----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 11:10:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [ 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 3.908524760004244 -6.190973065000000 0.000000000000000 b 3.908524760004244 6.190973065000000 0.000000000000000 c -3.773271185352943 0.000000000000000 9.706611670687103 Atomic positions (fractional): *1 K 0.81420782233916 0.18579217766084 0.75000000000000 39.098 2 K 0.18579217766084 0.81420782233916 0.25000000000000 39.098 *3 Ho 0.88071201074386 0.11928798925614 0.25000000000000 164.930 4 Ho 0.11928798925614 0.88071201074386 0.75000000000000 164.930 *5 P 0.74635254788469 0.69671116235164 0.94195796143044 30.974 6 P 0.69671116235164 0.74635254788469 0.44195796143044 30.974 7 P 0.30328883764836 0.25364745211531 0.55804203856956 30.974 *8 P 0.62667449913414 0.28487690391647 0.00502929282415 30.974 9 P 0.71512309608353 0.37332550086585 0.49497070717585 30.974 10 P 0.37332550086586 0.71512309608353 0.99497070717585 30.974 11 P 0.28487690391647 0.62667449913414 0.50502929282415 30.974 12 P 0.25364745211531 0.30328883764836 0.05804203856956 30.974 *13 O 0.53013378079844 0.26915762640544 0.56339907817224 15.999 *14 O 0.86595227313801 0.84594224669402 0.08617022744602 15.999 *15 O 0.18330253198527 0.24868184855746 0.17648048450968 15.999 16 O 0.13404772686199 0.15405775330598 0.91382977255398 15.999 17 O 0.75131815144254 0.81669746801473 0.32351951549032 15.999 *18 O 0.48327453499466 0.08668389921157 0.88563774805558 15.999 19 O 0.84594224669402 0.86595227313801 0.58617022744602 15.999 *20 O 0.50063693299271 0.36148022346983 0.09151435537087 15.999 21 O 0.81669746801473 0.75131815144254 0.82351951549032 15.999 22 O 0.49936306700729 0.63851977653017 0.90848564462913 15.999 23 O 0.15405775330598 0.13404772686199 0.41382977255398 15.999 24 O 0.51672546500534 0.91331610078843 0.11436225194442 15.999 25 O 0.08668389921157 0.48327453499466 0.38563774805558 15.999 *26 O 0.29719885524639 0.81176002496113 0.60524123934276 15.999 27 O 0.73084237359456 0.46986621920156 0.93660092182776 15.999 28 O 0.70280114475361 0.18823997503887 0.39475876065724 15.999 29 O 0.46986621920156 0.73084237359456 0.43660092182776 15.999 30 O 0.81176002496113 0.29719885524639 0.10524123934276 15.999 31 O 0.18823997503887 0.70280114475361 0.89475876065724 15.999 32 O 0.26915762640544 0.53013378079844 0.06339907817224 15.999 33 O 0.36148022346983 0.50063693299271 0.59151435537087 15.999 34 O 0.63851977653017 0.49936306700729 0.40848564462913 15.999 35 O 0.91331610078843 0.51672546500534 0.61436225194442 15.999 36 O 0.24868184855746 0.18330253198527 0.67648048450968 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.817049520008489 0.000000000000000 0.000000000000000 b 0.000000000000000 12.381946129999999 0.000000000000000 c -3.773271185352943 0.000000000000000 9.706611670687103 Atomic positions (fractional): *1 K 0.50000000000000 0.68579217766084 0.75000000000000 39.098 > 1 2 K 0.50000000000000 0.31420782233916 0.25000000000000 39.098 > 2 3 K 0.00000000000000 0.18579217766084 0.75000000000000 39.098 > 1 4 K 0.00000000000000 0.81420782233916 0.25000000000000 39.098 > 2 *5 Ho 0.50000000000000 0.61928798925614 0.25000000000000 164.930 > 3 6 Ho 0.50000000000000 0.38071201074386 0.75000000000000 164.930 > 4 7 Ho 0.00000000000000 0.11928798925614 0.25000000000000 164.930 > 3 8 Ho 0.00000000000000 0.88071201074386 0.75000000000000 164.930 > 4 *9 P 0.72153185511816 0.97517930723348 0.94195796143044 30.974 > 5 10 P 0.72153185511816 0.02482069276652 0.44195796143044 30.974 > 6 11 P 0.27846814488184 0.97517930723348 0.55804203856956 30.974 > 7 *12 P 0.45577570152531 0.82910120239116 0.00502929282415 30.974 > 8 13 P 0.54422429847469 0.82910120239116 0.49497070717585 30.974 > 9 14 P 0.54422429847469 0.17089879760884 0.99497070717585 30.974 > 10 15 P 0.45577570152531 0.17089879760884 0.50502929282415 30.974 > 11 16 P 0.27846814488184 0.02482069276652 0.05804203856956 30.974 > 12 17 P 0.22153185511817 0.47517930723348 0.94195796143044 30.974 > 5 18 P 0.22153185511817 0.52482069276652 0.44195796143044 30.974 > 6 19 P 0.77846814488184 0.47517930723348 0.55804203856956 30.974 > 7 20 P 0.95577570152531 0.32910120239116 0.00502929282415 30.974 > 8 21 P 0.04422429847469 0.32910120239116 0.49497070717585 30.974 > 9 22 P 0.04422429847469 0.67089879760884 0.99497070717585 30.974 > 10 23 P 0.95577570152531 0.67089879760884 0.50502929282415 30.974 > 11 24 P 0.77846814488184 0.52482069276652 0.05804203856956 30.974 > 12 *25 O 0.39964570360194 0.86951192280350 0.56339907817224 15.999 > 13 *26 O 0.85594725991601 0.98999498677801 0.08617022744602 15.999 > 14 *27 O 0.21599219027136 0.03268965828610 0.17648048450968 15.999 > 15 28 O 0.14405274008399 0.01000501322200 0.91382977255398 15.999 > 16 29 O 0.78400780972864 0.03268965828610 0.32351951549032 15.999 > 17 *30 O 0.28497921710311 0.80170468210846 0.88563774805558 15.999 > 18 31 O 0.85594725991601 0.01000501322200 0.58617022744602 15.999 > 19 *32 O 0.43105857823127 0.93042164523856 0.09151435537087 15.999 > 20 33 O 0.78400780972864 0.96731034171390 0.82351951549032 15.999 > 21 34 O 0.56894142176873 0.06957835476144 0.90848564462913 15.999 > 22 35 O 0.14405274008399 0.98999498677801 0.41382977255398 15.999 > 23 36 O 0.71502078289689 0.19829531789155 0.11436225194442 15.999 > 24 37 O 0.28497921710311 0.19829531789155 0.38563774805558 15.999 > 25 *38 O 0.55447944010376 0.25728058485737 0.60524123934276 15.999 > 26 39 O 0.60035429639806 0.86951192280350 0.93660092182776 15.999 > 27 40 O 0.44552055989624 0.74271941514263 0.39475876065724 15.999 > 28 41 O 0.60035429639806 0.13048807719650 0.43660092182776 15.999 > 29 42 O 0.55447944010376 0.74271941514263 0.10524123934276 15.999 > 30 43 O 0.44552055989624 0.25728058485737 0.89475876065724 15.999 > 31 44 O 0.39964570360194 0.13048807719650 0.06339907817224 15.999 > 32 45 O 0.43105857823127 0.06957835476144 0.59151435537087 15.999 > 33 46 O 0.56894142176873 0.93042164523856 0.40848564462913 15.999 > 34 47 O 0.71502078289689 0.80170468210846 0.61436225194442 15.999 > 35 48 O 0.21599219027136 0.96731034171390 0.67648048450968 15.999 > 36 49 O 0.89964570360194 0.36951192280350 0.56339907817224 15.999 > 13 50 O 0.35594725991601 0.48999498677801 0.08617022744602 15.999 > 14 51 O 0.71599219027136 0.53268965828610 0.17648048450968 15.999 > 15 52 O 0.64405274008399 0.51000501322199 0.91382977255398 15.999 > 16 53 O 0.28400780972863 0.53268965828610 0.32351951549032 15.999 > 17 54 O 0.78497921710311 0.30170468210846 0.88563774805558 15.999 > 18 55 O 0.35594725991601 0.51000501322199 0.58617022744602 15.999 > 19 56 O 0.93105857823127 0.43042164523856 0.09151435537087 15.999 > 20 57 O 0.28400780972863 0.46731034171390 0.82351951549032 15.999 > 21 58 O 0.06894142176873 0.56957835476144 0.90848564462913 15.999 > 22 59 O 0.64405274008399 0.48999498677801 0.41382977255398 15.999 > 23 60 O 0.21502078289689 0.69829531789154 0.11436225194442 15.999 > 24 61 O 0.78497921710311 0.69829531789154 0.38563774805558 15.999 > 25 62 O 0.05447944010376 0.75728058485737 0.60524123934276 15.999 > 26 63 O 0.10035429639806 0.36951192280350 0.93660092182776 15.999 > 27 64 O 0.94552055989624 0.24271941514263 0.39475876065724 15.999 > 28 65 O 0.10035429639806 0.63048807719650 0.43660092182776 15.999 > 29 66 O 0.05447944010376 0.24271941514263 0.10524123934276 15.999 > 30 67 O 0.94552055989624 0.75728058485737 0.89475876065724 15.999 > 31 68 O 0.89964570360194 0.63048807719650 0.06339907817224 15.999 > 32 69 O 0.93105857823127 0.56957835476144 0.59151435537087 15.999 > 33 70 O 0.06894142176873 0.43042164523856 0.40848564462913 15.999 > 34 71 O 0.21502078289689 0.30170468210846 0.61436225194442 15.999 > 35 72 O 0.71599219027136 0.46731034171390 0.67648048450968 15.999 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.634099040016977 0.000000000000000 0.000000000000000 b 0.000000000000000 12.381946129999999 0.000000000000000 c -3.773271185352943 0.000000000000000 9.706611670687103 Atomic positions (fractional): *1 K 0.25000000000000 0.68579217766084 0.75000000000000 39.098 > 1 2 K 0.75000000000000 0.68579217766084 0.75000000000000 39.098 > 1 3 K 0.25000000000000 0.31420782233916 0.25000000000000 39.098 > 2 4 K 0.75000000000000 0.31420782233916 0.25000000000000 39.098 > 2 5 K 0.00000000000000 0.18579217766084 0.75000000000000 39.098 > 1 6 K 0.50000000000000 0.18579217766084 0.75000000000000 39.098 > 1 7 K 0.00000000000000 0.81420782233916 0.25000000000000 39.098 > 2 8 K 0.50000000000000 0.81420782233916 0.25000000000000 39.098 > 2 *9 Ho 0.25000000000000 0.61928798925614 0.25000000000000 164.930 > 3 10 Ho 0.75000000000000 0.61928798925614 0.25000000000000 164.930 > 3 11 Ho 0.25000000000000 0.38071201074386 0.75000000000000 164.930 > 4 12 Ho 0.75000000000000 0.38071201074386 0.75000000000000 164.930 > 4 13 Ho 0.00000000000000 0.11928798925614 0.25000000000000 164.930 > 3 14 Ho 0.50000000000000 0.11928798925614 0.25000000000000 164.930 > 3 15 Ho 0.00000000000000 0.88071201074386 0.75000000000000 164.930 > 4 16 Ho 0.50000000000000 0.88071201074386 0.75000000000000 164.930 > 4 *17 P 0.36076592755908 0.97517930723348 0.94195796143044 30.974 > 5 18 P 0.86076592755908 0.97517930723348 0.94195796143044 30.974 > 5 19 P 0.36076592755908 0.02482069276652 0.44195796143044 30.974 > 6 20 P 0.86076592755908 0.02482069276652 0.44195796143044 30.974 > 6 21 P 0.13923407244092 0.97517930723348 0.55804203856956 30.974 > 7 22 P 0.63923407244092 0.97517930723348 0.55804203856956 30.974 > 7 *23 P 0.22788785076265 0.82910120239116 0.00502929282415 30.974 > 8 24 P 0.72788785076265 0.82910120239116 0.00502929282415 30.974 > 8 25 P 0.27211214923735 0.82910120239116 0.49497070717585 30.974 > 9 26 P 0.77211214923735 0.82910120239116 0.49497070717585 30.974 > 9 27 P 0.27211214923735 0.17089879760884 0.99497070717585 30.974 > 10 28 P 0.77211214923735 0.17089879760884 0.99497070717585 30.974 > 10 29 P 0.22788785076265 0.17089879760884 0.50502929282415 30.974 > 11 30 P 0.72788785076265 0.17089879760884 0.50502929282415 30.974 > 11 31 P 0.13923407244092 0.02482069276652 0.05804203856956 30.974 > 12 32 P 0.63923407244092 0.02482069276652 0.05804203856956 30.974 > 12 33 P 0.11076592755908 0.47517930723348 0.94195796143044 30.974 > 5 34 P 0.61076592755908 0.47517930723348 0.94195796143044 30.974 > 5 35 P 0.11076592755908 0.52482069276652 0.44195796143044 30.974 > 6 36 P 0.61076592755908 0.52482069276652 0.44195796143044 30.974 > 6 37 P 0.38923407244092 0.47517930723348 0.55804203856956 30.974 > 7 38 P 0.88923407244092 0.47517930723348 0.55804203856956 30.974 > 7 39 P 0.47788785076265 0.32910120239116 0.00502929282415 30.974 > 8 40 P 0.97788785076265 0.32910120239116 0.00502929282415 30.974 > 8 41 P 0.02211214923735 0.32910120239116 0.49497070717585 30.974 > 9 42 P 0.52211214923735 0.32910120239116 0.49497070717585 30.974 > 9 43 P 0.02211214923735 0.67089879760884 0.99497070717585 30.974 > 10 44 P 0.52211214923735 0.67089879760884 0.99497070717585 30.974 > 10 45 P 0.47788785076265 0.67089879760884 0.50502929282415 30.974 > 11 46 P 0.97788785076265 0.67089879760884 0.50502929282415 30.974 > 11 47 P 0.38923407244092 0.52482069276652 0.05804203856956 30.974 > 12 48 P 0.88923407244092 0.52482069276652 0.05804203856956 30.974 > 12 *49 O 0.19982285180097 0.86951192280350 0.56339907817224 15.999 > 13 50 O 0.69982285180097 0.86951192280350 0.56339907817224 15.999 > 13 *51 O 0.42797362995801 0.98999498677801 0.08617022744602 15.999 > 14 52 O 0.92797362995801 0.98999498677801 0.08617022744602 15.999 > 14 *53 O 0.10799609513568 0.03268965828610 0.17648048450968 15.999 > 15 54 O 0.60799609513568 0.03268965828610 0.17648048450968 15.999 > 15 55 O 0.07202637004199 0.01000501322200 0.91382977255398 15.999 > 16 56 O 0.57202637004199 0.01000501322200 0.91382977255398 15.999 > 16 57 O 0.39200390486432 0.03268965828610 0.32351951549032 15.999 > 17 58 O 0.89200390486432 0.03268965828610 0.32351951549032 15.999 > 17 *59 O 0.14248960855156 0.80170468210846 0.88563774805558 15.999 > 18 60 O 0.64248960855156 0.80170468210846 0.88563774805558 15.999 > 18 61 O 0.42797362995801 0.01000501322200 0.58617022744602 15.999 > 19 62 O 0.92797362995801 0.01000501322200 0.58617022744602 15.999 > 19 *63 O 0.21552928911563 0.93042164523856 0.09151435537087 15.999 > 20 64 O 0.71552928911563 0.93042164523856 0.09151435537087 15.999 > 20 65 O 0.39200390486432 0.96731034171390 0.82351951549032 15.999 > 21 66 O 0.89200390486432 0.96731034171390 0.82351951549032 15.999 > 21 67 O 0.28447071088437 0.06957835476144 0.90848564462913 15.999 > 22 68 O 0.78447071088437 0.06957835476144 0.90848564462913 15.999 > 22 69 O 0.07202637004199 0.98999498677801 0.41382977255398 15.999 > 23 70 O 0.57202637004199 0.98999498677801 0.41382977255398 15.999 > 23 71 O 0.35751039144844 0.19829531789155 0.11436225194442 15.999 > 24 72 O 0.85751039144844 0.19829531789155 0.11436225194442 15.999 > 24 73 O 0.14248960855156 0.19829531789155 0.38563774805558 15.999 > 25 74 O 0.64248960855156 0.19829531789155 0.38563774805558 15.999 > 25 *75 O 0.27723972005188 0.25728058485737 0.60524123934276 15.999 > 26 76 O 0.77723972005188 0.25728058485737 0.60524123934276 15.999 > 26 77 O 0.30017714819903 0.86951192280350 0.93660092182776 15.999 > 27 78 O 0.80017714819903 0.86951192280350 0.93660092182776 15.999 > 27 79 O 0.22276027994812 0.74271941514263 0.39475876065724 15.999 > 28 80 O 0.72276027994812 0.74271941514263 0.39475876065724 15.999 > 28 81 O 0.30017714819903 0.13048807719650 0.43660092182776 15.999 > 29 82 O 0.80017714819903 0.13048807719650 0.43660092182776 15.999 > 29 83 O 0.27723972005188 0.74271941514263 0.10524123934276 15.999 > 30 84 O 0.77723972005188 0.74271941514263 0.10524123934276 15.999 > 30 85 O 0.22276027994812 0.25728058485737 0.89475876065724 15.999 > 31 86 O 0.72276027994812 0.25728058485737 0.89475876065724 15.999 > 31 87 O 0.19982285180097 0.13048807719650 0.06339907817224 15.999 > 32 88 O 0.69982285180097 0.13048807719650 0.06339907817224 15.999 > 32 89 O 0.21552928911563 0.06957835476144 0.59151435537087 15.999 > 33 90 O 0.71552928911563 0.06957835476144 0.59151435537087 15.999 > 33 91 O 0.28447071088437 0.93042164523856 0.40848564462913 15.999 > 34 92 O 0.78447071088437 0.93042164523856 0.40848564462913 15.999 > 34 93 O 0.35751039144844 0.80170468210846 0.61436225194442 15.999 > 35 94 O 0.85751039144844 0.80170468210846 0.61436225194442 15.999 > 35 95 O 0.10799609513568 0.96731034171390 0.67648048450968 15.999 > 36 96 O 0.60799609513568 0.96731034171390 0.67648048450968 15.999 > 36 97 O 0.44982285180097 0.36951192280350 0.56339907817224 15.999 > 13 98 O 0.94982285180097 0.36951192280350 0.56339907817224 15.999 > 13 99 O 0.17797362995801 0.48999498677801 0.08617022744602 15.999 > 14 100 O 0.67797362995801 0.48999498677801 0.08617022744602 15.999 > 14 101 O 0.35799609513568 0.53268965828610 0.17648048450968 15.999 > 15 102 O 0.85799609513568 0.53268965828610 0.17648048450968 15.999 > 15 103 O 0.32202637004199 0.51000501322199 0.91382977255398 15.999 > 16 104 O 0.82202637004199 0.51000501322199 0.91382977255398 15.999 > 16 105 O 0.14200390486432 0.53268965828610 0.32351951549032 15.999 > 17 106 O 0.64200390486432 0.53268965828610 0.32351951549032 15.999 > 17 107 O 0.39248960855156 0.30170468210846 0.88563774805558 15.999 > 18 108 O 0.89248960855156 0.30170468210846 0.88563774805558 15.999 > 18 109 O 0.17797362995801 0.51000501322199 0.58617022744602 15.999 > 19 110 O 0.67797362995801 0.51000501322199 0.58617022744602 15.999 > 19 111 O 0.46552928911563 0.43042164523856 0.09151435537087 15.999 > 20 112 O 0.96552928911563 0.43042164523856 0.09151435537087 15.999 > 20 113 O 0.14200390486432 0.46731034171390 0.82351951549032 15.999 > 21 114 O 0.64200390486432 0.46731034171390 0.82351951549032 15.999 > 21 115 O 0.03447071088436 0.56957835476144 0.90848564462913 15.999 > 22 116 O 0.53447071088437 0.56957835476144 0.90848564462913 15.999 > 22 117 O 0.32202637004199 0.48999498677801 0.41382977255398 15.999 > 23 118 O 0.82202637004199 0.48999498677801 0.41382977255398 15.999 > 23 119 O 0.10751039144844 0.69829531789154 0.11436225194442 15.999 > 24 120 O 0.60751039144844 0.69829531789154 0.11436225194442 15.999 > 24 121 O 0.39248960855156 0.69829531789154 0.38563774805558 15.999 > 25 122 O 0.89248960855156 0.69829531789154 0.38563774805558 15.999 > 25 123 O 0.02723972005188 0.75728058485737 0.60524123934276 15.999 > 26 124 O 0.52723972005188 0.75728058485737 0.60524123934276 15.999 > 26 125 O 0.05017714819903 0.36951192280350 0.93660092182776 15.999 > 27 126 O 0.55017714819903 0.36951192280350 0.93660092182776 15.999 > 27 127 O 0.47276027994812 0.24271941514263 0.39475876065724 15.999 > 28 128 O 0.97276027994812 0.24271941514263 0.39475876065724 15.999 > 28 129 O 0.05017714819903 0.63048807719650 0.43660092182776 15.999 > 29 130 O 0.55017714819903 0.63048807719650 0.43660092182776 15.999 > 29 131 O 0.02723972005188 0.24271941514263 0.10524123934276 15.999 > 30 132 O 0.52723972005188 0.24271941514263 0.10524123934276 15.999 > 30 133 O 0.47276027994812 0.75728058485737 0.89475876065724 15.999 > 31 134 O 0.97276027994812 0.75728058485737 0.89475876065724 15.999 > 31 135 O 0.44982285180097 0.63048807719650 0.06339907817224 15.999 > 32 136 O 0.94982285180097 0.63048807719650 0.06339907817224 15.999 > 32 137 O 0.46552928911563 0.56957835476144 0.59151435537087 15.999 > 33 138 O 0.96552928911563 0.56957835476144 0.59151435537087 15.999 > 33 139 O 0.03447071088436 0.43042164523856 0.40848564462913 15.999 > 34 140 O 0.53447071088437 0.43042164523856 0.40848564462913 15.999 > 34 141 O 0.10751039144844 0.30170468210846 0.61436225194442 15.999 > 35 142 O 0.60751039144844 0.30170468210846 0.61436225194442 15.999 > 35 143 O 0.35799609513568 0.46731034171390 0.67648048450968 15.999 > 36 144 O 0.85799609513568 0.46731034171390 0.67648048450968 15.999 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7594208 0.0000000 -0.0107238 0.0000000 2.7338025 0.0000000 -0.0107227 0.0000000 2.7309531 -------------------------- Born effective charges -------------------------- 1 K 1.2025494 0.0000000 0.0094992 -0.0000000 1.3682746 0.0000000 -0.0232632 -0.0000000 1.2421237 2 K 1.2025494 0.0000000 0.0094992 -0.0000000 1.3682746 0.0000000 -0.0232632 -0.0000000 1.2421237 3 Ho 4.1474427 0.0000000 0.3490727 -0.0000000 3.8169761 0.0000000 -0.1743557 -0.0000000 4.5526035 4 Ho 4.1474427 0.0000000 0.3490727 -0.0000000 3.8169761 0.0000000 -0.1743557 -0.0000000 4.5526035 5 P 3.8125198 0.3409160 -0.0910083 -0.2516967 3.4959644 0.3712826 -0.2707778 0.1886906 3.2505371 6 P 3.8125198 -0.3409160 -0.0910083 0.2516967 3.4959644 -0.3712826 -0.2707778 -0.1886906 3.2505371 7 P 3.8125198 -0.3409160 -0.0910083 0.2516967 3.4959644 -0.3712826 -0.2707778 -0.1886906 3.2505371 8 P 3.6170204 0.1037676 -0.2814532 0.3273957 3.8680439 -0.2885822 0.3327253 -0.2496143 3.0936329 9 P 3.6170204 -0.1037676 -0.2814532 -0.3273957 3.8680439 0.2885822 0.3327253 0.2496143 3.0936329 10 P 3.6170204 0.1037676 -0.2814532 0.3273957 3.8680439 -0.2885822 0.3327253 -0.2496143 3.0936329 11 P 3.6170204 -0.1037676 -0.2814532 -0.3273957 3.8680439 0.2885822 0.3327253 0.2496143 3.0936329 12 P 3.8125198 0.3409160 -0.0910083 -0.2516967 3.4959644 0.3712826 -0.2707778 0.1886906 3.2505371 13 O -2.4326000 1.1109817 0.4539756 1.0485478 -1.9359307 -0.1431489 0.3024150 -0.1088928 -1.0140561 14 O -1.2854672 -0.2112065 -0.5430047 -0.0845771 -1.3608098 -0.4541038 -0.3038171 -0.4346525 -2.1290738 15 O -1.9345662 0.2701858 0.7128454 0.3420736 -1.0984061 -0.2528666 0.6606879 -0.2268145 -1.6378249 16 O -1.2854672 -0.2112065 -0.5430047 -0.0845771 -1.3608098 -0.4541038 -0.3038171 -0.4346525 -2.1290738 17 O -1.9345662 -0.2701858 0.7128454 -0.3420736 -1.0984061 0.2528666 0.6606879 0.2268145 -1.6378249 18 O -1.6892027 -0.0018515 -0.5793466 -0.1198978 -1.2225536 -0.0494892 -0.6472478 0.1086270 -1.7173745 19 O -1.2854672 0.2112065 -0.5430047 0.0845771 -1.3608098 0.4541038 -0.3038171 0.4346525 -2.1290738 20 O -1.5479653 0.8934674 0.1205652 0.9352737 -2.3538235 -0.3448106 0.0607467 -0.2932639 -1.0607973 21 O -1.9345662 0.2701858 0.7128454 0.3420736 -1.0984061 -0.2528666 0.6606879 -0.2268145 -1.6378249 22 O -1.5479653 0.8934674 0.1205652 0.9352737 -2.3538235 -0.3448106 0.0607467 -0.2932639 -1.0607973 23 O -1.2854672 0.2112065 -0.5430047 0.0845771 -1.3608098 0.4541038 -0.3038171 0.4346525 -2.1290738 24 O -1.6892027 -0.0018515 -0.5793466 -0.1198978 -1.2225536 -0.0494892 -0.6472478 0.1086270 -1.7173745 25 O -1.6892027 0.0018515 -0.5793466 0.1198978 -1.2225536 0.0494892 -0.6472478 -0.1086270 -1.7173745 26 O -1.2147348 0.0763657 0.0281406 0.0700631 -1.9851100 -0.9348904 -0.0359228 -0.7879424 -1.6824070 27 O -2.4326000 -1.1109817 0.4539756 -1.0485478 -1.9359307 0.1431489 0.3024150 0.1088928 -1.0140561 28 O -1.2147348 0.0763657 0.0281406 0.0700631 -1.9851100 -0.9348904 -0.0359228 -0.7879424 -1.6824070 29 O -2.4326000 1.1109817 0.4539756 1.0485478 -1.9359307 -0.1431489 0.3024150 -0.1088928 -1.0140561 30 O -1.2147348 -0.0763657 0.0281406 -0.0700631 -1.9851100 0.9348904 -0.0359228 0.7879424 -1.6824070 31 O -1.2147348 -0.0763657 0.0281406 -0.0700631 -1.9851100 0.9348904 -0.0359228 0.7879424 -1.6824070 32 O -2.4326000 -1.1109817 0.4539756 -1.0485478 -1.9359307 0.1431489 0.3024150 0.1088928 -1.0140561 33 O -1.5479653 -0.8934674 0.1205652 -0.9352737 -2.3538235 0.3448106 0.0607467 0.2932639 -1.0607973 34 O -1.5479653 -0.8934674 0.1205652 -0.9352737 -2.3538235 0.3448106 0.0607467 0.2932639 -1.0607973 35 O -1.6892027 0.0018515 -0.5793466 0.1198978 -1.2225536 0.0494892 -0.6472478 -0.1086270 -1.7173745 36 O -1.9345662 -0.2701858 0.7128454 -0.3420736 -1.0984061 0.2528666 0.6606879 0.2268145 -1.6378249 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 29268/29268 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5998 Number of blocks in projector: 5998 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: 1304 Use submatrix version of eigh solver. (1) Block: 500 / 1304 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1000 / 1304 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1304 / 1304 (1) 295 eigenvectors found. (1) Complementary block size: 43 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1288 Use submatrix version of eigh solver. (1) Block: 500 / 1288 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1000 / 1288 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1288 / 1288 (1) 274 eigenvectors found. (1) Complementary block size: 44 (1) Compute compressed projector. (1) Use standard solver. (1) 28 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1288 Use submatrix version of eigh solver. (1) Block: 500 / 1288 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1000 / 1288 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1288 / 1288 (1) 274 eigenvectors found. (1) Complementary block size: 44 (1) Compute compressed projector. (1) Use standard solver. (1) 28 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 706 Use submatrix version of eigh solver. (1) Block: 500 / 706 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 706 / 706 (1) 198 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 706 Use submatrix version of eigh solver. (1) Block: 500 / 706 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 706 / 706 (1) 198 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 706 Use submatrix version of eigh solver. (1) Block: 500 / 706 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 706 / 706 (1) 198 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. Tree of FC basis block matrices: - (5998, 5917), data: False |-- (706, 696), data: False |-- (706, 8), data: (706, 18) @ (18, 8) |-- (206, 198), data: True |-- (500, 490), data: False |-- (500, 8), data: (500, 18) @ (18, 8) |-- (250, 242), data: True |-- (250, 240), data: True |-- (706, 696), data: False |-- (706, 8), data: (706, 18) @ (18, 8) |-- (206, 198), data: True |-- (500, 490), data: False |-- (500, 8), data: (500, 18) @ (18, 8) |-- (250, 242), data: True |-- (250, 240), data: True |-- (706, 696), data: False |-- (706, 8), data: (706, 18) @ (18, 8) |-- (206, 198), data: True |-- (500, 490), data: False |-- (500, 8), data: (500, 18) @ (18, 8) |-- (250, 242), data: True |-- (250, 240), data: True |-- (1288, 1272), data: False |-- (1288, 28), data: (1288, 44) @ (44, 28) |-- (288, 274), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (1288, 1272), data: False |-- (1288, 28), data: (1288, 44) @ (44, 28) |-- (288, 274), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (1304, 1285), data: False |-- (1304, 24), data: (1304, 43) @ (43, 24) |-- (304, 295), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 1120 - Time: 2.977 Solver_block: 200 / 1120 - Time: 2.013 Solver_block: 300 / 1120 - Time: 2.026 Solver_block: 400 / 1120 - Time: 2.050 Solver_block: 500 / 1120 - Time: 1.995 Solver_block: 600 / 1120 - Time: 2.549 Solver_block: 700 / 1120 - Time: 4.800 Solver_block: 800 / 1120 - Time: 3.139 Solver_block: 900 / 1120 - Time: 2.940 Solver_block: 1000 / 1120 - Time: 4.696 Solver_block: 1100 / 1120 - Time: 2.884 Solver_block: 1120 / 1120 - Time: 0.671 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 33.822 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 432/432 Permutation basis: 29268/29268 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5998 Number of blocks in projector: 5998 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: 1304 Use submatrix version of eigh solver. (1) Block: 500 / 1304 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1000 / 1304 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1304 / 1304 (1) 295 eigenvectors found. (1) Complementary block size: 43 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1288 Use submatrix version of eigh solver. (1) Block: 500 / 1288 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1000 / 1288 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1288 / 1288 (1) 274 eigenvectors found. (1) Complementary block size: 44 (1) Compute compressed projector. (1) Use standard solver. (1) 28 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1288 Use submatrix version of eigh solver. (1) Block: 500 / 1288 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1000 / 1288 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1288 / 1288 (1) 274 eigenvectors found. (1) Complementary block size: 44 (1) Compute compressed projector. (1) Use standard solver. (1) 28 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 706 Use submatrix version of eigh solver. (1) Block: 500 / 706 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 706 / 706 (1) 198 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 706 Use submatrix version of eigh solver. (1) Block: 500 / 706 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 706 / 706 (1) 198 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 706 Use submatrix version of eigh solver. (1) Block: 500 / 706 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 706 / 706 (1) 198 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. Tree of FC basis block matrices: - (5998, 5917), data: False |-- (706, 696), data: False |-- (706, 8), data: (706, 18) @ (18, 8) |-- (206, 198), data: True |-- (500, 490), data: False |-- (500, 8), data: (500, 18) @ (18, 8) |-- (250, 242), data: True |-- (250, 240), data: True |-- (706, 696), data: False |-- (706, 8), data: (706, 18) @ (18, 8) |-- (206, 198), data: True |-- (500, 490), data: False |-- (500, 8), data: (500, 18) @ (18, 8) |-- (250, 242), data: True |-- (250, 240), data: True |-- (706, 696), data: False |-- (706, 8), data: (706, 18) @ (18, 8) |-- (206, 198), data: True |-- (500, 490), data: False |-- (500, 8), data: (500, 18) @ (18, 8) |-- (250, 242), data: True |-- (250, 240), data: True |-- (1288, 1272), data: False |-- (1288, 28), data: (1288, 44) @ (44, 28) |-- (288, 274), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (1288, 1272), data: False |-- (1288, 28), data: (1288, 44) @ (44, 28) |-- (288, 274), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (1304, 1285), data: False |-- (1304, 24), data: (1304, 43) @ (43, 24) |-- (304, 295), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 11:12:18]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 11:12:19]------------------------- 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 3.908524760004244 -6.190973065000000 0.000000000000000 b 3.908524760004244 6.190973065000000 0.000000000000000 c -3.773271185352943 0.000000000000000 9.706611670687103 Atomic positions (fractional): 1 K 0.81420782233916 0.18579217766084 0.75000000000000 39.098 2 K 0.18579217766084 0.81420782233916 0.25000000000000 39.098 3 Ho 0.88071201074386 0.11928798925614 0.25000000000000 164.930 4 Ho 0.11928798925614 0.88071201074386 0.75000000000000 164.930 5 P 0.74635254788469 0.69671116235164 0.94195796143044 30.974 6 P 0.69671116235164 0.74635254788469 0.44195796143044 30.974 7 P 0.30328883764836 0.25364745211531 0.55804203856956 30.974 8 P 0.62667449913414 0.28487690391647 0.00502929282415 30.974 9 P 0.71512309608353 0.37332550086585 0.49497070717585 30.974 10 P 0.37332550086586 0.71512309608353 0.99497070717585 30.974 11 P 0.28487690391647 0.62667449913414 0.50502929282415 30.974 12 P 0.25364745211531 0.30328883764836 0.05804203856956 30.974 13 O 0.53013378079844 0.26915762640544 0.56339907817224 15.999 14 O 0.86595227313801 0.84594224669402 0.08617022744602 15.999 15 O 0.18330253198527 0.24868184855746 0.17648048450968 15.999 16 O 0.13404772686199 0.15405775330598 0.91382977255398 15.999 17 O 0.75131815144254 0.81669746801473 0.32351951549032 15.999 18 O 0.48327453499466 0.08668389921157 0.88563774805558 15.999 19 O 0.84594224669402 0.86595227313801 0.58617022744602 15.999 20 O 0.50063693299271 0.36148022346983 0.09151435537087 15.999 21 O 0.81669746801473 0.75131815144254 0.82351951549032 15.999 22 O 0.49936306700729 0.63851977653017 0.90848564462913 15.999 23 O 0.15405775330598 0.13404772686199 0.41382977255398 15.999 24 O 0.51672546500534 0.91331610078843 0.11436225194442 15.999 25 O 0.08668389921157 0.48327453499466 0.38563774805558 15.999 26 O 0.29719885524639 0.81176002496113 0.60524123934276 15.999 27 O 0.73084237359456 0.46986621920156 0.93660092182776 15.999 28 O 0.70280114475361 0.18823997503887 0.39475876065724 15.999 29 O 0.46986621920156 0.73084237359456 0.43660092182776 15.999 30 O 0.81176002496113 0.29719885524639 0.10524123934276 15.999 31 O 0.18823997503887 0.70280114475361 0.89475876065724 15.999 32 O 0.26915762640544 0.53013378079844 0.06339907817224 15.999 33 O 0.36148022346983 0.50063693299271 0.59151435537087 15.999 34 O 0.63851977653017 0.49936306700729 0.40848564462913 15.999 35 O 0.91331610078843 0.51672546500534 0.61436225194442 15.999 36 O 0.24868184855746 0.18330253198527 0.67648048450968 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.634099040016977 0.000000000000000 0.000000000000000 b 0.000000000000000 12.381946129999999 0.000000000000000 c -3.773271185352943 0.000000000000000 9.706611670687103 Atomic positions (fractional): 1 K 0.25000000000000 0.68579217766084 0.75000000000000 39.098 > 1 2 K 0.75000000000000 0.68579217766084 0.75000000000000 39.098 > 1 3 K 0.25000000000000 0.31420782233916 0.25000000000000 39.098 > 3 4 K 0.75000000000000 0.31420782233916 0.25000000000000 39.098 > 3 5 K 0.00000000000000 0.18579217766084 0.75000000000000 39.098 > 1 6 K 0.50000000000000 0.18579217766084 0.75000000000000 39.098 > 1 7 K 0.00000000000000 0.81420782233916 0.25000000000000 39.098 > 3 8 K 0.50000000000000 0.81420782233916 0.25000000000000 39.098 > 3 9 Ho 0.25000000000000 0.61928798925614 0.25000000000000 164.930 > 9 10 Ho 0.75000000000000 0.61928798925614 0.25000000000000 164.930 > 9 11 Ho 0.25000000000000 0.38071201074386 0.75000000000000 164.930 > 11 12 Ho 0.75000000000000 0.38071201074386 0.75000000000000 164.930 > 11 13 Ho 0.00000000000000 0.11928798925614 0.25000000000000 164.930 > 9 14 Ho 0.50000000000000 0.11928798925614 0.25000000000000 164.930 > 9 15 Ho 0.00000000000000 0.88071201074386 0.75000000000000 164.930 > 11 16 Ho 0.50000000000000 0.88071201074386 0.75000000000000 164.930 > 11 17 P 0.36076592755908 0.97517930723348 0.94195796143044 30.974 > 17 18 P 0.86076592755908 0.97517930723348 0.94195796143044 30.974 > 17 19 P 0.36076592755908 0.02482069276652 0.44195796143044 30.974 > 19 20 P 0.86076592755908 0.02482069276652 0.44195796143044 30.974 > 19 21 P 0.13923407244092 0.97517930723348 0.55804203856956 30.974 > 21 22 P 0.63923407244092 0.97517930723348 0.55804203856956 30.974 > 21 23 P 0.22788785076265 0.82910120239116 0.00502929282415 30.974 > 23 24 P 0.72788785076265 0.82910120239116 0.00502929282415 30.974 > 23 25 P 0.27211214923735 0.82910120239116 0.49497070717585 30.974 > 25 26 P 0.77211214923735 0.82910120239116 0.49497070717585 30.974 > 25 27 P 0.27211214923735 0.17089879760884 0.99497070717585 30.974 > 27 28 P 0.77211214923735 0.17089879760884 0.99497070717585 30.974 > 27 29 P 0.22788785076265 0.17089879760884 0.50502929282415 30.974 > 29 30 P 0.72788785076265 0.17089879760884 0.50502929282415 30.974 > 29 31 P 0.13923407244092 0.02482069276652 0.05804203856956 30.974 > 31 32 P 0.63923407244092 0.02482069276652 0.05804203856956 30.974 > 31 33 P 0.11076592755908 0.47517930723348 0.94195796143044 30.974 > 17 34 P 0.61076592755908 0.47517930723348 0.94195796143044 30.974 > 17 35 P 0.11076592755908 0.52482069276652 0.44195796143044 30.974 > 19 36 P 0.61076592755908 0.52482069276652 0.44195796143044 30.974 > 19 37 P 0.38923407244092 0.47517930723348 0.55804203856956 30.974 > 21 38 P 0.88923407244092 0.47517930723348 0.55804203856956 30.974 > 21 39 P 0.47788785076265 0.32910120239116 0.00502929282415 30.974 > 23 40 P 0.97788785076265 0.32910120239116 0.00502929282415 30.974 > 23 41 P 0.02211214923735 0.32910120239116 0.49497070717585 30.974 > 25 42 P 0.52211214923735 0.32910120239116 0.49497070717585 30.974 > 25 43 P 0.02211214923735 0.67089879760884 0.99497070717585 30.974 > 27 44 P 0.52211214923735 0.67089879760884 0.99497070717585 30.974 > 27 45 P 0.47788785076265 0.67089879760884 0.50502929282415 30.974 > 29 46 P 0.97788785076265 0.67089879760884 0.50502929282415 30.974 > 29 47 P 0.38923407244092 0.52482069276652 0.05804203856956 30.974 > 31 48 P 0.88923407244092 0.52482069276652 0.05804203856956 30.974 > 31 49 O 0.19982285180097 0.86951192280350 0.56339907817224 15.999 > 49 50 O 0.69982285180097 0.86951192280350 0.56339907817224 15.999 > 49 51 O 0.42797362995801 0.98999498677801 0.08617022744602 15.999 > 51 52 O 0.92797362995801 0.98999498677801 0.08617022744602 15.999 > 51 53 O 0.10799609513568 0.03268965828610 0.17648048450968 15.999 > 53 54 O 0.60799609513568 0.03268965828610 0.17648048450968 15.999 > 53 55 O 0.07202637004199 0.01000501322200 0.91382977255398 15.999 > 55 56 O 0.57202637004199 0.01000501322200 0.91382977255398 15.999 > 55 57 O 0.39200390486432 0.03268965828610 0.32351951549032 15.999 > 57 58 O 0.89200390486432 0.03268965828610 0.32351951549032 15.999 > 57 59 O 0.14248960855156 0.80170468210846 0.88563774805558 15.999 > 59 60 O 0.64248960855156 0.80170468210846 0.88563774805558 15.999 > 59 61 O 0.42797362995801 0.01000501322200 0.58617022744602 15.999 > 61 62 O 0.92797362995801 0.01000501322200 0.58617022744602 15.999 > 61 63 O 0.21552928911563 0.93042164523856 0.09151435537087 15.999 > 63 64 O 0.71552928911563 0.93042164523856 0.09151435537087 15.999 > 63 65 O 0.39200390486432 0.96731034171390 0.82351951549032 15.999 > 65 66 O 0.89200390486432 0.96731034171390 0.82351951549032 15.999 > 65 67 O 0.28447071088437 0.06957835476144 0.90848564462913 15.999 > 67 68 O 0.78447071088437 0.06957835476144 0.90848564462913 15.999 > 67 69 O 0.07202637004199 0.98999498677801 0.41382977255398 15.999 > 69 70 O 0.57202637004199 0.98999498677801 0.41382977255398 15.999 > 69 71 O 0.35751039144844 0.19829531789155 0.11436225194442 15.999 > 71 72 O 0.85751039144844 0.19829531789155 0.11436225194442 15.999 > 71 73 O 0.14248960855156 0.19829531789155 0.38563774805558 15.999 > 73 74 O 0.64248960855156 0.19829531789155 0.38563774805558 15.999 > 73 75 O 0.27723972005188 0.25728058485737 0.60524123934276 15.999 > 75 76 O 0.77723972005188 0.25728058485737 0.60524123934276 15.999 > 75 77 O 0.30017714819903 0.86951192280350 0.93660092182776 15.999 > 77 78 O 0.80017714819903 0.86951192280350 0.93660092182776 15.999 > 77 79 O 0.22276027994812 0.74271941514263 0.39475876065724 15.999 > 79 80 O 0.72276027994812 0.74271941514263 0.39475876065724 15.999 > 79 81 O 0.30017714819903 0.13048807719650 0.43660092182776 15.999 > 81 82 O 0.80017714819903 0.13048807719650 0.43660092182776 15.999 > 81 83 O 0.27723972005188 0.74271941514263 0.10524123934276 15.999 > 83 84 O 0.77723972005188 0.74271941514263 0.10524123934276 15.999 > 83 85 O 0.22276027994812 0.25728058485737 0.89475876065724 15.999 > 85 86 O 0.72276027994812 0.25728058485737 0.89475876065724 15.999 > 85 87 O 0.19982285180097 0.13048807719650 0.06339907817224 15.999 > 87 88 O 0.69982285180097 0.13048807719650 0.06339907817224 15.999 > 87 89 O 0.21552928911563 0.06957835476144 0.59151435537087 15.999 > 89 90 O 0.71552928911563 0.06957835476144 0.59151435537087 15.999 > 89 91 O 0.28447071088437 0.93042164523856 0.40848564462913 15.999 > 91 92 O 0.78447071088437 0.93042164523856 0.40848564462913 15.999 > 91 93 O 0.35751039144844 0.80170468210846 0.61436225194442 15.999 > 93 94 O 0.85751039144844 0.80170468210846 0.61436225194442 15.999 > 93 95 O 0.10799609513568 0.96731034171390 0.67648048450968 15.999 > 95 96 O 0.60799609513568 0.96731034171390 0.67648048450968 15.999 > 95 97 O 0.44982285180097 0.36951192280350 0.56339907817224 15.999 > 49 98 O 0.94982285180097 0.36951192280350 0.56339907817224 15.999 > 49 99 O 0.17797362995801 0.48999498677801 0.08617022744602 15.999 > 51 100 O 0.67797362995801 0.48999498677801 0.08617022744602 15.999 > 51 101 O 0.35799609513568 0.53268965828610 0.17648048450968 15.999 > 53 102 O 0.85799609513568 0.53268965828610 0.17648048450968 15.999 > 53 103 O 0.32202637004199 0.51000501322199 0.91382977255398 15.999 > 55 104 O 0.82202637004199 0.51000501322199 0.91382977255398 15.999 > 55 105 O 0.14200390486432 0.53268965828610 0.32351951549032 15.999 > 57 106 O 0.64200390486432 0.53268965828610 0.32351951549032 15.999 > 57 107 O 0.39248960855156 0.30170468210846 0.88563774805558 15.999 > 59 108 O 0.89248960855156 0.30170468210846 0.88563774805558 15.999 > 59 109 O 0.17797362995801 0.51000501322199 0.58617022744602 15.999 > 61 110 O 0.67797362995801 0.51000501322199 0.58617022744602 15.999 > 61 111 O 0.46552928911563 0.43042164523856 0.09151435537087 15.999 > 63 112 O 0.96552928911563 0.43042164523856 0.09151435537087 15.999 > 63 113 O 0.14200390486432 0.46731034171390 0.82351951549032 15.999 > 65 114 O 0.64200390486432 0.46731034171390 0.82351951549032 15.999 > 65 115 O 0.03447071088436 0.56957835476144 0.90848564462913 15.999 > 67 116 O 0.53447071088437 0.56957835476144 0.90848564462913 15.999 > 67 117 O 0.32202637004199 0.48999498677801 0.41382977255398 15.999 > 69 118 O 0.82202637004199 0.48999498677801 0.41382977255398 15.999 > 69 119 O 0.10751039144844 0.69829531789154 0.11436225194442 15.999 > 71 120 O 0.60751039144844 0.69829531789154 0.11436225194442 15.999 > 71 121 O 0.39248960855156 0.69829531789154 0.38563774805558 15.999 > 73 122 O 0.89248960855156 0.69829531789154 0.38563774805558 15.999 > 73 123 O 0.02723972005188 0.75728058485737 0.60524123934276 15.999 > 75 124 O 0.52723972005188 0.75728058485737 0.60524123934276 15.999 > 75 125 O 0.05017714819903 0.36951192280350 0.93660092182776 15.999 > 77 126 O 0.55017714819903 0.36951192280350 0.93660092182776 15.999 > 77 127 O 0.47276027994812 0.24271941514263 0.39475876065724 15.999 > 79 128 O 0.97276027994812 0.24271941514263 0.39475876065724 15.999 > 79 129 O 0.05017714819903 0.63048807719650 0.43660092182776 15.999 > 81 130 O 0.55017714819903 0.63048807719650 0.43660092182776 15.999 > 81 131 O 0.02723972005188 0.24271941514263 0.10524123934276 15.999 > 83 132 O 0.52723972005188 0.24271941514263 0.10524123934276 15.999 > 83 133 O 0.47276027994812 0.75728058485737 0.89475876065724 15.999 > 85 134 O 0.97276027994812 0.75728058485737 0.89475876065724 15.999 > 85 135 O 0.44982285180097 0.63048807719650 0.06339907817224 15.999 > 87 136 O 0.94982285180097 0.63048807719650 0.06339907817224 15.999 > 87 137 O 0.46552928911563 0.56957835476144 0.59151435537087 15.999 > 89 138 O 0.96552928911563 0.56957835476144 0.59151435537087 15.999 > 89 139 O 0.03447071088436 0.43042164523856 0.40848564462913 15.999 > 91 140 O 0.53447071088437 0.43042164523856 0.40848564462913 15.999 > 91 141 O 0.10751039144844 0.30170468210846 0.61436225194442 15.999 > 93 142 O 0.60751039144844 0.30170468210846 0.61436225194442 15.999 > 93 143 O 0.35799609513568 0.46731034171390 0.67648048450968 15.999 > 95 144 O 0.85799609513568 0.46731034171390 0.67648048450968 15.999 > 95 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7594208 0.0000000 -0.0107238 0.0000000 2.7338025 0.0000000 -0.0107227 0.0000000 2.7309531 -------------------------- Born effective charges -------------------------- 1 K 1.2025494 0.0000000 0.0094992 -0.0000000 1.3682746 0.0000000 -0.0232632 -0.0000000 1.2421237 2 K 1.2025494 0.0000000 0.0094992 -0.0000000 1.3682746 0.0000000 -0.0232632 -0.0000000 1.2421237 3 Ho 4.1474427 0.0000000 0.3490727 -0.0000000 3.8169761 0.0000000 -0.1743557 -0.0000000 4.5526035 4 Ho 4.1474427 0.0000000 0.3490727 -0.0000000 3.8169761 0.0000000 -0.1743557 -0.0000000 4.5526035 5 P 3.8125198 0.3409160 -0.0910083 -0.2516967 3.4959644 0.3712826 -0.2707778 0.1886906 3.2505371 6 P 3.8125198 -0.3409160 -0.0910083 0.2516967 3.4959644 -0.3712826 -0.2707778 -0.1886906 3.2505371 7 P 3.8125198 -0.3409160 -0.0910083 0.2516967 3.4959644 -0.3712826 -0.2707778 -0.1886906 3.2505371 8 P 3.6170204 0.1037676 -0.2814532 0.3273957 3.8680439 -0.2885822 0.3327253 -0.2496143 3.0936329 9 P 3.6170204 -0.1037676 -0.2814532 -0.3273957 3.8680439 0.2885822 0.3327253 0.2496143 3.0936329 10 P 3.6170204 0.1037676 -0.2814532 0.3273957 3.8680439 -0.2885822 0.3327253 -0.2496143 3.0936329 11 P 3.6170204 -0.1037676 -0.2814532 -0.3273957 3.8680439 0.2885822 0.3327253 0.2496143 3.0936329 12 P 3.8125198 0.3409160 -0.0910083 -0.2516967 3.4959644 0.3712826 -0.2707778 0.1886906 3.2505371 13 O -2.4326000 1.1109817 0.4539756 1.0485478 -1.9359307 -0.1431489 0.3024150 -0.1088928 -1.0140561 14 O -1.2854672 -0.2112065 -0.5430047 -0.0845771 -1.3608098 -0.4541038 -0.3038171 -0.4346525 -2.1290738 15 O -1.9345662 0.2701858 0.7128454 0.3420736 -1.0984061 -0.2528666 0.6606879 -0.2268145 -1.6378249 16 O -1.2854672 -0.2112065 -0.5430047 -0.0845771 -1.3608098 -0.4541038 -0.3038171 -0.4346525 -2.1290738 17 O -1.9345662 -0.2701858 0.7128454 -0.3420736 -1.0984061 0.2528666 0.6606879 0.2268145 -1.6378249 18 O -1.6892027 -0.0018515 -0.5793466 -0.1198978 -1.2225536 -0.0494892 -0.6472478 0.1086270 -1.7173745 19 O -1.2854672 0.2112065 -0.5430047 0.0845771 -1.3608098 0.4541038 -0.3038171 0.4346525 -2.1290738 20 O -1.5479653 0.8934674 0.1205652 0.9352737 -2.3538235 -0.3448106 0.0607467 -0.2932639 -1.0607973 21 O -1.9345662 0.2701858 0.7128454 0.3420736 -1.0984061 -0.2528666 0.6606879 -0.2268145 -1.6378249 22 O -1.5479653 0.8934674 0.1205652 0.9352737 -2.3538235 -0.3448106 0.0607467 -0.2932639 -1.0607973 23 O -1.2854672 0.2112065 -0.5430047 0.0845771 -1.3608098 0.4541038 -0.3038171 0.4346525 -2.1290738 24 O -1.6892027 -0.0018515 -0.5793466 -0.1198978 -1.2225536 -0.0494892 -0.6472478 0.1086270 -1.7173745 25 O -1.6892027 0.0018515 -0.5793466 0.1198978 -1.2225536 0.0494892 -0.6472478 -0.1086270 -1.7173745 26 O -1.2147348 0.0763657 0.0281406 0.0700631 -1.9851100 -0.9348904 -0.0359228 -0.7879424 -1.6824070 27 O -2.4326000 -1.1109817 0.4539756 -1.0485478 -1.9359307 0.1431489 0.3024150 0.1088928 -1.0140561 28 O -1.2147348 0.0763657 0.0281406 0.0700631 -1.9851100 -0.9348904 -0.0359228 -0.7879424 -1.6824070 29 O -2.4326000 1.1109817 0.4539756 1.0485478 -1.9359307 -0.1431489 0.3024150 -0.1088928 -1.0140561 30 O -1.2147348 -0.0763657 0.0281406 -0.0700631 -1.9851100 0.9348904 -0.0359228 0.7879424 -1.6824070 31 O -1.2147348 -0.0763657 0.0281406 -0.0700631 -1.9851100 0.9348904 -0.0359228 0.7879424 -1.6824070 32 O -2.4326000 -1.1109817 0.4539756 -1.0485478 -1.9359307 0.1431489 0.3024150 0.1088928 -1.0140561 33 O -1.5479653 -0.8934674 0.1205652 -0.9352737 -2.3538235 0.3448106 0.0607467 0.2932639 -1.0607973 34 O -1.5479653 -0.8934674 0.1205652 -0.9352737 -2.3538235 0.3448106 0.0607467 0.2932639 -1.0607973 35 O -1.6892027 0.0018515 -0.5793466 0.1198978 -1.2225536 0.0494892 -0.6472478 -0.1086270 -1.7173745 36 O -1.9345662 -0.2701858 0.7128454 -0.3420736 -1.0984061 0.2528666 0.6606879 0.2268145 -1.6378249 ---------------------------------------------------------------------------- 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] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] 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] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Computing fc3[ 23, 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] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] 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] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Computing fc3[ 51, 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] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Computing fc3[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Computing fc3[ 59, 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] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Computing fc3[ 63, 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] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Computing fc3[ 75, 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] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) 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 11:13:29]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 11:13:30]------------------------- 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 3.908524760004244 -6.190973065000000 0.000000000000000 b 3.908524760004244 6.190973065000000 0.000000000000000 c -3.773271185352943 0.000000000000000 9.706611670687103 Atomic positions (fractional): 1 K 0.81420782233916 0.18579217766084 0.75000000000000 39.098 2 K 0.18579217766084 0.81420782233916 0.25000000000000 39.098 3 Ho 0.88071201074386 0.11928798925614 0.25000000000000 164.930 4 Ho 0.11928798925614 0.88071201074386 0.75000000000000 164.930 5 P 0.74635254788469 0.69671116235164 0.94195796143044 30.974 6 P 0.69671116235164 0.74635254788469 0.44195796143044 30.974 7 P 0.30328883764836 0.25364745211531 0.55804203856956 30.974 8 P 0.62667449913414 0.28487690391647 0.00502929282415 30.974 9 P 0.71512309608353 0.37332550086585 0.49497070717585 30.974 10 P 0.37332550086586 0.71512309608353 0.99497070717585 30.974 11 P 0.28487690391647 0.62667449913414 0.50502929282415 30.974 12 P 0.25364745211531 0.30328883764836 0.05804203856956 30.974 13 O 0.53013378079844 0.26915762640544 0.56339907817224 15.999 14 O 0.86595227313801 0.84594224669402 0.08617022744602 15.999 15 O 0.18330253198527 0.24868184855746 0.17648048450968 15.999 16 O 0.13404772686199 0.15405775330598 0.91382977255398 15.999 17 O 0.75131815144254 0.81669746801473 0.32351951549032 15.999 18 O 0.48327453499466 0.08668389921157 0.88563774805558 15.999 19 O 0.84594224669402 0.86595227313801 0.58617022744602 15.999 20 O 0.50063693299271 0.36148022346983 0.09151435537087 15.999 21 O 0.81669746801473 0.75131815144254 0.82351951549032 15.999 22 O 0.49936306700729 0.63851977653017 0.90848564462913 15.999 23 O 0.15405775330598 0.13404772686199 0.41382977255398 15.999 24 O 0.51672546500534 0.91331610078843 0.11436225194442 15.999 25 O 0.08668389921157 0.48327453499466 0.38563774805558 15.999 26 O 0.29719885524639 0.81176002496113 0.60524123934276 15.999 27 O 0.73084237359456 0.46986621920156 0.93660092182776 15.999 28 O 0.70280114475361 0.18823997503887 0.39475876065724 15.999 29 O 0.46986621920156 0.73084237359456 0.43660092182776 15.999 30 O 0.81176002496113 0.29719885524639 0.10524123934276 15.999 31 O 0.18823997503887 0.70280114475361 0.89475876065724 15.999 32 O 0.26915762640544 0.53013378079844 0.06339907817224 15.999 33 O 0.36148022346983 0.50063693299271 0.59151435537087 15.999 34 O 0.63851977653017 0.49936306700729 0.40848564462913 15.999 35 O 0.91331610078843 0.51672546500534 0.61436225194442 15.999 36 O 0.24868184855746 0.18330253198527 0.67648048450968 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.634099040016977 0.000000000000000 0.000000000000000 b 0.000000000000000 12.381946129999999 0.000000000000000 c -3.773271185352943 0.000000000000000 9.706611670687103 Atomic positions (fractional): 1 K 0.25000000000000 0.68579217766084 0.75000000000000 39.098 > 1 2 K 0.75000000000000 0.68579217766084 0.75000000000000 39.098 > 1 3 K 0.25000000000000 0.31420782233916 0.25000000000000 39.098 > 3 4 K 0.75000000000000 0.31420782233916 0.25000000000000 39.098 > 3 5 K 0.00000000000000 0.18579217766084 0.75000000000000 39.098 > 1 6 K 0.50000000000000 0.18579217766084 0.75000000000000 39.098 > 1 7 K 0.00000000000000 0.81420782233916 0.25000000000000 39.098 > 3 8 K 0.50000000000000 0.81420782233916 0.25000000000000 39.098 > 3 9 Ho 0.25000000000000 0.61928798925614 0.25000000000000 164.930 > 9 10 Ho 0.75000000000000 0.61928798925614 0.25000000000000 164.930 > 9 11 Ho 0.25000000000000 0.38071201074386 0.75000000000000 164.930 > 11 12 Ho 0.75000000000000 0.38071201074386 0.75000000000000 164.930 > 11 13 Ho 0.00000000000000 0.11928798925614 0.25000000000000 164.930 > 9 14 Ho 0.50000000000000 0.11928798925614 0.25000000000000 164.930 > 9 15 Ho 0.00000000000000 0.88071201074386 0.75000000000000 164.930 > 11 16 Ho 0.50000000000000 0.88071201074386 0.75000000000000 164.930 > 11 17 P 0.36076592755908 0.97517930723348 0.94195796143044 30.974 > 17 18 P 0.86076592755908 0.97517930723348 0.94195796143044 30.974 > 17 19 P 0.36076592755908 0.02482069276652 0.44195796143044 30.974 > 19 20 P 0.86076592755908 0.02482069276652 0.44195796143044 30.974 > 19 21 P 0.13923407244092 0.97517930723348 0.55804203856956 30.974 > 21 22 P 0.63923407244092 0.97517930723348 0.55804203856956 30.974 > 21 23 P 0.22788785076265 0.82910120239116 0.00502929282415 30.974 > 23 24 P 0.72788785076265 0.82910120239116 0.00502929282415 30.974 > 23 25 P 0.27211214923735 0.82910120239116 0.49497070717585 30.974 > 25 26 P 0.77211214923735 0.82910120239116 0.49497070717585 30.974 > 25 27 P 0.27211214923735 0.17089879760884 0.99497070717585 30.974 > 27 28 P 0.77211214923735 0.17089879760884 0.99497070717585 30.974 > 27 29 P 0.22788785076265 0.17089879760884 0.50502929282415 30.974 > 29 30 P 0.72788785076265 0.17089879760884 0.50502929282415 30.974 > 29 31 P 0.13923407244092 0.02482069276652 0.05804203856956 30.974 > 31 32 P 0.63923407244092 0.02482069276652 0.05804203856956 30.974 > 31 33 P 0.11076592755908 0.47517930723348 0.94195796143044 30.974 > 17 34 P 0.61076592755908 0.47517930723348 0.94195796143044 30.974 > 17 35 P 0.11076592755908 0.52482069276652 0.44195796143044 30.974 > 19 36 P 0.61076592755908 0.52482069276652 0.44195796143044 30.974 > 19 37 P 0.38923407244092 0.47517930723348 0.55804203856956 30.974 > 21 38 P 0.88923407244092 0.47517930723348 0.55804203856956 30.974 > 21 39 P 0.47788785076265 0.32910120239116 0.00502929282415 30.974 > 23 40 P 0.97788785076265 0.32910120239116 0.00502929282415 30.974 > 23 41 P 0.02211214923735 0.32910120239116 0.49497070717585 30.974 > 25 42 P 0.52211214923735 0.32910120239116 0.49497070717585 30.974 > 25 43 P 0.02211214923735 0.67089879760884 0.99497070717585 30.974 > 27 44 P 0.52211214923735 0.67089879760884 0.99497070717585 30.974 > 27 45 P 0.47788785076265 0.67089879760884 0.50502929282415 30.974 > 29 46 P 0.97788785076265 0.67089879760884 0.50502929282415 30.974 > 29 47 P 0.38923407244092 0.52482069276652 0.05804203856956 30.974 > 31 48 P 0.88923407244092 0.52482069276652 0.05804203856956 30.974 > 31 49 O 0.19982285180097 0.86951192280350 0.56339907817224 15.999 > 49 50 O 0.69982285180097 0.86951192280350 0.56339907817224 15.999 > 49 51 O 0.42797362995801 0.98999498677801 0.08617022744602 15.999 > 51 52 O 0.92797362995801 0.98999498677801 0.08617022744602 15.999 > 51 53 O 0.10799609513568 0.03268965828610 0.17648048450968 15.999 > 53 54 O 0.60799609513568 0.03268965828610 0.17648048450968 15.999 > 53 55 O 0.07202637004199 0.01000501322200 0.91382977255398 15.999 > 55 56 O 0.57202637004199 0.01000501322200 0.91382977255398 15.999 > 55 57 O 0.39200390486432 0.03268965828610 0.32351951549032 15.999 > 57 58 O 0.89200390486432 0.03268965828610 0.32351951549032 15.999 > 57 59 O 0.14248960855156 0.80170468210846 0.88563774805558 15.999 > 59 60 O 0.64248960855156 0.80170468210846 0.88563774805558 15.999 > 59 61 O 0.42797362995801 0.01000501322200 0.58617022744602 15.999 > 61 62 O 0.92797362995801 0.01000501322200 0.58617022744602 15.999 > 61 63 O 0.21552928911563 0.93042164523856 0.09151435537087 15.999 > 63 64 O 0.71552928911563 0.93042164523856 0.09151435537087 15.999 > 63 65 O 0.39200390486432 0.96731034171390 0.82351951549032 15.999 > 65 66 O 0.89200390486432 0.96731034171390 0.82351951549032 15.999 > 65 67 O 0.28447071088437 0.06957835476144 0.90848564462913 15.999 > 67 68 O 0.78447071088437 0.06957835476144 0.90848564462913 15.999 > 67 69 O 0.07202637004199 0.98999498677801 0.41382977255398 15.999 > 69 70 O 0.57202637004199 0.98999498677801 0.41382977255398 15.999 > 69 71 O 0.35751039144844 0.19829531789155 0.11436225194442 15.999 > 71 72 O 0.85751039144844 0.19829531789155 0.11436225194442 15.999 > 71 73 O 0.14248960855156 0.19829531789155 0.38563774805558 15.999 > 73 74 O 0.64248960855156 0.19829531789155 0.38563774805558 15.999 > 73 75 O 0.27723972005188 0.25728058485737 0.60524123934276 15.999 > 75 76 O 0.77723972005188 0.25728058485737 0.60524123934276 15.999 > 75 77 O 0.30017714819903 0.86951192280350 0.93660092182776 15.999 > 77 78 O 0.80017714819903 0.86951192280350 0.93660092182776 15.999 > 77 79 O 0.22276027994812 0.74271941514263 0.39475876065724 15.999 > 79 80 O 0.72276027994812 0.74271941514263 0.39475876065724 15.999 > 79 81 O 0.30017714819903 0.13048807719650 0.43660092182776 15.999 > 81 82 O 0.80017714819903 0.13048807719650 0.43660092182776 15.999 > 81 83 O 0.27723972005188 0.74271941514263 0.10524123934276 15.999 > 83 84 O 0.77723972005188 0.74271941514263 0.10524123934276 15.999 > 83 85 O 0.22276027994812 0.25728058485737 0.89475876065724 15.999 > 85 86 O 0.72276027994812 0.25728058485737 0.89475876065724 15.999 > 85 87 O 0.19982285180097 0.13048807719650 0.06339907817224 15.999 > 87 88 O 0.69982285180097 0.13048807719650 0.06339907817224 15.999 > 87 89 O 0.21552928911563 0.06957835476144 0.59151435537087 15.999 > 89 90 O 0.71552928911563 0.06957835476144 0.59151435537087 15.999 > 89 91 O 0.28447071088437 0.93042164523856 0.40848564462913 15.999 > 91 92 O 0.78447071088437 0.93042164523856 0.40848564462913 15.999 > 91 93 O 0.35751039144844 0.80170468210846 0.61436225194442 15.999 > 93 94 O 0.85751039144844 0.80170468210846 0.61436225194442 15.999 > 93 95 O 0.10799609513568 0.96731034171390 0.67648048450968 15.999 > 95 96 O 0.60799609513568 0.96731034171390 0.67648048450968 15.999 > 95 97 O 0.44982285180097 0.36951192280350 0.56339907817224 15.999 > 49 98 O 0.94982285180097 0.36951192280350 0.56339907817224 15.999 > 49 99 O 0.17797362995801 0.48999498677801 0.08617022744602 15.999 > 51 100 O 0.67797362995801 0.48999498677801 0.08617022744602 15.999 > 51 101 O 0.35799609513568 0.53268965828610 0.17648048450968 15.999 > 53 102 O 0.85799609513568 0.53268965828610 0.17648048450968 15.999 > 53 103 O 0.32202637004199 0.51000501322199 0.91382977255398 15.999 > 55 104 O 0.82202637004199 0.51000501322199 0.91382977255398 15.999 > 55 105 O 0.14200390486432 0.53268965828610 0.32351951549032 15.999 > 57 106 O 0.64200390486432 0.53268965828610 0.32351951549032 15.999 > 57 107 O 0.39248960855156 0.30170468210846 0.88563774805558 15.999 > 59 108 O 0.89248960855156 0.30170468210846 0.88563774805558 15.999 > 59 109 O 0.17797362995801 0.51000501322199 0.58617022744602 15.999 > 61 110 O 0.67797362995801 0.51000501322199 0.58617022744602 15.999 > 61 111 O 0.46552928911563 0.43042164523856 0.09151435537087 15.999 > 63 112 O 0.96552928911563 0.43042164523856 0.09151435537087 15.999 > 63 113 O 0.14200390486432 0.46731034171390 0.82351951549032 15.999 > 65 114 O 0.64200390486432 0.46731034171390 0.82351951549032 15.999 > 65 115 O 0.03447071088436 0.56957835476144 0.90848564462913 15.999 > 67 116 O 0.53447071088437 0.56957835476144 0.90848564462913 15.999 > 67 117 O 0.32202637004199 0.48999498677801 0.41382977255398 15.999 > 69 118 O 0.82202637004199 0.48999498677801 0.41382977255398 15.999 > 69 119 O 0.10751039144844 0.69829531789154 0.11436225194442 15.999 > 71 120 O 0.60751039144844 0.69829531789154 0.11436225194442 15.999 > 71 121 O 0.39248960855156 0.69829531789154 0.38563774805558 15.999 > 73 122 O 0.89248960855156 0.69829531789154 0.38563774805558 15.999 > 73 123 O 0.02723972005188 0.75728058485737 0.60524123934276 15.999 > 75 124 O 0.52723972005188 0.75728058485737 0.60524123934276 15.999 > 75 125 O 0.05017714819903 0.36951192280350 0.93660092182776 15.999 > 77 126 O 0.55017714819903 0.36951192280350 0.93660092182776 15.999 > 77 127 O 0.47276027994812 0.24271941514263 0.39475876065724 15.999 > 79 128 O 0.97276027994812 0.24271941514263 0.39475876065724 15.999 > 79 129 O 0.05017714819903 0.63048807719650 0.43660092182776 15.999 > 81 130 O 0.55017714819903 0.63048807719650 0.43660092182776 15.999 > 81 131 O 0.02723972005188 0.24271941514263 0.10524123934276 15.999 > 83 132 O 0.52723972005188 0.24271941514263 0.10524123934276 15.999 > 83 133 O 0.47276027994812 0.75728058485737 0.89475876065724 15.999 > 85 134 O 0.97276027994812 0.75728058485737 0.89475876065724 15.999 > 85 135 O 0.44982285180097 0.63048807719650 0.06339907817224 15.999 > 87 136 O 0.94982285180097 0.63048807719650 0.06339907817224 15.999 > 87 137 O 0.46552928911563 0.56957835476144 0.59151435537087 15.999 > 89 138 O 0.96552928911563 0.56957835476144 0.59151435537087 15.999 > 89 139 O 0.03447071088436 0.43042164523856 0.40848564462913 15.999 > 91 140 O 0.53447071088437 0.43042164523856 0.40848564462913 15.999 > 91 141 O 0.10751039144844 0.30170468210846 0.61436225194442 15.999 > 93 142 O 0.60751039144844 0.30170468210846 0.61436225194442 15.999 > 93 143 O 0.35799609513568 0.46731034171390 0.67648048450968 15.999 > 95 144 O 0.85799609513568 0.46731034171390 0.67648048450968 15.999 > 95 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.7594208 0.0000000 -0.0107238 0.0000000 2.7338025 0.0000000 -0.0107227 0.0000000 2.7309531 -------------------------- Born effective charges -------------------------- 1 K 1.2025494 0.0000000 0.0094992 -0.0000000 1.3682746 0.0000000 -0.0232632 -0.0000000 1.2421237 2 K 1.2025494 0.0000000 0.0094992 -0.0000000 1.3682746 0.0000000 -0.0232632 -0.0000000 1.2421237 3 Ho 4.1474427 0.0000000 0.3490727 -0.0000000 3.8169761 0.0000000 -0.1743557 -0.0000000 4.5526035 4 Ho 4.1474427 0.0000000 0.3490727 -0.0000000 3.8169761 0.0000000 -0.1743557 -0.0000000 4.5526035 5 P 3.8125198 0.3409160 -0.0910083 -0.2516967 3.4959644 0.3712826 -0.2707778 0.1886906 3.2505371 6 P 3.8125198 -0.3409160 -0.0910083 0.2516967 3.4959644 -0.3712826 -0.2707778 -0.1886906 3.2505371 7 P 3.8125198 -0.3409160 -0.0910083 0.2516967 3.4959644 -0.3712826 -0.2707778 -0.1886906 3.2505371 8 P 3.6170204 0.1037676 -0.2814532 0.3273957 3.8680439 -0.2885822 0.3327253 -0.2496143 3.0936329 9 P 3.6170204 -0.1037676 -0.2814532 -0.3273957 3.8680439 0.2885822 0.3327253 0.2496143 3.0936329 10 P 3.6170204 0.1037676 -0.2814532 0.3273957 3.8680439 -0.2885822 0.3327253 -0.2496143 3.0936329 11 P 3.6170204 -0.1037676 -0.2814532 -0.3273957 3.8680439 0.2885822 0.3327253 0.2496143 3.0936329 12 P 3.8125198 0.3409160 -0.0910083 -0.2516967 3.4959644 0.3712826 -0.2707778 0.1886906 3.2505371 13 O -2.4326000 1.1109817 0.4539756 1.0485478 -1.9359307 -0.1431489 0.3024150 -0.1088928 -1.0140561 14 O -1.2854672 -0.2112065 -0.5430047 -0.0845771 -1.3608098 -0.4541038 -0.3038171 -0.4346525 -2.1290738 15 O -1.9345662 0.2701858 0.7128454 0.3420736 -1.0984061 -0.2528666 0.6606879 -0.2268145 -1.6378249 16 O -1.2854672 -0.2112065 -0.5430047 -0.0845771 -1.3608098 -0.4541038 -0.3038171 -0.4346525 -2.1290738 17 O -1.9345662 -0.2701858 0.7128454 -0.3420736 -1.0984061 0.2528666 0.6606879 0.2268145 -1.6378249 18 O -1.6892027 -0.0018515 -0.5793466 -0.1198978 -1.2225536 -0.0494892 -0.6472478 0.1086270 -1.7173745 19 O -1.2854672 0.2112065 -0.5430047 0.0845771 -1.3608098 0.4541038 -0.3038171 0.4346525 -2.1290738 20 O -1.5479653 0.8934674 0.1205652 0.9352737 -2.3538235 -0.3448106 0.0607467 -0.2932639 -1.0607973 21 O -1.9345662 0.2701858 0.7128454 0.3420736 -1.0984061 -0.2528666 0.6606879 -0.2268145 -1.6378249 22 O -1.5479653 0.8934674 0.1205652 0.9352737 -2.3538235 -0.3448106 0.0607467 -0.2932639 -1.0607973 23 O -1.2854672 0.2112065 -0.5430047 0.0845771 -1.3608098 0.4541038 -0.3038171 0.4346525 -2.1290738 24 O -1.6892027 -0.0018515 -0.5793466 -0.1198978 -1.2225536 -0.0494892 -0.6472478 0.1086270 -1.7173745 25 O -1.6892027 0.0018515 -0.5793466 0.1198978 -1.2225536 0.0494892 -0.6472478 -0.1086270 -1.7173745 26 O -1.2147348 0.0763657 0.0281406 0.0700631 -1.9851100 -0.9348904 -0.0359228 -0.7879424 -1.6824070 27 O -2.4326000 -1.1109817 0.4539756 -1.0485478 -1.9359307 0.1431489 0.3024150 0.1088928 -1.0140561 28 O -1.2147348 0.0763657 0.0281406 0.0700631 -1.9851100 -0.9348904 -0.0359228 -0.7879424 -1.6824070 29 O -2.4326000 1.1109817 0.4539756 1.0485478 -1.9359307 -0.1431489 0.3024150 -0.1088928 -1.0140561 30 O -1.2147348 -0.0763657 0.0281406 -0.0700631 -1.9851100 0.9348904 -0.0359228 0.7879424 -1.6824070 31 O -1.2147348 -0.0763657 0.0281406 -0.0700631 -1.9851100 0.9348904 -0.0359228 0.7879424 -1.6824070 32 O -2.4326000 -1.1109817 0.4539756 -1.0485478 -1.9359307 0.1431489 0.3024150 0.1088928 -1.0140561 33 O -1.5479653 -0.8934674 0.1205652 -0.9352737 -2.3538235 0.3448106 0.0607467 0.2932639 -1.0607973 34 O -1.5479653 -0.8934674 0.1205652 -0.9352737 -2.3538235 0.3448106 0.0607467 0.2932639 -1.0607973 35 O -1.6892027 0.0018515 -0.5793466 0.1198978 -1.2225536 0.0494892 -0.6472478 -0.1086270 -1.7173745 36 O -1.9345662 -0.2701858 0.7128454 -0.3420736 -1.0984061 0.2528666 0.6606879 0.2268145 -1.6378249 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 8 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.53, Number of G-points: 293, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/93) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.498 ( 0.000 0.000 0.000) 0.000 1.188 ( 0.000 0.000 0.000) 0.000 2.297 ( 0.000 0.000 0.000) 0.000 2.571 ( 0.000 0.000 0.000) 0.000 2.634 ( 0.000 0.000 0.000) 0.000 2.688 ( 0.000 0.000 0.000) 0.000 2.867 ( 0.000 0.000 0.000) 0.000 3.165 ( 0.000 0.000 0.000) 0.000 3.305 ( 0.000 0.000 0.000) 0.000 3.440 ( 0.000 0.000 0.000) 0.000 3.462 ( 0.000 0.000 0.000) 0.000 3.863 ( 0.000 0.000 0.000) 0.000 3.941 ( 0.000 0.000 0.000) 0.000 3.947 ( 0.000 0.000 0.000) 0.000 4.258 ( 0.000 0.000 0.000) 0.000 4.436 ( 0.000 0.000 0.000) 0.000 4.480 ( 0.000 0.000 0.000) 0.000 4.519 ( 0.000 0.000 0.000) 0.000 4.749 ( 0.000 0.000 0.000) 0.000 4.787 ( 0.000 0.000 0.000) 0.000 4.880 ( 0.000 0.000 0.000) 0.000 4.906 ( 0.000 0.000 0.000) 0.000 4.963 ( 0.000 0.000 0.000) 0.000 5.328 ( 0.000 0.000 0.000) 0.000 5.352 ( 0.000 0.000 0.000) 0.000 5.399 ( 0.000 0.000 0.000) 0.000 5.416 ( 0.000 0.000 0.000) 0.000 5.828 ( 0.000 0.000 0.000) 0.000 5.959 ( 0.000 0.000 0.000) 0.000 6.517 ( 0.000 0.000 0.000) 0.000 6.608 ( 0.000 0.000 0.000) 0.000 6.824 ( 0.000 0.000 0.000) 0.000 6.933 ( 0.000 0.000 0.000) 0.000 7.180 ( 0.000 0.000 0.000) 0.000 7.391 ( 0.000 0.000 0.000) 0.000 7.464 ( 0.000 0.000 0.000) 0.000 7.762 ( 0.000 0.000 0.000) 0.000 8.929 ( 0.000 0.000 0.000) 0.000 8.986 ( 0.000 0.000 0.000) 0.000 8.986 ( 0.000 0.000 0.000) 0.000 9.128 ( 0.000 0.000 0.000) 0.000 9.226 ( 0.000 0.000 0.000) 0.000 9.403 ( 0.000 0.000 0.000) 0.000 9.822 ( 0.000 0.000 0.000) 0.000 9.972 ( 0.000 0.000 0.000) 0.000 10.103 ( 0.000 0.000 0.000) 0.000 10.158 ( 0.000 0.000 0.000) 0.000 10.422 ( 0.000 0.000 0.000) 0.000 10.724 ( 0.000 0.000 0.000) 0.000 11.127 ( 0.000 0.000 0.000) 0.000 11.236 ( 0.000 0.000 0.000) 0.000 11.635 ( 0.000 0.000 0.000) 0.000 11.645 ( 0.000 0.000 0.000) 0.000 13.261 ( 0.000 0.000 0.000) 0.000 13.307 ( 0.000 0.000 0.000) 0.000 13.355 ( 0.000 0.000 0.000) 0.000 13.412 ( 0.000 0.000 0.000) 0.000 13.525 ( 0.000 0.000 0.000) 0.000 13.576 ( 0.000 0.000 0.000) 0.000 13.786 ( 0.000 0.000 0.000) 0.000 13.862 ( 0.000 0.000 0.000) 0.000 14.158 ( 0.000 0.000 0.000) 0.000 14.211 ( 0.000 0.000 0.000) 0.000 14.290 ( 0.000 0.000 0.000) 0.000 14.390 ( 0.000 0.000 0.000) 0.000 15.300 ( 0.000 0.000 0.000) 0.000 15.438 ( 0.000 0.000 0.000) 0.000 15.651 ( 0.000 0.000 0.000) 0.000 15.673 ( 0.000 0.000 0.000) 0.000 16.601 ( 0.000 0.000 0.000) 0.000 16.602 ( 0.000 0.000 0.000) 0.000 16.621 ( 0.000 0.000 0.000) 0.000 16.708 ( 0.000 0.000 0.000) 0.000 19.555 ( 0.000 0.000 0.000) 0.000 19.683 ( 0.000 0.000 0.000) 0.000 19.982 ( 0.000 0.000 0.000) 0.000 20.233 ( 0.000 0.000 0.000) 0.000 21.117 ( 0.000 0.000 0.000) 0.000 21.701 ( 0.000 0.000 0.000) 0.000 23.108 ( 0.000 0.000 0.000) 0.000 23.610 ( 0.000 0.000 0.000) 0.000 26.757 ( 0.000 0.000 0.000) 0.000 26.762 ( 0.000 0.000 0.000) 0.000 28.903 ( 0.000 0.000 0.000) 0.000 29.115 ( 0.000 0.000 0.000) 0.000 29.443 ( 0.000 0.000 0.000) 0.000 29.584 ( 0.000 0.000 0.000) 0.000 30.703 ( 0.000 0.000 0.000) 0.000 30.833 ( 0.000 0.000 0.000) 0.000 31.125 ( 0.000 0.000 0.000) 0.000 31.358 ( 0.000 0.000 0.000) 0.000 32.181 ( 0.000 0.000 0.000) 0.000 32.214 ( 0.000 0.000 0.000) 0.000 32.430 ( 0.000 0.000 0.000) 0.000 32.561 ( 0.000 0.000 0.000) 0.000 33.458 ( 0.000 0.000 0.000) 0.000 34.238 ( 0.000 0.000 0.000) 0.000 35.543 ( 0.000 0.000 0.000) 0.000 35.782 ( 0.000 0.000 0.000) 0.000 35.907 ( 0.000 0.000 0.000) 0.000 36.185 ( 0.000 0.000 0.000) 0.000 36.279 ( 0.000 0.000 0.000) 0.000 36.685 ( 0.000 0.000 0.000) 0.000 36.842 ( 0.000 0.000 0.000) 0.000 39.270 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/93) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.541 ( 21.558 -12.707 8.183) 26.328 0.657 ( 22.841 -15.642 14.259) 31.140 0.861 ( 28.185 -11.653 9.689) 32.001 1.082 ( 19.364 5.586 12.793) 23.871 1.207 ( -0.713 -5.244 3.878) 6.561 2.352 ( 8.296 -8.102 -11.696) 16.470 2.580 ( 0.733 1.615 -12.958) 13.079 2.723 ( 5.966 1.497 5.027) 7.943 2.844 ( 14.535 -8.274 5.649) 17.653 2.945 ( 4.070 7.516 4.068) 9.466 3.232 ( -1.581 -9.429 6.325) 11.464 3.249 ( 2.082 8.512 -7.676) 11.649 3.385 ( -2.871 -1.623 -2.201) 3.965 3.459 ( 2.324 4.219 -2.356) 5.362 3.779 ( -4.365 2.898 0.368) 5.252 3.928 ( -2.280 2.816 0.502) 3.658 4.040 ( -7.643 -1.956 2.826) 8.380 4.158 ( -9.064 -16.477 -2.169) 18.930 4.394 ( -7.836 2.141 1.552) 8.270 4.457 ( 0.887 2.792 -1.660) 3.367 4.568 ( 11.916 5.179 -10.252) 16.550 4.694 ( -7.225 3.793 0.532) 8.177 4.789 ( -1.993 -0.632 -0.161) 2.097 4.852 ( -2.179 -2.505 -1.646) 3.706 4.994 ( 0.275 -0.010 8.134) 8.138 5.222 ( -4.745 7.046 -3.356) 9.134 5.327 ( 2.918 0.102 -3.297) 4.404 5.410 ( -2.248 -2.032 4.352) 5.303 5.468 ( 3.174 -1.106 -2.215) 4.025 5.700 ( -2.021 7.318 4.452) 8.801 5.750 ( -3.292 8.889 8.372) 12.647 5.960 ( -13.441 -0.567 3.089) 13.803 6.458 ( -3.534 3.518 -1.949) 5.354 6.624 ( -17.253 -0.142 14.449) 22.505 6.814 ( -0.000 2.967 -2.726) 4.029 6.960 ( 4.021 3.988 -0.417) 5.678 7.147 ( -4.904 -2.516 -2.012) 5.867 7.288 ( -8.448 -1.674 4.609) 9.769 7.562 ( 9.351 2.981 -0.452) 9.825 7.782 ( 2.448 2.410 -0.030) 3.435 8.932 ( -3.055 4.253 0.177) 5.239 8.994 ( 1.125 0.883 -0.900) 1.690 9.074 ( 9.399 3.710 4.631) 11.116 9.212 ( 7.589 -3.822 -0.549) 8.515 9.287 ( 7.256 -0.080 1.311) 7.374 9.433 ( 1.154 -3.156 -0.240) 3.369 9.876 ( 2.908 7.239 -7.628) 10.911 9.930 ( -6.622 -0.897 3.730) 7.653 10.090 ( -0.582 3.143 0.124) 3.199 10.188 ( 3.638 -1.418 -2.700) 4.747 10.392 ( -5.652 -2.308 2.267) 6.512 10.674 ( -7.026 -2.993 -0.077) 7.637 11.211 ( 7.857 3.204 -0.004) 8.485 11.317 ( 2.788 -1.236 0.144) 3.053 11.650 ( 2.554 0.664 -1.320) 2.951 11.662 ( 3.278 -0.260 -1.219) 3.507 13.231 ( -3.041 -0.453 0.130) 3.077 13.282 ( -2.196 -0.660 -1.742) 2.880 13.308 ( -5.576 4.278 -0.679) 7.061 13.404 ( 0.773 -2.233 -0.010) 2.363 13.631 ( 13.175 11.832 -0.476) 17.715 13.759 ( -3.747 4.127 0.714) 5.620 13.832 ( -1.182 0.297 -0.946) 1.543 14.017 ( -0.513 4.590 0.042) 4.619 14.113 ( 15.110 -2.168 -5.446) 16.207 14.160 ( -6.922 -6.239 0.830) 9.356 14.431 ( 4.305 -4.835 0.857) 6.530 14.841 ( -14.757 -36.411 -9.961) 40.531 15.364 ( 0.352 1.401 -1.353) 1.980 15.506 ( -2.318 -11.362 -13.460) 17.766 15.691 ( 2.657 0.781 0.208) 2.777 15.725 ( 6.016 0.387 0.306) 6.036 16.559 ( -1.159 -1.021 -1.912) 2.458 16.667 ( 2.962 -0.036 2.232) 3.709 16.708 ( 0.410 -0.180 -0.554) 0.713 16.994 ( 10.896 12.088 -8.402) 18.315 19.496 ( -4.735 2.624 -1.485) 5.614 19.646 ( -3.086 2.245 0.578) 3.860 20.039 ( 5.380 4.202 -5.332) 8.662 20.390 ( -4.585 -16.771 -6.709) 18.636 21.119 ( 0.386 0.524 0.579) 0.871 21.705 ( -1.004 -0.481 -0.367) 1.172 23.110 ( -0.209 -0.813 -0.468) 0.961 23.604 ( 0.410 0.933 -0.785) 1.286 26.749 ( -0.605 1.020 0.079) 1.188 26.769 ( 0.467 -0.949 -0.035) 1.059 29.019 ( -5.339 -8.682 -0.113) 10.193 29.265 ( -0.277 -16.356 -0.309) 16.361 29.522 ( 8.345 -1.212 -0.481) 8.446 30.698 ( -1.833 -0.584 1.021) 2.178 30.820 ( -1.682 -0.866 -0.407) 1.935 31.099 ( -3.651 -0.409 0.849) 3.771 31.119 ( 16.879 -12.263 -68.874) 71.965 31.336 ( 2.403 1.031 -10.584) 10.902 32.211 ( 2.199 -1.101 -0.296) 2.477 32.249 ( 1.015 -0.700 -0.342) 1.280 32.557 ( 3.189 2.571 1.448) 4.345 33.089 ( 9.893 -1.426 -26.840) 28.641 33.466 ( 0.289 -1.535 -0.623) 1.681 34.216 ( -1.156 1.645 -1.458) 2.484 35.557 ( 1.196 0.561 2.421) 2.758 35.902 ( -0.632 -0.835 -1.493) 1.824 36.163 ( 0.746 4.708 2.067) 5.195 36.218 ( 3.681 7.298 5.935) 10.101 36.673 ( 9.538 -1.263 -23.246) 25.158 36.837 ( -0.319 1.168 1.220) 1.719 37.134 ( -27.007 12.465 93.721) 98.328 39.197 ( -6.053 5.072 0.905) 7.949 ======================= Grid point 2 (3/93) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.961 ( 10.205 -4.603 4.093) 11.920 1.042 ( 3.477 -2.744 -3.612) 5.716 1.186 ( 20.686 -8.283 3.792) 22.603 1.478 ( 14.204 -17.661 16.797) 28.210 1.730 ( 23.307 -14.192 16.250) 31.760 2.430 ( -1.200 7.907 -14.987) 16.987 2.537 ( 6.040 -4.412 -7.419) 10.535 2.762 ( -1.523 6.835 3.195) 7.697 2.914 ( 1.008 5.221 6.738) 8.584 3.075 ( 12.115 -1.759 -5.865) 13.574 3.231 ( -11.940 -6.912 2.290) 13.985 3.389 ( 16.312 -1.042 -6.466) 17.578 3.452 ( 7.821 -3.322 1.302) 8.596 3.459 ( 2.604 -0.738 -0.543) 2.760 3.691 ( -7.303 -4.373 2.736) 8.941 3.792 ( -5.455 7.692 0.349) 9.437 3.920 ( -3.806 5.591 6.319) 9.256 4.206 ( -6.185 -5.994 -3.937) 9.470 4.260 ( -10.547 -2.555 5.649) 12.235 4.451 ( 2.495 -0.361 -1.374) 2.871 4.506 ( -3.277 3.220 -2.891) 5.429 4.605 ( -1.075 -0.090 -8.218) 8.289 4.763 ( 3.658 4.278 -1.639) 5.862 4.846 ( -3.741 -1.275 1.943) 4.404 5.014 ( -2.802 1.796 6.674) 7.458 5.034 ( -6.264 3.590 -4.505) 8.510 5.353 ( 1.164 -0.419 -0.949) 1.559 5.399 ( -4.439 2.094 -6.209) 7.915 5.448 ( -1.461 0.207 2.154) 2.611 5.601 ( -6.274 -2.600 2.253) 7.155 5.721 ( -7.170 7.742 4.642) 11.528 5.756 ( -0.878 -1.346 -0.698) 1.752 6.337 ( -5.373 4.602 1.086) 7.158 6.440 ( -13.372 -3.201 4.208) 14.380 6.752 ( -3.304 1.500 -1.548) 3.945 6.932 ( -5.256 -0.092 -3.211) 6.160 7.040 ( -0.160 3.776 -1.768) 4.172 7.345 ( 3.151 -4.208 6.121) 8.068 7.608 ( 2.367 7.904 -0.624) 8.275 7.792 ( 3.270 2.466 -0.173) 4.099 8.845 ( -2.252 3.384 0.822) 4.147 9.013 ( 1.352 -1.522 -1.941) 2.813 9.139 ( 3.047 4.386 0.363) 5.353 9.386 ( 5.573 0.331 2.529) 6.129 9.458 ( 10.265 -1.780 -0.302) 10.422 9.510 ( 8.935 -0.557 -0.257) 8.956 9.809 ( -1.057 2.285 -4.111) 4.821 9.866 ( -2.792 -0.098 3.741) 4.669 10.024 ( -2.462 4.161 0.278) 4.843 10.228 ( -2.411 -2.585 0.836) 3.632 10.333 ( -4.934 -1.544 0.159) 5.172 10.609 ( -5.138 -7.006 -0.793) 8.724 11.316 ( 8.124 2.152 -0.242) 8.408 11.370 ( 4.287 1.736 0.284) 4.634 11.697 ( 3.870 0.877 -1.174) 4.138 11.734 ( 6.244 -1.067 -1.323) 6.471 13.068 ( -14.969 8.187 -0.486) 17.068 13.168 ( -3.726 1.314 -0.280) 3.961 13.284 ( 0.876 -3.358 -0.896) 3.584 13.464 ( 1.074 -4.111 0.342) 4.263 13.607 ( -5.355 5.433 -0.336) 7.636 13.718 ( 13.555 12.921 -0.236) 18.728 13.833 ( -0.192 -1.724 1.317) 2.178 13.997 ( 0.383 -1.895 -1.153) 2.251 14.106 ( -11.093 -10.665 1.179) 15.433 14.341 ( 6.683 -0.524 -0.442) 6.718 14.540 ( 1.343 -5.922 2.187) 6.455 14.941 ( 0.077 -17.498 -3.526) 17.850 15.399 ( 2.072 -5.513 0.407) 5.903 15.532 ( 2.937 -4.609 -6.248) 8.301 15.721 ( 1.660 1.121 0.419) 2.046 15.795 ( 3.704 2.676 0.412) 4.588 16.567 ( 1.328 -2.016 -1.047) 2.631 16.704 ( 1.391 -0.122 -0.786) 1.602 16.731 ( 1.098 -0.334 1.525) 1.908 16.991 ( 3.688 4.960 -2.707) 6.747 19.358 ( -6.028 3.574 -2.368) 7.397 19.561 ( -4.296 2.764 0.647) 5.149 20.051 ( 2.745 1.499 -2.723) 4.147 20.456 ( -0.377 -8.924 -2.188) 9.196 21.126 ( 0.958 0.666 -0.062) 1.168 21.689 ( -0.460 0.881 -0.112) 1.000 23.111 ( -0.348 -0.958 -0.685) 1.229 23.602 ( 1.069 0.646 -0.941) 1.564 26.724 ( -0.828 1.476 0.050) 1.693 26.791 ( 0.692 -1.417 0.033) 1.577 29.014 ( -0.962 -0.611 -0.420) 1.215 29.454 ( 3.709 -13.943 0.421) 14.434 29.736 ( 15.547 -2.161 -0.154) 15.698 30.644 ( -6.281 0.739 1.146) 6.428 30.806 ( -1.539 -2.485 -0.378) 2.947 31.037 ( -4.736 -1.160 -0.327) 4.887 31.088 ( 1.980 -8.187 -22.076) 23.628 31.295 ( 3.820 2.436 -12.314) 13.121 32.245 ( 1.017 0.189 -0.507) 1.152 32.279 ( 1.825 -1.405 -0.550) 2.368 32.597 ( 2.394 0.315 0.956) 2.597 33.109 ( 6.626 1.205 -9.182) 11.387 33.486 ( 0.462 -1.900 -1.002) 2.197 34.154 ( -2.153 2.556 -2.257) 4.033 35.600 ( 2.525 1.028 4.479) 5.243 35.882 ( -1.819 -1.598 -2.929) 3.800 36.145 ( -0.205 1.412 0.697) 1.587 36.238 ( 2.038 2.443 1.981) 3.748 36.701 ( 5.304 -1.034 -9.993) 11.360 36.821 ( -1.150 2.001 2.487) 3.393 37.173 ( -10.421 2.170 38.504) 39.948 39.006 ( -9.070 7.901 0.341) 12.034 ======================= Grid point 3 (4/93) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( 0.428 -0.570 -0.196) 0.739 1.093 ( 1.184 -0.895 -0.901) 1.736 1.656 ( 20.131 -12.147 -0.299) 23.513 1.932 ( -3.028 -4.023 0.485) 5.058 2.077 ( 11.088 -7.727 4.199) 14.152 2.239 ( 2.632 6.153 12.271) 13.978 2.606 ( 4.752 -0.319 -0.994) 4.865 2.757 ( 2.219 -1.069 -9.987) 10.287 2.832 ( -9.080 4.276 2.271) 10.291 3.106 ( -8.397 -1.283 5.243) 9.982 3.344 ( 17.133 -2.972 -6.608) 18.602 3.414 ( 0.811 7.429 -4.703) 8.830 3.492 ( 3.637 2.470 0.615) 4.439 3.537 ( -2.974 1.016 3.697) 4.852 3.661 ( -4.037 -6.203 2.084) 7.689 3.791 ( 1.573 -4.678 1.462) 5.147 3.952 ( 6.382 3.013 4.688) 8.473 4.038 ( -4.850 5.636 -2.253) 7.769 4.181 ( -5.699 -3.774 1.935) 7.104 4.454 ( -10.275 -4.246 -1.237) 11.187 4.474 ( -3.508 -4.234 -5.340) 7.664 4.572 ( 6.926 -0.311 1.989) 7.213 4.735 ( -3.428 3.334 -0.875) 4.862 4.806 ( 6.557 6.568 -1.044) 9.339 4.936 ( -3.036 1.790 2.208) 4.159 5.022 ( 0.441 -4.974 -1.422) 5.192 5.217 ( -6.604 3.173 -8.605) 11.302 5.296 ( -6.682 3.466 0.348) 7.536 5.411 ( -5.169 0.583 0.917) 5.282 5.564 ( -0.540 -2.558 3.098) 4.054 5.619 ( -1.138 1.845 3.314) 3.960 5.848 ( 4.912 -5.115 -2.475) 7.511 6.226 ( -4.398 3.262 1.875) 5.788 6.324 ( -6.441 -1.279 1.805) 6.811 6.659 ( -3.956 1.809 -2.333) 4.936 6.842 ( -3.105 -0.781 -1.728) 3.639 7.026 ( 1.552 2.224 -0.389) 2.740 7.468 ( 3.151 -2.312 3.569) 5.292 7.509 ( -2.213 7.396 -0.092) 7.721 7.834 ( 3.554 1.126 -0.328) 3.742 8.816 ( 0.217 0.634 0.911) 1.131 8.983 ( -3.192 1.703 -2.529) 4.414 9.170 ( 2.964 -1.539 0.776) 3.428 9.391 ( -1.303 1.801 -0.388) 2.256 9.638 ( 12.438 3.861 -2.257) 13.217 9.663 ( 5.808 0.751 1.680) 6.092 9.763 ( 1.632 -0.308 0.669) 1.790 9.885 ( -0.015 -1.184 0.941) 1.512 9.950 ( -2.924 1.763 0.697) 3.485 10.175 ( -6.168 -1.738 2.047) 6.727 10.245 ( -7.122 -0.801 -1.183) 7.264 10.656 ( 1.584 -5.885 -1.034) 6.181 11.408 ( 5.111 1.026 -0.224) 5.217 11.448 ( 6.318 -0.233 0.313) 6.330 11.723 ( 1.571 1.056 -1.071) 2.175 11.838 ( 5.022 -0.716 -0.309) 5.083 12.724 ( -15.019 7.625 -0.240) 16.845 13.108 ( -1.856 0.820 -0.244) 2.044 13.339 ( 0.064 -5.371 0.027) 5.371 13.446 ( -1.951 4.670 0.121) 5.062 13.567 ( 1.090 -2.013 -0.235) 2.301 13.798 ( 10.286 9.167 -0.268) 13.780 13.869 ( 2.732 1.091 2.019) 3.567 14.020 ( -4.413 -7.060 -1.935) 8.548 14.049 ( -5.120 -6.218 0.878) 8.103 14.363 ( -1.580 0.359 0.667) 1.752 14.555 ( -3.497 -1.574 -0.300) 3.846 15.145 ( 6.483 -8.708 0.325) 10.861 15.518 ( 2.881 -7.716 0.526) 8.253 15.609 ( 5.247 -2.544 -2.574) 6.374 15.717 ( -0.299 2.667 0.354) 2.707 15.789 ( -0.736 3.357 0.265) 3.447 16.621 ( 2.826 -2.508 -0.543) 3.817 16.724 ( 1.055 -0.868 -0.821) 1.594 16.738 ( -0.885 1.228 1.118) 1.882 16.981 ( 1.129 2.315 -0.599) 2.644 19.232 ( -3.705 2.263 -1.802) 4.701 19.477 ( -3.121 1.874 0.363) 3.658 20.060 ( 1.294 0.563 -1.307) 1.923 20.517 ( 0.305 -4.369 -0.553) 4.414 21.134 ( 0.788 0.418 -0.175) 0.908 21.675 ( -0.161 0.743 -0.016) 0.760 23.110 ( -0.193 -0.622 -0.490) 0.815 23.611 ( 0.993 0.089 -0.543) 1.135 26.699 ( -0.589 1.047 0.027) 1.201 26.815 ( 0.524 -1.024 0.046) 1.151 29.000 ( -0.154 0.741 -0.382) 0.848 29.650 ( 5.647 -8.082 0.505) 9.872 29.997 ( 11.907 -2.147 0.791) 12.124 30.510 ( -8.543 1.126 0.410) 8.627 30.811 ( -0.695 -1.712 -0.118) 1.851 30.985 ( -2.719 -0.838 -0.003) 2.846 31.077 ( -0.417 -5.776 -8.197) 10.036 31.260 ( 2.510 2.327 -7.223) 7.994 32.241 ( -0.164 0.458 -0.865) 0.992 32.314 ( 1.188 -0.729 -0.134) 1.400 32.629 ( 1.106 0.015 0.547) 1.234 33.157 ( 4.545 0.634 -2.699) 5.323 33.503 ( 0.359 -1.209 -0.918) 1.560 34.081 ( -2.026 2.028 -1.730) 3.349 35.667 ( 3.241 1.403 5.144) 6.240 35.841 ( -2.729 -1.915 -3.888) 5.122 36.134 ( -0.487 0.443 0.392) 0.766 36.260 ( 1.583 0.652 0.485) 1.780 36.733 ( 3.346 -0.816 -5.552) 6.533 36.795 ( -1.716 1.829 3.134) 4.014 37.228 ( -3.683 -1.075 16.128) 16.578 38.793 ( -6.905 6.339 -0.596) 9.392 ======================= Grid point 4 (5/93) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( -0.000 0.000 -0.000) 0.000 1.074 ( 0.000 -0.000 0.000) 0.000 1.778 ( 0.000 -0.000 -0.000) 0.000 1.929 ( 0.000 -0.000 0.000) 0.000 2.297 ( 0.000 -0.000 0.000) 0.000 2.464 ( 0.000 -0.000 0.000) 0.000 2.494 ( -0.000 0.000 -0.000) 0.000 2.600 ( 0.000 -0.000 0.000) 0.000 2.904 ( 0.000 -0.000 0.000) 0.000 3.005 ( 0.000 0.000 -0.000) 0.000 3.320 ( 0.000 0.000 -0.000) 0.000 3.424 ( 0.000 -0.000 0.000) 0.000 3.490 ( 0.000 -0.000 0.000) 0.000 3.650 ( 0.000 -0.000 0.000) 0.000 3.691 ( 0.000 0.000 0.000) 0.000 3.803 ( 0.000 0.000 0.000) 0.000 3.969 ( 0.000 -0.000 -0.000) 0.000 4.017 ( 0.000 0.000 0.000) 0.000 4.182 ( 0.000 -0.000 -0.000) 0.000 4.309 ( 0.000 -0.000 -0.000) 0.000 4.466 ( 0.000 -0.000 -0.000) 0.000 4.663 ( 0.000 -0.000 0.000) 0.000 4.694 ( 0.000 0.000 0.000) 0.000 4.832 ( 0.000 -0.000 0.000) 0.000 4.919 ( 0.000 -0.000 0.000) 0.000 5.048 ( 0.000 0.000 0.000) 0.000 5.096 ( 0.000 -0.000 0.000) 0.000 5.202 ( 0.000 -0.000 0.000) 0.000 5.359 ( 0.000 -0.000 0.000) 0.000 5.596 ( 0.000 -0.000 0.000) 0.000 5.618 ( 0.000 -0.000 0.000) 0.000 5.923 ( 0.000 -0.000 -0.000) 0.000 6.170 ( 0.000 -0.000 0.000) 0.000 6.284 ( 0.000 0.000 0.000) 0.000 6.602 ( 0.000 -0.000 0.000) 0.000 6.820 ( 0.000 -0.000 0.000) 0.000 7.027 ( 0.000 -0.000 -0.000) 0.000 7.441 ( 0.000 -0.000 0.000) 0.000 7.522 ( 0.000 -0.000 0.000) 0.000 7.859 ( 0.000 -0.000 0.000) 0.000 8.826 ( 0.000 -0.000 0.000) 0.000 8.924 ( 0.000 -0.000 0.000) 0.000 9.219 ( 0.000 -0.000 0.000) 0.000 9.358 ( 0.000 -0.000 0.000) 0.000 9.675 ( 0.000 -0.000 0.000) 0.000 9.727 ( 0.000 -0.000 0.000) 0.000 9.858 ( 0.000 0.000 0.000) 0.000 9.860 ( -0.000 -0.000 -0.000) 0.000 9.917 ( 0.000 -0.000 0.000) 0.000 10.136 ( 0.000 -0.000 0.000) 0.000 10.166 ( 0.000 -0.000 0.000) 0.000 10.702 ( 0.000 -0.000 0.000) 0.000 11.445 ( 0.000 -0.000 0.000) 0.000 11.523 ( 0.000 -0.000 -0.000) 0.000 11.723 ( 0.000 -0.000 0.000) 0.000 11.882 ( 0.000 -0.000 0.000) 0.000 12.539 ( 0.000 -0.000 0.000) 0.000 13.089 ( 0.000 -0.000 0.000) 0.000 13.376 ( 0.000 -0.000 0.000) 0.000 13.395 ( 0.000 0.000 -0.000) 0.000 13.589 ( 0.000 0.000 0.000) 0.000 13.837 ( 0.000 -0.000 0.000) 0.000 13.906 ( -0.000 -0.000 0.000) 0.000 13.982 ( 0.000 0.000 0.000) 0.000 14.069 ( 0.000 -0.000 0.000) 0.000 14.340 ( 0.000 -0.000 0.000) 0.000 14.526 ( 0.000 -0.000 0.000) 0.000 15.248 ( 0.000 -0.000 0.000) 0.000 15.610 ( 0.000 0.000 -0.000) 0.000 15.676 ( 0.000 -0.000 0.000) 0.000 15.688 ( 0.000 -0.000 0.000) 0.000 15.736 ( 0.000 0.000 0.000) 0.000 16.683 ( 0.000 -0.000 -0.000) 0.000 16.698 ( -0.000 0.000 0.000) 0.000 16.739 ( 0.000 -0.000 0.000) 0.000 16.976 ( 0.000 -0.000 0.000) 0.000 19.184 ( 0.000 -0.000 0.000) 0.000 19.442 ( 0.000 -0.000 -0.000) 0.000 20.064 ( 0.000 -0.000 0.000) 0.000 20.540 ( 0.000 -0.000 0.000) 0.000 21.138 ( 0.000 -0.000 0.000) 0.000 21.669 ( 0.000 -0.000 0.000) 0.000 23.111 ( 0.000 -0.000 0.000) 0.000 23.618 ( 0.000 -0.000 -0.000) 0.000 26.688 ( 0.000 -0.000 0.000) 0.000 26.825 ( 0.000 -0.000 0.000) 0.000 28.993 ( 0.000 -0.000 0.000) 0.000 29.753 ( 0.000 -0.000 0.000) 0.000 30.114 ( 0.000 -0.000 -0.000) 0.000 30.419 ( 0.000 -0.000 0.000) 0.000 30.813 ( 0.000 -0.000 0.000) 0.000 30.967 ( 0.000 0.000 0.000) 0.000 31.080 ( 0.000 -0.000 0.000) 0.000 31.245 ( 0.000 -0.000 -0.000) 0.000 32.232 ( 0.000 -0.000 0.000) 0.000 32.327 ( 0.000 -0.000 -0.000) 0.000 32.640 ( 0.000 -0.000 0.000) 0.000 33.186 ( 0.000 -0.000 0.000) 0.000 33.509 ( 0.000 -0.000 0.000) 0.000 34.046 ( 0.000 -0.000 0.000) 0.000 35.715 ( 0.000 -0.000 0.000) 0.000 35.804 ( 0.000 -0.000 0.000) 0.000 36.128 ( 0.000 -0.000 0.000) 0.000 36.273 ( 0.000 -0.000 -0.000) 0.000 36.749 ( 0.000 -0.000 -0.000) 0.000 36.778 ( 0.000 -0.000 0.000) 0.000 37.258 ( 0.000 -0.000 0.000) 0.000 38.697 ( 0.000 -0.000 -0.000) 0.000 ======================= Grid point 10 (6/93) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.947 ( 19.127 0.000 -1.696) 19.202 0.998 ( 13.912 0.000 21.801) 25.862 1.144 ( 13.501 0.000 1.389) 13.572 1.194 ( 5.259 0.000 11.222) 12.393 1.603 ( 29.299 0.000 15.530) 33.160 2.451 ( 15.743 0.000 -11.755) 19.648 2.526 ( 4.574 0.000 -15.824) 16.472 2.916 ( 9.167 0.000 12.065) 15.153 2.983 ( -11.516 -0.000 -11.260) 16.106 3.051 ( -0.457 -0.000 3.242) 3.274 3.097 ( -0.055 -0.000 11.659) 11.659 3.362 ( 7.061 0.000 -7.030) 9.964 3.374 ( 13.979 0.000 -4.105) 14.570 3.522 ( 2.678 0.000 0.337) 2.699 3.725 ( -4.279 -0.000 -2.949) 5.197 3.798 ( -14.344 -0.000 5.864) 15.496 4.001 ( 4.420 0.000 -5.928) 7.394 4.028 ( -0.622 -0.000 7.740) 7.765 4.247 ( -13.728 -0.000 5.812) 14.908 4.472 ( 0.171 0.000 -1.754) 1.762 4.573 ( -14.616 -0.000 -1.007) 14.651 4.584 ( -2.054 -0.000 -7.408) 7.688 4.804 ( -1.898 -0.000 -0.684) 2.017 4.812 ( 10.256 0.000 -4.707) 11.284 5.043 ( -1.646 -0.000 7.574) 7.750 5.087 ( -12.079 -0.000 -4.350) 12.839 5.358 ( 3.405 0.000 1.481) 3.713 5.388 ( -1.206 -0.000 -6.262) 6.377 5.498 ( 4.874 0.000 -0.903) 4.957 5.506 ( -14.086 -0.000 0.734) 14.105 5.757 ( -11.138 -0.000 0.481) 11.149 5.850 ( -7.065 -0.000 8.648) 11.166 6.361 ( -17.380 -0.000 7.583) 18.962 6.429 ( -2.159 -0.000 -0.872) 2.329 6.764 ( -3.657 -0.000 -4.396) 5.718 6.934 ( -7.280 -0.000 -3.153) 7.934 7.126 ( 1.284 0.000 -0.555) 1.399 7.280 ( 4.201 0.000 7.383) 8.495 7.702 ( 5.370 0.000 -1.095) 5.481 7.809 ( -0.565 -0.000 0.115) 0.577 8.893 ( -4.350 -0.000 1.630) 4.646 8.993 ( 1.113 0.000 -1.975) 2.267 9.194 ( -2.633 -0.000 1.221) 2.902 9.386 ( 16.564 0.000 3.618) 16.955 9.432 ( 2.678 0.000 -2.000) 3.342 9.493 ( 13.335 0.000 0.114) 13.336 9.844 ( -1.789 -0.000 -5.256) 5.552 9.846 ( -6.174 -0.000 4.341) 7.548 10.096 ( -1.858 -0.000 1.035) 2.126 10.161 ( -3.779 -0.000 -1.656) 4.126 10.357 ( 3.392 0.000 -0.691) 3.461 10.515 ( -10.683 -0.000 0.218) 10.685 11.348 ( 6.734 0.000 0.026) 6.734 11.380 ( 4.154 0.000 0.289) 4.164 11.709 ( 5.805 0.000 -1.322) 5.954 11.720 ( 4.385 0.000 -0.667) 4.435 13.163 ( -7.041 -0.000 0.521) 7.060 13.180 ( -8.571 -0.000 -1.247) 8.661 13.312 ( 0.258 0.000 -1.035) 1.067 13.314 ( -3.498 -0.000 0.259) 3.507 13.718 ( -8.476 -0.000 -1.809) 8.667 13.764 ( -2.591 -0.000 2.002) 3.274 13.920 ( 2.486 0.000 1.195) 2.758 13.939 ( -5.979 -0.000 -0.051) 5.979 14.145 ( 17.729 0.000 2.421) 17.894 14.377 ( 14.391 0.000 -10.630) 17.891 14.459 ( 0.685 0.000 1.953) 2.069 14.544 ( 2.389 0.000 -0.984) 2.584 15.348 ( 0.819 0.000 0.511) 0.966 15.491 ( 7.121 0.000 -6.481) 9.629 15.727 ( 1.318 0.000 0.818) 1.551 15.832 ( 5.002 0.000 0.417) 5.019 16.545 ( 1.429 0.000 -1.207) 1.870 16.705 ( 0.307 0.000 -1.514) 1.544 16.723 ( 2.021 0.000 2.150) 2.951 17.055 ( 1.233 0.000 -7.058) 7.165 19.393 ( -7.439 -0.000 -1.952) 7.691 19.590 ( -5.211 -0.000 0.410) 5.227 20.114 ( 4.777 0.000 -8.542) 9.787 20.305 ( 3.281 0.000 2.143) 3.918 21.133 ( 0.570 0.000 0.291) 0.640 21.698 ( -0.389 -0.000 0.119) 0.407 23.089 ( -1.750 -0.000 2.467) 3.025 23.606 ( 0.475 0.000 -2.168) 2.220 26.754 ( -0.299 -0.000 0.524) 0.604 26.762 ( 0.261 0.000 -0.674) 0.722 29.064 ( 8.142 0.000 3.082) 8.705 29.224 ( 5.149 0.000 -2.940) 5.930 29.713 ( 14.709 0.000 -0.007) 14.709 30.678 ( -1.952 -0.000 2.642) 3.285 30.740 ( -6.461 -0.000 -2.768) 7.029 30.968 ( 2.227 0.000 -18.136) 18.272 31.038 ( -4.250 -0.000 1.443) 4.489 31.352 ( 11.426 0.000 -24.876) 27.375 32.253 ( 3.137 0.000 0.042) 3.137 32.254 ( 0.168 0.000 -0.446) 0.476 32.602 ( 1.648 0.000 1.182) 2.028 33.118 ( 8.963 0.000 -16.333) 18.630 33.463 ( -0.101 -0.000 2.163) 2.166 34.182 ( -2.388 -0.000 -2.631) 3.554 35.614 ( 2.848 0.000 4.304) 5.161 35.863 ( -2.003 -0.000 -2.857) 3.489 36.161 ( -1.520 -0.000 0.891) 1.762 36.259 ( 1.746 0.000 -6.105) 6.350 36.689 ( 6.847 0.000 -13.073) 14.757 36.842 ( 0.181 0.000 -1.332) 1.345 37.234 ( -23.217 -0.000 60.447) 64.752 39.090 ( -10.583 -0.000 0.469) 10.593 ======================= Grid point 11 (7/93) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( 1.588 0.118 -3.203) 3.577 1.117 ( 3.380 3.898 2.147) 5.588 1.510 ( 21.188 -1.893 8.230) 22.809 1.647 ( 17.681 -15.307 15.379) 27.990 2.016 ( 12.594 -0.571 0.522) 12.618 2.439 ( -10.135 8.719 -3.200) 13.747 2.598 ( 9.771 -0.576 -5.312) 11.137 2.717 ( 0.103 -2.982 -11.791) 12.163 2.959 ( -12.122 4.284 1.900) 12.996 3.097 ( 1.253 4.437 13.638) 14.396 3.242 ( 12.426 -7.020 1.177) 14.320 3.444 ( 2.581 -2.129 -5.009) 6.024 3.507 ( -6.264 -0.097 4.843) 7.919 3.530 ( 1.663 -0.461 -1.459) 2.260 3.661 ( 8.443 3.095 -3.563) 9.673 3.782 ( 3.295 0.075 -0.040) 3.296 3.968 ( -5.852 0.820 1.071) 6.006 4.088 ( 1.624 0.460 2.882) 3.340 4.141 ( -2.299 -3.007 3.848) 5.398 4.315 ( -11.502 -2.255 -3.876) 12.345 4.400 ( -10.507 -3.853 -1.770) 11.330 4.582 ( 5.374 0.839 0.454) 5.458 4.783 ( -3.662 0.655 1.991) 4.219 4.876 ( -8.057 -3.247 -2.834) 9.137 4.926 ( 9.690 3.171 -7.021) 12.379 5.015 ( -3.978 1.950 3.236) 5.487 5.270 ( -6.259 1.297 -10.660) 12.429 5.325 ( -9.662 -0.287 2.130) 9.898 5.437 ( 3.363 1.093 3.681) 5.104 5.549 ( 0.196 1.798 0.154) 1.815 5.640 ( -2.948 -2.408 1.231) 4.001 5.773 ( -2.653 -0.311 1.604) 3.116 6.211 ( -7.470 -1.288 4.161) 8.647 6.383 ( -1.655 3.036 1.357) 3.715 6.673 ( -3.554 0.028 -5.541) 6.583 6.835 ( -1.627 -0.088 -3.509) 3.869 7.126 ( 2.599 5.249 -0.080) 5.857 7.413 ( 3.641 -2.555 6.215) 7.643 7.671 ( -3.639 7.195 -0.566) 8.083 7.807 ( -1.478 -3.475 -0.316) 3.789 8.843 ( -1.755 1.230 1.771) 2.780 9.013 ( 1.894 1.055 -2.679) 3.447 9.138 ( -4.054 -1.099 2.686) 4.986 9.403 ( -1.853 -0.826 -1.949) 2.813 9.669 ( 10.269 0.844 -0.518) 10.316 9.673 ( 8.734 0.590 0.174) 8.756 9.769 ( -1.910 0.790 2.461) 3.213 9.838 ( -0.429 -2.830 -0.607) 2.926 10.029 ( -1.937 4.406 0.353) 4.826 10.113 ( -4.683 -3.845 0.952) 6.134 10.305 ( -5.896 5.684 -0.615) 8.213 10.508 ( 5.400 -7.565 -1.929) 9.492 11.428 ( 3.597 0.892 0.065) 3.706 11.443 ( 4.254 -0.412 0.247) 4.281 11.762 ( 2.706 2.380 -0.172) 3.608 11.812 ( 4.893 -1.747 -0.401) 5.211 12.909 ( -14.929 9.806 -0.144) 17.862 13.068 ( -8.202 -4.904 -0.123) 9.557 13.271 ( -0.327 -0.422 0.377) 0.654 13.374 ( -1.644 -8.697 -0.380) 8.859 13.576 ( -3.145 4.433 -0.660) 5.475 13.764 ( -3.451 -6.250 1.148) 7.231 13.885 ( -1.363 0.291 0.291) 1.423 13.970 ( 3.347 -1.601 -0.217) 3.716 14.281 ( 17.232 22.077 -0.876) 28.020 14.415 ( 0.506 4.602 0.668) 4.678 14.510 ( -0.480 -2.019 0.102) 2.078 14.818 ( 11.267 -22.320 -1.600) 25.054 15.419 ( 4.942 -1.903 1.928) 5.636 15.579 ( 6.954 -0.732 -3.982) 8.047 15.739 ( -0.390 0.318 0.989) 1.110 15.868 ( 0.864 2.805 0.239) 2.945 16.585 ( 3.093 -0.894 -0.153) 3.223 16.702 ( 0.219 -0.867 -1.607) 1.839 16.752 ( 0.032 0.221 1.458) 1.475 17.018 ( -0.605 1.089 -3.231) 3.463 19.263 ( -6.244 0.732 -1.319) 6.424 19.502 ( -4.897 0.583 -0.182) 4.935 20.117 ( 3.920 3.758 -4.702) 7.183 20.409 ( 3.388 -5.001 1.499) 6.224 21.140 ( 0.147 0.131 0.198) 0.279 21.686 ( -0.934 0.341 0.310) 1.042 23.086 ( -1.718 -1.121 3.291) 3.878 23.599 ( 0.432 -0.729 -3.075) 3.190 26.734 ( -0.288 2.217 0.016) 2.235 26.781 ( 0.331 -2.125 -0.160) 2.157 29.130 ( 6.977 11.583 0.835) 13.548 29.425 ( 9.219 -14.347 -0.341) 17.057 29.942 ( 10.596 -1.308 1.036) 10.727 30.554 ( -9.358 2.469 -1.091) 9.740 30.723 ( -0.789 -5.695 2.288) 6.188 30.925 ( -0.880 -2.356 -4.608) 5.250 30.999 ( -1.988 -0.651 2.205) 3.040 31.377 ( 11.344 4.425 -18.539) 22.180 32.243 ( -0.870 -0.044 -0.892) 1.246 32.301 ( 2.249 -0.441 0.020) 2.292 32.631 ( 0.706 0.096 1.674) 1.819 33.152 ( 5.162 -0.532 -10.045) 11.306 33.486 ( 0.954 -0.402 1.884) 2.150 34.114 ( -3.065 1.002 -2.571) 4.124 35.696 ( 4.054 1.140 5.129) 6.636 35.806 ( -2.841 -1.231 -4.259) 5.265 36.143 ( -1.314 0.318 1.428) 1.966 36.253 ( 2.286 -0.690 -7.513) 7.884 36.721 ( 4.443 -0.338 -7.084) 8.369 36.827 ( -0.721 0.881 -0.588) 1.282 37.237 ( -12.029 1.140 35.249) 37.263 38.890 ( -11.124 2.698 -1.535) 11.549 ======================= Grid point 12 (8/93) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( 1.985 0.134 0.870) 2.171 1.105 ( -0.478 2.342 -1.668) 2.915 1.826 ( -6.232 3.283 -3.705) 7.959 1.887 ( 16.743 -2.003 2.265) 17.014 2.216 ( 9.440 -6.993 6.817) 13.583 2.383 ( 2.573 -7.904 -2.263) 8.615 2.587 ( -3.503 8.146 1.038) 8.928 2.684 ( -9.247 5.336 -1.878) 10.840 2.785 ( 8.572 -0.934 -4.128) 9.560 3.115 ( -5.187 2.740 13.069) 14.326 3.358 ( -4.060 0.884 -6.266) 7.519 3.418 ( -6.612 -4.511 1.352) 8.118 3.513 ( -4.169 -3.032 -0.439) 5.174 3.583 ( 6.025 -3.326 -1.788) 7.111 3.623 ( 4.421 6.750 -2.686) 8.504 3.814 ( 1.758 -0.886 3.001) 3.589 3.991 ( -3.544 2.534 0.130) 4.359 4.051 ( 1.376 1.031 7.465) 7.661 4.132 ( -7.162 -4.290 0.011) 8.349 4.309 ( 4.217 -6.440 -1.921) 7.934 4.366 ( 7.615 -2.205 -4.205) 8.974 4.611 ( -5.738 -0.561 3.304) 6.646 4.752 ( 3.664 1.121 1.386) 4.075 4.830 ( -6.532 -2.423 -0.959) 7.033 4.941 ( -1.290 2.076 -3.971) 4.663 5.003 ( 3.120 -0.175 -2.504) 4.004 5.090 ( -5.174 -1.790 -2.628) 6.073 5.232 ( 1.356 2.369 -2.074) 3.428 5.444 ( 1.498 6.619 0.626) 6.816 5.580 ( 1.203 -1.527 4.081) 4.520 5.620 ( -1.518 0.352 1.553) 2.200 5.845 ( 4.997 -6.646 -4.210) 9.320 6.155 ( -4.457 0.086 3.765) 5.835 6.352 ( 1.911 3.909 1.485) 4.598 6.595 ( -1.218 -0.456 -5.903) 6.045 6.832 ( 3.079 0.953 -1.936) 3.760 7.104 ( 1.744 6.525 1.393) 6.896 7.502 ( -0.682 0.344 2.580) 2.691 7.510 ( -4.530 3.772 0.639) 5.930 7.805 ( -4.228 -5.084 -0.336) 6.621 8.835 ( 0.427 0.558 1.280) 1.460 8.963 ( -1.929 3.723 0.435) 4.215 9.162 ( -0.098 -4.206 1.223) 4.382 9.380 ( 0.293 -0.413 -2.465) 2.516 9.617 ( -8.438 -0.835 1.093) 8.549 9.716 ( -4.622 -0.965 0.077) 4.722 9.836 ( 0.829 -3.646 -1.008) 3.872 9.849 ( -1.555 0.439 0.321) 1.647 10.006 ( 4.361 4.470 -0.708) 6.285 10.109 ( 1.317 -1.476 -0.233) 1.992 10.218 ( 3.913 4.747 0.923) 6.221 10.650 ( 4.574 -4.528 -1.577) 6.627 11.451 ( -0.313 0.779 0.031) 0.840 11.511 ( 1.585 -1.185 0.270) 1.997 11.754 ( -0.183 2.728 0.878) 2.871 11.868 ( -0.091 -1.415 -0.008) 1.418 12.617 ( -6.957 7.359 0.097) 10.127 13.014 ( -6.349 -7.566 0.047) 9.877 13.289 ( 0.197 -3.014 0.258) 3.032 13.413 ( -4.761 -9.436 0.003) 10.569 13.513 ( 0.912 5.294 -0.357) 5.384 13.782 ( -2.573 -5.189 -0.170) 5.795 13.881 ( 1.765 2.410 1.104) 3.185 14.035 ( 1.625 -1.904 -0.507) 2.554 14.320 ( 13.951 18.057 -1.254) 22.853 14.385 ( 2.905 5.553 0.664) 6.302 14.519 ( 1.884 0.210 -0.101) 1.898 15.132 ( 5.340 -11.716 -0.214) 12.878 15.531 ( 3.601 -2.679 2.043) 4.931 15.672 ( 5.534 -1.589 -2.398) 6.237 15.721 ( -1.378 1.539 0.502) 2.126 15.815 ( -1.677 5.437 0.162) 5.692 16.647 ( 2.960 -1.530 -0.082) 3.333 16.709 ( -0.803 -1.647 -0.149) 1.838 16.737 ( -1.327 1.020 0.028) 1.674 16.978 ( -1.979 0.078 -1.259) 2.347 19.181 ( -2.932 -0.197 0.406) 2.967 19.437 ( -2.393 -0.425 -0.783) 2.554 20.111 ( 2.940 3.965 -2.407) 5.492 20.510 ( 2.952 -2.707 1.289) 4.208 21.137 ( -0.728 -0.125 0.298) 0.797 21.670 ( -1.104 0.006 0.443) 1.189 23.093 ( -1.749 -1.336 3.604) 4.223 23.596 ( -0.256 -1.800 -3.055) 3.555 26.709 ( -0.014 1.941 -0.074) 1.943 26.805 ( 0.153 -1.813 -0.062) 1.820 29.112 ( 5.522 11.272 -0.074) 12.552 29.712 ( 10.268 -8.139 0.127) 13.103 30.021 ( -4.211 -1.941 0.294) 4.646 30.426 ( -4.702 -2.934 0.923) 5.619 30.788 ( 1.294 -1.750 2.334) 3.191 30.920 ( -1.059 -3.030 -1.192) 3.424 31.028 ( 1.926 -0.243 5.542) 5.872 31.396 ( 10.403 8.221 -10.339) 16.814 32.223 ( -1.196 -0.723 -0.612) 1.526 32.329 ( 1.093 0.216 -0.068) 1.117 32.641 ( -0.503 0.184 1.705) 1.787 33.160 ( 0.361 -2.020 -6.730) 7.036 33.516 ( 1.265 0.520 1.534) 2.056 34.051 ( -1.940 0.396 -1.107) 2.268 35.716 ( -2.265 0.081 -3.944) 4.549 35.807 ( 3.531 0.189 3.042) 4.665 36.132 ( -0.834 0.344 1.806) 2.019 36.246 ( 1.039 -2.062 -8.441) 8.752 36.743 ( 2.324 -0.176 -4.402) 4.981 36.800 ( -1.661 1.242 2.051) 2.917 37.266 ( -4.469 0.696 18.172) 18.727 38.704 ( -6.860 0.597 -2.891) 7.468 ======================= Grid point 13 (9/93) ======================= q-point: (-0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( -0.006 1.805 -1.065) 2.096 1.106 ( 2.074 0.173 1.622) 2.638 1.832 ( 6.848 -7.711 3.454) 10.876 1.968 ( -10.952 16.734 3.913) 20.378 2.114 ( -6.826 -0.533 -5.716) 8.919 2.342 ( -4.900 8.083 -11.437) 14.837 2.599 ( 4.208 -1.772 4.173) 6.186 2.758 ( 12.109 0.763 5.967) 13.521 2.878 ( -2.190 2.980 -5.918) 6.979 3.031 ( 0.913 -3.198 2.610) 4.228 3.266 ( -6.827 -5.544 2.321) 9.095 3.386 ( -0.071 -1.194 -1.410) 1.849 3.452 ( -8.897 1.917 -2.835) 9.532 3.590 ( 2.711 -9.252 -2.299) 9.912 3.632 ( -3.435 4.601 -2.153) 6.132 3.866 ( 1.556 1.195 3.873) 4.341 3.914 ( -1.736 0.407 0.470) 1.844 4.048 ( 0.861 4.731 0.195) 4.813 4.176 ( 0.508 -5.548 6.180) 8.320 4.455 ( 5.440 -0.511 5.787) 7.959 4.491 ( 3.465 -3.470 -6.442) 8.097 4.568 ( 0.852 -0.625 1.351) 1.715 4.672 ( -7.873 -1.364 -4.720) 9.280 4.776 ( 0.308 2.346 -0.006) 2.366 4.874 ( -2.262 -3.805 -2.341) 5.007 5.053 ( 2.002 -2.127 2.198) 3.656 5.171 ( 5.268 -3.866 4.867) 8.147 5.272 ( 6.388 3.849 -2.188) 7.772 5.429 ( 4.912 2.509 -0.981) 5.602 5.601 ( -0.408 0.071 -0.157) 0.443 5.619 ( 0.682 1.680 -0.374) 1.851 5.916 ( -0.683 0.248 -0.588) 0.935 6.128 ( -0.568 -3.043 1.317) 3.364 6.394 ( 6.974 2.978 -0.298) 7.589 6.600 ( 3.661 -3.357 -4.256) 6.541 6.877 ( 5.432 2.657 0.677) 6.084 7.072 ( 0.969 6.133 2.074) 6.547 7.408 ( -3.018 -1.652 0.254) 3.450 7.506 ( -2.025 0.987 -0.667) 2.349 7.767 ( -6.688 -5.191 -0.145) 8.467 8.837 ( -0.120 2.553 -0.236) 2.567 8.945 ( 0.955 -1.868 3.677) 4.233 9.170 ( -4.930 -1.658 0.579) 5.233 9.388 ( 3.458 1.896 -1.080) 4.089 9.507 ( -11.789 -7.200 1.321) 13.877 9.624 ( -5.862 -2.962 -3.610) 7.495 9.764 ( -5.833 -0.514 1.064) 5.952 9.835 ( -5.821 -4.211 -0.466) 7.199 10.034 ( 5.904 6.952 -0.293) 9.125 10.183 ( 7.172 -0.047 -2.595) 7.628 10.312 ( 9.671 4.251 1.586) 10.682 10.715 ( 1.798 -0.283 -0.643) 1.931 11.394 ( -6.310 -0.123 0.240) 6.316 11.462 ( -7.306 1.220 0.125) 7.408 11.725 ( -1.885 1.163 1.341) 2.589 11.839 ( -4.870 -0.642 0.547) 4.942 12.624 ( 10.829 -1.822 0.284) 10.985 13.019 ( -2.933 -8.175 0.192) 8.687 13.341 ( 1.173 -4.229 -0.558) 4.424 13.422 ( -4.010 -7.070 0.794) 8.167 13.472 ( 0.565 5.308 -0.204) 5.342 13.767 ( -2.157 0.320 -0.353) 2.209 13.887 ( 1.177 2.490 -0.762) 2.858 14.045 ( -1.228 -0.310 1.268) 1.792 14.353 ( 11.453 14.083 -1.924) 18.254 14.398 ( 3.509 4.222 0.287) 5.497 14.589 ( 8.590 3.395 0.445) 9.248 15.206 ( -3.591 -1.513 -0.380) 3.916 15.592 ( -0.813 -1.944 1.432) 2.548 15.663 ( -3.093 1.961 -0.395) 3.683 15.742 ( 2.842 7.090 -0.507) 7.655 15.751 ( 1.677 -0.879 0.105) 1.896 16.673 ( -2.752 2.158 0.959) 3.627 16.705 ( 2.072 -1.795 -0.533) 2.793 16.722 ( -1.165 -1.177 -0.464) 1.720 16.939 ( -2.983 -1.614 -0.907) 3.510 19.182 ( 0.380 -2.353 2.113) 3.186 19.432 ( 0.764 -2.370 -1.098) 2.721 20.100 ( 1.945 3.936 -0.890) 4.479 20.571 ( 2.645 1.040 1.327) 3.137 21.124 ( -1.566 -0.578 0.473) 1.735 21.660 ( -0.777 -0.650 0.447) 1.107 23.099 ( -2.252 -1.543 3.823) 4.698 23.586 ( -1.319 -2.218 -2.409) 3.530 26.698 ( 0.610 0.990 -0.106) 1.168 26.817 ( -0.355 -0.804 -0.078) 0.882 29.091 ( 5.087 9.146 0.074) 10.466 29.813 ( 0.550 8.826 -0.634) 8.866 29.930 ( -10.384 -8.732 -1.672) 13.670 30.484 ( 4.880 -3.929 3.793) 7.323 30.822 ( 0.803 0.131 1.396) 1.616 30.938 ( -0.884 -4.200 0.882) 4.381 31.105 ( 2.449 2.656 9.569) 10.228 31.419 ( 10.115 11.163 -3.567) 15.481 32.219 ( -0.798 -1.669 0.484) 1.912 32.331 ( -0.131 0.924 -0.130) 0.942 32.634 ( -1.156 0.522 1.017) 1.626 33.117 ( -4.483 -3.165 -4.092) 6.846 33.531 ( 0.455 1.404 1.776) 2.310 34.043 ( 0.379 -1.558 0.696) 1.748 35.645 ( -2.755 -0.749 -5.523) 6.217 35.877 ( 3.477 1.613 3.100) 4.930 36.129 ( -0.616 -0.027 0.650) 0.896 36.217 ( -1.138 -3.206 -9.007) 9.628 36.742 ( -0.097 0.053 -1.834) 1.837 36.782 ( -1.034 0.562 2.602) 2.856 37.280 ( -0.567 3.476 4.082) 5.391 38.661 ( 0.274 -6.142 -1.877) 6.428 ======================= Grid point 14 (10/93) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( -0.253 3.189 -1.074) 3.374 1.086 ( -4.010 2.099 0.912) 4.617 1.516 ( -18.898 20.183 4.552) 28.021 1.767 ( -17.520 12.643 -8.192) 23.106 2.119 ( -4.255 16.845 -7.770) 19.033 2.233 ( 14.817 -8.042 1.086) 16.894 2.522 ( -2.690 0.031 -5.642) 6.250 2.799 ( -1.596 4.427 1.748) 5.020 2.886 ( 3.932 3.970 2.559) 6.146 3.120 ( -15.727 1.068 7.837) 17.603 3.195 ( 4.610 -7.089 -1.046) 8.520 3.354 ( -2.307 -6.872 -2.644) 7.716 3.448 ( 2.655 -4.249 -0.818) 5.077 3.540 ( -5.660 3.555 -7.638) 10.149 3.641 ( 0.234 -0.549 3.616) 3.665 3.857 ( 0.249 7.309 1.450) 7.455 3.924 ( 2.736 1.577 2.289) 3.900 4.049 ( 7.171 -4.784 -5.468) 10.208 4.312 ( 5.470 -4.927 3.890) 8.326 4.438 ( -4.072 -0.846 -2.195) 4.703 4.512 ( -8.941 -4.129 9.662) 13.796 4.618 ( 3.408 4.326 1.013) 5.599 4.650 ( 2.188 -5.457 -3.066) 6.631 4.804 ( 6.258 -2.885 -3.333) 7.655 4.943 ( 3.393 -5.315 0.643) 6.338 5.053 ( -0.920 3.027 -0.722) 3.245 5.306 ( 2.345 -0.582 -1.972) 3.119 5.356 ( 4.546 -5.027 9.997) 12.078 5.482 ( -0.718 2.366 -0.229) 2.483 5.567 ( 0.995 -1.434 -6.414) 6.647 5.663 ( 9.048 0.170 -1.188) 9.127 5.840 ( -3.545 5.068 2.244) 6.579 6.219 ( 4.258 -5.952 0.522) 7.336 6.499 ( 9.338 1.221 -1.970) 9.621 6.689 ( 4.055 -4.494 -4.676) 7.648 6.963 ( 5.148 3.177 5.451) 8.143 7.054 ( 4.505 5.065 1.539) 6.951 7.409 ( -3.281 -1.415 -2.416) 4.314 7.457 ( 0.346 -2.565 -1.458) 2.971 7.709 ( -6.373 -5.298 -0.074) 8.288 8.806 ( -0.480 0.195 0.054) 0.521 9.026 ( 0.299 -3.163 3.873) 5.010 9.057 ( -8.768 -0.503 -0.206) 8.784 9.380 ( -7.206 -2.056 -1.640) 7.671 9.441 ( -1.048 -1.457 1.187) 2.152 9.520 ( -6.023 0.093 -2.615) 6.567 9.721 ( -8.225 -6.166 0.999) 10.328 9.805 ( 1.318 -5.675 -1.399) 5.992 10.041 ( 3.261 6.169 0.630) 7.006 10.267 ( 5.401 1.882 -2.771) 6.356 10.407 ( 6.154 4.218 0.335) 7.468 10.735 ( 4.500 4.050 0.197) 6.057 11.278 ( -8.813 -1.392 0.700) 8.950 11.329 ( -7.522 -1.292 -0.125) 7.633 11.681 ( -4.215 -0.577 0.782) 4.326 11.749 ( -6.541 0.228 1.731) 6.770 12.909 ( 15.743 -6.832 0.279) 17.164 13.090 ( 1.980 -6.778 0.326) 7.068 13.345 ( -3.366 -0.925 -0.026) 3.491 13.424 ( -2.136 0.858 0.266) 2.318 13.498 ( 5.789 -3.763 0.239) 6.909 13.712 ( -1.098 4.514 -0.129) 4.648 13.861 ( -0.452 1.568 -1.398) 2.148 14.032 ( -0.781 1.455 1.025) 1.944 14.353 ( 5.092 11.203 -2.175) 12.497 14.398 ( 0.446 4.255 1.414) 4.506 14.674 ( 6.892 7.664 -1.212) 10.378 15.118 ( -2.482 2.925 0.273) 3.846 15.521 ( -4.569 5.597 0.419) 7.237 15.643 ( -0.466 -1.862 0.824) 2.089 15.718 ( 3.624 8.006 2.646) 9.178 15.770 ( -0.608 0.029 -0.726) 0.947 16.617 ( -1.436 2.628 0.628) 3.060 16.701 ( -2.216 -0.728 0.257) 2.347 16.731 ( 0.018 -0.334 -0.897) 0.957 16.900 ( -4.653 -3.455 -1.081) 5.895 19.263 ( 2.913 -5.117 2.681) 6.470 19.487 ( 2.453 -4.185 -1.095) 4.973 20.082 ( 0.934 3.868 0.180) 3.983 20.594 ( 2.961 4.786 2.003) 5.973 21.108 ( -1.697 -1.061 0.482) 2.059 21.666 ( 0.143 -1.211 0.428) 1.292 23.099 ( -3.076 -2.053 3.807) 5.308 23.572 ( -1.655 -2.318 -1.404) 3.175 26.707 ( 1.258 0.006 -0.105) 1.262 26.809 ( -0.869 0.239 -0.118) 0.909 29.099 ( 6.206 7.125 0.306) 9.454 29.677 ( -3.591 7.335 -0.595) 8.188 29.776 ( -12.670 1.507 -1.279) 12.823 30.643 ( 7.669 -0.163 2.171) 7.972 30.835 ( 0.670 0.979 1.075) 1.601 30.999 ( 0.784 -5.105 4.601) 6.917 31.164 ( -0.638 3.306 14.827) 15.205 31.451 ( 10.653 13.478 0.693) 17.193 32.230 ( -0.883 -1.606 1.243) 2.214 32.307 ( -1.167 1.448 -0.019) 1.859 32.599 ( -2.978 0.667 -0.687) 3.128 33.057 ( -5.126 -4.069 0.805) 6.594 33.524 ( -0.870 1.669 2.046) 2.780 34.093 ( 1.481 -3.200 1.586) 3.866 35.582 ( -1.892 -0.678 -4.633) 5.050 35.918 ( 1.645 1.836 2.327) 3.390 36.102 ( -3.020 -3.060 -7.368) 8.531 36.178 ( -0.993 -2.418 -5.007) 5.648 36.718 ( -2.256 0.477 1.894) 2.985 36.789 ( 0.512 -0.694 0.371) 0.939 37.222 ( 1.292 6.303 -8.142) 10.377 38.798 ( 5.141 -11.892 -0.689) 12.974 ======================= Grid point 15 (11/93) ======================= q-point: (-0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.868 ( -12.871 8.311 -2.935) 15.600 0.935 ( -9.286 15.316 0.276) 17.913 1.107 ( -11.632 16.471 1.268) 20.204 1.304 ( -11.671 19.161 -0.804) 22.450 1.552 ( -12.846 29.384 -22.149) 38.974 2.514 ( 2.805 1.282 9.305) 9.803 2.583 ( 1.910 -2.133 6.659) 7.248 2.722 ( 1.382 3.246 -4.855) 6.001 2.843 ( -2.650 2.711 -1.445) 4.057 2.975 ( -6.937 3.286 3.881) 8.601 3.186 ( -8.896 4.157 -4.691) 10.882 3.335 ( -3.072 -6.482 -1.602) 7.350 3.364 ( 0.280 -1.265 1.752) 2.179 3.487 ( 0.670 7.282 -1.709) 7.510 3.788 ( 4.457 -8.095 1.817) 9.418 3.807 ( 2.631 4.963 0.060) 5.617 3.983 ( 6.957 -3.008 -0.055) 7.580 4.268 ( 8.278 -12.096 -5.337) 15.599 4.380 ( -4.257 -3.167 2.650) 5.931 4.443 ( -7.971 -3.487 6.074) 10.611 4.453 ( 5.812 5.263 1.660) 8.014 4.639 ( 2.506 -0.204 2.059) 3.250 4.724 ( 0.256 -5.466 -0.479) 5.493 4.887 ( 1.327 -0.954 -2.382) 2.889 4.993 ( -2.080 -1.356 -3.875) 4.603 5.078 ( 5.246 -3.929 2.612) 7.055 5.328 ( -1.906 -3.622 -0.384) 4.111 5.362 ( -7.548 0.946 -4.380) 8.777 5.484 ( 6.252 1.551 -2.153) 6.792 5.628 ( 0.301 -2.223 2.654) 3.475 5.747 ( 1.896 3.122 2.462) 4.405 5.879 ( 9.894 -5.768 -0.624) 11.470 6.369 ( 6.153 -4.604 1.710) 7.873 6.619 ( 5.521 -1.618 -2.319) 6.203 6.727 ( -1.151 -4.924 -5.691) 7.613 6.981 ( 1.444 5.853 4.873) 7.751 7.185 ( 9.777 0.984 3.884) 10.566 7.353 ( 3.675 3.173 -5.775) 7.545 7.469 ( -5.634 -4.491 0.124) 7.206 7.693 ( -2.925 -5.932 -0.078) 6.615 8.836 ( 1.340 -3.788 1.018) 4.145 8.949 ( -5.266 -3.105 -1.400) 6.272 9.028 ( -3.291 -0.562 0.428) 3.366 9.265 ( -13.856 1.557 -0.297) 13.946 9.309 ( -2.713 1.041 -0.893) 3.040 9.496 ( 0.572 2.196 0.636) 2.357 9.707 ( -4.109 -9.233 1.072) 10.163 9.914 ( 5.279 -5.718 -3.224) 8.424 10.030 ( -0.563 2.027 2.689) 3.414 10.258 ( -0.331 5.207 -0.525) 5.244 10.439 ( 3.237 2.333 -2.341) 4.626 10.791 ( 7.745 6.487 0.797) 10.134 11.164 ( -7.307 -2.006 0.511) 7.594 11.266 ( -4.253 -4.405 -0.244) 6.128 11.619 ( -4.430 -1.898 0.370) 4.834 11.676 ( -3.468 0.497 2.163) 4.117 13.175 ( 6.035 -7.087 -0.153) 9.310 13.215 ( 6.514 -3.557 0.607) 7.447 13.306 ( -0.941 0.201 1.050) 1.424 13.382 ( -1.792 1.611 0.090) 2.411 13.658 ( 7.985 -3.610 -0.321) 8.769 13.659 ( 2.499 5.854 0.043) 6.365 13.831 ( -1.598 0.366 -0.370) 1.680 13.993 ( -4.545 1.116 -0.098) 4.681 14.209 ( -8.083 7.326 -1.400) 10.999 14.347 ( -0.194 7.346 1.933) 7.598 14.630 ( 3.730 13.080 -2.607) 13.849 15.148 ( 7.631 2.908 1.984) 8.404 15.398 ( -3.254 4.941 0.254) 5.921 15.644 ( -3.652 -3.248 -0.202) 4.891 15.730 ( -2.319 1.492 -0.303) 2.774 15.775 ( 12.791 10.622 8.495) 18.671 16.591 ( 0.509 1.690 0.579) 1.858 16.666 ( -2.935 -0.252 -0.957) 3.097 16.714 ( -0.794 0.358 -0.476) 0.992 16.822 ( -10.076 -3.979 -1.110) 10.890 19.393 ( 3.152 -6.770 1.759) 7.672 19.567 ( 1.903 -5.114 -0.772) 5.510 20.053 ( -0.080 3.699 0.742) 3.774 20.609 ( 4.597 6.674 3.498) 8.827 21.100 ( -0.961 -1.311 0.184) 1.636 21.695 ( 1.447 -1.332 0.519) 2.034 23.088 ( -3.730 -2.689 2.840) 5.405 23.570 ( -0.742 -2.423 -0.325) 2.555 26.733 ( 1.608 -0.374 -0.051) 1.652 26.787 ( -1.183 0.640 -0.123) 1.350 29.154 ( 8.995 6.323 0.189) 10.997 29.521 ( -13.137 4.163 0.488) 13.789 29.586 ( 2.639 7.381 -1.120) 7.918 30.726 ( 3.450 2.152 -0.199) 4.071 30.839 ( 0.477 1.012 0.645) 1.291 31.104 ( 4.282 -0.835 2.287) 4.926 31.213 ( -5.967 -0.284 24.461) 25.180 31.508 ( 11.872 14.814 7.080) 20.261 32.227 ( -1.230 -0.013 0.585) 1.362 32.272 ( -1.226 1.524 0.780) 2.106 32.513 ( -6.358 -1.272 -3.160) 7.213 33.073 ( -0.968 -3.357 8.611) 9.293 33.496 ( -2.216 1.180 1.870) 3.130 34.159 ( 1.089 -3.598 1.239) 3.958 35.545 ( -0.567 -0.416 -2.445) 2.544 35.915 ( -3.062 -1.067 -1.922) 3.769 35.994 ( -5.454 -4.175 -14.888) 16.396 36.172 ( 0.049 -0.939 -1.155) 1.489 36.693 ( -2.383 0.444 3.951) 4.635 36.811 ( 0.863 -0.984 0.086) 1.312 37.102 ( 2.492 6.952 -18.120) 19.567 39.008 ( 4.637 -12.886 -0.568) 13.706 ======================= Grid point 16 (12/93) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.526 ( -0.000 20.584 0.000) 20.584 0.605 ( -0.000 28.170 0.000) 28.170 0.727 ( -0.000 20.897 0.000) 20.897 0.848 ( -0.000 41.384 0.000) 41.384 1.242 ( -0.000 6.315 0.000) 6.315 2.465 ( -0.000 13.093 0.000) 13.093 2.601 ( -0.000 4.656 0.000) 4.656 2.689 ( 0.000 -0.183 -0.000) 0.183 2.801 ( 0.000 -2.018 -0.000) 2.018 2.815 ( -0.000 11.000 0.000) 11.000 3.165 ( 0.000 -9.583 -0.000) 9.583 3.334 ( -0.000 9.313 0.000) 9.313 3.387 ( 0.000 -2.389 -0.000) 2.389 3.423 ( 0.000 -2.568 -0.000) 2.568 3.815 ( -0.000 0.081 0.000) 0.081 3.906 ( 0.000 -5.646 -0.000) 5.646 4.118 ( 0.000 -4.255 -0.000) 4.255 4.404 ( 0.000 -4.057 -0.000) 4.057 4.409 ( 0.000 -5.365 -0.000) 5.365 4.420 ( 0.000 -2.016 -0.000) 2.016 4.454 ( -0.000 4.139 0.000) 4.139 4.727 ( 0.000 -8.031 -0.000) 8.031 4.758 ( 0.000 -3.933 -0.000) 3.933 4.876 ( 0.000 -0.397 -0.000) 0.397 4.962 ( 0.000 -0.581 -0.000) 0.581 5.171 ( -0.000 7.081 0.000) 7.081 5.212 ( 0.000 -5.767 -0.000) 5.767 5.341 ( 0.000 -3.453 -0.000) 3.453 5.522 ( -0.000 5.885 0.000) 5.885 5.571 ( -0.000 3.298 0.000) 3.298 5.805 ( 0.000 -1.896 -0.000) 1.896 6.068 ( 0.000 -8.215 -0.000) 8.215 6.476 ( 0.000 -3.007 -0.000) 3.007 6.631 ( -0.000 1.625 0.000) 1.625 6.750 ( 0.000 -7.602 -0.000) 7.602 6.972 ( -0.000 3.615 0.000) 3.615 7.303 ( -0.000 8.127 0.000) 8.127 7.351 ( 0.000 -3.846 -0.000) 3.846 7.429 ( 0.000 -2.883 -0.000) 2.883 7.714 ( 0.000 -4.515 -0.000) 4.515 8.913 ( 0.000 -3.769 -0.000) 3.769 8.931 ( 0.000 -4.517 -0.000) 4.517 8.972 ( -0.000 2.157 0.000) 2.157 9.130 ( 0.000 -1.957 -0.000) 1.957 9.270 ( -0.000 2.733 0.000) 2.733 9.467 ( -0.000 4.209 0.000) 4.209 9.747 ( 0.000 -6.462 -0.000) 6.462 9.999 ( -0.000 2.306 0.000) 2.306 10.036 ( 0.000 -7.393 -0.000) 7.393 10.191 ( -0.000 4.838 0.000) 4.838 10.436 ( -0.000 1.365 0.000) 1.365 10.804 ( -0.000 6.626 0.000) 6.626 11.117 ( 0.000 -1.247 -0.000) 1.247 11.278 ( 0.000 -4.856 -0.000) 4.856 11.610 ( 0.000 -2.878 -0.000) 2.878 11.650 ( -0.000 0.886 0.000) 0.886 13.252 ( 0.000 -3.301 -0.000) 3.301 13.297 ( 0.000 -0.739 -0.000) 0.739 13.337 ( -0.000 2.354 0.000) 2.354 13.359 ( 0.000 -4.399 -0.000) 4.399 13.661 ( -0.000 10.051 0.000) 10.051 13.762 ( -0.000 1.031 0.000) 1.031 13.774 ( 0.000 -1.104 -0.000) 1.104 13.851 ( 0.000 -0.763 -0.000) 0.763 14.130 ( -0.000 0.671 0.000) 0.671 14.280 ( -0.000 5.653 0.000) 5.653 14.500 ( -0.000 15.599 0.000) 15.599 15.254 ( 0.000 -1.215 -0.000) 1.215 15.325 ( -0.000 2.859 0.000) 2.859 15.626 ( 0.000 -2.144 -0.000) 2.144 15.689 ( -0.000 1.447 0.000) 1.447 15.973 ( -0.000 1.488 0.000) 1.488 16.580 ( 0.000 -1.212 -0.000) 1.212 16.622 ( -0.000 1.811 0.000) 1.811 16.663 ( -0.000 2.835 0.000) 2.835 16.708 ( -0.000 0.038 0.000) 0.038 19.492 ( 0.000 -5.766 -0.000) 5.766 19.631 ( 0.000 -4.644 -0.000) 4.644 20.016 ( -0.000 3.258 0.000) 3.258 20.639 ( -0.000 3.113 0.000) 3.113 21.106 ( 0.000 -1.084 -0.000) 1.084 21.734 ( 0.000 -1.590 -0.000) 1.590 23.084 ( 0.000 -2.321 -0.000) 2.321 23.589 ( 0.000 -2.018 -0.000) 2.018 26.757 ( 0.000 -0.020 -0.000) 0.020 26.764 ( -0.000 0.217 0.000) 0.217 29.200 ( -0.000 7.493 0.000) 7.493 29.361 ( -0.000 0.630 0.000) 0.630 29.598 ( -0.000 1.500 0.000) 1.500 30.726 ( -0.000 2.208 0.000) 2.208 30.838 ( -0.000 0.528 0.000) 0.528 31.139 ( -0.000 1.485 0.000) 1.485 31.280 ( 0.000 -4.116 -0.000) 4.116 31.580 ( -0.000 9.925 0.000) 9.925 32.218 ( -0.000 0.275 0.000) 0.275 32.250 ( -0.000 1.478 0.000) 1.478 32.420 ( 0.000 -0.930 -0.000) 0.930 33.170 ( 0.000 -3.701 -0.000) 3.701 33.463 ( -0.000 0.574 0.000) 0.574 34.207 ( 0.000 -2.915 -0.000) 2.915 35.542 ( 0.000 -0.111 -0.000) 0.111 35.770 ( 0.000 -0.831 -0.000) 0.831 35.931 ( -0.000 2.051 0.000) 2.051 36.177 ( 0.000 -0.645 -0.000) 0.645 36.686 ( -0.000 0.034 0.000) 0.034 36.832 ( 0.000 -0.872 -0.000) 0.872 36.960 ( -0.000 8.193 0.000) 8.193 39.165 ( 0.000 -10.030 -0.000) 10.030 ======================= Grid point 19 (13/93) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.058 ( 1.815 0.000 0.509) 1.885 1.141 ( -1.432 -0.000 -1.861) 2.348 1.846 ( 3.880 0.000 -4.694) 6.090 1.885 ( 14.753 0.000 9.748) 17.683 2.179 ( -3.345 -0.000 -0.827) 3.446 2.214 ( 14.756 0.000 -4.179) 15.336 2.699 ( 0.181 0.000 -1.396) 1.408 2.730 ( -0.464 -0.000 -1.640) 1.705 2.833 ( -6.134 -0.000 7.130) 9.406 3.201 ( -0.166 -0.000 4.463) 4.466 3.224 ( -11.057 -0.000 12.423) 16.631 3.376 ( -5.258 -0.000 -9.744) 11.072 3.470 ( -3.300 -0.000 -4.098) 5.262 3.576 ( 8.312 0.000 7.163) 10.972 3.698 ( 1.262 0.000 -5.838) 5.973 3.903 ( -5.880 -0.000 -5.864) 8.305 4.006 ( -7.271 -0.000 11.562) 13.658 4.029 ( 11.394 0.000 -2.146) 11.595 4.089 ( 3.478 0.000 -3.619) 5.019 4.147 ( -4.650 -0.000 -1.346) 4.841 4.386 ( 9.203 0.000 4.216) 10.123 4.616 ( -6.217 -0.000 0.434) 6.232 4.764 ( 2.852 0.000 0.001) 2.852 4.767 ( -3.913 -0.000 2.939) 4.894 4.984 ( -2.558 -0.000 -5.403) 5.978 5.004 ( 1.592 0.000 1.435) 2.143 5.070 ( -7.889 -0.000 -9.486) 12.338 5.255 ( 2.411 0.000 -2.284) 3.321 5.546 ( 2.833 0.000 6.820) 7.385 5.575 ( -1.748 -0.000 -2.027) 2.677 5.604 ( 2.004 0.000 2.238) 3.004 5.747 ( 3.022 0.000 -3.991) 5.006 6.162 ( -2.775 -0.000 4.534) 5.316 6.394 ( -0.222 -0.000 1.784) 1.798 6.590 ( -1.456 -0.000 -7.253) 7.398 6.844 ( 4.756 0.000 -2.650) 5.444 7.199 ( 2.658 0.000 0.300) 2.675 7.474 ( 1.182 0.000 5.370) 5.499 7.617 ( -8.601 -0.000 -1.033) 8.663 7.703 ( -5.848 -0.000 0.316) 5.856 8.840 ( -0.810 -0.000 1.938) 2.101 9.053 ( 2.054 0.000 -3.787) 4.308 9.072 ( -4.642 -0.000 6.692) 8.144 9.356 ( 0.906 0.000 -4.210) 4.306 9.646 ( -10.370 -0.000 1.951) 10.552 9.705 ( -6.264 -0.000 -1.556) 6.454 9.770 ( -0.073 -0.000 -0.157) 0.173 9.861 ( -0.463 -0.000 1.537) 1.605 10.024 ( 2.349 0.000 -0.485) 2.398 10.114 ( 5.486 0.000 -2.249) 5.929 10.293 ( 2.896 0.000 2.357) 3.734 10.580 ( 7.508 0.000 -2.823) 8.021 11.473 ( -0.536 -0.000 -0.201) 0.573 11.485 ( 2.421 0.000 0.678) 2.514 11.805 ( -0.781 -0.000 2.768) 2.876 11.834 ( 0.120 0.000 -1.558) 1.563 12.804 ( -10.865 -0.000 1.779) 11.010 12.819 ( -9.094 -0.000 -1.624) 9.238 13.278 ( 0.395 0.000 2.075) 2.112 13.292 ( -1.225 -0.000 -1.812) 2.187 13.594 ( 1.377 0.000 0.075) 1.379 13.706 ( -0.120 -0.000 -0.436) 0.452 13.915 ( 2.884 0.000 1.183) 3.117 14.004 ( 1.973 0.000 -1.174) 2.296 14.438 ( 1.387 0.000 -0.889) 1.648 14.454 ( -0.433 -0.000 1.374) 1.440 14.765 ( 11.491 0.000 -1.271) 11.561 14.830 ( 14.703 0.000 -0.186) 14.704 15.512 ( 4.725 0.000 2.876) 5.532 15.649 ( 4.361 0.000 -2.967) 5.274 15.739 ( -0.189 -0.000 1.005) 1.023 15.877 ( -1.075 -0.000 -0.194) 1.093 16.633 ( 2.866 0.000 0.656) 2.940 16.682 ( -0.600 -0.000 -1.498) 1.614 16.749 ( -1.396 -0.000 0.583) 1.513 16.978 ( -2.620 -0.000 -2.012) 3.304 19.179 ( -4.037 -0.000 0.676) 4.093 19.431 ( -3.346 -0.000 -1.143) 3.535 20.168 ( 3.522 0.000 -4.380) 5.620 20.468 ( 4.781 0.000 2.710) 5.496 21.135 ( -1.049 -0.000 0.465) 1.148 21.670 ( -1.586 -0.000 0.660) 1.718 23.076 ( -2.441 -0.000 5.447) 5.969 23.572 ( -0.172 -0.000 -4.558) 4.561 26.755 ( -0.182 -0.000 0.798) 0.818 26.761 ( 0.381 0.000 -1.006) 1.076 29.382 ( 7.255 0.000 -5.806) 9.292 29.450 ( 9.454 0.000 6.160) 11.284 30.062 ( 5.018 0.000 2.911) 5.801 30.342 ( -13.551 -0.000 -2.950) 13.869 30.775 ( 4.092 0.000 3.971) 5.702 30.894 ( -0.188 -0.000 -1.316) 1.330 31.032 ( 4.074 0.000 5.976) 7.232 31.486 ( 11.388 0.000 -12.543) 16.942 32.214 ( -1.722 -0.000 -0.965) 1.974 32.332 ( 1.593 0.000 0.157) 1.601 32.644 ( -0.678 -0.000 2.712) 2.795 33.134 ( 0.471 0.000 -9.545) 9.557 33.522 ( 1.766 0.000 1.993) 2.663 34.056 ( -2.742 -0.000 -1.628) 3.189 35.717 ( -3.173 -0.000 -5.591) 6.428 35.809 ( 4.935 0.000 4.392) 6.607 36.137 ( -1.052 -0.000 2.615) 2.819 36.220 ( 1.281 0.000 -11.321) 11.393 36.742 ( 2.218 0.000 -3.200) 3.894 36.813 ( -0.747 -0.000 -1.189) 1.404 37.276 ( -6.945 -0.000 25.969) 26.882 38.712 ( -9.663 -0.000 -4.044) 10.475 ======================= Grid point 20 (14/93) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( -0.120 1.169 -1.764) 2.120 1.106 ( 2.511 -0.060 1.160) 2.766 1.714 ( -1.979 -3.143 -8.527) 9.300 2.100 ( 6.038 -0.597 3.026) 6.781 2.270 ( 2.732 10.864 3.219) 11.656 2.433 ( 2.607 -0.387 -5.274) 5.896 2.587 ( -0.366 1.204 4.382) 4.559 2.730 ( 7.464 -1.866 4.515) 8.920 2.875 ( -0.131 -1.217 4.772) 4.926 3.083 ( -6.295 4.767 6.618) 10.303 3.196 ( -7.002 -0.637 -10.705) 12.808 3.275 ( -3.247 -9.280 2.719) 10.201 3.405 ( -1.808 -1.127 -5.452) 5.854 3.598 ( -5.340 4.579 -3.968) 8.077 3.694 ( -0.319 2.119 -0.413) 2.183 3.821 ( 0.112 -5.554 2.676) 6.166 3.952 ( -1.936 -4.726 -0.215) 5.112 4.033 ( 1.527 7.599 -1.423) 7.881 4.162 ( 4.183 0.143 7.395) 8.497 4.366 ( 11.984 -6.080 -3.179) 13.809 4.461 ( -9.189 -0.165 11.849) 14.995 4.591 ( 9.752 1.563 -5.596) 11.352 4.674 ( -11.077 1.503 -4.636) 12.101 4.749 ( -2.332 -4.123 0.737) 4.794 4.863 ( -4.209 1.469 -0.540) 4.491 5.019 ( 3.979 -0.596 -3.358) 5.240 5.100 ( 5.171 -2.090 3.292) 6.476 5.330 ( 8.056 1.052 -2.992) 8.658 5.493 ( -2.267 2.143 -3.294) 4.537 5.598 ( -1.461 -0.229 1.981) 2.472 5.661 ( 4.938 3.368 3.028) 6.701 5.839 ( 5.687 -5.588 -3.581) 8.740 6.140 ( -2.848 2.004 4.801) 5.931 6.412 ( 1.931 -0.652 0.365) 2.071 6.555 ( 2.993 -0.856 -7.702) 8.307 6.930 ( 7.361 1.857 0.367) 7.601 7.209 ( 1.724 5.259 1.462) 5.724 7.436 ( -8.125 3.391 -0.299) 8.809 7.509 ( -0.734 -0.462 2.057) 2.232 7.645 ( -6.111 -5.770 -0.303) 8.410 8.857 ( 1.304 -1.012 2.533) 3.023 8.974 ( -3.885 5.360 1.528) 6.794 9.104 ( -3.117 -5.168 3.718) 7.088 9.391 ( 3.967 -1.192 -6.246) 7.495 9.463 ( -9.251 1.924 0.713) 9.476 9.556 ( -10.153 -2.838 -1.665) 10.673 9.714 ( -7.545 -3.102 -0.623) 8.181 9.797 ( -7.318 -0.038 2.443) 7.715 10.119 ( 7.948 0.944 -0.893) 8.054 10.221 ( 10.511 3.238 -2.751) 11.337 10.379 ( 6.038 2.014 2.731) 6.926 10.669 ( 3.569 -2.764 -2.169) 5.008 11.403 ( -7.396 0.639 0.194) 7.426 11.484 ( -4.337 0.597 0.304) 4.388 11.763 ( -3.541 2.373 0.997) 4.377 11.811 ( -4.660 -2.090 1.017) 5.207 12.659 ( 3.694 5.168 0.527) 6.374 12.821 ( -2.150 -9.900 -0.119) 10.132 13.283 ( 1.044 -1.368 -1.432) 2.239 13.329 ( 1.998 -2.137 1.823) 3.447 13.588 ( 0.939 4.887 0.041) 4.977 13.728 ( 0.112 -3.186 -0.750) 3.275 13.955 ( 1.758 3.500 0.242) 3.924 14.017 ( 0.187 -2.323 0.171) 2.336 14.448 ( 2.297 2.271 -0.093) 3.231 14.498 ( 4.642 0.427 -0.623) 4.703 14.805 ( 11.174 14.485 -0.179) 18.295 15.093 ( 3.664 -9.199 -0.363) 9.909 15.567 ( -0.073 0.187 2.552) 2.560 15.680 ( 0.416 -1.214 -1.708) 2.136 15.750 ( 1.655 1.333 0.399) 2.162 15.860 ( 2.477 3.320 -0.752) 4.210 16.668 ( -0.287 -1.109 -0.538) 1.266 16.680 ( 0.749 -1.190 0.399) 1.462 16.719 ( -1.505 0.788 -0.250) 1.717 16.918 ( -3.790 -0.490 -1.256) 4.023 19.148 ( -1.609 -0.886 2.394) 3.018 19.394 ( -0.723 -1.133 -1.707) 2.173 20.182 ( 2.950 2.940 -2.654) 4.939 20.570 ( 5.097 -0.552 2.192) 5.576 21.114 ( -2.074 -0.287 0.637) 2.189 21.650 ( -1.405 -0.267 0.811) 1.644 23.068 ( -3.835 -1.058 5.847) 7.072 23.542 ( -0.963 -1.527 -4.498) 4.847 26.734 ( 0.350 2.401 -0.055) 2.427 26.785 ( 0.027 -2.270 -0.159) 2.276 29.338 ( 5.171 14.127 -2.042) 15.182 29.670 ( -1.218 -14.480 -0.128) 14.532 30.032 ( -4.287 11.241 -0.386) 12.037 30.314 ( 5.883 -11.033 4.969) 13.455 30.831 ( 1.555 0.492 1.648) 2.318 30.890 ( -0.144 -0.841 -0.559) 1.020 31.171 ( 6.516 2.451 9.395) 11.693 31.588 ( 11.530 4.603 -5.803) 13.705 32.186 ( -1.657 -1.125 -0.420) 2.047 32.348 ( 0.472 0.578 0.099) 0.753 32.649 ( -0.581 0.720 3.205) 3.336 33.051 ( -5.167 -2.435 -8.166) 9.966 33.553 ( 1.018 0.663 1.143) 1.668 34.021 ( -0.934 -0.539 -0.086) 1.082 35.636 ( -2.488 -0.205 -5.770) 6.287 35.902 ( 4.265 0.705 2.210) 4.855 36.133 ( -1.358 0.497 -1.902) 2.389 36.157 ( -1.059 -2.190 -8.412) 8.757 36.745 ( -0.173 0.199 -0.841) 0.882 36.794 ( -0.985 0.342 0.464) 1.142 37.340 ( -0.904 1.850 16.094) 16.226 38.569 ( -5.144 -2.510 -4.793) 7.465 ======================= Grid point 21 (15/93) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( 1.965 1.450 -1.067) 2.665 1.125 ( -1.671 1.159 -0.554) 2.107 1.775 ( -0.492 0.682 -1.362) 1.600 2.007 ( -3.272 13.817 9.015) 16.819 2.209 ( -3.154 8.460 -4.927) 10.286 2.315 ( 8.050 2.895 -2.911) 9.036 2.649 ( -3.920 7.404 -3.756) 9.181 2.816 ( -4.287 -4.007 2.059) 6.219 3.005 ( 8.950 -2.962 5.370) 10.849 3.013 ( 1.182 1.444 1.143) 2.188 3.101 ( -2.520 -1.917 -2.988) 4.353 3.262 ( -8.180 -1.533 -5.294) 9.864 3.370 ( -0.527 -1.204 1.821) 2.246 3.525 ( 3.404 -5.878 -6.534) 9.425 3.665 ( 2.205 2.201 -3.143) 4.425 3.874 ( -3.824 0.509 0.092) 3.859 3.954 ( 2.243 1.969 5.260) 6.048 4.065 ( 1.850 -9.282 1.365) 9.563 4.225 ( 2.364 7.238 2.467) 8.004 4.419 ( -3.222 -1.239 9.054) 9.689 4.450 ( -9.663 -0.726 -0.790) 9.722 4.535 ( 2.644 -7.145 -4.301) 8.749 4.669 ( 3.401 0.959 -2.258) 4.194 4.797 ( 0.847 1.168 -2.127) 2.570 4.832 ( 3.930 -4.480 2.485) 6.457 5.076 ( 1.327 -0.255 -0.347) 1.395 5.219 ( 1.226 -5.663 6.402) 8.635 5.370 ( 1.459 3.566 -4.396) 5.845 5.479 ( 2.401 -2.385 -1.569) 3.730 5.560 ( -0.929 0.030 -3.862) 3.972 5.718 ( 5.246 5.190 1.614) 7.554 5.914 ( -0.452 0.882 1.637) 1.914 6.133 ( 2.642 -1.507 1.981) 3.630 6.471 ( 2.218 -3.477 -0.467) 4.151 6.607 ( 5.775 -2.838 -6.938) 9.463 7.038 ( 7.787 3.582 4.190) 9.541 7.184 ( 0.753 5.373 2.731) 6.074 7.341 ( -0.968 -0.433 -1.621) 1.937 7.485 ( -0.421 1.272 -2.218) 2.592 7.604 ( -5.751 -4.545 -0.002) 7.330 8.858 ( -2.933 4.571 0.505) 5.455 8.941 ( 0.635 -3.423 4.680) 5.833 9.072 ( -7.007 -0.173 2.351) 7.393 9.286 ( -7.066 -3.946 -1.200) 8.181 9.446 ( -6.465 -3.612 -2.214) 7.730 9.486 ( 5.423 -0.104 -4.491) 7.042 9.606 ( -11.894 -3.720 0.270) 12.465 9.712 ( -3.697 -3.328 2.109) 5.403 10.182 ( 3.976 6.251 -0.380) 7.418 10.322 ( 8.510 3.525 -2.452) 9.532 10.469 ( 4.657 1.805 1.710) 5.279 10.741 ( 4.206 -3.021 -1.423) 5.370 11.256 ( -10.048 -0.708 0.636) 10.093 11.348 ( -9.047 2.552 0.150) 9.401 11.676 ( -5.622 0.115 -0.457) 5.642 11.740 ( -6.840 -1.034 2.565) 7.378 12.813 ( 13.872 -2.375 0.303) 14.077 12.934 ( 4.842 -7.361 0.084) 8.811 13.312 ( 1.406 -0.976 -1.070) 2.018 13.415 ( 4.970 -2.003 1.426) 5.545 13.537 ( -0.325 5.293 0.248) 5.309 13.742 ( -0.779 -1.535 -0.723) 1.867 13.917 ( -0.281 3.539 -0.571) 3.595 14.049 ( 0.354 0.117 1.046) 1.111 14.465 ( 2.126 2.426 1.032) 3.386 14.522 ( 0.921 4.937 -2.296) 5.522 14.849 ( 8.451 8.853 -0.247) 12.241 15.131 ( -2.460 -1.191 0.414) 2.764 15.569 ( -1.425 -1.286 1.477) 2.422 15.651 ( -0.775 4.012 -0.705) 4.147 15.762 ( -0.019 0.091 0.224) 0.242 15.885 ( 6.488 5.978 -0.545) 8.839 16.655 ( -1.906 0.794 0.099) 2.067 16.673 ( -2.124 -1.743 -0.138) 2.751 16.726 ( 1.750 0.121 -0.204) 1.766 16.855 ( -4.110 -1.277 -1.524) 4.566 19.175 ( 0.330 -3.238 2.874) 4.342 19.409 ( 1.114 -3.098 -1.618) 3.669 20.174 ( 2.213 4.355 -1.256) 5.044 20.658 ( 4.846 1.716 1.744) 5.429 21.087 ( -2.301 -0.840 0.651) 2.535 21.645 ( -0.437 -0.826 0.693) 1.163 23.047 ( -5.088 -2.413 5.156) 7.636 23.518 ( -1.474 -2.548 -3.269) 4.399 26.724 ( 1.013 1.537 -0.068) 1.843 26.798 ( -0.499 -1.258 -0.147) 1.362 29.278 ( 4.547 10.155 -0.969) 11.169 29.668 ( -10.081 -6.367 -0.838) 11.953 29.868 ( -4.047 5.727 -2.210) 7.353 30.610 ( 13.386 -2.838 6.945) 15.345 30.855 ( 1.454 0.905 0.989) 1.978 30.908 ( 0.936 -2.882 1.388) 3.333 31.264 ( 2.621 5.301 9.011) 10.778 31.691 ( 12.286 9.091 -0.256) 15.286 32.183 ( -1.225 -2.601 0.708) 2.961 32.337 ( -0.514 1.373 -0.104) 1.470 32.633 ( -2.007 2.881 0.840) 3.611 32.947 ( -6.806 -6.373 -3.721) 10.039 33.552 ( -0.669 1.119 0.526) 1.406 34.037 ( 0.630 -2.119 0.908) 2.390 35.573 ( -1.392 -0.212 -4.656) 4.864 35.952 ( 1.713 1.477 0.134) 2.265 36.036 ( -3.669 -2.922 -13.071) 13.887 36.152 ( -0.587 -0.527 1.348) 1.562 36.725 ( -1.623 0.287 0.246) 1.666 36.784 ( -0.627 -0.071 1.344) 1.485 37.374 ( 1.423 7.392 6.314) 9.825 38.567 ( 0.253 -9.755 -2.725) 10.131 ======================= Grid point 22 (16/93) ======================= q-point: (-0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( -5.979 5.692 -2.149) 8.531 1.087 ( 0.610 3.735 -0.346) 3.800 1.541 ( -5.923 22.685 2.483) 23.577 1.748 ( -7.127 22.388 3.898) 23.817 2.162 ( -9.522 28.101 -12.975) 32.383 2.370 ( 10.563 -10.404 0.991) 14.859 2.503 ( 5.713 -2.755 -3.320) 7.159 2.809 ( -8.205 0.372 7.474) 11.105 3.011 ( -0.004 5.054 1.760) 5.352 3.049 ( 1.811 -0.269 2.880) 3.413 3.177 ( -2.391 -4.254 1.626) 5.144 3.181 ( 4.607 -1.783 -9.774) 10.951 3.401 ( -1.348 -5.468 0.195) 5.635 3.441 ( -6.953 7.069 -3.623) 10.557 3.738 ( 6.647 -1.708 3.059) 7.514 3.947 ( 4.014 -7.804 2.312) 9.076 3.961 ( 3.119 4.729 0.082) 5.665 4.113 ( -1.900 9.512 -5.425) 11.114 4.238 ( -1.130 -11.919 4.856) 12.920 4.345 ( -5.922 -6.579 0.617) 8.873 4.462 ( 2.620 -0.119 2.550) 3.658 4.608 ( -0.313 -4.798 -0.635) 4.850 4.688 ( 1.105 0.339 0.936) 1.487 4.840 ( 3.341 -2.102 -1.491) 4.219 4.917 ( -0.877 -3.670 -1.108) 3.933 5.073 ( 1.623 0.377 0.335) 1.700 5.305 ( -4.629 -7.053 1.898) 8.647 5.328 ( -0.497 1.753 -1.380) 2.285 5.500 ( 3.000 0.056 0.198) 3.007 5.585 ( 3.417 -1.265 -2.023) 4.167 5.765 ( 4.221 0.273 -0.504) 4.260 5.858 ( -2.533 3.577 2.228) 4.917 6.281 ( 8.267 -4.334 2.457) 9.652 6.526 ( -1.592 -6.437 -0.907) 6.693 6.662 ( 1.907 -2.153 -5.480) 6.189 7.131 ( 4.077 7.188 7.621) 11.241 7.196 ( 2.765 -0.355 2.030) 3.448 7.338 ( 2.195 -0.808 -5.061) 5.576 7.471 ( 0.955 1.883 -2.903) 3.590 7.576 ( -2.209 -4.674 0.354) 5.182 8.804 ( -0.483 0.714 1.639) 1.853 8.924 ( -4.306 1.375 -1.331) 4.712 9.015 ( -1.683 -1.118 3.075) 3.679 9.271 ( -1.059 -2.985 -0.789) 3.264 9.319 ( -12.562 2.391 -0.559) 12.800 9.484 ( -4.905 -8.077 0.058) 9.450 9.533 ( 0.704 -3.419 -1.136) 3.671 9.773 ( 2.266 -6.322 -0.542) 6.737 10.136 ( -0.331 6.915 0.734) 6.962 10.378 ( 5.202 5.985 -1.635) 8.097 10.485 ( 0.111 2.270 -0.056) 2.273 10.859 ( 7.895 -1.013 -0.543) 7.978 11.130 ( -8.251 -2.055 0.925) 8.553 11.201 ( -6.175 -0.084 -0.054) 6.176 11.587 ( -5.154 -1.173 -0.528) 5.312 11.671 ( -4.304 -0.918 2.229) 4.933 13.048 ( 8.246 -5.108 -1.030) 9.754 13.103 ( 6.801 -5.984 1.310) 9.153 13.329 ( 2.206 1.927 -0.458) 2.964 13.457 ( -0.449 4.434 0.930) 4.553 13.576 ( 7.438 -3.261 0.287) 8.127 13.736 ( -0.389 -0.556 -0.505) 0.846 13.883 ( 1.562 4.997 0.258) 5.242 14.026 ( -2.391 1.617 -0.381) 2.911 14.371 ( -8.264 7.826 -2.335) 11.619 14.462 ( -0.578 4.441 2.635) 5.196 14.854 ( 3.896 7.840 -1.950) 8.970 15.156 ( 4.039 -0.578 1.367) 4.303 15.536 ( -1.937 5.466 0.107) 5.800 15.596 ( -1.538 0.991 -0.121) 1.834 15.747 ( -1.425 0.509 -0.012) 1.514 15.945 ( 8.547 6.207 2.140) 10.777 16.606 ( -2.911 -0.128 -1.847) 3.450 16.664 ( -0.790 0.043 1.671) 1.849 16.729 ( 0.004 1.351 -0.449) 1.424 16.789 ( -4.224 -0.460 -1.706) 4.579 19.255 ( 1.417 -6.221 1.944) 6.669 19.461 ( 1.069 -4.786 -1.006) 5.006 20.148 ( 1.163 5.053 -0.340) 5.196 20.709 ( 3.708 3.623 1.477) 5.390 21.071 ( -1.429 -1.411 0.409) 2.049 21.663 ( 0.721 -1.563 0.455) 1.781 23.022 ( -4.712 -3.365 3.316) 6.673 23.511 ( -0.964 -3.139 -1.502) 3.611 26.735 ( 1.662 0.569 0.010) 1.757 26.791 ( -1.206 -0.215 -0.163) 1.235 29.280 ( 6.697 5.964 -0.571) 8.985 29.536 ( -10.028 -1.165 0.020) 10.096 29.737 ( -3.131 6.152 -1.350) 7.034 30.777 ( 4.636 2.590 1.114) 5.426 30.861 ( 0.219 1.060 0.046) 1.083 31.052 ( 8.461 -3.320 5.538) 10.643 31.267 ( -2.135 4.828 7.659) 9.302 31.792 ( 12.311 12.650 3.942) 18.087 32.199 ( -1.165 -2.628 1.292) 3.151 32.309 ( -0.493 1.918 -0.089) 1.982 32.513 ( -7.803 1.453 -4.053) 8.912 32.961 ( -0.599 -7.467 3.055) 8.090 33.519 ( -2.030 1.150 0.012) 2.333 34.084 ( 0.782 -3.451 0.899) 3.651 35.541 ( -0.091 -0.053 -2.243) 2.246 35.864 ( -6.414 -2.124 -11.085) 12.982 35.991 ( 0.958 1.227 -1.806) 2.385 36.158 ( -0.067 -0.500 0.504) 0.713 36.699 ( -1.424 0.216 0.513) 1.529 36.792 ( -0.048 -0.923 1.058) 1.405 37.310 ( 1.039 12.041 -0.660) 12.103 38.714 ( 2.352 -15.131 -0.756) 15.332 ======================= Grid point 23 (17/93) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( -0.000 12.149 0.000) 12.149 1.017 ( -0.000 9.827 0.000) 9.827 1.226 ( -0.000 27.882 0.000) 27.882 1.514 ( -0.000 20.321 0.000) 20.321 1.644 ( -0.000 36.625 0.000) 36.625 2.558 ( 0.000 -9.842 -0.000) 9.842 2.603 ( 0.000 -0.039 -0.000) 0.039 2.727 ( -0.000 0.937 0.000) 0.937 2.930 ( -0.000 11.877 0.000) 11.877 2.998 ( -0.000 12.230 0.000) 12.230 3.169 ( -0.000 7.923 0.000) 7.923 3.218 ( 0.000 -9.619 -0.000) 9.619 3.334 ( 0.000 -4.062 -0.000) 4.062 3.483 ( 0.000 -8.682 -0.000) 8.682 3.857 ( -0.000 11.839 0.000) 11.839 3.870 ( -0.000 2.175 0.000) 2.175 3.975 ( 0.000 -5.381 -0.000) 5.381 4.180 ( 0.000 -15.412 -0.000) 15.412 4.298 ( 0.000 -5.844 -0.000) 5.844 4.367 ( 0.000 -2.475 -0.000) 2.475 4.536 ( 0.000 -1.411 -0.000) 1.411 4.631 ( 0.000 -6.626 -0.000) 6.626 4.695 ( -0.000 2.108 0.000) 2.108 4.867 ( 0.000 -0.574 -0.000) 0.574 4.922 ( 0.000 -3.051 -0.000) 3.051 5.128 ( 0.000 -2.828 -0.000) 2.828 5.270 ( -0.000 2.001 0.000) 2.001 5.304 ( 0.000 -0.321 -0.000) 0.321 5.573 ( 0.000 -1.164 -0.000) 1.164 5.601 ( -0.000 0.037 0.000) 0.037 5.784 ( -0.000 0.534 0.000) 0.534 5.888 ( 0.000 -7.218 -0.000) 7.218 6.424 ( 0.000 -1.870 -0.000) 1.870 6.566 ( 0.000 -10.181 -0.000) 10.181 6.657 ( -0.000 0.525 0.000) 0.525 7.110 ( -0.000 9.018 0.000) 9.018 7.251 ( 0.000 -5.248 -0.000) 5.248 7.381 ( 0.000 -1.244 -0.000) 1.244 7.430 ( -0.000 3.153 0.000) 3.153 7.608 ( 0.000 -4.734 -0.000) 4.734 8.842 ( 0.000 -2.336 -0.000) 2.336 8.862 ( 0.000 -1.299 -0.000) 1.299 9.042 ( -0.000 4.144 0.000) 4.144 9.109 ( 0.000 -0.155 -0.000) 0.155 9.288 ( 0.000 -1.346 -0.000) 1.346 9.512 ( 0.000 -0.742 -0.000) 0.742 9.592 ( 0.000 -8.318 -0.000) 8.318 9.866 ( 0.000 -8.069 -0.000) 8.069 10.071 ( -0.000 5.110 0.000) 5.110 10.331 ( -0.000 8.607 0.000) 8.607 10.468 ( -0.000 1.286 0.000) 1.286 10.934 ( -0.000 4.768 0.000) 4.768 11.069 ( 0.000 -3.335 -0.000) 3.335 11.175 ( 0.000 -4.320 -0.000) 4.320 11.555 ( 0.000 -2.058 -0.000) 2.058 11.653 ( 0.000 -0.686 -0.000) 0.686 13.152 ( 0.000 -5.120 -0.000) 5.120 13.237 ( 0.000 -6.407 -0.000) 6.407 13.331 ( -0.000 2.792 0.000) 2.792 13.410 ( -0.000 3.967 0.000) 3.967 13.716 ( 0.000 -3.545 -0.000) 3.545 13.731 ( 0.000 -2.547 -0.000) 2.547 13.869 ( -0.000 8.699 0.000) 8.699 13.918 ( -0.000 4.898 0.000) 4.898 14.199 ( -0.000 5.882 0.000) 5.882 14.404 ( -0.000 6.162 0.000) 6.162 14.793 ( -0.000 11.054 0.000) 11.054 15.222 ( 0.000 -1.712 -0.000) 1.712 15.437 ( -0.000 8.296 0.000) 8.296 15.582 ( 0.000 -1.690 -0.000) 1.690 15.720 ( -0.000 1.386 0.000) 1.386 16.016 ( -0.000 2.533 0.000) 2.533 16.560 ( 0.000 -0.526 -0.000) 0.526 16.663 ( -0.000 1.502 0.000) 1.502 16.717 ( -0.000 1.270 0.000) 1.270 16.717 ( -0.000 2.169 0.000) 2.169 19.349 ( 0.000 -7.682 -0.000) 7.682 19.521 ( 0.000 -5.693 -0.000) 5.693 20.105 ( -0.000 5.143 0.000) 5.143 20.712 ( -0.000 3.750 0.000) 3.750 21.077 ( 0.000 -1.635 -0.000) 1.635 21.694 ( 0.000 -2.158 -0.000) 2.158 23.023 ( 0.000 -3.385 -0.000) 3.385 23.533 ( 0.000 -3.329 -0.000) 3.329 26.757 ( -0.000 0.032 0.000) 0.032 26.769 ( -0.000 0.302 0.000) 0.302 29.354 ( -0.000 6.155 0.000) 6.155 29.377 ( -0.000 0.820 0.000) 0.820 29.655 ( -0.000 4.405 0.000) 4.405 30.783 ( -0.000 3.095 0.000) 3.095 30.852 ( -0.000 0.768 0.000) 0.768 31.193 ( -0.000 4.028 0.000) 4.028 31.213 ( 0.000 -2.631 -0.000) 2.631 31.811 ( -0.000 12.667 0.000) 12.667 32.211 ( 0.000 -1.357 -0.000) 1.357 32.290 ( -0.000 2.255 0.000) 2.255 32.399 ( 0.000 -0.884 -0.000) 0.884 33.059 ( 0.000 -7.141 -0.000) 7.141 33.482 ( -0.000 1.272 0.000) 1.272 34.133 ( 0.000 -3.991 -0.000) 3.991 35.539 ( 0.000 -0.087 -0.000) 0.087 35.757 ( 0.000 -0.378 -0.000) 0.378 35.976 ( -0.000 2.164 0.000) 2.164 36.164 ( 0.000 -0.565 -0.000) 0.565 36.687 ( -0.000 0.095 0.000) 0.095 36.809 ( 0.000 -1.355 -0.000) 1.355 37.181 ( -0.000 13.011 0.000) 13.011 38.895 ( 0.000 -15.751 -0.000) 15.751 ======================= Grid point 28 (18/93) ======================= q-point: ( 0.38 -0.62 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.106 ( 2.644 0.000 -2.083) 3.366 1.133 ( -0.755 -0.000 -0.199) 0.781 1.749 ( 14.805 0.000 -2.768) 15.061 2.195 ( -0.709 -0.000 6.787) 6.824 2.300 ( -5.463 -0.000 -5.679) 7.880 2.389 ( -0.715 -0.000 -0.769) 1.050 2.640 ( -3.951 -0.000 2.794) 4.840 2.838 ( -7.518 -0.000 7.595) 10.686 2.859 ( 8.609 0.000 3.250) 9.202 3.067 ( 2.393 0.000 -7.054) 7.449 3.136 ( -8.241 -0.000 1.954) 8.469 3.210 ( 11.872 0.000 -1.398) 11.954 3.425 ( -3.523 -0.000 -2.326) 4.222 3.459 ( 2.184 0.000 -9.997) 10.233 3.678 ( -4.185 -0.000 9.432) 10.319 3.749 ( 1.850 0.000 -7.119) 7.356 4.018 ( 5.519 0.000 0.740) 5.568 4.046 ( -4.305 -0.000 -1.250) 4.483 4.307 ( 7.857 0.000 4.385) 8.998 4.411 ( -4.471 -0.000 13.120) 13.861 4.416 ( 1.202 0.000 -3.101) 3.325 4.447 ( -11.908 -0.000 -5.796) 13.244 4.677 ( 1.558 0.000 -3.187) 3.548 4.775 ( 5.108 0.000 3.922) 6.440 4.821 ( -1.057 -0.000 0.447) 1.147 5.066 ( 3.174 0.000 -0.559) 3.223 5.165 ( -0.358 -0.000 3.599) 3.617 5.422 ( -3.886 -0.000 -4.800) 6.175 5.427 ( 5.415 0.000 -3.816) 6.624 5.560 ( -0.704 -0.000 -2.738) 2.827 5.825 ( 7.639 0.000 5.287) 9.291 5.869 ( 2.931 0.000 -1.192) 3.164 6.140 ( -2.051 -0.000 3.633) 4.172 6.419 ( 1.235 0.000 -2.270) 2.584 6.579 ( 5.079 0.000 -6.009) 7.868 7.079 ( 8.268 0.000 2.866) 8.751 7.229 ( -5.257 -0.000 3.786) 6.478 7.368 ( 1.203 0.000 -3.043) 3.272 7.495 ( -0.886 -0.000 -1.402) 1.659 7.550 ( -2.868 -0.000 0.564) 2.923 8.904 ( 1.919 0.000 6.639) 6.911 8.947 ( -3.678 -0.000 -2.822) 4.636 9.026 ( -5.067 -0.000 6.569) 8.296 9.306 ( -7.090 -0.000 -6.546) 9.650 9.319 ( -7.617 -0.000 -1.668) 7.798 9.518 ( 4.255 0.000 -1.211) 4.424 9.564 ( -8.544 -0.000 -0.582) 8.563 9.676 ( -7.745 -0.000 2.000) 7.999 10.254 ( 8.118 0.000 -1.641) 8.282 10.365 ( 2.697 0.000 0.521) 2.747 10.496 ( 9.247 0.000 0.611) 9.267 10.683 ( 1.748 0.000 -1.787) 2.500 11.250 ( -11.224 -0.000 0.779) 11.251 11.382 ( -8.496 -0.000 -0.309) 8.502 11.682 ( -6.487 -0.000 -2.263) 6.871 11.722 ( -6.909 -0.000 4.265) 8.119 12.815 ( 9.409 0.000 2.852) 9.832 12.829 ( 10.295 0.000 -2.475) 10.588 13.303 ( 3.601 0.000 -1.269) 3.818 13.394 ( 5.049 0.000 1.672) 5.319 13.615 ( -1.309 -0.000 0.039) 1.310 13.700 ( -0.864 -0.000 -0.530) 1.013 13.962 ( -0.658 -0.000 -0.386) 0.763 14.044 ( 1.801 0.000 1.122) 2.122 14.489 ( 2.268 0.000 0.940) 2.456 14.569 ( 2.140 0.000 -2.469) 3.268 14.968 ( 1.079 0.000 -0.444) 1.167 15.095 ( 2.450 0.000 0.975) 2.637 15.558 ( -2.399 -0.000 2.489) 3.457 15.686 ( 2.595 0.000 -2.723) 3.761 15.773 ( -0.496 -0.000 1.553) 1.630 15.948 ( 6.609 0.000 -1.649) 6.811 16.648 ( -0.451 -0.000 0.354) 0.573 16.661 ( -2.410 -0.000 -0.838) 2.551 16.730 ( 2.006 0.000 0.300) 2.028 16.842 ( -4.112 -0.000 -1.427) 4.352 19.141 ( -0.738 -0.000 2.987) 3.076 19.376 ( 0.727 0.000 -1.893) 2.028 20.224 ( 2.187 0.000 -1.856) 2.868 20.673 ( 5.857 0.000 1.808) 6.130 21.078 ( -2.526 -0.000 0.688) 2.618 21.636 ( -0.709 -0.000 0.835) 1.096 23.020 ( -5.618 -0.000 5.567) 7.909 23.489 ( -1.199 -0.000 -3.970) 4.147 26.759 ( -0.144 -0.000 0.510) 0.530 26.767 ( 0.680 0.000 -0.715) 0.986 29.477 ( 2.037 0.000 -5.121) 5.512 29.505 ( -6.055 -0.000 2.231) 6.453 29.933 ( -8.209 -0.000 -2.093) 8.472 30.571 ( 19.849 0.000 8.052) 21.420 30.866 ( 2.046 0.000 1.174) 2.359 30.881 ( -0.111 -0.000 -0.559) 0.570 31.327 ( 2.823 0.000 9.005) 9.437 31.787 ( 13.065 0.000 -1.053) 13.107 32.151 ( -1.467 -0.000 -0.020) 1.467 32.353 ( -0.347 -0.000 0.142) 0.375 32.686 ( 1.281 0.000 4.936) 5.100 32.855 ( -10.643 -0.000 -8.320) 13.509 33.564 ( -0.514 -0.000 -0.191) 0.548 34.014 ( 0.237 0.000 0.586) 0.632 35.572 ( -1.219 -0.000 -4.660) 4.817 35.974 ( 3.317 0.000 0.172) 3.321 35.999 ( -4.686 -0.000 -14.335) 15.081 36.147 ( -0.936 -0.000 3.052) 3.192 36.729 ( -1.942 -0.000 0.955) 2.164 36.783 ( -0.769 -0.000 0.338) 0.840 37.461 ( 2.874 0.000 11.530) 11.883 38.457 ( -2.531 -0.000 -4.753) 5.385 ======================= Grid point 30 (19/93) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( -2.718 1.655 -1.072) 3.358 1.137 ( 2.257 1.249 -0.779) 2.695 1.948 ( 6.896 16.343 -0.284) 17.741 2.163 ( -4.049 17.946 5.515) 19.206 2.199 ( 11.020 -7.710 -2.537) 13.686 2.425 ( 2.663 -4.660 0.099) 5.368 2.590 ( -6.084 0.202 -4.808) 7.757 2.677 ( -7.445 2.021 5.245) 9.329 2.897 ( -16.329 -4.706 -2.480) 17.174 3.068 ( 5.810 -2.113 0.601) 6.212 3.097 ( 2.633 -0.846 -1.072) 2.966 3.261 ( -1.340 1.712 -2.919) 3.640 3.438 ( 11.357 4.118 0.252) 12.083 3.566 ( 6.532 4.338 -2.608) 8.263 3.678 ( 0.215 -0.356 -0.063) 0.421 3.826 ( 3.914 -7.636 -2.576) 8.959 3.960 ( -4.327 -3.005 7.947) 9.534 4.075 ( 2.295 1.546 -0.710) 2.857 4.254 ( -8.079 -2.165 -4.317) 9.413 4.348 ( -0.208 8.828 1.137) 8.903 4.426 ( -0.173 -2.873 1.455) 3.225 4.502 ( 2.774 -5.705 2.000) 6.651 4.656 ( -1.358 -1.891 -0.842) 2.476 4.829 ( 1.484 0.699 1.579) 2.277 4.871 ( 1.100 -1.241 2.018) 2.612 5.086 ( -0.611 1.267 0.065) 1.408 5.150 ( -3.831 -5.830 2.394) 7.375 5.342 ( -1.976 -0.317 -3.014) 3.618 5.471 ( 1.588 -1.884 -2.231) 3.324 5.577 ( 4.614 0.079 -3.403) 5.734 5.845 ( 0.027 4.735 1.366) 4.929 5.937 ( 0.458 3.999 2.673) 4.832 6.175 ( 3.655 -5.765 1.963) 7.103 6.428 ( -0.526 -2.357 -2.541) 3.506 6.618 ( 1.820 -1.759 -3.045) 3.959 7.169 ( -3.965 -0.880 3.387) 5.289 7.224 ( 8.199 1.565 4.096) 9.298 7.392 ( 4.308 4.259 -4.529) 7.564 7.479 ( -1.738 -0.630 -2.895) 3.435 7.517 ( -0.618 -1.788 1.055) 2.166 8.855 ( -2.050 3.733 0.891) 4.351 8.960 ( -5.288 -2.995 5.268) 8.043 9.017 ( 4.304 5.549 -0.122) 7.023 9.206 ( -0.186 -1.963 -0.115) 1.975 9.272 ( -2.781 -9.423 -2.940) 10.255 9.389 ( -12.002 3.603 -0.924) 12.565 9.477 ( -6.932 -3.609 -0.039) 7.815 9.690 ( 4.508 -1.857 -0.619) 4.914 10.284 ( 0.386 7.317 0.253) 7.332 10.405 ( 2.365 -3.670 -0.281) 4.375 10.594 ( 4.813 8.303 -0.319) 9.603 10.764 ( 6.123 -7.322 -0.939) 9.591 11.086 ( -9.883 -1.300 0.724) 9.994 11.243 ( -6.306 2.045 -0.129) 6.630 11.573 ( -4.985 -0.230 -1.331) 5.165 11.648 ( -4.973 -0.917 2.622) 5.696 12.980 ( 8.160 -1.500 -1.373) 8.410 13.008 ( 8.270 -2.896 1.515) 8.893 13.368 ( 5.481 1.504 -0.748) 5.733 13.505 ( 6.472 -0.936 1.026) 6.619 13.562 ( -1.801 2.789 0.166) 3.324 13.689 ( -2.645 -2.911 -0.240) 3.940 13.969 ( 2.864 2.603 0.988) 3.995 14.046 ( -1.181 0.363 -0.812) 1.478 14.489 ( -7.080 3.232 -3.116) 8.383 14.526 ( 1.087 1.701 3.038) 3.647 14.950 ( 0.209 2.116 -1.647) 2.690 15.147 ( 2.998 -0.170 1.838) 3.521 15.539 ( -1.815 -0.654 0.996) 2.172 15.700 ( 2.217 3.268 -2.290) 4.565 15.757 ( -1.768 0.802 1.654) 2.551 16.030 ( 5.804 2.221 -0.879) 6.276 16.610 ( -2.694 0.583 -0.963) 2.920 16.658 ( 0.319 -0.507 1.360) 1.486 16.759 ( 0.966 1.168 -0.121) 1.520 16.778 ( -2.391 -0.712 -1.571) 2.948 19.163 ( -0.028 -2.484 2.003) 3.191 19.391 ( 0.902 -1.900 -1.196) 2.419 20.230 ( 1.213 2.397 -0.828) 2.811 20.759 ( 4.009 1.227 0.993) 4.308 21.049 ( -1.697 -0.612 0.448) 1.859 21.640 ( 0.208 -0.642 0.498) 0.839 22.970 ( -4.659 -1.494 3.411) 5.965 23.460 ( -0.881 -1.522 -2.132) 2.763 26.752 ( 0.594 0.970 0.109) 1.143 26.779 ( -0.165 -0.806 -0.243) 0.857 29.391 ( 0.196 4.924 -0.335) 4.940 29.487 ( -5.021 -3.479 -1.039) 6.196 29.822 ( -3.167 2.162 -1.573) 4.144 30.821 ( 4.570 1.526 1.809) 5.146 30.875 ( -0.095 0.261 -0.284) 0.397 30.998 ( 13.047 -1.647 3.969) 13.737 31.359 ( -2.402 3.107 5.814) 7.016 31.986 ( 14.138 5.455 2.313) 15.329 32.144 ( -1.123 -1.979 1.140) 2.545 32.341 ( -0.416 0.984 -0.034) 1.069 32.576 ( -11.079 4.395 -5.676) 13.201 32.795 ( 0.083 -7.570 3.030) 8.155 33.539 ( -1.574 0.599 -0.887) 1.904 34.033 ( 0.553 -1.412 0.593) 1.628 35.541 ( 0.046 0.014 -2.231) 2.231 35.839 ( -5.113 -0.527 -10.418) 11.617 36.011 ( 1.611 0.525 -0.449) 1.753 36.151 ( -0.393 -0.142 1.547) 1.602 36.702 ( -1.681 0.125 0.774) 1.854 36.777 ( -0.491 -0.449 0.436) 0.796 37.526 ( 2.376 7.331 4.938) 9.153 38.455 ( -0.058 -8.411 -2.221) 8.700 ======================= Grid point 31 (20/93) ======================= q-point: (-0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( -0.000 5.267 0.000) 5.267 1.130 ( -0.000 3.111 0.000) 3.111 1.763 ( -0.000 23.666 0.000) 23.666 1.954 ( -0.000 21.776 0.000) 21.776 2.288 ( -0.000 25.399 0.000) 25.399 2.402 ( 0.000 -2.953 -0.000) 2.953 2.537 ( 0.000 -6.795 -0.000) 6.795 2.666 ( 0.000 -5.331 -0.000) 5.331 2.871 ( 0.000 -19.091 -0.000) 19.091 3.102 ( -0.000 0.598 0.000) 0.598 3.177 ( 0.000 -0.351 -0.000) 0.351 3.261 ( 0.000 -4.245 -0.000) 4.245 3.417 ( -0.000 17.013 0.000) 17.013 3.454 ( -0.000 11.417 0.000) 11.417 3.762 ( 0.000 -8.471 -0.000) 8.471 3.912 ( 0.000 -7.003 -0.000) 7.003 4.045 ( -0.000 5.378 0.000) 5.378 4.090 ( 0.000 -9.500 -0.000) 9.500 4.194 ( -0.000 4.492 0.000) 4.492 4.246 ( 0.000 -0.865 -0.000) 0.865 4.472 ( 0.000 -3.960 -0.000) 3.960 4.559 ( 0.000 -2.583 -0.000) 2.583 4.680 ( 0.000 -3.441 -0.000) 3.441 4.854 ( 0.000 -0.518 -0.000) 0.518 4.876 ( 0.000 -0.988 -0.000) 0.988 5.086 ( 0.000 -1.126 -0.000) 1.126 5.184 ( 0.000 -6.452 -0.000) 6.452 5.329 ( 0.000 -0.873 -0.000) 0.873 5.510 ( 0.000 -3.787 -0.000) 3.787 5.608 ( -0.000 1.012 0.000) 1.012 5.817 ( -0.000 1.960 0.000) 1.960 5.869 ( -0.000 5.838 0.000) 5.838 6.343 ( 0.000 -11.721 -0.000) 11.721 6.405 ( 0.000 -0.033 -0.000) 0.033 6.639 ( 0.000 -2.067 -0.000) 2.067 7.168 ( 0.000 -2.663 -0.000) 2.663 7.297 ( -0.000 8.133 0.000) 8.133 7.383 ( -0.000 1.025 0.000) 1.025 7.416 ( 0.000 -2.023 -0.000) 2.023 7.558 ( 0.000 -1.720 -0.000) 1.720 8.832 ( -0.000 1.198 0.000) 1.198 8.887 ( -0.000 3.166 0.000) 3.166 9.114 ( -0.000 1.528 0.000) 1.528 9.127 ( -0.000 2.263 0.000) 2.263 9.236 ( 0.000 -1.645 -0.000) 1.645 9.414 ( 0.000 -8.455 -0.000) 8.455 9.433 ( 0.000 -7.076 -0.000) 7.076 9.753 ( 0.000 -2.930 -0.000) 2.930 10.203 ( -0.000 7.592 0.000) 7.592 10.462 ( 0.000 -2.398 -0.000) 2.398 10.525 ( -0.000 10.212 0.000) 10.212 10.920 ( 0.000 -6.079 -0.000) 6.079 11.001 ( 0.000 -2.822 -0.000) 2.822 11.163 ( -0.000 2.668 0.000) 2.668 11.530 ( 0.000 -0.597 -0.000) 0.597 11.628 ( 0.000 -1.481 -0.000) 1.481 13.063 ( 0.000 -3.320 -0.000) 3.320 13.123 ( 0.000 -4.370 -0.000) 4.370 13.397 ( -0.000 3.519 0.000) 3.519 13.490 ( -0.000 3.780 0.000) 3.780 13.647 ( 0.000 -3.206 -0.000) 3.206 13.665 ( 0.000 -3.734 -0.000) 3.734 13.993 ( -0.000 3.678 0.000) 3.678 14.000 ( -0.000 2.862 0.000) 2.862 14.338 ( -0.000 6.518 0.000) 6.518 14.512 ( -0.000 4.140 0.000) 4.140 14.925 ( -0.000 2.985 0.000) 2.985 15.193 ( 0.000 -1.004 -0.000) 1.004 15.529 ( 0.000 -0.447 -0.000) 0.447 15.650 ( -0.000 7.677 0.000) 7.677 15.740 ( -0.000 0.581 0.000) 0.581 16.064 ( -0.000 1.919 0.000) 1.919 16.567 ( -0.000 1.227 0.000) 1.227 16.672 ( 0.000 -0.121 -0.000) 0.121 16.740 ( -0.000 0.107 0.000) 0.107 16.759 ( -0.000 2.196 0.000) 2.196 19.211 ( 0.000 -5.293 -0.000) 5.293 19.423 ( 0.000 -3.612 -0.000) 3.612 20.204 ( -0.000 4.118 0.000) 4.118 20.777 ( -0.000 2.416 0.000) 2.416 21.046 ( 0.000 -1.218 -0.000) 1.218 21.656 ( 0.000 -1.452 -0.000) 1.452 22.960 ( 0.000 -2.535 -0.000) 2.535 23.468 ( 0.000 -2.716 -0.000) 2.716 26.758 ( -0.000 0.067 0.000) 0.067 26.775 ( -0.000 0.208 0.000) 0.208 29.391 ( -0.000 0.531 0.000) 0.531 29.426 ( -0.000 1.499 0.000) 1.499 29.757 ( -0.000 4.523 0.000) 4.523 30.837 ( -0.000 1.942 0.000) 1.942 30.867 ( -0.000 0.630 0.000) 0.630 31.172 ( 0.000 -1.435 -0.000) 1.435 31.291 ( -0.000 4.867 0.000) 4.867 32.069 ( -0.000 11.933 0.000) 11.933 32.163 ( 0.000 -2.924 -0.000) 2.924 32.331 ( -0.000 1.494 0.000) 1.494 32.391 ( -0.000 0.023 0.000) 0.023 32.895 ( 0.000 -8.366 -0.000) 8.366 33.509 ( -0.000 1.188 0.000) 1.188 34.061 ( 0.000 -2.751 -0.000) 2.751 35.538 ( 0.000 -0.029 -0.000) 0.029 35.755 ( -0.000 0.042 0.000) 0.042 36.012 ( -0.000 1.276 0.000) 1.276 36.156 ( 0.000 -0.275 -0.000) 0.275 36.689 ( -0.000 0.118 0.000) 0.118 36.783 ( 0.000 -1.072 -0.000) 1.072 37.452 ( -0.000 12.665 0.000) 12.665 38.574 ( 0.000 -14.564 -0.000) 14.564 ======================= Grid point 39 (21/93) ======================= q-point: (-0.50 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( 0.000 -0.000 -0.000) 0.000 1.161 ( 0.000 -0.000 -0.000) 0.000 2.067 ( 0.000 -0.000 -0.000) 0.000 2.315 ( 0.000 -0.000 -0.000) 0.000 2.386 ( -0.000 0.000 0.000) 0.000 2.439 ( -0.000 0.000 0.000) 0.000 2.452 ( 0.000 -0.000 -0.000) 0.000 2.544 ( 0.000 -0.000 -0.000) 0.000 2.693 ( 0.000 -0.000 -0.000) 0.000 3.111 ( 0.000 -0.000 -0.000) 0.000 3.113 ( 0.000 -0.000 -0.000) 0.000 3.217 ( 0.000 -0.000 -0.000) 0.000 3.595 ( 0.000 -0.000 -0.000) 0.000 3.667 ( -0.000 0.000 0.000) 0.000 3.727 ( -0.000 0.000 0.000) 0.000 3.806 ( 0.000 -0.000 -0.000) 0.000 3.892 ( 0.000 -0.000 -0.000) 0.000 4.102 ( 0.000 -0.000 -0.000) 0.000 4.143 ( 0.000 -0.000 -0.000) 0.000 4.414 ( 0.000 -0.000 -0.000) 0.000 4.420 ( -0.000 0.000 0.000) 0.000 4.476 ( 0.000 -0.000 -0.000) 0.000 4.624 ( 0.000 -0.000 -0.000) 0.000 4.852 ( 0.000 -0.000 -0.000) 0.000 4.868 ( 0.000 -0.000 -0.000) 0.000 5.081 ( 0.000 -0.000 -0.000) 0.000 5.107 ( 0.000 -0.000 -0.000) 0.000 5.306 ( 0.000 -0.000 -0.000) 0.000 5.463 ( 0.000 -0.000 -0.000) 0.000 5.620 ( 0.000 -0.000 -0.000) 0.000 5.839 ( 0.000 -0.000 -0.000) 0.000 6.021 ( -0.000 0.000 0.000) 0.000 6.145 ( 0.000 -0.000 -0.000) 0.000 6.410 ( 0.000 -0.000 -0.000) 0.000 6.608 ( 0.000 -0.000 -0.000) 0.000 7.143 ( 0.000 -0.000 -0.000) 0.000 7.353 ( 0.000 -0.000 -0.000) 0.000 7.398 ( 0.000 -0.000 -0.000) 0.000 7.460 ( 0.000 -0.000 -0.000) 0.000 7.503 ( -0.000 0.000 0.000) 0.000 8.858 ( 0.000 -0.000 -0.000) 0.000 8.934 ( 0.000 -0.000 -0.000) 0.000 9.095 ( 0.000 -0.000 -0.000) 0.000 9.211 ( 0.000 -0.000 -0.000) 0.000 9.248 ( -0.000 0.000 0.000) 0.000 9.268 ( 0.000 -0.000 -0.000) 0.000 9.329 ( 0.000 -0.000 -0.000) 0.000 9.727 ( 0.000 -0.000 -0.000) 0.000 10.335 ( 0.000 -0.000 -0.000) 0.000 10.386 ( -0.000 0.000 0.000) 0.000 10.696 ( 0.000 -0.000 -0.000) 0.000 10.786 ( -0.000 0.000 0.000) 0.000 10.972 ( 0.000 -0.000 -0.000) 0.000 11.201 ( 0.000 -0.000 -0.000) 0.000 11.525 ( 0.000 -0.000 -0.000) 0.000 11.610 ( 0.000 -0.000 -0.000) 0.000 13.028 ( 0.000 -0.000 -0.000) 0.000 13.076 ( 0.000 -0.000 -0.000) 0.000 13.445 ( 0.000 -0.000 -0.000) 0.000 13.545 ( 0.000 -0.000 -0.000) 0.000 13.599 ( 0.000 -0.000 -0.000) 0.000 13.613 ( 0.000 -0.000 -0.000) 0.000 14.028 ( 0.000 -0.000 -0.000) 0.000 14.029 ( 0.000 -0.000 -0.000) 0.000 14.412 ( 0.000 -0.000 -0.000) 0.000 14.556 ( 0.000 -0.000 -0.000) 0.000 14.950 ( 0.000 -0.000 -0.000) 0.000 15.183 ( 0.000 -0.000 -0.000) 0.000 15.522 ( 0.000 -0.000 -0.000) 0.000 15.735 ( 0.000 -0.000 -0.000) 0.000 15.746 ( 0.000 -0.000 -0.000) 0.000 16.084 ( 0.000 -0.000 -0.000) 0.000 16.589 ( 0.000 -0.000 -0.000) 0.000 16.670 ( 0.000 -0.000 -0.000) 0.000 16.735 ( 0.000 -0.000 -0.000) 0.000 16.784 ( 0.000 -0.000 -0.000) 0.000 19.155 ( 0.000 -0.000 -0.000) 0.000 19.385 ( 0.000 -0.000 -0.000) 0.000 20.249 ( 0.000 -0.000 -0.000) 0.000 20.802 ( 0.000 -0.000 -0.000) 0.000 21.033 ( 0.000 -0.000 -0.000) 0.000 21.641 ( 0.000 -0.000 -0.000) 0.000 22.933 ( 0.000 -0.000 -0.000) 0.000 23.438 ( 0.000 -0.000 -0.000) 0.000 26.759 ( 0.000 -0.000 -0.000) 0.000 26.777 ( 0.000 -0.000 -0.000) 0.000 29.396 ( 0.000 -0.000 -0.000) 0.000 29.438 ( 0.000 -0.000 -0.000) 0.000 29.806 ( 0.000 -0.000 -0.000) 0.000 30.857 ( 0.000 -0.000 -0.000) 0.000 30.874 ( 0.000 -0.000 -0.000) 0.000 31.157 ( 0.000 -0.000 -0.000) 0.000 31.349 ( 0.000 -0.000 -0.000) 0.000 32.126 ( 0.000 -0.000 -0.000) 0.000 32.219 ( 0.000 -0.000 -0.000) 0.000 32.342 ( 0.000 -0.000 -0.000) 0.000 32.392 ( 0.000 -0.000 -0.000) 0.000 32.788 ( 0.000 -0.000 -0.000) 0.000 33.522 ( 0.000 -0.000 -0.000) 0.000 34.032 ( 0.000 -0.000 -0.000) 0.000 35.538 ( 0.000 -0.000 -0.000) 0.000 35.756 ( 0.000 -0.000 -0.000) 0.000 36.025 ( 0.000 -0.000 -0.000) 0.000 36.153 ( 0.000 -0.000 -0.000) 0.000 36.691 ( 0.000 -0.000 -0.000) 0.000 36.771 ( 0.000 -0.000 -0.000) 0.000 37.608 ( 0.000 -0.000 -0.000) 0.000 38.399 ( 0.000 -0.000 -0.000) 0.000 ======================= Grid point 69 (22/93) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.397 ( 13.997 0.000 13.448) 19.410 0.434 ( 6.333 0.000 18.117) 19.192 0.677 ( 30.224 0.000 12.315) 32.637 1.040 ( 3.125 0.000 48.335) 48.436 1.222 ( 0.605 0.000 4.431) 4.472 2.058 ( -7.487 -0.000 -19.341) 20.740 2.429 ( -4.067 -0.000 -18.871) 19.305 2.576 ( 3.948 0.000 -0.609) 3.994 2.742 ( 3.043 0.000 2.956) 4.242 2.938 ( -1.177 -0.000 12.537) 12.592 3.180 ( 4.010 0.000 -0.677) 4.066 3.465 ( -4.070 -0.000 -1.558) 4.358 3.485 ( -8.079 -0.000 10.050) 12.895 3.520 ( -3.075 -0.000 2.556) 3.998 3.677 ( 8.992 0.000 -10.866) 14.104 3.909 ( -2.815 -0.000 6.089) 6.708 4.068 ( -2.066 -0.000 -0.663) 2.169 4.214 ( 5.851 0.000 -8.149) 10.031 4.399 ( -6.285 -0.000 1.141) 6.388 4.489 ( 1.509 0.000 1.003) 1.812 4.501 ( -8.557 -0.000 2.976) 9.060 4.788 ( 0.430 0.000 -3.158) 3.188 4.810 ( 1.953 0.000 -6.643) 6.924 4.854 ( -2.711 -0.000 5.391) 6.035 5.060 ( 4.540 0.000 6.059) 7.571 5.223 ( 1.248 0.000 -9.334) 9.418 5.272 ( 1.119 0.000 4.601) 4.736 5.361 ( -0.416 -0.000 -2.536) 2.569 5.425 ( 0.283 0.000 0.801) 0.850 5.798 ( -0.343 -0.000 -4.983) 4.995 6.020 ( -0.331 -0.000 5.729) 5.738 6.219 ( 3.159 0.000 0.562) 3.208 6.503 ( -4.838 -0.000 -1.227) 4.991 6.680 ( 8.687 0.000 -9.466) 12.848 6.952 ( 2.789 0.000 1.832) 3.337 7.073 ( 14.592 0.000 4.852) 15.377 7.162 ( -3.945 -0.000 -0.706) 4.008 7.387 ( 3.453 0.000 -0.642) 3.512 7.505 ( -0.299 -0.000 2.611) 2.628 7.720 ( 0.821 0.000 -3.771) 3.859 8.968 ( 0.570 0.000 -0.780) 0.966 8.976 ( 1.566 0.000 -0.795) 1.756 9.052 ( 5.226 0.000 0.694) 5.271 9.120 ( -1.422 -0.000 -0.692) 1.582 9.247 ( 1.533 0.000 1.869) 2.417 9.389 ( -0.766 -0.000 -1.345) 1.548 9.882 ( -13.745 -0.000 -0.689) 13.763 9.932 ( 5.673 0.000 -2.872) 6.359 10.137 ( 1.872 0.000 2.954) 3.497 10.196 ( -6.099 -0.000 2.606) 6.632 10.453 ( 1.520 0.000 2.871) 3.249 10.698 ( -1.376 -0.000 -2.445) 2.806 11.141 ( 1.339 0.000 1.071) 1.715 11.232 ( 0.549 0.000 -0.494) 0.739 11.624 ( 1.587 0.000 -0.958) 1.853 11.626 ( -1.503 -0.000 -1.503) 2.126 13.265 ( -0.663 -0.000 0.394) 0.771 13.303 ( 0.886 0.000 -0.382) 0.964 13.348 ( -0.025 -0.000 -0.560) 0.561 13.385 ( -0.939 -0.000 -2.035) 2.241 13.581 ( 3.722 0.000 0.517) 3.758 13.605 ( -27.649 -0.000 0.679) 27.658 13.798 ( 1.271 0.000 1.109) 1.687 13.861 ( -1.906 -0.000 -0.195) 1.916 14.167 ( 0.599 0.000 0.787) 0.989 14.207 ( 2.476 0.000 -0.319) 2.496 14.308 ( -1.117 -0.000 1.340) 1.745 14.384 ( -0.039 -0.000 -0.560) 0.561 15.337 ( -6.324 -0.000 0.957) 6.396 15.427 ( -0.568 -0.000 -1.014) 1.162 15.652 ( 0.638 0.000 0.145) 0.654 15.670 ( -0.089 -0.000 -0.258) 0.273 16.559 ( -3.083 -0.000 -1.479) 3.420 16.609 ( 8.415 0.000 -1.854) 8.616 16.651 ( 3.216 0.000 2.256) 3.929 16.712 ( -3.155 -0.000 0.187) 3.161 19.566 ( -2.144 -0.000 1.065) 2.394 19.668 ( 1.967 0.000 -1.296) 2.356 20.042 ( -8.059 -0.000 1.898) 8.279 20.212 ( 2.304 0.000 -1.991) 3.045 21.428 ( -11.473 -0.000 2.510) 11.744 21.669 ( 1.272 0.000 -2.941) 3.204 23.165 ( -0.726 -0.000 5.187) 5.238 23.569 ( 0.382 0.000 -3.906) 3.924 26.758 ( 0.315 0.000 0.042) 0.318 26.761 ( -0.300 -0.000 -0.040) 0.302 28.924 ( 0.704 0.000 1.914) 2.039 29.096 ( -1.822 -0.000 -1.792) 2.555 29.454 ( -1.189 -0.000 1.125) 1.637 29.590 ( -16.867 -0.000 -1.996) 16.984 30.719 ( 0.732 0.000 1.495) 1.665 30.823 ( -0.363 -0.000 -0.889) 0.961 31.142 ( 0.698 0.000 1.625) 1.769 31.331 ( -1.332 -0.000 -2.476) 2.812 32.185 ( -0.285 -0.000 0.341) 0.444 32.224 ( 0.696 0.000 -0.520) 0.869 32.538 ( 10.159 0.000 -0.468) 10.170 32.547 ( 0.958 0.000 -1.039) 1.414 33.545 ( -1.496 -0.000 7.919) 8.059 34.170 ( 0.700 0.000 -6.414) 6.452 35.577 ( 1.137 0.000 3.240) 3.433 35.873 ( -0.402 -0.000 -3.228) 3.253 36.082 ( 17.228 0.000 0.923) 17.253 36.256 ( -3.408 -0.000 -2.164) 4.037 36.272 ( -1.112 -0.000 7.224) 7.309 36.787 ( 1.323 0.000 -5.134) 5.302 39.078 ( -5.052 -0.000 2.412) 5.598 39.255 ( 2.085 0.000 -1.519) 2.579 ======================= Grid point 70 (23/93) ======================= q-point: ( 0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.703 ( 14.475 -4.284 2.342) 15.276 0.880 ( 16.925 -6.486 0.391) 18.129 1.120 ( 9.375 5.308 20.756) 23.386 1.312 ( 19.867 -2.320 11.936) 23.293 1.603 ( 12.455 -19.210 31.803) 39.186 2.015 ( 11.514 -9.179 -19.854) 24.718 2.245 ( -1.630 1.924 -19.404) 19.567 2.692 ( 6.991 -4.421 -10.858) 13.650 2.855 ( 5.296 -0.019 5.319) 7.506 3.032 ( 7.424 -0.516 5.132) 9.040 3.242 ( -5.408 7.857 0.166) 9.540 3.324 ( 2.806 -0.399 4.215) 5.079 3.423 ( -0.980 1.385 -0.495) 1.767 3.543 ( -5.653 -6.476 9.950) 13.149 3.792 ( 6.643 -3.105 -8.522) 11.243 3.871 ( -5.365 0.688 9.168) 10.645 3.993 ( -2.832 -1.348 -9.142) 9.665 4.256 ( -11.943 4.781 8.373) 15.349 4.277 ( 9.344 -2.530 -9.846) 13.808 4.438 ( -1.621 1.697 -0.602) 2.423 4.479 ( -3.420 0.217 3.609) 4.976 4.727 ( -5.784 5.887 0.742) 8.286 4.818 ( 0.646 0.027 -0.716) 0.964 4.864 ( -3.142 -6.084 1.067) 6.930 5.146 ( -1.633 1.449 -0.755) 2.310 5.162 ( -2.920 -0.532 2.127) 3.652 5.241 ( -0.737 1.889 0.120) 2.031 5.349 ( -3.655 -5.032 -3.659) 7.216 5.447 ( 4.126 2.348 -1.327) 4.929 5.668 ( -7.692 2.578 -4.490) 9.272 5.937 ( -9.121 4.374 3.256) 10.626 6.032 ( -11.274 11.183 3.505) 16.262 6.418 ( -2.500 2.265 -1.421) 3.661 6.676 ( -0.489 2.017 -7.103) 7.400 6.893 ( -15.770 3.908 5.167) 17.049 6.988 ( -2.491 3.312 4.437) 6.071 7.070 ( -4.652 2.093 -4.459) 6.775 7.380 ( -3.584 -3.869 3.180) 6.159 7.579 ( 6.973 3.844 1.725) 8.147 7.743 ( 4.618 2.350 -3.623) 6.323 8.923 ( -1.725 5.053 -1.132) 5.458 8.972 ( -0.099 0.257 -0.760) 0.808 9.143 ( 5.413 4.799 0.649) 7.263 9.217 ( 13.233 -3.369 1.135) 13.703 9.319 ( 5.446 -0.420 1.690) 5.718 9.400 ( 1.208 -3.150 -2.722) 4.335 9.761 ( -1.723 2.156 -2.011) 3.415 9.975 ( 0.149 -0.112 -0.181) 0.259 10.105 ( -2.805 3.771 0.556) 4.733 10.179 ( 0.233 -2.676 3.125) 4.121 10.453 ( -6.467 -3.372 3.502) 8.090 10.633 ( -5.817 -3.218 -3.731) 7.623 11.218 ( 7.453 2.749 0.712) 7.976 11.310 ( 5.485 -0.981 -0.484) 5.593 11.611 ( 2.792 0.593 -1.972) 3.469 11.650 ( 3.430 2.125 -0.094) 4.036 13.231 ( -3.759 -0.061 -0.293) 3.771 13.248 ( -1.904 -0.828 -0.858) 2.247 13.295 ( -5.403 4.545 -0.436) 7.074 13.401 ( 1.874 -2.576 -0.218) 3.193 13.616 ( 12.174 8.956 -0.620) 15.126 13.769 ( -5.309 5.192 0.020) 7.426 13.833 ( 0.622 -1.605 1.163) 2.077 13.968 ( 25.439 -11.303 -3.091) 28.008 14.037 ( -7.935 -1.364 -0.691) 8.081 14.170 ( -7.713 -8.410 0.178) 11.413 14.459 ( 5.377 -7.659 1.605) 9.494 14.601 ( 2.494 -24.955 -6.905) 26.013 15.339 ( 2.569 -1.093 0.031) 2.792 15.387 ( -2.761 -3.051 -1.056) 4.248 15.693 ( 3.255 0.957 -0.010) 3.393 15.728 ( 6.223 0.328 -0.024) 6.232 16.524 ( -0.696 -1.122 -1.296) 1.850 16.673 ( -0.143 0.119 -1.786) 1.796 16.722 ( 2.975 -0.457 2.197) 3.726 16.786 ( 11.606 -0.388 -6.634) 13.373 19.477 ( -6.632 3.398 -0.148) 7.453 19.636 ( -2.491 2.332 -0.767) 3.497 20.010 ( -0.561 -1.457 1.732) 2.331 20.290 ( 3.691 -6.449 -2.839) 7.955 21.275 ( -7.450 2.737 8.487) 11.620 21.667 ( 1.096 0.804 -2.952) 3.250 23.172 ( -1.495 1.642 5.861) 6.268 23.549 ( 0.807 0.015 -4.454) 4.527 26.748 ( -0.703 0.870 -0.100) 1.123 26.770 ( 0.464 -1.027 0.095) 1.131 29.013 ( -1.948 -3.861 -0.155) 4.328 29.238 ( 2.971 -19.923 -1.810) 20.225 29.538 ( 9.245 -0.924 2.348) 9.584 29.991 ( 41.917 -12.179 -25.315) 50.460 30.731 ( -1.296 0.121 1.850) 2.262 30.803 ( -1.765 -1.335 -1.239) 2.536 31.133 ( -3.573 -0.086 2.421) 4.316 31.266 ( -5.429 -3.006 -3.210) 6.986 32.211 ( 2.251 -0.868 0.190) 2.420 32.239 ( 1.125 -0.309 -0.577) 1.302 32.562 ( 2.830 0.869 -0.593) 3.019 32.713 ( 11.537 -3.362 -9.068) 15.055 33.568 ( -2.103 -0.007 8.744) 8.993 34.123 ( -0.246 1.279 -7.216) 7.332 35.628 ( 2.276 0.183 4.400) 4.957 35.840 ( -1.095 -0.533 -4.385) 4.551 36.187 ( -1.970 -0.588 -3.430) 3.999 36.240 ( 1.281 0.242 3.514) 3.748 36.364 ( 8.201 -2.245 -2.509) 8.865 36.776 ( 1.573 0.140 -5.578) 5.797 38.516 ( -36.946 23.021 30.852) 53.355 39.183 ( -5.715 5.934 -2.388) 8.578 ======================= Grid point 71 (24/93) ======================= q-point: ( 0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.911 ( 5.684 -6.995 -6.898) 11.350 1.028 ( 4.517 0.945 0.026) 4.615 1.391 ( 14.520 1.371 15.164) 21.039 1.824 ( 18.445 -10.902 14.775) 26.027 1.943 ( -0.901 -1.282 -8.945) 9.081 2.246 ( 14.583 -10.138 -8.601) 19.734 2.317 ( 14.293 -8.333 6.146) 17.649 2.645 ( -6.098 -3.716 -15.178) 16.774 2.988 ( 11.239 -0.417 1.933) 11.411 3.048 ( -3.951 10.578 4.598) 12.192 3.214 ( 6.116 -2.659 1.139) 6.765 3.344 ( -1.024 6.586 -1.041) 6.746 3.483 ( 1.741 -7.921 1.765) 8.300 3.628 ( -0.482 -6.765 9.386) 11.580 3.757 ( 0.707 6.378 -1.448) 6.578 3.849 ( -6.859 2.487 9.190) 11.734 4.015 ( 2.608 -12.550 -12.791) 18.109 4.077 ( -5.569 8.464 7.545) 12.632 4.316 ( -8.018 6.084 1.005) 10.115 4.389 ( 6.085 -2.814 -7.249) 9.874 4.483 ( -2.938 1.582 2.986) 4.478 4.554 ( -5.305 1.686 4.858) 7.388 4.769 ( -3.929 -0.254 0.613) 3.985 4.910 ( 0.080 -4.951 1.119) 5.076 4.963 ( -10.153 4.614 1.750) 11.289 5.134 ( -6.198 0.993 2.679) 6.825 5.183 ( -4.372 1.310 -7.989) 9.200 5.348 ( 1.957 -0.680 -1.621) 2.631 5.457 ( 1.362 1.696 -2.938) 3.656 5.570 ( -2.864 -3.791 -4.553) 6.581 5.734 ( -8.269 0.968 -1.071) 8.394 5.825 ( -5.379 7.987 4.122) 10.474 6.348 ( -1.417 5.732 0.352) 5.915 6.513 ( -12.271 -0.487 0.287) 12.284 6.708 ( -8.357 0.119 -0.921) 8.408 6.894 ( -9.227 -2.857 -0.201) 9.661 7.017 ( 3.827 3.566 -0.307) 5.240 7.435 ( 2.872 -1.676 1.987) 3.874 7.610 ( 1.971 7.584 0.688) 7.867 7.765 ( 4.777 2.718 -2.252) 5.940 8.841 ( -0.468 4.807 -1.219) 4.981 8.975 ( -0.101 -1.505 -1.160) 1.903 9.153 ( 2.077 5.058 0.641) 5.505 9.382 ( 0.157 -0.610 -2.986) 3.052 9.472 ( 10.112 0.455 1.433) 10.224 9.503 ( 13.365 -1.705 -0.005) 13.473 9.722 ( 1.126 1.164 -2.900) 3.321 9.940 ( -5.071 -1.903 3.158) 6.270 10.056 ( 1.783 6.385 0.330) 6.638 10.227 ( -1.219 -3.771 1.020) 4.092 10.364 ( -10.586 -3.269 2.213) 11.298 10.564 ( -4.283 -6.542 -3.345) 8.505 11.325 ( 8.049 2.363 1.022) 8.450 11.380 ( 4.554 1.833 0.598) 4.945 11.677 ( 4.250 0.957 -0.553) 4.392 11.712 ( 7.502 0.042 -0.565) 7.523 13.056 ( -14.237 7.994 -0.626) 16.340 13.158 ( -3.878 1.489 -0.460) 4.179 13.279 ( 1.398 -3.683 0.340) 3.954 13.473 ( 1.480 -4.852 0.417) 5.090 13.596 ( -6.083 5.067 -0.528) 7.935 13.714 ( 13.448 13.205 -0.105) 18.847 13.869 ( 0.881 -1.229 1.723) 2.293 13.968 ( -1.389 -2.203 -1.355) 2.936 14.120 ( -11.361 -11.966 0.150) 16.501 14.338 ( 9.358 -1.504 0.183) 9.480 14.573 ( -1.746 -5.039 0.282) 5.340 14.862 ( 6.969 -21.783 -2.531) 23.010 15.406 ( 3.316 -3.903 -0.021) 5.122 15.446 ( 4.889 -4.877 -1.218) 7.011 15.730 ( 2.322 1.686 0.374) 2.894 15.799 ( 3.530 2.164 -0.041) 4.141 16.546 ( 2.253 -1.671 -0.759) 2.906 16.673 ( 1.085 -1.142 -1.743) 2.349 16.771 ( 1.071 0.427 1.975) 2.286 16.893 ( 6.307 -0.180 -5.332) 8.260 19.320 ( -6.230 4.485 -0.940) 7.734 19.551 ( -3.998 2.421 -1.019) 4.783 20.035 ( 0.385 -1.580 1.215) 2.030 20.401 ( 3.922 -5.951 -2.500) 7.553 21.221 ( -3.378 1.927 7.429) 8.385 21.654 ( 1.253 1.695 -3.011) 3.675 23.165 ( -0.896 2.600 5.505) 6.153 23.549 ( 1.346 -1.886 -3.944) 4.574 26.723 ( -0.892 1.290 -0.133) 1.574 26.792 ( 0.645 -1.434 0.089) 1.575 29.007 ( -0.195 0.634 -0.160) 0.683 29.465 ( 3.744 -14.441 0.409) 14.924 29.814 ( 16.263 -3.571 8.605) 18.743 30.495 ( 27.376 -8.163 -23.401) 36.928 30.665 ( -6.327 2.175 0.492) 6.709 30.802 ( -0.869 -3.109 -0.137) 3.231 31.066 ( -4.811 1.058 1.372) 5.114 31.219 ( -4.382 -6.692 -1.076) 8.071 32.239 ( 0.457 0.259 -0.003) 0.525 32.273 ( 2.225 -1.508 -0.005) 2.688 32.598 ( 2.674 0.462 -0.946) 2.874 32.863 ( 10.713 -3.520 -10.903) 15.686 33.587 ( -2.309 -0.054 8.953) 9.246 34.055 ( -0.456 1.706 -7.089) 7.305 35.696 ( 2.874 0.542 4.679) 5.518 35.791 ( -2.281 -1.276 -5.538) 6.124 36.158 ( -0.723 -3.659 -5.926) 7.003 36.251 ( -2.697 0.387 6.618) 7.156 36.486 ( 7.854 -0.507 -5.143) 9.402 36.768 ( 1.833 -0.257 -5.573) 5.872 38.028 ( -24.907 16.216 31.997) 43.671 38.950 ( -9.462 8.378 -6.108) 14.037 ======================= Grid point 72 (25/93) ======================= q-point: ( 0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( 3.421 -2.489 -4.247) 5.994 1.053 ( 0.187 0.540 -2.306) 2.376 1.649 ( 8.240 1.703 -4.091) 9.356 1.815 ( 3.486 -1.531 -2.997) 4.846 2.309 ( 14.408 -8.476 9.365) 19.161 2.439 ( 1.467 -6.830 -4.538) 8.330 2.504 ( -2.269 2.589 -2.602) 4.315 2.585 ( 4.181 -8.201 0.477) 9.218 2.875 ( -10.435 4.257 5.781) 12.667 3.177 ( 1.655 9.737 -4.661) 10.922 3.279 ( 6.301 -0.006 4.477) 7.730 3.326 ( 6.453 -0.880 -1.971) 6.805 3.558 ( -0.733 -4.467 2.104) 4.992 3.635 ( -4.488 -2.022 4.158) 6.443 3.746 ( -4.059 4.536 2.104) 6.440 3.803 ( 0.255 -0.724 3.291) 3.380 3.978 ( 0.063 2.634 -2.275) 3.481 4.051 ( 1.181 6.345 3.547) 7.364 4.167 ( -2.863 1.002 -4.574) 5.489 4.383 ( -4.771 -3.594 1.001) 6.057 4.407 ( -3.848 -5.474 -3.724) 7.658 4.666 ( 6.970 0.721 4.032) 8.085 4.733 ( -2.475 1.552 4.208) 5.123 4.870 ( 0.238 -1.140 5.331) 5.457 4.955 ( -0.946 -1.130 1.336) 1.989 5.000 ( -6.129 0.604 -2.392) 6.607 5.083 ( -1.175 0.014 -3.622) 3.808 5.261 ( -9.188 0.530 -4.293) 10.155 5.418 ( -1.950 0.232 0.651) 2.068 5.556 ( 2.068 -1.146 -5.010) 5.540 5.698 ( -4.116 4.153 4.139) 7.164 5.785 ( 4.396 -7.103 -2.704) 8.780 6.257 ( -2.256 6.776 0.860) 7.193 6.358 ( -7.430 0.237 0.495) 7.450 6.601 ( -4.900 -2.589 -1.627) 5.776 6.813 ( -3.865 -2.890 -0.957) 4.920 7.051 ( 2.500 2.443 2.495) 4.295 7.486 ( 2.483 0.713 -2.118) 3.341 7.521 ( -2.284 7.216 1.052) 7.641 7.818 ( 4.649 1.023 -0.916) 4.848 8.806 ( 1.316 2.132 -1.782) 3.075 8.943 ( -2.580 1.713 -0.917) 3.230 9.171 ( 3.583 -0.281 -0.605) 3.644 9.349 ( -1.118 0.214 -2.996) 3.205 9.603 ( 9.833 4.638 -1.364) 10.958 9.685 ( 1.950 -1.134 0.769) 2.383 9.744 ( 8.225 0.912 -1.407) 8.394 9.933 ( -3.195 -4.577 3.623) 6.654 10.013 ( -0.526 5.590 2.393) 6.104 10.194 ( -5.606 -1.453 -0.690) 5.832 10.228 ( -10.334 -2.542 0.975) 10.687 10.614 ( 2.646 -6.704 -2.691) 7.693 11.423 ( 4.878 1.114 1.574) 5.246 11.459 ( 6.222 0.126 0.644) 6.257 11.712 ( 2.531 1.778 0.075) 3.094 11.830 ( 5.569 -0.504 -0.398) 5.606 12.719 ( -14.718 7.600 -0.141) 16.565 13.101 ( -1.456 0.843 -0.356) 1.720 13.344 ( 0.034 -5.506 0.377) 5.519 13.453 ( -2.670 5.131 0.490) 5.804 13.559 ( 1.256 -3.141 -0.448) 3.412 13.791 ( 11.040 10.463 -0.336) 15.214 13.890 ( 1.531 1.899 -0.605) 2.513 13.993 ( -1.324 -4.828 -0.048) 5.006 14.067 ( -8.174 -10.524 0.749) 13.347 14.382 ( -2.138 0.214 0.885) 2.324 14.548 ( -3.128 -1.227 -0.278) 3.372 15.144 ( 6.728 -9.481 -0.417) 11.633 15.517 ( 4.077 -5.216 -0.796) 6.668 15.580 ( 5.359 -4.453 0.273) 6.973 15.729 ( 0.018 2.844 0.802) 2.955 15.794 ( -0.794 2.522 0.237) 2.655 16.606 ( 3.321 -1.824 -0.825) 3.877 16.707 ( 1.660 -1.789 -0.686) 2.535 16.765 ( -1.549 1.791 1.478) 2.791 16.936 ( 2.684 -0.031 -3.335) 4.281 19.208 ( -2.113 2.886 -0.263) 3.586 19.462 ( -3.258 1.281 -1.397) 3.769 20.065 ( 0.099 -1.641 1.599) 2.293 20.489 ( 2.738 -2.976 -1.833) 4.440 21.207 ( -2.025 1.122 6.437) 6.840 21.640 ( 1.446 1.403 -3.193) 3.776 23.163 ( 0.022 2.895 5.155) 5.912 23.573 ( 0.857 -3.040 -3.006) 4.360 26.697 ( -0.633 0.903 -0.139) 1.111 26.815 ( 0.470 -0.999 0.008) 1.104 28.998 ( 0.229 0.939 0.209) 0.989 29.655 ( 5.588 -7.403 -0.079) 9.275 30.127 ( 6.908 -4.085 12.046) 14.474 30.518 ( -6.521 4.586 0.287) 7.977 30.770 ( 13.019 -0.305 -9.702) 16.239 30.833 ( 3.443 -4.787 -3.655) 6.937 31.004 ( -1.311 1.900 0.333) 2.332 31.251 ( -2.046 -8.705 3.064) 9.452 32.242 ( -0.115 -0.191 0.992) 1.017 32.315 ( 1.188 -0.882 0.220) 1.496 32.619 ( 1.971 1.212 -1.524) 2.771 32.985 ( 7.344 -4.625 -10.704) 13.781 33.607 ( -2.127 0.118 8.803) 9.057 34.001 ( 0.784 0.837 -5.833) 5.944 35.703 ( -3.238 -0.900 -4.959) 5.991 35.784 ( 2.947 0.029 2.293) 3.734 36.152 ( -0.282 -5.485 -9.558) 11.024 36.240 ( -3.191 1.181 8.213) 8.890 36.558 ( 5.283 0.960 -4.895) 7.266 36.774 ( 2.320 -0.662 -4.430) 5.045 37.735 ( -16.669 12.695 24.078) 31.919 38.703 ( -5.710 4.268 -8.112) 10.800 ======================= Grid point 73 (26/93) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( 1.121 0.976 -4.611) 4.844 1.056 ( 2.888 -1.057 -1.650) 3.490 1.705 ( 10.166 -2.196 -4.855) 11.477 1.972 ( 3.524 -1.489 1.508) 4.112 2.241 ( -14.183 2.031 -7.314) 16.087 2.308 ( -13.790 7.177 -6.097) 16.698 2.624 ( 7.828 -3.268 5.826) 10.290 2.745 ( -5.631 1.954 7.300) 9.424 2.818 ( 5.923 -7.886 2.887) 10.276 3.025 ( 0.461 8.332 0.360) 8.353 3.361 ( 2.854 2.747 0.367) 3.978 3.411 ( 0.248 -7.854 0.184) 7.860 3.527 ( -2.913 -0.235 1.024) 3.097 3.625 ( -0.974 4.154 -3.235) 5.355 3.702 ( -1.797 -2.909 2.791) 4.414 3.803 ( -0.408 1.636 0.485) 1.754 3.922 ( -3.514 2.911 -2.150) 5.045 4.052 ( 1.835 5.152 -0.285) 5.476 4.191 ( 9.187 2.984 2.529) 9.985 4.328 ( -0.410 0.324 1.260) 1.364 4.457 ( -2.274 -11.412 0.403) 11.643 4.659 ( 0.223 1.847 -2.284) 2.946 4.742 ( -8.600 3.201 3.272) 9.742 4.811 ( -0.200 -1.434 2.025) 2.489 4.968 ( -4.210 -3.239 2.630) 5.927 5.045 ( 6.099 1.940 -2.850) 7.006 5.149 ( 9.705 -2.871 5.370) 11.457 5.174 ( -0.596 -4.149 -0.131) 4.193 5.384 ( -2.395 0.794 1.649) 3.014 5.534 ( -0.050 1.573 -5.630) 5.846 5.613 ( -3.023 3.026 -1.528) 4.542 5.912 ( 2.360 -3.843 -0.138) 4.512 6.167 ( -0.572 4.392 -0.610) 4.471 6.285 ( -0.849 1.056 -0.103) 1.359 6.590 ( -0.816 -5.567 -0.437) 5.643 6.812 ( 1.080 -1.926 -0.675) 2.309 7.070 ( 0.063 1.651 3.965) 4.295 7.457 ( -0.655 1.442 -1.174) 1.971 7.469 ( -0.080 1.509 -2.490) 2.913 7.854 ( 0.244 -0.299 -0.417) 0.568 8.794 ( 0.299 0.945 -2.656) 2.835 8.922 ( 3.571 0.537 -0.137) 3.614 9.206 ( 0.049 1.261 -0.977) 1.596 9.333 ( 0.493 -2.358 -2.168) 3.241 9.668 ( 2.153 1.686 -0.452) 2.772 9.692 ( 1.726 0.197 -2.820) 3.312 9.820 ( -0.726 -0.207 -1.068) 1.308 9.923 ( -8.241 -3.930 4.749) 10.291 9.984 ( -0.182 1.539 3.265) 3.614 10.131 ( -0.583 -0.239 -1.550) 1.674 10.154 ( 1.853 1.379 0.610) 2.389 10.680 ( 1.196 -1.350 -1.956) 2.660 11.466 ( -0.526 -0.039 1.783) 1.859 11.525 ( -0.438 0.320 0.197) 0.577 11.734 ( 1.428 0.599 0.843) 1.763 11.876 ( 0.432 0.079 -0.467) 0.641 12.540 ( 0.281 0.068 0.059) 0.295 13.087 ( 0.386 0.115 -0.222) 0.460 13.380 ( -0.147 1.347 0.267) 1.381 13.397 ( -0.337 -1.512 0.215) 1.564 13.587 ( -0.031 -0.414 -0.210) 0.465 13.830 ( 1.316 1.791 -0.606) 2.304 13.883 ( -0.771 0.370 -1.546) 1.767 13.977 ( -0.196 -0.130 -0.592) 0.637 14.096 ( -0.928 -2.180 2.151) 3.201 14.347 ( -0.700 0.478 0.606) 1.042 14.529 ( 0.427 -0.109 0.327) 0.549 15.238 ( -0.287 0.207 -0.853) 0.923 15.584 ( 1.228 1.976 -1.623) 2.836 15.669 ( 0.265 -1.902 -0.485) 1.980 15.717 ( -0.238 -1.791 1.903) 2.624 15.750 ( -0.845 1.600 1.073) 2.104 16.673 ( 2.831 -1.751 -0.631) 3.388 16.695 ( -2.422 2.254 -0.718) 3.386 16.751 ( -0.238 -0.604 1.439) 1.579 16.947 ( 0.667 -1.038 -2.622) 2.898 19.195 ( 2.041 0.335 0.962) 2.281 19.418 ( -0.297 -0.674 -1.935) 2.071 20.089 ( -0.676 -1.780 2.089) 2.826 20.522 ( 1.485 0.942 -1.615) 2.388 21.209 ( -1.979 0.042 6.348) 6.650 21.633 ( 1.507 0.455 -3.422) 3.767 23.170 ( 0.634 3.363 5.197) 6.222 23.591 ( -0.337 -2.982 -2.531) 3.926 26.686 ( -0.025 -0.083 -0.145) 0.169 26.824 ( -0.051 -0.023 -0.055) 0.079 29.000 ( 0.288 0.075 0.509) 0.589 29.745 ( -0.310 0.155 -0.679) 0.762 30.217 ( -8.662 -3.925 9.208) 13.237 30.430 ( 3.358 6.359 1.326) 7.312 30.811 ( 1.557 1.745 -0.310) 2.359 30.948 ( 3.431 -2.090 -2.856) 4.929 31.008 ( 9.508 6.148 -3.494) 11.850 31.360 ( -1.219 -10.576 7.746) 13.166 32.257 ( 0.180 -0.490 2.306) 2.364 32.330 ( -0.142 -0.239 0.397) 0.484 32.620 ( 1.174 1.505 -1.584) 2.480 33.047 ( 2.372 -5.356 -10.750) 12.242 33.620 ( -2.290 1.020 7.973) 8.358 34.004 ( 3.258 -1.222 -3.882) 5.213 35.622 ( -3.325 -1.252 -6.293) 7.227 35.844 ( 2.898 0.638 2.213) 3.702 36.125 ( -1.785 -6.209 -13.993) 15.412 36.231 ( -2.797 1.532 8.816) 9.375 36.576 ( 2.940 2.539 -4.629) 6.043 36.796 ( 2.201 -0.524 -2.990) 3.749 37.515 ( -11.806 11.423 17.964) 24.343 38.623 ( 2.329 -3.207 -6.830) 7.896 ======================= Grid point 74 (27/93) ======================= q-point: (-0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.992 ( 0.051 0.828 -4.209) 4.290 1.083 ( 1.991 0.687 -1.778) 2.756 1.626 ( -16.599 17.384 -8.022) 25.340 1.775 ( -17.556 16.356 -3.041) 24.186 2.089 ( -11.419 0.772 2.673) 11.754 2.131 ( 10.482 -8.350 -4.254) 14.060 2.607 ( -6.559 -3.376 4.760) 8.779 2.752 ( -0.450 -5.272 -2.670) 5.927 2.973 ( -0.938 -0.317 10.276) 10.323 3.043 ( 7.696 5.815 -3.746) 10.348 3.307 ( -4.978 2.786 -4.774) 7.439 3.501 ( -3.269 -3.126 -1.918) 4.913 3.521 ( 1.198 -5.021 2.326) 5.662 3.599 ( 0.936 3.014 6.550) 7.270 3.680 ( -0.737 -7.132 3.514) 7.985 3.786 ( -4.142 1.609 1.516) 4.695 3.844 ( 1.051 2.880 -3.275) 4.486 4.065 ( 7.682 4.499 -3.341) 9.508 4.176 ( -5.916 2.139 5.075) 8.082 4.475 ( 12.634 2.655 1.191) 12.964 4.512 ( -2.032 -5.519 2.230) 6.289 4.607 ( 0.155 1.879 0.813) 2.053 4.721 ( 3.335 -4.703 -2.551) 6.305 4.849 ( -0.043 -2.015 3.091) 3.690 4.940 ( -4.060 -1.494 3.804) 5.761 5.069 ( 2.295 4.850 1.998) 5.725 5.230 ( 5.257 -2.788 -4.734) 7.603 5.338 ( 2.204 -0.454 -3.736) 4.361 5.441 ( 7.340 -2.135 7.085) 10.423 5.501 ( 1.981 1.178 -2.252) 3.222 5.511 ( -0.845 0.901 -6.078) 6.202 5.881 ( -3.879 4.383 0.660) 5.890 6.196 ( 5.239 -1.441 -0.527) 5.459 6.307 ( 4.331 0.188 -0.071) 4.336 6.661 ( 1.692 -6.465 -1.556) 6.862 6.880 ( 5.780 -0.634 1.301) 5.959 7.075 ( -1.485 0.090 4.504) 4.743 7.357 ( -3.270 4.595 -6.672) 8.736 7.526 ( 1.765 -7.256 1.286) 7.577 7.829 ( -3.763 -1.843 -0.630) 4.237 8.777 ( 0.568 -0.574 -2.370) 2.503 9.034 ( 7.384 -0.616 2.005) 7.676 9.141 ( -2.775 2.695 -1.796) 4.265 9.354 ( -0.723 -3.200 -3.637) 4.898 9.608 ( -7.906 -3.601 -2.804) 9.129 9.687 ( -14.798 -2.469 1.595) 15.087 9.734 ( 6.342 3.115 -0.928) 7.126 9.890 ( -2.499 -0.094 1.902) 3.142 10.006 ( 0.096 -1.949 3.702) 4.184 10.129 ( 3.417 1.077 -1.871) 4.042 10.261 ( 9.313 2.200 0.715) 9.596 10.651 ( -0.748 4.505 -1.504) 4.809 11.428 ( -5.847 -1.053 1.460) 6.118 11.449 ( -6.307 0.435 0.484) 6.341 11.744 ( -1.333 -1.051 0.654) 1.819 11.841 ( -3.921 0.863 -0.042) 4.015 12.727 ( 15.266 -7.566 0.072) 17.038 13.108 ( 2.193 -0.654 -0.262) 2.303 13.344 ( 0.681 5.567 0.440) 5.625 13.449 ( 1.384 -4.871 0.439) 5.083 13.566 ( -1.306 1.242 -0.358) 1.838 13.799 ( -8.544 -7.304 -0.215) 11.243 13.834 ( -3.237 -1.983 -1.038) 3.936 14.014 ( 10.062 9.570 -1.265) 13.944 14.072 ( -2.411 2.398 1.818) 3.856 14.361 ( 1.668 0.515 0.459) 1.805 14.557 ( 2.444 1.915 -0.060) 3.105 15.134 ( -5.841 7.416 -0.522) 9.455 15.505 ( -2.039 8.150 -0.653) 8.426 15.651 ( -2.741 0.059 0.656) 2.819 15.725 ( -0.434 -1.069 1.520) 1.908 15.784 ( 0.367 -2.740 -0.243) 2.775 16.622 ( -2.355 2.276 -0.611) 3.331 16.717 ( 0.861 -0.653 -0.670) 1.271 16.745 ( -1.751 0.345 1.083) 2.087 16.956 ( -0.506 -3.949 -2.767) 4.848 19.270 ( 4.884 -2.288 1.558) 5.614 19.443 ( 2.988 -2.245 -2.555) 4.527 20.104 ( -1.616 -2.152 2.323) 3.555 20.502 ( 1.103 4.702 -1.939) 5.204 21.222 ( -2.498 -1.216 7.548) 8.043 21.637 ( 1.643 -0.570 -3.619) 4.015 23.178 ( 0.933 4.109 5.357) 6.815 23.591 ( -1.126 -2.629 -2.490) 3.792 26.696 ( 0.597 -1.060 -0.162) 1.227 26.814 ( -0.583 0.871 -0.017) 1.048 29.010 ( 0.385 -0.306 0.428) 0.651 29.639 ( -6.011 7.166 -0.401) 9.362 30.071 ( -16.765 1.153 7.288) 18.317 30.506 ( 9.360 2.372 0.134) 9.656 30.810 ( 1.539 2.769 -0.171) 3.173 30.981 ( 2.322 0.070 -0.054) 2.324 31.091 ( 12.617 10.130 -3.620) 16.581 31.512 ( -2.170 -13.618 10.181) 17.141 32.275 ( -0.335 0.186 2.287) 2.319 32.322 ( -1.170 0.427 0.676) 1.417 32.606 ( -0.381 1.043 -1.260) 1.680 33.043 ( -0.628 -5.709 -12.654) 13.896 33.606 ( -2.551 2.591 5.532) 6.620 34.070 ( 4.239 -2.875 -2.669) 5.776 35.554 ( -1.910 -0.955 -4.927) 5.370 35.887 ( 2.142 0.907 0.916) 2.500 36.036 ( -4.324 -5.769 -18.876) 20.206 36.229 ( -2.534 1.144 8.338) 8.789 36.543 ( 1.146 5.084 -4.239) 6.718 36.811 ( 1.349 -0.392 -3.092) 3.396 37.380 ( -7.274 7.117 21.485) 23.773 38.736 ( 8.686 -7.755 -5.829) 13.022 ======================= Grid point 75 (28/93) ======================= q-point: (-0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.872 ( -6.100 4.866 -7.828) 11.053 1.035 ( -19.924 11.379 -1.170) 22.974 1.150 ( 0.199 9.388 -8.961) 12.980 1.264 ( -19.046 18.023 7.926) 27.393 1.620 ( -33.887 15.283 6.778) 37.787 2.417 ( 10.910 -11.780 -13.700) 21.107 2.642 ( -3.966 1.806 -1.002) 4.472 2.770 ( 1.314 -6.203 6.176) 8.851 2.903 ( -8.958 5.843 5.655) 12.098 2.966 ( -8.408 2.002 -9.329) 12.718 3.213 ( 2.133 7.086 1.502) 7.551 3.463 ( -3.022 -3.288 -3.059) 5.413 3.496 ( -6.234 -2.993 2.082) 7.222 3.583 ( -9.061 1.299 2.131) 9.399 3.748 ( 0.211 -1.325 11.753) 11.829 3.814 ( 2.976 -1.744 1.641) 3.819 3.893 ( 6.721 0.790 3.970) 7.846 4.128 ( 10.276 2.865 -5.388) 11.952 4.206 ( 3.932 -5.768 0.439) 6.995 4.495 ( -0.910 2.697 1.787) 3.361 4.613 ( 3.594 -0.606 4.979) 6.171 4.737 ( 9.636 -1.822 4.068) 10.617 4.816 ( -0.762 -6.443 -1.008) 6.566 4.842 ( -0.973 -1.647 5.004) 5.357 4.925 ( 0.872 4.391 1.732) 4.800 5.141 ( 4.277 -2.451 4.130) 6.430 5.236 ( 1.777 2.103 -12.458) 12.759 5.303 ( 0.531 2.329 -7.558) 7.926 5.415 ( -2.130 -4.296 -6.387) 7.986 5.574 ( 9.915 -1.219 -2.856) 10.389 5.720 ( 10.288 -2.867 6.298) 12.399 5.780 ( -2.339 3.922 1.069) 4.690 6.312 ( 8.226 -0.210 -0.124) 8.229 6.413 ( 7.014 -1.730 0.737) 7.262 6.742 ( 1.911 -6.403 -1.679) 6.889 7.015 ( 8.392 2.587 3.430) 9.428 7.079 ( -0.750 -1.561 2.672) 3.184 7.208 ( -2.652 5.059 -6.314) 8.514 7.631 ( -1.736 -8.270 1.249) 8.542 7.776 ( -4.510 -2.883 -1.439) 5.542 8.811 ( 3.194 -3.260 -2.015) 4.988 9.037 ( -3.069 1.591 0.186) 3.462 9.156 ( -1.181 -1.976 2.158) 3.155 9.306 ( -3.935 -0.400 -4.864) 6.269 9.460 ( -10.633 0.198 -0.077) 10.635 9.514 ( -9.002 -0.003 0.344) 9.009 9.783 ( 3.210 0.933 -3.076) 4.543 9.881 ( 0.367 -3.658 2.753) 4.592 10.060 ( 1.103 -2.278 1.383) 2.884 10.191 ( 5.777 0.766 -0.927) 5.901 10.354 ( 2.676 1.483 1.737) 3.518 10.602 ( 5.391 7.236 -1.344) 9.123 11.333 ( -8.553 -1.773 1.266) 8.826 11.369 ( -4.940 -1.723 0.132) 5.233 11.712 ( -4.540 -1.453 0.146) 4.769 11.753 ( -4.962 1.199 0.047) 5.105 13.071 ( 14.907 -7.804 -0.296) 16.828 13.166 ( 3.932 -1.524 -0.342) 4.231 13.307 ( 0.455 3.690 0.896) 3.824 13.462 ( -1.456 4.121 0.194) 4.375 13.605 ( 4.703 -6.157 -0.435) 7.760 13.721 ( -13.033 -12.766 0.016) 18.244 13.823 ( 1.276 0.930 0.381) 1.625 14.007 ( -2.113 1.310 -0.304) 2.505 14.084 ( 11.081 11.230 -0.414) 15.782 14.352 ( -5.296 1.295 0.548) 5.479 14.505 ( -2.748 5.437 -0.909) 6.159 14.971 ( 1.468 15.343 -0.655) 15.427 15.392 ( -1.554 5.321 -0.173) 5.546 15.618 ( -0.208 2.382 -0.050) 2.392 15.730 ( -1.077 -0.069 1.814) 2.110 15.782 ( -3.395 -2.223 -0.747) 4.126 16.578 ( -0.495 0.914 -0.181) 1.055 16.700 ( -2.897 0.428 -0.225) 2.937 16.711 ( -1.225 0.599 -1.249) 1.849 16.961 ( -3.784 -6.694 -4.688) 9.006 19.401 ( 5.823 -3.977 1.341) 7.178 19.515 ( 4.718 -2.569 -3.001) 6.153 20.111 ( -2.565 -3.132 2.227) 4.620 20.442 ( 1.591 8.033 -3.577) 8.936 21.258 ( -2.192 -3.294 10.488) 11.209 21.652 ( 1.967 -0.997 -3.681) 4.291 23.180 ( 0.768 4.782 5.087) 7.024 23.583 ( -0.832 -2.349 -2.735) 3.700 26.721 ( 0.898 -1.402 -0.177) 1.674 26.792 ( -0.802 1.142 0.083) 1.398 29.019 ( 1.173 1.584 -0.035) 1.972 29.451 ( -4.638 11.981 0.111) 12.847 29.795 ( -18.314 2.839 5.139) 19.232 30.627 ( 6.709 0.732 -0.292) 6.755 30.807 ( 2.059 2.882 -0.428) 3.568 31.031 ( 4.107 0.473 -0.058) 4.135 31.165 ( 12.854 10.218 -4.810) 17.110 31.665 ( -5.374 -16.260 3.684) 17.517 32.263 ( -1.971 0.645 1.261) 2.427 32.294 ( -1.546 1.818 0.715) 2.491 32.564 ( -3.425 -0.617 -2.259) 4.149 32.952 ( -3.502 -1.117 -26.231) 26.487 33.557 ( -2.563 3.444 2.787) 5.119 34.142 ( 3.146 -2.824 -3.442) 5.451 35.524 ( 0.027 -0.420 -1.848) 1.896 35.870 ( -6.591 -2.618 -17.177) 18.584 35.905 ( 1.159 1.078 -0.535) 1.671 36.231 ( -2.413 0.256 7.437) 7.823 36.459 ( -0.634 7.604 -2.466) 8.019 36.808 ( 0.740 -0.498 -4.218) 4.311 37.475 ( 1.311 -3.593 39.077) 39.264 38.947 ( 10.847 -8.171 -5.132) 14.518 ======================= Grid point 76 (29/93) ======================= q-point: (-0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.541 ( -19.105 14.941 6.395) 25.082 0.603 ( -13.718 6.783 -12.795) 19.947 0.779 ( -25.061 11.477 7.198) 28.488 0.974 ( -24.831 16.636 26.593) 40.006 1.205 ( 2.080 3.935 4.794) 6.542 2.390 ( -11.956 4.597 -12.720) 18.053 2.545 ( -1.739 -4.842 -12.530) 13.545 2.655 ( -7.682 5.251 -1.649) 9.450 2.766 ( -2.167 2.307 -6.888) 7.580 2.901 ( -5.914 -1.855 15.975) 17.135 3.173 ( 3.730 8.648 -1.335) 9.513 3.486 ( -0.928 -7.810 2.137) 8.150 3.488 ( -1.380 -4.402 1.188) 4.764 3.498 ( -6.194 -3.767 5.324) 8.994 3.735 ( 1.332 9.834 -4.365) 10.841 3.867 ( 1.716 -1.069 4.851) 5.256 4.081 ( 8.525 -1.330 4.935) 9.940 4.143 ( -0.472 2.149 -3.831) 4.418 4.385 ( 6.499 -4.829 -0.402) 8.106 4.463 ( 0.226 1.677 -0.777) 1.862 4.648 ( -7.409 -1.366 3.153) 8.167 4.794 ( -2.078 -3.221 0.676) 3.892 4.876 ( 0.713 4.301 3.007) 5.296 4.882 ( 2.215 0.741 -0.113) 2.338 4.985 ( -1.091 2.469 -2.977) 4.018 5.118 ( 7.110 -4.498 3.667) 9.178 5.261 ( 5.323 4.519 -7.482) 10.234 5.344 ( 4.416 -3.791 -1.216) 5.945 5.397 ( -1.308 -6.267 -2.761) 6.972 5.742 ( 6.588 -2.731 -3.797) 8.080 5.767 ( 6.089 -8.403 9.903) 14.345 5.959 ( 12.287 1.679 4.826) 13.307 6.463 ( 10.160 -1.525 0.107) 10.274 6.527 ( 2.816 -0.829 1.321) 3.219 6.839 ( 1.378 -7.707 1.284) 7.934 6.983 ( -4.444 2.783 1.400) 5.427 7.149 ( 4.020 4.605 0.733) 6.156 7.240 ( 14.268 1.494 -1.178) 14.394 7.590 ( -10.229 -3.097 1.718) 10.825 7.750 ( -1.863 -2.663 -2.864) 4.331 8.907 ( 4.548 -3.997 -1.643) 6.274 8.999 ( -1.316 -0.136 -0.438) 1.393 9.058 ( -11.634 -3.213 2.329) 12.292 9.228 ( -4.641 3.452 1.000) 5.870 9.268 ( -8.266 0.061 -0.567) 8.286 9.424 ( -1.097 2.871 -0.853) 3.190 9.843 ( 6.715 -0.961 -3.721) 7.737 9.973 ( -0.866 -8.179 1.318) 8.330 10.083 ( 1.382 0.418 -1.205) 1.881 10.248 ( -2.165 -1.601 3.113) 4.116 10.380 ( 4.323 1.669 1.408) 4.843 10.660 ( 8.420 4.564 -1.188) 9.651 11.219 ( -8.637 -2.123 0.866) 8.936 11.301 ( -4.206 1.195 -0.943) 4.473 11.655 ( -3.684 -1.287 -0.826) 3.989 11.668 ( -3.821 0.407 -0.987) 3.967 13.224 ( 4.390 -0.139 -0.479) 4.419 13.294 ( 2.511 2.160 -0.437) 3.341 13.317 ( 3.928 -4.218 -0.041) 5.764 13.399 ( -0.846 2.392 -0.434) 2.574 13.630 ( -11.797 -9.649 -0.449) 15.247 13.749 ( 3.754 -3.345 -0.159) 5.031 13.859 ( 0.586 -1.826 1.416) 2.384 14.009 ( 4.387 -2.911 -0.385) 5.279 14.131 ( -15.082 -7.783 -3.009) 17.236 14.148 ( 5.516 11.338 -0.349) 12.614 14.426 ( -3.749 4.163 0.382) 5.615 14.786 ( 4.707 33.902 -10.292) 35.741 15.379 ( 2.127 -0.789 0.258) 2.283 15.558 ( -2.104 5.839 -8.100) 10.204 15.699 ( -5.030 -1.627 -0.116) 5.288 15.725 ( -3.661 1.593 -0.044) 3.993 16.586 ( 1.070 -0.877 -0.199) 1.398 16.635 ( -3.595 0.761 -0.112) 3.676 16.661 ( -2.758 0.545 -5.945) 6.577 16.850 ( -12.967 -3.832 -7.674) 15.547 19.529 ( 3.445 -3.173 1.628) 4.959 19.598 ( 4.976 -2.140 -2.754) 6.076 20.114 ( -4.274 -5.612 1.526) 7.217 20.327 ( 0.245 12.204 -7.918) 14.549 21.379 ( 1.375 -8.878 11.347) 14.473 21.670 ( 2.232 0.049 -3.700) 4.321 23.166 ( -0.347 4.165 4.090) 5.847 23.579 ( 0.021 -1.525 -3.197) 3.542 26.746 ( 0.781 -0.839 -0.122) 1.153 26.771 ( -0.642 0.662 0.107) 0.928 29.009 ( 4.256 9.031 -0.788) 10.014 29.257 ( -2.893 14.100 -0.778) 14.414 29.552 ( -11.284 0.876 2.320) 11.553 30.692 ( 2.714 0.893 0.537) 2.907 30.808 ( 0.613 2.650 -4.618) 5.359 31.043 ( -23.445 5.258 -42.794) 49.078 31.117 ( -2.239 6.491 -12.280) 14.069 31.425 ( -25.288 -4.834 -22.064) 33.907 32.229 ( -2.823 3.007 -1.217) 4.300 32.231 ( -1.809 0.438 0.250) 1.877 32.458 ( -5.780 -0.711 -3.192) 6.642 32.614 ( -1.514 11.379 -10.597) 15.623 33.524 ( -1.549 0.948 6.149) 6.411 34.178 ( 1.825 -1.545 -5.079) 5.614 35.545 ( 1.445 -0.053 1.970) 2.444 35.798 ( 5.714 -0.714 6.650) 8.797 35.899 ( 0.565 1.192 -1.706) 2.157 36.242 ( -2.202 -1.157 6.655) 7.105 36.353 ( -2.177 6.526 -0.513) 6.899 36.798 ( 0.903 -0.438 -4.751) 4.856 38.170 ( 32.647 -28.654 59.576) 73.730 39.152 ( 8.494 -5.345 -3.380) 10.590 ======================= Grid point 78 (30/93) ======================= q-point: ( 0.12 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.826 ( 9.428 0.000 -8.810) 12.904 1.068 ( 8.139 0.000 -2.933) 8.652 1.530 ( 10.204 0.000 19.256) 21.793 1.552 ( 14.342 0.000 23.430) 27.471 1.891 ( 7.216 0.000 2.783) 7.734 2.150 ( 22.663 0.000 -16.468) 28.014 2.272 ( 18.114 0.000 -1.069) 18.146 2.584 ( -6.331 -0.000 -23.398) 24.239 2.994 ( 8.554 0.000 4.004) 9.445 3.203 ( 3.041 0.000 7.576) 8.163 3.223 ( -1.058 -0.000 0.121) 1.065 3.369 ( 0.696 0.000 3.493) 3.562 3.479 ( 6.573 0.000 -2.768) 7.132 3.507 ( 2.360 0.000 9.754) 10.036 3.763 ( -2.546 -0.000 -10.685) 10.985 3.834 ( -8.523 -0.000 12.896) 15.458 3.879 ( -2.178 -0.000 -1.660) 2.738 4.202 ( -4.697 -0.000 5.435) 7.183 4.341 ( 4.972 0.000 -9.150) 10.414 4.387 ( -10.772 -0.000 6.851) 12.766 4.488 ( 6.764 0.000 0.326) 6.771 4.621 ( -16.530 -0.000 4.277) 17.075 4.746 ( -1.869 -0.000 -2.447) 3.080 4.830 ( 0.494 0.000 2.131) 2.187 5.044 ( -8.788 -0.000 1.145) 8.863 5.131 ( -5.525 -0.000 1.706) 5.782 5.191 ( -4.947 -0.000 -9.976) 11.135 5.311 ( 7.101 0.000 -1.686) 7.298 5.507 ( -9.680 -0.000 -2.980) 10.128 5.512 ( 3.478 0.000 -2.117) 4.072 5.756 ( -12.961 -0.000 -0.431) 12.968 5.932 ( -9.105 -0.000 0.899) 9.149 6.413 ( 0.209 0.000 -0.858) 0.883 6.504 ( -15.526 -0.000 2.038) 15.659 6.720 ( -9.568 -0.000 3.417) 10.160 6.859 ( -8.372 -0.000 -3.525) 9.084 7.078 ( 2.667 0.000 -3.470) 4.376 7.409 ( 4.348 0.000 4.155) 6.014 7.698 ( 3.595 0.000 0.435) 3.622 7.789 ( 1.693 0.000 -1.858) 2.514 8.927 ( -3.254 -0.000 1.754) 3.697 8.932 ( 0.507 0.000 -3.647) 3.682 9.218 ( -0.677 -0.000 1.133) 1.320 9.362 ( -0.293 -0.000 -4.586) 4.595 9.456 ( 16.002 0.000 2.643) 16.219 9.497 ( 12.811 0.000 0.033) 12.811 9.734 ( 0.540 0.000 -3.589) 3.630 9.932 ( -5.770 -0.000 3.417) 6.706 10.117 ( 1.134 0.000 -2.010) 2.308 10.169 ( -2.542 -0.000 4.793) 5.425 10.363 ( -3.478 -0.000 1.053) 3.634 10.470 ( -8.775 -0.000 -3.990) 9.639 11.357 ( 6.759 0.000 0.730) 6.798 11.393 ( 4.372 0.000 0.874) 4.459 11.681 ( 6.747 0.000 -1.133) 6.841 11.724 ( 4.339 0.000 0.771) 4.407 13.149 ( -7.189 -0.000 -1.469) 7.338 13.171 ( -7.418 -0.000 0.298) 7.424 13.293 ( -0.850 -0.000 -0.668) 1.081 13.328 ( -1.984 -0.000 1.025) 2.234 13.693 ( -7.436 -0.000 -0.621) 7.461 13.806 ( -2.956 -0.000 1.813) 3.467 13.927 ( -5.910 -0.000 -0.995) 5.993 13.943 ( -0.395 -0.000 0.785) 0.879 14.161 ( 23.803 0.000 -8.042) 25.125 14.203 ( 18.627 0.000 3.374) 18.930 14.504 ( 2.221 0.000 2.155) 3.095 14.518 ( 1.373 0.000 -1.510) 2.041 15.374 ( 2.928 0.000 2.185) 3.653 15.399 ( 6.405 0.000 -2.506) 6.878 15.743 ( 1.974 0.000 0.764) 2.117 15.829 ( 4.952 0.000 -0.703) 5.002 16.529 ( 2.731 0.000 -0.071) 2.731 16.659 ( 0.315 0.000 -2.593) 2.612 16.774 ( 1.497 0.000 2.652) 3.045 16.887 ( 6.838 0.000 -7.153) 9.896 19.371 ( -7.841 -0.000 -0.108) 7.842 19.575 ( -5.135 -0.000 -1.221) 5.278 20.029 ( 2.365 0.000 -0.156) 2.370 20.326 ( 5.005 0.000 -0.043) 5.005 21.243 ( -4.520 -0.000 7.931) 9.128 21.673 ( 0.827 0.000 -2.309) 2.452 23.194 ( -1.766 -0.000 7.276) 7.487 23.522 ( 0.308 0.000 -5.798) 5.806 26.749 ( -0.141 -0.000 -0.559) 0.576 26.765 ( 0.007 0.000 0.458) 0.458 29.149 ( 9.665 0.000 4.866) 10.820 29.156 ( 4.269 0.000 -3.567) 5.563 29.780 ( 15.788 0.000 7.287) 17.389 30.375 ( 27.796 0.000 -22.114) 35.520 30.734 ( -2.489 -0.000 -2.815) 3.758 30.738 ( -0.248 -0.000 2.943) 2.954 31.089 ( -3.881 -0.000 3.652) 5.329 31.147 ( -3.371 -0.000 -4.097) 5.306 32.242 ( -0.102 -0.000 -0.578) 0.587 32.255 ( 3.175 0.000 0.265) 3.186 32.604 ( 2.939 0.000 -1.019) 3.110 32.822 ( 10.779 0.000 -10.834) 15.282 33.587 ( -2.382 -0.000 9.312) 9.612 34.074 ( -0.779 -0.000 -7.637) 7.677 35.703 ( 3.450 0.000 4.423) 5.609 35.777 ( -2.696 -0.000 -5.345) 5.986 36.116 ( -0.915 -0.000 -7.614) 7.668 36.257 ( -2.487 -0.000 7.463) 7.866 36.481 ( 8.652 0.000 -4.373) 9.695 36.764 ( 1.514 0.000 -6.026) 6.213 38.219 ( -32.577 -0.000 31.237) 45.133 39.040 ( -12.096 -0.000 -5.594) 13.327 ======================= Grid point 79 (31/93) ======================= q-point: ( 0.25 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( 8.577 -1.896 -6.366) 10.848 1.101 ( 0.986 3.047 -2.282) 3.932 1.733 ( 10.377 7.255 10.686) 16.569 1.869 ( 2.341 3.347 -7.990) 8.974 2.037 ( 12.659 -14.385 13.503) 23.442 2.258 ( -7.556 -7.546 -15.792) 19.063 2.468 ( 15.041 -2.235 -11.031) 18.786 2.588 ( 12.210 2.679 7.817) 14.743 3.037 ( -12.359 9.193 6.260) 16.627 3.202 ( 11.447 -0.493 -1.696) 11.582 3.278 ( 1.543 -5.291 2.291) 5.969 3.446 ( 1.376 10.992 -6.316) 12.752 3.517 ( 6.413 1.155 4.193) 7.748 3.580 ( -2.837 -1.388 2.063) 3.773 3.747 ( -9.329 -6.604 9.068) 14.590 3.805 ( -1.127 -9.547 2.047) 9.829 3.852 ( 4.447 0.259 -4.462) 6.305 4.165 ( 0.030 3.800 1.369) 4.040 4.218 ( -10.541 4.538 2.471) 11.740 4.326 ( -3.061 -2.826 -2.704) 4.967 4.365 ( -14.169 -0.100 7.187) 15.888 4.656 ( 9.992 -0.891 3.557) 10.644 4.751 ( 3.258 0.004 -4.097) 5.235 4.873 ( -0.989 -0.326 1.875) 2.144 4.899 ( -5.723 -0.275 5.877) 8.207 5.031 ( -7.034 0.779 -0.813) 7.124 5.077 ( -2.599 -1.002 -6.470) 7.044 5.289 ( -12.108 1.296 -5.917) 13.539 5.428 ( 6.953 0.381 -2.614) 7.438 5.536 ( 1.633 -0.567 -4.747) 5.052 5.651 ( -0.392 -3.919 0.831) 4.026 5.786 ( -7.391 2.808 0.598) 7.929 6.334 ( -7.695 1.319 5.611) 9.615 6.399 ( -0.663 2.046 -0.111) 2.154 6.586 ( -6.887 0.615 -1.697) 7.120 6.766 ( -1.451 -1.510 -2.164) 3.011 7.113 ( 4.412 2.526 -0.866) 5.158 7.489 ( 2.935 -0.156 0.387) 2.965 7.670 ( -3.604 6.025 0.375) 7.031 7.798 ( -0.715 -2.499 -0.207) 2.608 8.874 ( -0.317 3.771 0.293) 3.795 8.948 ( 0.865 -1.463 -2.311) 2.869 9.179 ( -1.938 1.745 0.984) 2.787 9.317 ( -2.350 -3.339 -5.146) 6.569 9.669 ( 8.353 1.786 -0.660) 8.567 9.682 ( 7.740 0.929 1.385) 7.918 9.759 ( 5.800 0.795 -2.673) 6.435 9.866 ( -5.518 -2.358 3.779) 7.091 10.072 ( -5.382 0.317 1.787) 5.680 10.155 ( -4.541 -2.053 2.146) 5.426 10.269 ( -2.658 6.843 -1.378) 7.469 10.454 ( 4.241 -8.444 -2.853) 9.870 11.444 ( 3.694 0.806 1.172) 3.958 11.459 ( 3.779 -0.235 1.209) 3.975 11.760 ( 3.819 2.403 -0.205) 4.517 11.812 ( 4.939 -1.215 0.450) 5.106 12.903 ( -14.590 9.721 -0.358) 17.535 13.060 ( -7.794 -4.901 -0.492) 9.220 13.275 ( 0.175 -0.278 -0.025) 0.330 13.378 ( -2.132 -9.043 0.755) 9.322 13.573 ( -2.496 5.160 0.323) 5.741 13.773 ( -5.489 -6.960 -0.476) 8.877 13.893 ( 0.270 0.647 0.505) 0.864 13.965 ( 2.107 -2.420 -0.274) 3.220 14.261 ( 18.368 22.988 -0.798) 29.436 14.416 ( 0.479 2.377 -0.440) 2.464 14.519 ( -0.904 -0.943 0.558) 1.420 14.798 ( 12.960 -22.597 -0.136) 26.050 15.469 ( 5.942 0.178 1.715) 6.187 15.512 ( 7.215 -2.494 -1.278) 7.740 15.760 ( -0.272 0.677 1.013) 1.248 15.858 ( 0.862 2.215 -1.203) 2.664 16.590 ( 3.710 0.288 0.676) 3.782 16.663 ( 1.040 -2.018 -1.794) 2.893 16.791 ( -1.116 0.686 2.308) 2.654 16.927 ( 2.738 -0.543 -4.866) 5.610 19.257 ( -4.907 1.519 0.809) 5.200 19.476 ( -5.279 0.151 -1.933) 5.624 20.067 ( 2.823 0.973 0.051) 2.986 20.423 ( 4.875 -2.586 -0.228) 5.523 21.225 ( -3.230 0.556 6.950) 7.684 21.663 ( 0.319 0.708 -2.426) 2.548 23.208 ( -1.448 1.473 7.877) 8.144 23.502 ( 0.232 -2.862 -6.045) 6.693 26.729 ( -0.223 1.987 -0.372) 2.033 26.782 ( 0.206 -1.984 0.250) 2.011 29.128 ( 5.851 10.776 -0.929) 12.297 29.453 ( 10.486 -12.645 2.577) 16.628 30.050 ( 7.114 -1.339 9.667) 12.077 30.484 ( -5.237 -5.528 -5.605) 9.455 30.763 ( 10.891 1.457 -5.459) 12.269 30.790 ( 3.629 -0.869 0.103) 3.733 31.067 ( 2.334 3.485 2.045) 4.666 31.147 ( 3.661 -3.042 -1.361) 4.950 32.231 ( -0.986 -0.518 -0.132) 1.121 32.305 ( 2.349 -0.183 0.414) 2.392 32.638 ( 2.321 0.627 -0.959) 2.589 32.909 ( 7.170 -2.300 -11.556) 13.793 33.608 ( -2.092 0.037 9.015) 9.254 34.014 ( -0.294 0.400 -6.862) 6.879 35.690 ( -3.620 -0.323 -5.914) 6.941 35.786 ( 3.687 0.154 3.212) 4.892 36.068 ( -0.154 -2.382 -9.813) 10.099 36.261 ( -2.853 0.646 8.967) 9.432 36.575 ( 6.661 0.617 -4.098) 7.845 36.756 ( 1.838 -0.755 -5.583) 5.926 37.936 ( -21.825 5.834 27.612) 35.676 38.773 ( -11.895 2.062 -10.064) 15.717 ======================= Grid point 80 (32/93) ======================= q-point: ( 0.38 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( 3.384 1.269 -3.622) 5.117 1.055 ( 2.238 1.125 -1.585) 2.964 1.698 ( -0.359 1.619 -4.789) 5.068 1.952 ( 10.687 0.881 -0.070) 10.723 2.223 ( -0.653 -4.801 -8.424) 9.718 2.367 ( -0.249 -5.137 0.945) 5.229 2.634 ( 10.689 -3.598 -3.387) 11.776 2.711 ( 5.790 10.408 8.439) 14.596 2.788 ( -9.723 2.580 9.885) 14.103 3.209 ( -7.242 3.830 -2.380) 8.531 3.288 ( -3.624 2.545 -7.735) 8.913 3.393 ( 1.527 -4.770 2.464) 5.582 3.516 ( -3.722 0.182 -0.917) 3.837 3.591 ( -7.543 -3.051 7.304) 10.935 3.684 ( 1.379 2.020 1.669) 2.961 3.863 ( 1.827 -1.858 1.353) 2.936 3.981 ( -1.782 1.262 -0.975) 2.392 4.049 ( -1.732 -4.597 -1.835) 5.244 4.211 ( 6.846 -5.056 -1.748) 8.688 4.276 ( -3.883 1.377 7.568) 8.617 4.334 ( 5.436 0.820 -2.949) 6.239 4.704 ( -4.053 2.284 1.195) 4.803 4.789 ( -4.885 0.560 -0.471) 4.939 4.813 ( -3.734 2.060 4.148) 5.949 4.892 ( -3.306 -3.332 1.483) 4.923 5.005 ( 4.374 -3.539 3.665) 6.715 5.081 ( 2.906 -4.281 0.608) 5.210 5.153 ( 4.378 1.354 -4.374) 6.335 5.447 ( -0.905 3.872 -0.750) 4.047 5.544 ( 4.175 0.173 -6.363) 7.612 5.664 ( -4.987 1.720 -0.521) 5.301 5.779 ( 5.613 -7.774 0.374) 9.596 6.248 ( -4.748 4.201 3.763) 7.372 6.363 ( 1.171 4.217 -0.538) 4.409 6.502 ( -2.869 -3.237 -2.000) 4.765 6.796 ( 4.722 0.351 -0.732) 4.792 7.138 ( 2.343 4.194 1.727) 5.105 7.504 ( 0.543 1.129 -3.332) 3.560 7.523 ( -6.224 5.166 1.161) 8.171 7.798 ( -4.269 -4.873 -0.163) 6.481 8.841 ( 0.782 3.426 -1.450) 3.801 8.945 ( 1.398 1.254 -0.695) 2.002 9.177 ( 0.542 -2.043 -0.616) 2.202 9.301 ( -0.616 -3.114 -3.886) 5.018 9.631 ( -6.576 0.506 -0.173) 6.598 9.749 ( -2.755 0.171 2.306) 3.596 9.813 ( -0.427 0.733 -2.046) 2.215 9.842 ( -2.423 -3.352 1.529) 4.410 10.024 ( 0.477 0.837 1.109) 1.468 10.110 ( -2.070 -1.551 -0.305) 2.605 10.241 ( 7.627 7.049 2.020) 10.580 10.603 ( 5.159 -5.853 -2.566) 8.213 11.469 ( -1.029 0.498 1.425) 1.827 11.523 ( 1.146 -0.651 0.738) 1.510 11.765 ( 0.313 2.157 -0.030) 2.180 11.871 ( 0.680 -0.642 0.271) 0.974 12.616 ( -6.673 7.136 -0.187) 9.772 13.011 ( -5.944 -7.558 -0.276) 9.619 13.290 ( -0.435 -3.367 -0.191) 3.400 13.424 ( -4.371 -9.114 0.844) 10.143 13.513 ( 1.163 6.027 0.349) 6.148 13.766 ( -2.872 -5.227 -1.105) 6.066 13.889 ( 1.187 3.164 -0.506) 3.417 14.037 ( 1.890 -3.494 0.675) 4.029 14.304 ( 13.452 18.450 -0.188) 22.834 14.395 ( 3.142 5.020 0.267) 5.928 14.524 ( 1.875 0.381 0.455) 1.967 15.127 ( 5.376 -11.727 -0.229) 12.903 15.558 ( 4.186 -0.517 -0.296) 4.228 15.636 ( 4.875 -2.447 -0.177) 5.457 15.735 ( -1.806 1.849 0.910) 2.740 15.814 ( -1.029 3.734 -0.283) 3.883 16.640 ( 2.766 -0.847 -0.586) 2.951 16.700 ( 0.507 -2.194 -0.455) 2.297 16.756 ( -2.904 1.469 1.941) 3.789 16.928 ( -0.373 -0.905 -3.224) 3.369 19.205 ( -1.069 0.721 1.804) 2.218 19.398 ( -2.858 -1.201 -2.543) 4.010 20.097 ( 2.241 1.887 1.059) 3.115 20.513 ( 4.049 -1.402 -0.924) 4.383 21.212 ( -3.165 0.173 6.296) 7.049 21.643 ( 0.171 0.467 -2.950) 2.992 23.218 ( -1.290 1.683 7.518) 7.811 23.507 ( -0.452 -4.756 -5.072) 6.968 26.705 ( 0.029 1.823 -0.235) 1.838 26.806 ( 0.058 -1.711 0.078) 1.714 29.107 ( 5.056 9.821 -0.323) 11.051 29.728 ( 9.508 -5.006 1.049) 10.796 30.082 ( -9.910 -2.549 4.972) 11.376 30.461 ( -2.349 -7.450 2.606) 8.234 30.826 ( 1.132 0.595 1.378) 1.880 30.875 ( 3.850 -2.671 -3.342) 5.756 31.139 ( 12.195 6.699 -1.490) 13.993 31.277 ( 7.150 0.175 5.470) 9.004 32.229 ( -0.918 -1.827 1.251) 2.397 32.334 ( 1.015 0.510 0.608) 1.289 32.651 ( 1.178 1.549 -0.627) 2.045 32.948 ( 2.573 -4.234 -11.753) 12.755 33.629 ( -2.126 0.043 8.037) 8.314 33.985 ( 1.473 -0.625 -5.090) 5.336 35.603 ( -3.118 -0.614 -5.767) 6.584 35.854 ( 3.179 0.367 1.558) 3.560 36.022 ( -1.422 -3.743 -11.838) 12.497 36.263 ( -2.899 1.349 9.400) 9.929 36.624 ( 4.423 2.334 -3.833) 6.301 36.773 ( 2.163 -1.657 -3.963) 4.809 37.730 ( -14.448 8.765 21.393) 27.262 38.562 ( -4.999 -2.546 -10.544) 11.944 ======================= Grid point 81 (33/93) ======================= q-point: (-0.50 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( 2.231 1.202 -3.217) 4.096 1.104 ( 2.092 1.066 -1.868) 3.000 1.800 ( 7.361 -8.756 -2.160) 11.641 2.025 ( -5.556 12.685 -4.670) 14.615 2.076 ( -8.324 11.307 -1.658) 14.138 2.198 ( 1.024 2.859 0.656) 3.107 2.655 ( -8.901 5.695 -0.028) 10.567 2.711 ( 2.900 2.901 -1.148) 4.259 2.946 ( 8.116 -1.579 9.941) 12.930 3.066 ( -1.362 0.617 -0.925) 1.758 3.227 ( -4.848 -12.981 -1.883) 13.984 3.417 ( -7.276 0.315 -1.545) 7.445 3.455 ( -0.051 -3.457 1.654) 3.832 3.570 ( 0.020 -4.488 -2.331) 5.057 3.613 ( -9.871 1.189 5.335) 11.284 3.893 ( 1.456 1.625 -0.299) 2.202 3.946 ( 7.078 8.333 0.603) 10.950 4.085 ( -5.373 -1.910 3.470) 6.675 4.279 ( -0.080 -2.155 3.459) 4.076 4.343 ( 5.863 -1.868 -7.477) 9.684 4.460 ( 9.082 -4.567 -3.999) 10.924 4.595 ( -3.501 0.861 -0.712) 3.675 4.675 ( -3.561 0.332 5.448) 6.517 4.833 ( -2.458 -0.575 6.585) 7.052 4.896 ( 0.311 -3.580 3.497) 5.014 5.102 ( -0.864 -1.867 2.146) 2.973 5.203 ( 7.851 0.748 -2.652) 8.321 5.310 ( 7.268 -3.758 4.481) 9.329 5.389 ( 2.962 0.041 -1.411) 3.282 5.536 ( -1.593 1.477 -6.073) 6.450 5.583 ( 1.026 4.467 -2.466) 5.205 5.919 ( 2.270 -2.286 1.175) 3.429 6.152 ( -2.187 1.192 0.236) 2.502 6.374 ( 6.319 3.811 -1.406) 7.512 6.531 ( 0.810 -6.278 -1.623) 6.534 6.890 ( 8.816 2.093 0.806) 9.096 7.130 ( 0.683 4.715 3.379) 5.840 7.426 ( -3.486 -0.436 -0.145) 3.516 7.443 ( -2.408 1.963 -3.830) 4.932 7.752 ( -7.258 -5.404 -1.136) 9.120 8.800 ( 0.091 2.870 -2.861) 4.054 9.015 ( 6.113 -1.627 2.651) 6.859 9.165 ( -4.574 -0.401 -1.022) 4.704 9.300 ( 1.400 -1.900 -6.395) 6.817 9.526 ( -7.620 -3.407 -0.387) 8.356 9.616 ( -14.590 -3.716 3.200) 15.392 9.775 ( -0.533 -0.517 0.082) 0.748 9.843 ( -5.232 -2.540 0.772) 5.867 10.054 ( 4.304 4.904 1.940) 6.808 10.135 ( 4.992 0.304 -1.452) 5.208 10.350 ( 10.451 5.309 1.956) 11.884 10.681 ( 2.157 -1.577 -2.362) 3.567 11.411 ( -6.831 -0.297 1.223) 6.946 11.469 ( -7.391 1.274 0.389) 7.510 11.733 ( -2.646 -0.160 -0.597) 2.717 11.853 ( -3.379 0.365 0.574) 3.447 12.626 ( 10.853 -2.043 -0.115) 11.044 13.020 ( -2.577 -8.103 -0.106) 8.504 13.333 ( 0.102 -5.363 -0.199) 5.368 13.440 ( -3.194 -6.150 0.773) 6.973 13.475 ( 1.060 5.974 0.446) 6.084 13.754 ( -1.981 -0.531 -0.737) 2.180 13.862 ( 0.655 3.306 -1.354) 3.632 14.075 ( -0.871 -0.510 1.171) 1.546 14.327 ( 10.154 13.856 -0.442) 17.184 14.409 ( 3.846 4.314 0.790) 5.833 14.597 ( 8.486 3.661 0.313) 9.247 15.196 ( -3.430 -0.834 -0.515) 3.567 15.604 ( 0.543 -0.643 -0.566) 1.014 15.659 ( -2.508 2.180 0.046) 3.323 15.721 ( 2.416 0.561 -0.321) 2.501 15.780 ( 0.778 2.893 1.545) 3.371 16.668 ( -2.661 1.738 -1.362) 3.458 16.694 ( 2.168 -1.568 -0.503) 2.723 16.736 ( -1.710 -0.885 2.026) 2.795 16.897 ( -2.604 -1.780 -2.827) 4.235 19.226 ( 1.561 -1.695 1.682) 2.853 19.386 ( 0.624 -3.152 -2.733) 4.218 20.113 ( 1.327 2.423 1.917) 3.363 20.564 ( 3.476 1.595 -1.910) 4.275 21.200 ( -3.536 -0.856 6.314) 7.288 21.627 ( 0.511 -0.379 -3.591) 3.647 23.226 ( -1.843 0.928 7.341) 7.626 23.513 ( -1.305 -4.853 -4.335) 6.637 26.695 ( 0.656 0.953 -0.130) 1.164 26.816 ( -0.422 -0.744 -0.044) 0.856 29.093 ( 4.747 8.033 0.120) 9.332 29.792 ( 0.032 8.323 -1.081) 8.393 29.970 ( -13.794 -9.392 4.748) 17.350 30.561 ( 5.573 -1.482 3.583) 6.790 30.838 ( 0.868 0.848 0.434) 1.289 30.934 ( 1.452 -4.883 -1.229) 5.240 31.275 ( 13.839 6.613 -1.338) 15.396 31.386 ( 3.915 3.423 5.685) 7.705 32.254 ( -0.655 -2.466 2.711) 3.722 32.333 ( -0.534 1.020 0.365) 1.208 32.633 ( -0.961 1.932 -1.041) 2.396 32.940 ( 0.056 -4.815 -10.787) 11.813 33.631 ( -3.015 0.282 6.055) 6.770 34.013 ( 3.041 -2.525 -3.445) 5.243 35.539 ( -1.562 -0.525 -4.055) 4.377 35.898 ( 2.078 0.170 -0.608) 2.172 35.944 ( -3.272 -3.305 -12.169) 13.027 36.257 ( -3.161 1.462 8.813) 9.476 36.629 ( 3.013 3.621 -3.661) 5.966 36.795 ( 1.099 -1.275 -3.067) 3.498 37.559 ( -9.696 9.924 17.656) 22.455 38.556 ( 3.254 -9.462 -7.766) 12.666 ======================= Grid point 82 (34/93) ======================= q-point: (-0.38 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( -2.193 5.487 -4.953) 7.711 1.083 ( -1.560 0.272 -0.157) 1.591 1.584 ( -10.643 24.028 -11.982) 28.883 1.632 ( -17.645 16.614 7.054) 25.241 2.042 ( -8.349 17.968 6.812) 20.951 2.189 ( 6.536 -3.015 -8.898) 11.444 2.570 ( 3.589 -8.985 11.373) 14.932 2.730 ( 2.042 4.035 -3.157) 5.515 2.992 ( -4.426 -0.151 -14.098) 14.777 3.022 ( -1.194 4.332 5.572) 7.158 3.273 ( -4.644 0.007 2.106) 5.099 3.347 ( -3.886 -8.518 2.495) 9.689 3.471 ( -8.278 1.510 5.408) 10.002 3.542 ( -0.702 -13.065 1.997) 13.236 3.694 ( 6.213 -4.381 -0.430) 7.615 3.843 ( 1.374 12.323 -2.057) 12.569 3.935 ( 2.331 4.746 0.006) 5.288 4.070 ( -1.628 -5.302 7.823) 9.590 4.276 ( 6.199 7.995 -8.362) 13.125 4.432 ( 0.463 -9.172 3.545) 9.844 4.591 ( 0.122 -8.768 -1.049) 8.832 4.646 ( 6.415 -3.407 1.989) 7.531 4.688 ( -2.695 -0.906 4.968) 5.724 4.847 ( 0.171 0.761 8.219) 8.256 5.011 ( 5.740 -3.653 4.526) 8.172 5.045 ( -5.705 0.802 -1.189) 5.882 5.250 ( 2.872 0.708 -4.247) 5.176 5.372 ( 0.862 3.783 -7.978) 8.871 5.407 ( -3.296 -0.119 -4.398) 5.498 5.560 ( 6.965 -0.445 -2.556) 7.432 5.627 ( 8.775 -3.774 4.700) 10.646 5.880 ( -2.627 5.233 1.273) 5.992 6.229 ( 6.090 -5.649 0.414) 8.316 6.459 ( 9.638 3.680 -2.005) 10.510 6.602 ( 0.599 -7.359 -2.412) 7.767 7.048 ( 11.848 1.498 1.739) 12.069 7.112 ( -0.378 4.776 4.567) 6.619 7.312 ( -2.379 4.551 -6.055) 7.940 7.462 ( -0.804 -7.234 1.437) 7.419 7.680 ( -6.774 -5.887 -2.414) 9.294 8.773 ( 1.139 0.000 -2.597) 2.836 9.042 ( -8.858 -1.544 -0.846) 9.032 9.128 ( -0.991 0.309 5.214) 5.316 9.299 ( 2.014 -1.619 -6.907) 7.375 9.451 ( -6.252 -0.688 -0.327) 6.298 9.475 ( -5.602 -3.555 0.084) 6.635 9.734 ( -11.610 -5.270 1.012) 12.790 9.813 ( 1.471 -3.304 0.396) 3.638 10.079 ( 3.337 4.818 2.682) 6.445 10.216 ( 6.547 2.005 -1.150) 6.944 10.440 ( 4.572 5.365 2.439) 7.459 10.709 ( 5.412 2.462 -2.563) 6.475 11.300 ( -8.696 -1.583 1.210) 8.921 11.329 ( -8.243 -1.100 0.078) 8.316 11.677 ( -5.118 -1.896 -1.018) 5.552 11.774 ( -5.486 0.712 0.150) 5.534 12.908 ( 15.215 -7.343 -0.396) 16.899 13.093 ( 2.665 -6.230 0.015) 6.776 13.357 ( -3.786 -3.863 1.000) 5.501 13.429 ( -1.058 3.196 0.064) 3.367 13.502 ( 5.338 -3.261 0.161) 6.258 13.705 ( -0.899 4.238 -0.368) 4.348 13.841 ( 0.637 1.589 -0.376) 1.753 14.042 ( -2.285 1.483 -0.078) 2.725 14.322 ( 3.968 10.560 -0.625) 11.298 14.434 ( 2.514 4.700 1.837) 5.638 14.651 ( 4.759 9.209 -0.851) 10.401 15.121 ( -0.678 2.623 0.070) 2.710 15.526 ( -4.366 5.993 0.154) 7.417 15.649 ( -0.206 -1.576 -0.169) 1.599 15.735 ( 1.233 1.882 -1.689) 2.814 15.785 ( 2.295 3.317 2.070) 4.533 16.603 ( -1.781 1.360 -1.911) 2.945 16.713 ( -1.886 0.868 1.040) 2.322 16.719 ( -0.972 -0.345 -0.380) 1.099 16.852 ( -4.317 -3.601 -2.834) 6.295 19.307 ( 3.277 -4.738 0.808) 5.817 19.438 ( 2.642 -4.673 -2.674) 5.997 20.114 ( 0.289 2.671 2.527) 3.688 20.569 ( 3.443 4.714 -3.996) 7.074 21.199 ( -3.694 -2.390 7.290) 8.514 21.626 ( 1.440 -1.339 -4.162) 4.603 23.227 ( -3.501 -0.080 7.274) 8.073 23.513 ( -0.989 -4.402 -4.111) 6.104 26.706 ( 1.345 0.053 -0.038) 1.347 26.807 ( -0.924 0.202 -0.073) 0.949 29.104 ( 5.831 6.531 0.117) 8.756 29.658 ( -2.839 8.333 -0.925) 8.852 29.823 ( -16.029 -1.105 5.161) 16.876 30.674 ( 6.684 2.752 1.213) 7.329 30.842 ( 0.653 1.059 -0.046) 1.245 31.013 ( 3.547 -3.737 -1.532) 5.375 31.413 ( 14.662 12.574 -5.663) 20.129 31.417 ( -2.176 -5.122 3.819) 6.749 32.272 ( -1.639 -0.387 2.442) 2.966 32.309 ( -1.209 0.373 0.223) 1.284 32.554 ( -5.626 0.164 -3.855) 6.822 32.924 ( 1.574 -2.049 -11.469) 11.757 33.599 ( -3.967 0.725 3.127) 5.103 34.074 ( 2.826 -3.621 -3.308) 5.660 35.517 ( 0.439 -0.185 -0.853) 0.977 35.825 ( -4.623 -1.684 -8.746) 10.034 35.926 ( 1.771 0.882 -1.458) 2.458 36.244 ( -3.272 0.940 7.752) 8.467 36.601 ( 2.055 5.742 -3.815) 7.193 36.793 ( 0.204 -1.005 -4.120) 4.246 37.479 ( -5.790 4.442 24.385) 25.453 38.724 ( 7.609 -13.192 -6.121) 16.414 ======================= Grid point 83 (35/93) ======================= q-point: (-0.25 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.797 ( -4.910 11.554 -2.275) 12.758 0.941 ( -10.488 15.269 1.922) 18.624 1.144 ( -10.867 21.663 2.340) 24.349 1.245 ( -11.322 14.452 -2.512) 18.530 1.623 ( -7.221 32.677 25.376) 41.999 2.358 ( 7.670 -8.982 -16.489) 20.283 2.585 ( -8.046 10.467 -13.178) 18.654 2.758 ( -4.650 -7.395 4.996) 10.063 2.811 ( 1.651 8.609 -0.574) 8.785 2.954 ( -0.506 9.040 4.551) 10.134 3.259 ( -5.853 -4.548 8.142) 11.010 3.374 ( -1.120 -2.641 -0.356) 2.891 3.403 ( -3.148 -5.422 2.885) 6.902 3.537 ( -3.023 11.240 1.864) 11.788 3.739 ( 2.414 -10.105 -4.603) 11.363 3.880 ( 1.125 1.950 4.455) 4.992 3.960 ( 3.149 -2.016 -3.196) 4.919 4.184 ( 3.552 -4.924 0.441) 6.088 4.304 ( 8.398 -0.220 -2.738) 8.836 4.521 ( 0.051 -0.252 1.995) 2.012 4.600 ( -11.401 -2.535 8.112) 14.220 4.693 ( 2.422 -3.809 1.956) 4.920 4.832 ( 3.738 -9.034 6.112) 11.531 4.893 ( -7.289 -2.829 -1.499) 7.961 4.966 ( 2.997 -0.778 6.442) 7.147 5.155 ( -0.999 1.052 -3.408) 3.704 5.201 ( 5.654 0.441 -0.750) 5.720 5.292 ( 0.385 -0.160 -3.703) 3.726 5.387 ( 4.546 3.223 -4.518) 7.174 5.666 ( 4.837 -4.368 -5.623) 8.608 5.746 ( -0.996 1.544 0.958) 2.073 5.902 ( 7.032 -4.373 3.164) 8.865 6.399 ( 6.835 -4.560 1.088) 8.288 6.546 ( 5.626 2.063 -4.093) 7.257 6.677 ( 1.060 -7.659 0.948) 7.790 7.043 ( -4.246 4.255 0.474) 6.030 7.242 ( 10.420 -1.381 0.718) 10.535 7.265 ( 6.213 5.499 -1.121) 8.373 7.495 ( -5.721 -5.315 2.237) 8.123 7.655 ( -1.659 -5.978 -3.235) 6.997 8.815 ( 3.566 -3.765 -2.435) 5.729 8.935 ( -6.366 -3.614 0.254) 7.325 9.056 ( -5.635 1.488 1.635) 6.053 9.268 ( -12.469 0.902 0.450) 12.510 9.303 ( -1.398 1.720 0.364) 2.246 9.480 ( 1.574 2.159 -1.970) 3.319 9.708 ( -1.617 -10.731 -0.332) 10.857 9.865 ( 0.750 -4.047 -1.813) 4.498 10.100 ( 1.570 2.183 3.065) 4.077 10.256 ( 0.609 3.218 1.132) 3.465 10.442 ( 2.313 4.034 2.355) 5.213 10.777 ( 8.261 5.390 -2.072) 10.079 11.182 ( -7.802 -1.736 1.084) 8.066 11.260 ( -4.471 -4.147 -0.293) 6.106 11.608 ( -4.660 -2.805 -1.267) 5.584 11.681 ( -4.505 0.468 -1.689) 4.834 13.165 ( 6.603 -7.572 -0.783) 10.077 13.221 ( 6.308 -2.815 0.062) 6.908 13.335 ( -3.066 -2.581 1.438) 4.258 13.375 ( -0.980 3.526 -0.827) 3.752 13.648 ( 5.463 2.894 -0.371) 6.193 13.664 ( 5.362 0.023 0.276) 5.369 13.834 ( -1.629 -0.425 0.653) 1.806 13.994 ( -2.993 1.078 0.158) 3.185 14.180 ( -8.878 6.994 -1.067) 11.353 14.375 ( -1.057 8.439 0.517) 8.521 14.611 ( 5.479 13.240 0.886) 14.356 15.141 ( 6.128 5.063 -2.387) 8.299 15.408 ( -2.649 4.653 0.715) 5.401 15.643 ( -3.117 -2.508 0.111) 4.002 15.693 ( -0.042 3.578 -4.679) 5.891 15.807 ( 5.005 6.797 -3.916) 9.305 16.565 ( -1.038 -0.746 -2.227) 2.567 16.663 ( -2.805 1.706 0.139) 3.286 16.684 ( -1.180 1.699 -1.648) 2.644 16.783 ( -6.348 -2.099 -0.911) 6.748 19.423 ( 2.803 -6.541 0.792) 7.160 19.517 ( 2.725 -5.457 -2.919) 6.762 20.099 ( -1.115 2.614 3.063) 4.178 20.524 ( 3.072 7.496 -8.726) 11.906 21.229 ( -3.459 -5.154 8.860) 10.818 21.647 ( 2.408 -1.896 -4.738) 5.643 23.199 ( -6.103 -1.146 6.370) 8.896 23.525 ( 0.604 -3.579 -3.935) 5.353 26.733 ( 1.755 -0.269 0.043) 1.776 26.784 ( -1.241 0.534 -0.039) 1.351 29.154 ( 8.821 6.500 -0.209) 10.959 29.555 ( -0.276 11.607 0.058) 11.610 29.573 ( -13.042 0.870 2.663) 13.339 30.731 ( 3.293 2.764 0.576) 4.338 30.839 ( 0.367 0.844 -0.365) 0.990 31.056 ( -1.803 -1.719 -12.258) 12.509 31.307 ( -14.136 1.226 -16.930) 22.089 31.444 ( 10.459 13.495 -9.420) 19.500 32.242 ( -1.978 0.770 0.671) 2.226 32.279 ( -2.386 1.687 -1.074) 3.113 32.439 ( -4.261 -1.074 -1.250) 4.568 32.836 ( 1.216 6.753 -18.017) 19.279 33.547 ( -3.162 0.889 4.197) 5.330 34.124 ( 1.761 -3.495 -4.534) 5.990 35.544 ( 1.430 -0.074 2.055) 2.505 35.785 ( 2.822 -0.373 5.553) 6.240 35.928 ( 1.646 1.404 -1.958) 2.918 36.233 ( -2.943 0.154 6.639) 7.264 36.521 ( 0.412 8.550 -5.024) 9.925 36.781 ( 0.709 -1.160 -4.872) 5.058 37.667 ( -0.514 -14.566 43.474) 45.852 38.952 ( 7.081 -13.668 -4.805) 16.126 ======================= Grid point 84 (36/93) ======================= q-point: (-0.12 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.582 ( 0.882 21.172 5.274) 21.837 0.739 ( 7.321 15.154 14.503) 22.216 0.882 ( 10.735 19.678 15.387) 27.189 1.071 ( -0.615 5.019 5.725) 7.639 1.520 ( 5.420 25.300 29.690) 39.382 2.214 ( -4.629 13.409 -19.856) 24.402 2.372 ( -0.260 -3.848 -19.441) 19.820 2.724 ( 0.964 10.826 0.502) 10.881 2.767 ( 2.042 0.980 3.873) 4.487 2.949 ( 1.822 4.711 8.034) 9.489 3.236 ( -10.530 -12.282 3.656) 16.586 3.346 ( 3.681 11.781 -1.026) 12.386 3.426 ( -2.102 -3.849 2.344) 4.973 3.534 ( 2.324 -1.213 6.083) 6.624 3.794 ( 1.557 -1.459 -8.109) 8.385 3.882 ( -3.283 -0.350 7.409) 8.111 4.019 ( 3.350 -7.596 -11.746) 14.384 4.243 ( 3.805 3.621 -2.586) 5.855 4.384 ( -4.575 0.973 1.472) 4.904 4.468 ( -1.051 -2.307 1.994) 3.226 4.509 ( -9.348 -0.681 2.464) 9.691 4.741 ( -2.377 -3.620 1.302) 4.522 4.794 ( 0.147 -0.931 -3.815) 3.929 4.932 ( -0.717 1.067 2.345) 2.674 5.070 ( 3.498 1.842 4.166) 5.743 5.187 ( 1.230 -5.307 7.334) 9.136 5.261 ( -0.648 1.147 -6.639) 6.768 5.346 ( 3.118 -6.134 3.098) 7.547 5.431 ( 3.871 2.679 -3.174) 5.678 5.697 ( -1.039 -6.931 0.551) 7.030 5.815 ( 1.905 -10.484 5.849) 12.155 6.044 ( -0.999 -8.457 -0.668) 8.542 6.473 ( -4.878 -3.100 -0.685) 5.820 6.600 ( 7.955 -2.281 -3.706) 9.068 6.819 ( 4.702 -7.151 4.640) 9.735 6.963 ( -2.460 -0.858 0.108) 2.608 7.251 ( -5.246 4.185 -1.942) 6.986 7.399 ( 5.883 -2.598 2.174) 6.789 7.481 ( -1.222 0.331 3.101) 3.349 7.672 ( 1.058 -4.456 -3.803) 5.953 8.901 ( -0.011 -5.679 -0.509) 5.702 8.930 ( 0.410 -4.538 -0.730) 4.614 9.014 ( 3.153 1.651 2.881) 4.579 9.119 ( -1.463 -0.798 -0.923) 1.904 9.289 ( 0.679 2.639 1.831) 3.283 9.446 ( 0.035 3.829 -1.819) 4.240 9.768 ( -4.995 -7.651 1.460) 9.253 9.922 ( 5.329 -2.191 -4.081) 7.060 10.119 ( -2.596 -1.816 4.495) 5.499 10.200 ( -1.867 3.570 0.966) 4.143 10.486 ( 2.805 1.965 4.076) 5.323 10.774 ( -0.895 6.183 -2.896) 6.886 11.130 ( -0.729 -1.147 1.283) 1.869 11.257 ( 0.850 -2.493 -1.636) 3.101 11.589 ( -0.152 -2.941 -1.641) 3.371 11.612 ( -1.168 0.111 -2.669) 2.915 13.260 ( -2.331 -3.728 0.609) 4.439 13.296 ( 1.448 0.036 -0.018) 1.448 13.330 ( 0.892 2.505 -0.697) 2.749 13.337 ( -2.387 -4.329 -1.639) 5.208 13.672 ( 2.761 9.506 0.982) 9.947 13.752 ( -3.107 3.227 -0.951) 4.580 13.784 ( 2.323 -1.092 0.914) 2.725 13.840 ( -3.414 -0.867 -0.776) 3.606 14.142 ( 3.812 1.056 1.073) 4.098 14.258 ( -3.445 5.357 -1.943) 6.658 14.529 ( 2.143 16.638 2.751) 17.000 15.051 ( -1.145 22.169 -17.933) 28.537 15.348 ( -2.855 1.734 1.375) 3.613 15.555 ( -3.032 13.600 -13.324) 19.279 15.633 ( 0.225 -1.306 0.428) 1.393 15.692 ( -1.425 2.449 -1.381) 3.152 16.573 ( -0.789 0.991 -1.159) 1.717 16.613 ( 5.339 0.297 -0.875) 5.418 16.673 ( 2.750 2.009 1.159) 3.597 16.717 ( -2.052 0.533 0.454) 2.168 19.502 ( -2.423 -5.924 0.899) 6.463 19.601 ( 2.359 -5.425 -1.964) 6.233 20.058 ( -3.140 2.771 3.153) 5.242 20.394 ( 1.117 11.058 -11.092) 15.702 21.286 ( -5.956 -7.780 8.517) 12.982 21.667 ( 1.231 -1.317 -4.921) 5.241 23.155 ( -4.413 -1.750 5.742) 7.451 23.547 ( 1.254 -1.938 -3.827) 4.469 26.758 ( -0.267 -0.003 0.109) 0.289 26.763 ( 0.421 0.225 -0.068) 0.482 29.203 ( 0.095 9.307 0.369) 9.315 29.352 ( -0.972 3.958 -1.223) 4.255 29.581 ( 6.047 2.573 -1.455) 6.730 30.171 ( -21.072 54.263 -54.543) 79.771 30.741 ( 0.326 2.023 1.264) 2.408 30.832 ( 0.024 0.844 -0.867) 1.210 31.162 ( -0.270 2.098 1.718) 2.725 31.388 ( -0.151 6.526 -3.989) 7.650 32.211 ( -0.866 1.738 -0.156) 1.948 32.229 ( 0.676 0.870 -0.534) 1.224 32.476 ( 4.462 -1.730 2.494) 5.396 32.696 ( 4.925 8.495 -10.619) 14.463 33.546 ( -1.574 0.146 7.502) 7.667 34.142 ( 0.684 -2.618 -6.040) 6.618 35.576 ( 0.982 -0.071 3.413) 3.552 35.875 ( 0.412 0.272 -2.337) 2.389 36.049 ( 13.086 -2.207 5.575) 14.394 36.228 ( -2.573 -0.451 5.053) 5.688 36.397 ( -0.229 8.413 -4.872) 9.725 36.779 ( 1.480 -0.777 -4.996) 5.268 38.278 ( -7.081 -46.232 46.667) 66.070 39.135 ( 2.192 -11.236 -2.917) 11.814 ======================= Grid point 87 (37/93) ======================= q-point: ( 0.25 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( 7.850 0.000 -2.516) 8.243 1.083 ( -2.154 -0.000 -2.966) 3.666 1.738 ( -12.775 -0.000 -3.290) 13.192 1.977 ( 9.779 0.000 -3.488) 10.382 2.169 ( 9.647 0.000 -2.244) 9.905 2.217 ( 13.555 0.000 2.866) 13.855 2.628 ( 9.275 0.000 -4.788) 10.438 2.791 ( 0.643 0.000 11.756) 11.774 2.952 ( -5.982 -0.000 4.720) 7.620 3.190 ( -8.154 -0.000 -6.151) 10.213 3.272 ( 2.216 0.000 0.027) 2.216 3.361 ( -8.930 -0.000 -5.131) 10.299 3.532 ( -1.201 -0.000 -6.960) 7.063 3.572 ( -16.872 -0.000 14.221) 22.066 3.712 ( 10.927 0.000 4.394) 11.777 3.829 ( -2.978 -0.000 -4.245) 5.185 3.881 ( 7.135 0.000 -1.493) 7.290 4.097 ( -6.177 -0.000 2.971) 6.854 4.113 ( -5.259 -0.000 -0.403) 5.275 4.333 ( 1.990 0.000 12.958) 13.109 4.333 ( 8.576 0.000 -6.555) 10.794 4.732 ( -5.868 -0.000 2.890) 6.541 4.796 ( 1.557 0.000 0.849) 1.774 4.834 ( -6.877 -0.000 3.289) 7.623 4.852 ( -1.288 -0.000 -3.500) 3.729 4.974 ( -2.758 -0.000 3.112) 4.158 5.032 ( 6.024 0.000 1.597) 6.232 5.163 ( 2.791 0.000 -5.583) 6.242 5.489 ( -1.562 -0.000 -5.184) 5.415 5.570 ( 9.626 0.000 -7.764) 12.367 5.660 ( 3.520 0.000 2.718) 4.447 5.688 ( -5.786 -0.000 1.682) 6.026 6.313 ( -3.154 -0.000 9.273) 9.795 6.389 ( -0.686 -0.000 -3.025) 3.102 6.473 ( -4.783 -0.000 -3.736) 6.069 6.805 ( 7.036 0.000 -0.053) 7.036 7.193 ( 4.120 0.000 -0.677) 4.175 7.514 ( 0.812 0.000 -2.099) 2.250 7.614 ( -8.284 -0.000 0.608) 8.306 7.708 ( -6.519 -0.000 0.424) 6.533 8.898 ( -0.877 -0.000 3.717) 3.819 8.945 ( 2.170 0.000 -6.086) 6.462 9.184 ( -0.470 -0.000 3.955) 3.983 9.221 ( -0.165 -0.000 -8.241) 8.242 9.688 ( -6.738 -0.000 -0.464) 6.754 9.728 ( -12.422 -0.000 5.821) 13.718 9.758 ( -0.721 -0.000 -0.953) 1.195 9.852 ( 4.384 0.000 -1.869) 4.766 10.022 ( 1.827 0.000 0.360) 1.863 10.096 ( 0.029 0.000 -0.334) 0.335 10.360 ( 5.088 0.000 4.707) 6.931 10.499 ( 8.531 0.000 -4.914) 9.845 11.481 ( -0.759 -0.000 0.814) 1.113 11.508 ( 1.491 0.000 1.384) 2.034 11.797 ( -0.947 -0.000 -1.908) 2.130 11.858 ( 1.147 0.000 1.991) 2.297 12.782 ( -10.349 -0.000 -1.805) 10.505 12.835 ( -8.835 -0.000 1.163) 8.912 13.259 ( -1.075 -0.000 -1.360) 1.733 13.323 ( 0.162 0.000 2.103) 2.109 13.607 ( 1.178 0.000 1.205) 1.685 13.684 ( -0.394 -0.000 -1.485) 1.537 13.949 ( 3.756 0.000 1.896) 4.207 13.970 ( 1.034 0.000 -2.030) 2.278 14.422 ( 1.950 0.000 -0.660) 2.059 14.476 ( -1.193 -0.000 0.639) 1.353 14.754 ( 13.341 0.000 0.386) 13.347 14.826 ( 13.249 0.000 -0.137) 13.250 15.582 ( 4.181 0.000 3.608) 5.522 15.585 ( 5.300 0.000 -3.151) 6.166 15.760 ( -0.450 -0.000 1.119) 1.206 15.855 ( -0.930 -0.000 -1.921) 2.134 16.646 ( 0.480 0.000 -1.721) 1.787 16.657 ( 2.354 0.000 1.515) 2.799 16.774 ( -3.022 -0.000 2.044) 3.648 16.917 ( -0.283 -0.000 -3.623) 3.634 19.216 ( -2.465 -0.000 2.781) 3.716 19.382 ( -3.841 -0.000 -3.242) 5.026 20.125 ( 3.289 0.000 0.305) 3.303 20.492 ( 5.299 0.000 -0.376) 5.313 21.214 ( -3.718 -0.000 6.398) 7.399 21.649 ( -0.444 -0.000 -2.646) 2.683 23.240 ( -2.716 -0.000 9.630) 10.006 23.445 ( 0.261 0.000 -7.476) 7.480 26.741 ( 0.302 0.000 -0.818) 0.872 26.771 ( -0.135 -0.000 0.722) 0.735 29.285 ( 6.097 0.000 -3.438) 6.999 29.580 ( 9.027 0.000 5.829) 10.745 30.162 ( 3.465 0.000 6.293) 7.184 30.270 ( -11.487 -0.000 -3.737) 12.079 30.836 ( 1.332 0.000 1.986) 2.391 30.855 ( 2.869 0.000 -2.436) 3.764 31.249 ( 7.698 0.000 15.103) 16.952 31.257 ( 15.684 0.000 -9.742) 18.463 32.207 ( -1.496 -0.000 0.366) 1.540 32.341 ( 1.566 0.000 0.824) 1.769 32.671 ( 1.876 0.000 0.162) 1.883 32.898 ( 1.964 0.000 -11.976) 12.136 33.629 ( -2.102 -0.000 7.752) 8.032 33.979 ( 0.761 0.000 -5.657) 5.708 35.596 ( -3.022 -0.000 -5.610) 6.373 35.858 ( 3.267 0.000 1.305) 3.518 35.982 ( -1.173 -0.000 -10.854) 10.918 36.278 ( -2.956 -0.000 9.566) 10.012 36.656 ( 5.341 0.000 -2.782) 6.023 36.747 ( 1.884 0.000 -5.132) 5.467 37.826 ( -15.314 -0.000 24.032) 28.497 38.533 ( -8.564 -0.000 -13.287) 15.808 ======================= Grid point 88 (38/93) ======================= q-point: (-0.62 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( 0.740 1.010 -2.538) 2.830 1.116 ( 2.603 0.148 -1.242) 2.888 1.647 ( 1.026 -4.200 3.542) 5.589 2.135 ( 10.750 -0.356 0.576) 10.771 2.240 ( 4.297 6.213 -6.986) 10.290 2.313 ( -4.793 3.261 -5.240) 7.814 2.732 ( 2.883 0.821 -1.662) 3.427 2.766 ( 1.707 3.073 6.399) 7.300 2.991 ( -9.288 -5.858 -5.976) 12.502 3.010 ( 9.489 6.836 10.221) 15.532 3.209 ( -6.468 4.968 -2.673) 8.583 3.292 ( -7.813 -1.814 -1.271) 8.121 3.407 ( -6.570 -7.610 10.315) 14.404 3.489 ( -4.517 -2.020 -2.344) 5.475 3.691 ( -6.766 3.559 -3.349) 8.347 3.891 ( 5.475 -3.775 -4.628) 8.102 3.909 ( -1.022 -4.154 6.013) 7.379 4.056 ( -0.072 1.215 3.099) 3.330 4.187 ( 6.621 -4.694 -2.269) 8.428 4.392 ( 1.667 3.451 -2.141) 4.390 4.440 ( 5.119 0.773 -5.255) 7.377 4.629 ( -3.939 1.295 0.953) 4.254 4.711 ( -6.895 2.616 10.320) 12.684 4.813 ( -1.191 -2.819 1.757) 3.529 4.818 ( -0.334 -1.629 1.407) 2.179 5.071 ( 3.430 -0.440 6.608) 7.458 5.177 ( 6.796 -2.619 3.771) 8.201 5.249 ( 8.520 -1.143 -3.346) 9.224 5.414 ( -1.984 0.896 -3.767) 4.351 5.544 ( -4.050 -0.253 -7.659) 8.668 5.686 ( 6.466 5.710 0.077) 8.627 5.813 ( 7.058 -6.359 0.900) 9.543 6.249 ( -5.428 6.403 3.488) 9.090 6.402 ( -0.924 -5.993 -0.120) 6.065 6.427 ( 3.778 0.930 -3.917) 5.521 6.941 ( 9.820 1.899 1.174) 10.071 7.228 ( 2.871 3.598 0.547) 4.635 7.449 ( -8.727 2.778 1.399) 9.264 7.483 ( -1.630 1.066 -4.509) 4.912 7.632 ( -6.851 -5.414 -0.872) 8.775 8.879 ( 0.256 4.357 -2.716) 5.140 8.961 ( 1.178 -3.519 1.425) 3.975 9.167 ( 0.563 1.499 -3.988) 4.297 9.237 ( -0.208 -4.161 -2.938) 5.098 9.518 ( -10.898 1.764 3.648) 11.626 9.560 ( -11.695 -1.399 1.936) 11.936 9.709 ( -6.262 -3.837 0.184) 7.346 9.824 ( -5.764 -0.238 0.059) 5.769 10.113 ( 7.348 0.963 0.554) 7.432 10.182 ( 10.423 2.918 -0.886) 10.860 10.445 ( 5.724 3.824 3.427) 7.690 10.609 ( 4.304 -4.237 -3.260) 6.863 11.419 ( -7.264 0.696 1.230) 7.400 11.487 ( -5.650 0.388 -0.082) 5.664 11.732 ( -4.417 -0.003 -2.484) 5.068 11.856 ( -3.204 0.014 1.773) 3.662 12.652 ( 3.874 4.163 -1.072) 5.787 12.829 ( -1.754 -8.936 0.761) 9.138 13.260 ( 0.949 -1.695 -0.763) 2.087 13.363 ( 1.901 -1.721 1.321) 2.885 13.596 ( 0.791 5.223 0.681) 5.326 13.709 ( 0.305 -3.394 -0.907) 3.526 13.938 ( 0.455 3.450 -1.241) 3.694 14.041 ( 2.156 -2.378 1.416) 3.508 14.450 ( 2.932 2.716 0.294) 4.007 14.485 ( 2.715 0.153 -0.443) 2.756 14.812 ( 11.672 14.785 0.785) 18.854 15.089 ( 3.795 -9.504 0.009) 10.234 15.603 ( 0.777 1.457 -0.569) 1.747 15.655 ( 0.195 -2.492 0.686) 2.592 15.760 ( 1.479 3.040 0.459) 3.412 15.838 ( 1.907 1.215 -1.170) 2.546 16.654 ( 0.920 -1.513 -0.611) 1.873 16.679 ( -1.190 -0.276 -0.496) 1.318 16.738 ( -1.682 0.639 2.237) 2.870 16.875 ( -2.738 -0.558 -2.683) 3.874 19.209 ( -0.879 -0.130 3.186) 3.308 19.330 ( -0.753 -1.870 -3.988) 4.469 20.168 ( 2.694 2.084 1.361) 3.668 20.575 ( 5.467 -0.078 -1.634) 5.706 21.188 ( -4.333 -0.295 5.956) 7.371 21.622 ( -0.316 -0.084 -3.452) 3.467 23.236 ( -4.712 0.361 9.375) 10.499 23.422 ( 0.101 -3.151 -6.720) 7.423 26.729 ( 0.566 2.101 -0.339) 2.202 26.786 ( -0.212 -1.935 0.267) 1.965 29.297 ( 5.163 10.110 -1.314) 11.428 29.720 ( -4.071 -10.804 4.035) 12.231 30.008 ( -7.363 9.309 -1.547) 11.970 30.403 ( 10.915 -10.203 2.732) 15.189 30.855 ( 0.767 0.606 0.834) 1.285 30.872 ( 0.657 -1.063 -1.227) 1.752 31.409 ( 8.066 5.713 7.702) 12.531 31.468 ( 12.682 1.623 -1.697) 12.898 32.200 ( -1.205 -1.979 1.807) 2.938 32.355 ( -0.024 0.797 0.464) 0.923 32.692 ( 0.891 3.560 0.766) 3.749 32.840 ( -1.780 -4.652 -10.085) 11.248 33.631 ( -3.042 -0.093 5.697) 6.459 33.976 ( 2.095 -1.013 -4.178) 4.782 35.532 ( -1.305 -0.145 -3.658) 3.886 35.889 ( -2.349 -0.776 -8.730) 9.074 35.910 ( 2.193 -0.322 -1.628) 2.750 36.280 ( -3.598 0.658 8.925) 9.645 36.694 ( 3.063 2.687 -2.402) 4.730 36.760 ( 1.524 -1.999 -3.756) 4.519 37.736 ( -9.684 5.953 19.114) 22.239 38.390 ( -1.600 -5.541 -12.040) 13.350 ======================= Grid point 89 (39/93) ======================= q-point: (-0.50 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( 2.902 1.552 -1.812) 3.757 1.100 ( -1.920 1.394 -1.090) 2.611 1.791 ( 2.249 -2.137 0.747) 3.191 2.032 ( -4.800 18.233 -7.300) 20.218 2.092 ( -3.383 8.313 -1.887) 9.171 2.384 ( 11.887 -3.841 6.370) 14.023 2.588 ( -8.698 12.409 0.137) 15.155 2.823 ( 4.931 4.817 0.019) 6.893 2.955 ( -5.504 -0.458 -6.285) 8.367 3.048 ( 1.440 -5.130 -0.242) 5.334 3.166 ( 0.277 -1.832 4.720) 5.071 3.253 ( -3.343 -0.285 2.416) 4.135 3.412 ( -2.801 -1.587 1.473) 3.541 3.494 ( -3.525 -6.135 6.793) 9.809 3.562 ( 2.245 -0.112 -3.965) 4.558 3.952 ( -1.275 -1.771 3.341) 3.990 3.980 ( 2.440 -1.970 -0.007) 3.136 4.150 ( 6.096 -1.423 3.206) 7.033 4.198 ( -2.527 0.684 -3.041) 4.012 4.395 ( -1.778 -5.825 -3.327) 6.940 4.401 ( 2.009 1.278 -6.804) 7.208 4.639 ( 0.496 1.415 3.744) 4.033 4.687 ( -1.794 0.426 9.745) 9.918 4.835 ( 1.128 -1.666 5.181) 5.558 4.905 ( 1.017 -4.278 3.430) 5.577 5.089 ( -2.003 2.385 0.609) 3.173 5.265 ( 2.287 -0.474 -3.683) 4.361 5.339 ( -4.501 -4.488 0.988) 6.432 5.441 ( 4.166 2.129 -5.531) 7.244 5.463 ( 3.379 -5.691 1.090) 6.708 5.709 ( 5.609 7.882 -1.755) 9.832 5.949 ( 1.380 -0.044 1.075) 1.750 6.161 ( 2.319 0.631 0.170) 2.410 6.445 ( -0.260 -7.629 -4.262) 8.743 6.511 ( 7.224 0.985 0.790) 7.333 7.086 ( 9.584 1.767 0.651) 9.767 7.235 ( 3.120 6.158 1.773) 7.127 7.338 ( -6.390 -2.086 1.082) 6.808 7.407 ( -0.063 1.703 -4.632) 4.936 7.572 ( -5.104 -4.068 -2.697) 7.062 8.812 ( -0.296 3.367 -3.575) 4.920 9.007 ( -4.452 -1.188 0.157) 4.611 9.152 ( 0.053 1.101 5.446) 5.556 9.218 ( -1.222 -5.190 -7.297) 9.038 9.379 ( -9.233 -4.820 1.032) 10.466 9.471 ( -0.048 2.103 0.153) 2.109 9.630 ( -12.569 -4.578 1.896) 13.510 9.739 ( -4.030 -3.408 0.082) 5.279 10.196 ( 4.798 5.124 2.151) 7.342 10.292 ( 9.337 5.758 -0.392) 10.977 10.519 ( 3.063 1.814 2.998) 4.654 10.691 ( 5.207 -3.634 -3.266) 7.140 11.275 ( -10.139 -0.414 1.199) 10.218 11.340 ( -9.374 1.489 -0.911) 9.535 11.640 ( -5.881 -1.531 -2.412) 6.538 11.781 ( -6.534 0.044 0.732) 6.575 12.800 ( 13.238 -3.012 -1.201) 13.630 12.949 ( 5.639 -6.710 1.051) 8.827 13.300 ( 1.695 -1.352 -0.097) 2.171 13.435 ( 4.478 -1.636 0.368) 4.782 13.549 ( -0.344 5.151 0.696) 5.209 13.728 ( -0.493 -1.726 -0.466) 1.855 13.909 ( 1.419 4.242 -0.152) 4.475 14.059 ( -1.602 0.082 -0.131) 1.609 14.478 ( -0.111 4.677 -1.364) 4.873 14.502 ( 3.760 2.102 2.007) 4.753 14.853 ( 7.038 9.693 0.602) 11.994 15.139 ( -0.971 -0.801 0.240) 1.282 15.591 ( -0.949 0.463 0.065) 1.058 15.646 ( -1.977 1.102 0.689) 2.366 15.758 ( 1.413 2.409 -0.746) 2.891 15.874 ( 5.645 3.235 -0.306) 6.514 16.628 ( -2.878 1.058 -1.697) 3.505 16.686 ( -0.143 -2.213 0.484) 2.270 16.736 ( 0.324 1.080 1.406) 1.803 16.813 ( -3.723 -0.879 -2.251) 4.438 19.232 ( 0.332 -2.384 1.953) 3.100 19.345 ( 1.555 -4.032 -3.729) 5.708 20.186 ( 1.766 3.657 2.333) 4.684 20.637 ( 5.128 2.046 -3.497) 6.535 21.162 ( -4.438 -1.324 5.927) 7.522 21.604 ( 0.656 -0.813 -4.467) 4.587 23.204 ( -7.035 -1.438 8.817) 11.371 23.422 ( 0.292 -3.999 -5.738) 7.000 26.723 ( 1.181 1.513 -0.046) 1.920 26.797 ( -0.638 -1.167 0.012) 1.330 29.268 ( 4.718 9.250 0.148) 10.385 29.696 ( -12.092 -6.481 2.908) 14.025 29.841 ( -3.544 5.173 -0.162) 6.272 30.685 ( 11.876 -2.124 0.384) 12.071 30.862 ( 0.564 0.862 0.039) 1.030 30.906 ( 2.859 -4.149 -2.079) 5.451 31.454 ( -1.185 5.470 7.390) 9.270 31.625 ( 16.266 7.606 -6.867) 19.225 32.229 ( -0.786 -3.086 3.555) 4.773 32.333 ( -1.018 1.525 -0.458) 1.890 32.587 ( -6.339 3.165 -5.655) 9.066 32.857 ( 1.432 -4.531 -2.856) 5.544 33.602 ( -4.160 -0.078 3.504) 5.439 34.009 ( 2.431 -2.550 -3.483) 4.954 35.515 ( 0.679 -0.036 -0.479) 0.832 35.802 ( -3.098 -0.663 -4.763) 5.720 35.938 ( 2.318 0.340 -2.070) 3.127 36.263 ( -3.929 0.806 7.847) 8.813 36.687 ( 1.821 3.031 -2.229) 4.180 36.768 ( 0.043 -1.424 -3.588) 3.860 37.631 ( -6.610 9.271 15.812) 19.485 38.449 ( 4.148 -12.920 -8.225) 15.868 ======================= Grid point 90 (40/93) ======================= q-point: (-0.38 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( -2.005 7.009 0.929) 7.349 1.074 ( -0.632 2.761 -0.512) 2.878 1.590 ( -4.956 20.240 -0.799) 20.853 1.680 ( -8.856 24.138 -3.282) 25.920 2.181 ( 11.502 -7.227 -13.362) 19.054 2.270 ( -7.736 28.422 18.262) 34.657 2.575 ( -0.935 -6.567 5.678) 8.732 2.799 ( -1.686 7.223 -9.106) 11.745 2.960 ( 10.331 -1.163 -3.435) 10.949 3.087 ( 1.012 5.071 1.240) 5.318 3.174 ( -4.901 -3.326 6.537) 8.821 3.230 ( -2.186 -7.716 0.600) 8.042 3.383 ( -5.142 -2.454 -0.976) 5.780 3.425 ( -3.730 0.260 3.559) 5.162 3.791 ( 9.864 -8.443 -0.233) 12.986 3.953 ( -0.829 8.086 -0.895) 8.177 3.989 ( 0.978 3.755 2.532) 4.633 4.061 ( -1.741 1.355 1.639) 2.748 4.325 ( -0.291 -0.500 -1.634) 1.733 4.406 ( 3.840 -12.443 5.560) 14.160 4.442 ( -2.986 -6.776 -1.057) 7.480 4.663 ( -2.749 -2.623 5.751) 6.893 4.706 ( -0.555 0.498 3.301) 3.384 4.881 ( -5.199 -0.516 -3.165) 6.108 4.932 ( 2.312 -2.797 6.627) 7.556 5.093 ( 1.903 -2.986 1.305) 3.773 5.243 ( -3.027 -2.178 -5.639) 6.761 5.300 ( 1.737 0.174 -1.728) 2.457 5.457 ( 4.364 3.780 -2.504) 6.293 5.591 ( 1.335 -4.273 -0.311) 4.488 5.736 ( 5.592 1.343 -0.931) 5.826 5.891 ( -3.190 2.658 0.639) 4.201 6.309 ( 9.256 -4.216 0.021) 10.171 6.474 ( -3.001 -8.308 -4.401) 9.869 6.621 ( 6.030 0.761 2.273) 6.489 7.160 ( -3.191 6.273 -4.291) 8.243 7.199 ( 3.888 -1.974 -1.517) 4.616 7.337 ( 4.857 0.817 4.034) 6.366 7.409 ( -0.414 -2.437 -2.391) 3.439 7.557 ( 1.419 -2.582 -1.478) 3.296 8.783 ( 2.225 0.551 -3.028) 3.798 8.901 ( -5.837 0.608 -0.740) 5.915 9.085 ( -4.567 1.052 2.122) 5.145 9.271 ( -2.220 -1.469 1.010) 2.847 9.315 ( -8.182 0.656 0.005) 8.208 9.478 ( 0.492 -9.110 -0.210) 9.126 9.506 ( -3.052 -2.174 -0.701) 3.812 9.755 ( -0.628 -5.865 -1.484) 6.082 10.190 ( 0.018 6.257 4.143) 7.504 10.361 ( 6.075 6.591 0.010) 8.964 10.516 ( -1.164 2.608 2.954) 4.109 10.824 ( 8.979 -1.488 -2.746) 9.507 11.149 ( -8.453 -2.301 0.946) 8.811 11.194 ( -6.153 -0.552 -0.747) 6.222 11.557 ( -4.453 -2.061 -2.069) 5.326 11.680 ( -5.552 -0.545 -1.373) 5.745 13.027 ( 8.678 -5.521 -0.889) 10.324 13.126 ( 6.498 -5.497 0.718) 8.541 13.328 ( 1.960 1.426 0.312) 2.444 13.466 ( -0.844 4.494 -0.156) 4.575 13.583 ( 7.372 -2.973 0.271) 7.953 13.732 ( -0.275 -0.899 0.120) 0.948 13.886 ( 1.511 5.621 -0.087) 5.821 14.023 ( -1.342 1.267 0.119) 1.849 14.332 ( -7.885 7.095 -1.199) 10.675 14.509 ( -2.034 5.366 1.597) 5.956 14.844 ( 4.627 8.154 1.016) 9.431 15.169 ( 3.637 -0.068 -0.133) 3.641 15.542 ( -1.700 5.801 0.477) 6.064 15.605 ( -2.371 0.369 1.087) 2.634 15.736 ( -0.464 1.911 -1.214) 2.311 15.935 ( 6.930 4.778 -2.991) 8.933 16.565 ( -1.867 0.805 -1.492) 2.522 16.682 ( -1.947 -0.068 -0.506) 2.012 16.728 ( 0.096 2.352 0.625) 2.435 16.761 ( -2.370 -0.453 -0.570) 2.479 19.293 ( 0.445 -5.799 1.377) 5.977 19.402 ( 2.370 -5.338 -3.917) 7.032 20.180 ( 0.477 4.651 3.102) 5.611 20.645 ( 3.862 4.673 -6.556) 8.929 21.153 ( -3.869 -2.731 6.433) 7.988 21.607 ( 1.863 -1.848 -5.420) 6.022 23.150 ( -8.826 -2.965 7.888) 12.203 23.445 ( 1.719 -3.977 -4.782) 6.453 26.737 ( 1.804 0.618 0.109) 1.910 26.788 ( -1.250 -0.204 -0.070) 1.269 29.282 ( 6.792 6.088 0.771) 9.154 29.564 ( -10.591 -1.779 2.038) 10.931 29.737 ( -3.195 6.617 1.988) 7.612 30.791 ( 3.826 2.894 0.141) 4.799 30.855 ( -0.042 0.881 -0.470) 1.000 30.997 ( 4.333 -3.478 -10.793) 12.139 31.366 ( -6.181 5.165 1.305) 8.160 31.719 ( 12.702 11.664 -11.297) 20.616 32.253 ( -2.463 -0.106 2.964) 3.855 32.303 ( 0.038 1.087 -0.564) 1.225 32.426 ( -5.243 0.185 -2.374) 5.758 32.879 ( 0.666 -1.487 -8.300) 8.458 33.558 ( -3.249 0.372 3.836) 5.040 34.050 ( 1.658 -3.430 -4.045) 5.557 35.542 ( 1.424 -0.028 2.162) 2.589 35.784 ( 1.792 0.201 5.804) 6.078 35.950 ( 1.973 0.761 -2.859) 3.556 36.241 ( -3.529 0.533 6.797) 7.677 36.657 ( 0.461 4.464 -2.976) 5.385 36.754 ( 0.438 -1.333 -5.035) 5.227 37.574 ( -5.755 3.352 21.877) 22.868 38.638 ( 5.415 -16.386 -6.522) 18.449 ======================= Grid point 91 (41/93) ======================= q-point: (-0.25 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.925 ( 1.782 9.952 6.027) 11.771 0.997 ( 0.113 8.603 1.362) 8.711 1.275 ( -6.417 22.372 -1.284) 23.310 1.394 ( 7.440 23.493 7.213) 25.677 2.077 ( 2.476 25.628 21.880) 33.788 2.291 ( 5.494 -2.711 -14.806) 16.024 2.496 ( -2.487 10.266 -14.786) 18.171 2.721 ( 0.935 -1.656 4.008) 4.436 2.976 ( -0.411 11.829 0.068) 11.836 3.089 ( -8.431 2.288 8.338) 12.076 3.118 ( 3.219 3.926 -0.703) 5.125 3.313 ( 0.282 -7.108 4.385) 8.357 3.380 ( 3.593 -4.805 1.216) 6.122 3.484 ( -1.251 -13.205 -1.563) 13.356 3.781 ( 1.480 14.672 -5.028) 15.580 3.895 ( -2.286 0.175 0.188) 2.300 3.972 ( 0.453 -0.353 1.669) 1.765 4.155 ( 1.340 -8.702 0.748) 8.837 4.361 ( -0.828 -4.259 3.405) 5.515 4.432 ( -6.310 -4.552 2.023) 8.039 4.484 ( -5.181 -0.730 -0.435) 5.251 4.700 ( -0.215 -3.609 2.485) 4.387 4.723 ( -1.400 -3.263 4.914) 6.063 4.852 ( 2.270 -4.194 -1.021) 4.877 5.050 ( 1.508 -4.132 9.511) 10.479 5.111 ( -1.876 -1.886 -1.053) 2.861 5.271 ( -0.025 -0.040 -2.608) 2.609 5.297 ( 4.093 -1.768 0.454) 4.482 5.470 ( 1.981 2.261 -6.129) 6.826 5.616 ( 1.186 -1.648 -1.420) 2.477 5.751 ( -1.020 1.791 -0.876) 2.240 5.885 ( -1.673 -6.494 -0.680) 6.740 6.398 ( -4.866 -3.967 -1.759) 6.520 6.532 ( 5.223 -6.200 -2.407) 8.456 6.729 ( 5.043 -1.447 4.983) 7.236 7.014 ( -3.631 4.833 -5.812) 8.386 7.223 ( -3.618 -4.296 -2.499) 6.148 7.402 ( 3.934 1.453 0.212) 4.199 7.478 ( 2.744 -2.130 3.014) 4.599 7.583 ( -0.316 -2.185 -1.552) 2.699 8.819 ( -3.030 -1.885 -1.622) 3.920 8.842 ( 3.678 -2.957 -1.477) 4.946 9.077 ( -3.653 3.560 2.218) 5.562 9.112 ( 2.442 0.515 0.309) 2.515 9.308 ( 0.207 -1.171 1.860) 2.208 9.488 ( -0.639 -0.601 -2.187) 2.357 9.602 ( -0.067 -8.456 1.303) 8.557 9.822 ( 3.504 -6.512 -3.527) 8.193 10.137 ( -3.965 3.988 5.129) 7.612 10.327 ( 0.827 8.192 -0.464) 8.246 10.524 ( 0.816 1.389 4.951) 5.207 10.894 ( 0.914 4.417 -3.762) 5.873 11.084 ( -1.669 -3.287 1.352) 3.926 11.172 ( 0.576 -4.301 -0.349) 4.353 11.535 ( 0.999 -1.982 -1.617) 2.746 11.612 ( -1.396 -0.537 -3.520) 3.825 13.158 ( 1.360 -5.107 0.587) 5.318 13.225 ( -1.950 -5.983 -1.069) 6.382 13.337 ( 0.543 2.898 0.559) 3.001 13.398 ( -0.897 3.917 -1.001) 4.141 13.719 ( -3.409 -3.613 0.337) 4.979 13.734 ( 3.174 -2.711 0.197) 4.178 13.876 ( 3.756 8.270 0.618) 9.104 13.911 ( -4.227 5.256 -0.511) 6.764 14.220 ( 4.334 6.169 1.802) 7.752 14.380 ( -3.895 6.258 -2.173) 7.685 14.835 ( 1.981 11.038 3.954) 11.891 15.190 ( -1.494 0.191 -3.245) 3.577 15.450 ( -0.491 8.247 1.202) 8.349 15.591 ( -0.052 -1.381 0.673) 1.537 15.708 ( 1.167 2.075 -1.254) 2.691 15.868 ( -2.773 10.471 -10.924) 15.384 16.576 ( 3.746 -0.562 0.778) 3.867 16.632 ( -1.334 1.248 -1.839) 2.592 16.717 ( 1.066 2.063 0.377) 2.353 16.737 ( 0.685 1.494 0.871) 1.861 19.355 ( -2.765 -7.766 0.662) 8.270 19.480 ( 2.871 -6.005 -3.170) 7.373 20.144 ( -1.368 5.253 3.484) 6.450 20.578 ( 1.651 7.269 -9.848) 12.351 21.172 ( -3.424 -3.992 7.083) 8.822 21.625 ( 1.729 -2.399 -5.823) 6.531 23.099 ( -6.227 -3.415 6.373) 9.542 23.494 ( 2.808 -3.170 -3.632) 5.579 26.759 ( -0.650 0.061 0.166) 0.673 26.769 ( 0.793 0.307 -0.074) 0.854 29.378 ( 10.490 4.318 1.893) 11.501 29.396 ( -11.796 3.297 1.950) 12.402 29.663 ( 1.442 6.251 1.227) 6.531 30.784 ( -6.870 10.357 -28.123) 30.747 30.792 ( 0.241 3.243 0.248) 3.261 30.863 ( -0.369 2.999 -6.725) 7.372 31.230 ( -3.679 4.548 2.285) 6.280 31.615 ( 1.120 14.303 -11.200) 18.201 32.219 ( -1.560 -0.375 0.652) 1.732 32.273 ( 0.158 2.551 -0.932) 2.720 32.455 ( 4.877 -0.512 3.794) 6.200 32.814 ( 1.947 2.234 -12.940) 13.275 33.552 ( -1.245 0.523 6.460) 6.600 34.076 ( 0.699 -3.545 -5.280) 6.398 35.576 ( 0.834 0.087 3.711) 3.805 35.885 ( 2.142 0.722 1.004) 2.473 36.012 ( 8.260 -1.494 6.876) 10.851 36.226 ( -2.885 0.091 5.914) 6.581 36.563 ( -0.499 7.045 -7.316) 10.168 36.757 ( 1.762 -1.331 -4.651) 5.148 37.692 ( -7.875 -13.484 35.017) 38.341 38.840 ( 2.674 -16.838 -5.436) 17.894 ======================= Grid point 92 (42/93) ======================= q-point: (-0.12 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( 8.330 12.459 1.812) 15.097 1.039 ( -1.320 1.261 1.767) 2.541 1.106 ( 11.807 11.474 9.839) 19.180 1.487 ( 20.973 14.623 12.860) 28.620 2.037 ( 3.174 15.734 9.656) 18.731 2.250 ( 1.797 7.217 -2.841) 7.962 2.295 ( 8.705 15.415 -17.728) 25.054 2.790 ( -1.068 2.047 1.202) 2.603 2.854 ( 1.763 1.887 0.761) 2.692 2.989 ( -5.654 -6.255 1.797) 8.621 3.163 ( 8.184 8.274 0.089) 11.638 3.357 ( -3.162 -1.954 1.275) 3.929 3.507 ( 4.129 3.289 3.392) 6.275 3.566 ( -0.418 -6.880 2.347) 7.282 3.721 ( 2.740 0.260 -2.187) 3.515 3.852 ( -4.156 -1.641 6.302) 7.726 4.000 ( 0.980 -2.256 -1.829) 3.066 4.187 ( -3.737 -2.096 -5.078) 6.644 4.364 ( 0.287 2.162 -2.621) 3.410 4.370 ( -7.256 -5.231 2.361) 9.251 4.445 ( 0.511 -2.722 0.191) 2.776 4.655 ( -7.266 0.206 3.533) 8.082 4.792 ( -0.808 -2.938 2.971) 4.256 4.933 ( 0.593 -0.293 1.143) 1.320 5.071 ( -7.990 -5.534 1.413) 9.822 5.149 ( -1.661 -1.917 8.185) 8.569 5.253 ( 1.248 0.096 -7.869) 7.968 5.376 ( 1.242 -2.314 -2.813) 3.849 5.391 ( -1.729 -0.347 -1.699) 2.448 5.657 ( 2.343 2.958 -5.049) 6.303 5.747 ( -2.187 -7.562 7.260) 10.709 5.864 ( -8.402 -5.705 -2.146) 10.380 6.339 ( -4.996 -5.060 -0.759) 7.151 6.618 ( -0.514 -3.442 -2.470) 4.267 6.855 ( -5.441 -1.692 2.629) 6.276 6.884 ( 2.575 -0.726 -1.443) 3.040 7.120 ( -9.529 2.657 -1.165) 9.961 7.450 ( -4.041 1.948 2.762) 5.268 7.483 ( 4.157 -3.432 1.133) 5.508 7.654 ( 4.830 -5.961 -3.588) 8.470 8.806 ( -1.081 -5.060 -1.327) 5.342 8.946 ( 5.034 -2.144 -1.117) 5.584 9.046 ( 1.139 -3.574 1.149) 3.923 9.279 ( 14.605 2.729 0.826) 14.881 9.340 ( 2.733 0.344 2.006) 3.408 9.457 ( -0.703 1.693 -2.798) 3.345 9.680 ( 1.350 -5.649 -0.735) 5.854 9.938 ( 3.747 -7.609 -2.255) 8.776 10.041 ( -6.525 3.155 3.912) 8.236 10.270 ( 0.685 5.756 1.003) 5.882 10.520 ( -4.989 2.004 4.714) 7.151 10.743 ( -6.762 6.778 -3.837) 10.315 11.165 ( 6.492 -2.617 0.710) 7.036 11.269 ( 4.884 -4.115 0.055) 6.387 11.599 ( 4.994 -1.173 -1.243) 5.279 11.617 ( 4.341 -0.411 -2.816) 5.191 13.171 ( -8.206 -6.055 -0.741) 10.225 13.200 ( -4.593 -4.158 -0.327) 6.204 13.301 ( 0.096 2.383 0.514) 2.440 13.377 ( 2.977 -0.002 -0.240) 2.987 13.651 ( -4.172 0.611 -0.415) 4.237 13.669 ( -6.981 1.470 0.426) 7.147 13.846 ( 2.519 0.108 0.899) 2.677 13.998 ( 4.166 1.380 0.305) 4.399 14.217 ( 7.650 8.943 -1.001) 11.811 14.320 ( 1.469 6.554 -0.053) 6.717 14.705 ( -4.366 13.543 4.071) 14.800 15.051 ( -4.389 10.195 -6.771) 13.002 15.399 ( 2.365 5.503 0.514) 6.012 15.565 ( -3.594 13.254 -7.779) 15.783 15.656 ( 2.745 -1.055 0.308) 2.957 15.731 ( 3.663 0.697 -0.124) 3.731 16.563 ( -0.487 2.461 -1.535) 2.941 16.668 ( 1.642 -0.594 -0.972) 1.998 16.733 ( 1.953 0.430 1.475) 2.485 16.796 ( 8.353 0.563 -2.616) 8.771 19.363 ( -5.429 -7.063 -0.857) 8.949 19.553 ( -0.107 -5.329 -1.341) 5.496 20.077 ( -2.309 4.994 2.685) 6.122 20.459 ( 1.851 8.434 -7.655) 11.539 21.202 ( -3.640 -3.685 7.509) 9.122 21.637 ( 1.218 -2.071 -4.525) 5.123 23.114 ( -1.224 -3.743 4.844) 6.243 23.541 ( 2.651 -0.976 -2.970) 4.099 26.734 ( -1.574 -0.354 0.063) 1.615 26.788 ( 1.235 0.660 0.017) 1.400 29.148 ( -10.324 8.035 -0.366) 13.087 29.558 ( 13.171 2.168 3.682) 13.847 29.603 ( -1.239 11.722 1.315) 11.861 30.391 ( 16.821 19.368 -34.137) 42.701 30.746 ( -3.018 2.201 0.784) 3.817 30.840 ( 0.108 1.997 -1.018) 2.244 31.147 ( -5.271 1.724 2.029) 5.905 31.402 ( -4.668 10.644 -4.438) 12.442 32.221 ( 0.762 -0.360 0.033) 0.843 32.262 ( 1.654 2.109 -0.264) 2.693 32.550 ( 3.739 0.015 0.836) 3.832 32.796 ( 9.191 3.479 -11.060) 14.796 33.570 ( -1.723 0.379 7.837) 8.033 34.078 ( -0.014 -2.951 -6.431) 7.076 35.624 ( 1.827 -0.133 4.893) 5.225 35.861 ( -0.662 1.463 -4.486) 4.765 36.196 ( 1.681 -0.077 4.562) 4.863 36.230 ( 1.195 -0.729 4.109) 4.340 36.450 ( 3.205 5.771 -8.585) 10.830 36.769 ( 1.989 -0.617 -5.011) 5.426 37.946 ( -17.687 -25.309 37.970) 48.940 38.968 ( -3.121 -14.202 -4.644) 15.265 ======================= Grid point 96 (43/93) ======================= q-point: ( 0.38 -0.62 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( 3.845 0.000 -1.390) 4.088 1.117 ( -1.480 -0.000 -0.761) 1.664 1.746 ( 10.389 0.000 0.481) 10.400 2.195 ( -7.180 -0.000 -2.613) 7.641 2.288 ( 5.932 0.000 3.063) 6.676 2.329 ( 6.534 0.000 -2.686) 7.064 2.603 ( -13.623 -0.000 -7.738) 15.667 2.869 ( 8.907 0.000 -3.325) 9.508 2.939 ( 4.116 0.000 0.396) 4.135 3.125 ( -4.765 -0.000 -0.802) 4.832 3.186 ( -15.198 -0.000 16.383) 22.346 3.278 ( -6.454 -0.000 -4.589) 7.919 3.300 ( 12.386 0.000 11.335) 16.790 3.417 ( 4.501 0.000 -0.942) 4.599 3.604 ( -1.937 -0.000 -7.591) 7.834 3.844 ( -0.596 -0.000 4.262) 4.303 4.001 ( 4.744 0.000 -1.116) 4.874 4.047 ( -0.858 -0.000 1.233) 1.503 4.283 ( 7.121 0.000 -1.568) 7.291 4.311 ( -5.658 -0.000 -8.127) 9.903 4.439 ( -2.162 -0.000 1.943) 2.907 4.659 ( 1.117 0.000 1.036) 1.523 4.697 ( -5.117 -0.000 10.476) 11.659 4.813 ( 0.485 0.000 4.320) 4.347 4.858 ( 3.781 0.000 2.179) 4.364 5.146 ( -0.443 -0.000 5.129) 5.148 5.202 ( -3.134 -0.000 -0.764) 3.226 5.342 ( -5.726 -0.000 -2.844) 6.394 5.354 ( 7.181 0.000 -1.515) 7.339 5.470 ( 2.928 0.000 -4.316) 5.216 5.844 ( 5.702 0.000 -1.165) 5.820 5.890 ( 7.782 0.000 0.705) 7.814 6.220 ( -6.176 -0.000 3.614) 7.156 6.326 ( 1.251 0.000 -6.307) 6.430 6.519 ( 6.609 0.000 0.651) 6.641 7.106 ( 8.310 0.000 -0.066) 8.310 7.303 ( 0.726 0.000 2.910) 3.000 7.320 ( -5.806 -0.000 -0.804) 5.862 7.426 ( -1.675 -0.000 -5.384) 5.638 7.531 ( -1.638 -0.000 -1.873) 2.488 8.864 ( -1.577 -0.000 -4.666) 4.926 8.996 ( 3.797 0.000 2.034) 4.308 9.135 ( 0.281 0.000 -9.273) 9.277 9.177 ( -6.334 -0.000 6.894) 9.362 9.323 ( -11.627 -0.000 2.533) 11.900 9.504 ( -0.289 -0.000 -0.507) 0.583 9.573 ( -8.721 -0.000 1.393) 8.831 9.699 ( -7.765 -0.000 0.098) 7.766 10.253 ( 7.640 0.000 1.894) 7.871 10.381 ( 9.108 0.000 0.842) 9.147 10.529 ( 2.678 0.000 2.658) 3.773 10.627 ( 3.410 0.000 -3.597) 4.957 11.276 ( -11.347 -0.000 1.610) 11.461 11.359 ( -8.935 -0.000 -1.824) 9.120 11.623 ( -5.988 -0.000 -3.218) 6.798 11.780 ( -7.154 -0.000 1.157) 7.247 12.778 ( 10.778 0.000 -2.334) 11.028 12.869 ( 9.093 0.000 2.227) 9.361 13.288 ( 3.796 0.000 -0.223) 3.803 13.417 ( 4.580 0.000 0.517) 4.609 13.625 ( -1.820 -0.000 0.894) 2.028 13.684 ( -0.077 -0.000 -0.953) 0.956 13.963 ( 1.524 0.000 0.391) 1.573 14.053 ( -0.678 -0.000 -0.352) 0.764 14.522 ( -0.040 -0.000 -1.962) 1.962 14.523 ( 4.777 0.000 2.325) 5.313 14.980 ( -1.240 -0.000 1.414) 1.881 15.107 ( 5.103 0.000 0.105) 5.104 15.615 ( -3.687 -0.000 2.812) 4.637 15.625 ( 2.203 0.000 -3.086) 3.792 15.812 ( 0.835 0.000 2.245) 2.396 15.899 ( 6.611 0.000 -2.926) 7.230 16.642 ( -2.641 -0.000 -0.913) 2.795 16.657 ( 0.869 0.000 0.509) 1.007 16.748 ( 0.740 0.000 1.478) 1.653 16.804 ( -3.719 -0.000 -2.112) 4.277 19.210 ( -1.584 -0.000 3.455) 3.801 19.299 ( 1.892 0.000 -5.160) 5.496 20.229 ( 1.945 0.000 2.292) 3.006 20.656 ( 6.091 0.000 -3.259) 6.908 21.148 ( -4.764 -0.000 5.564) 7.325 21.595 ( 0.294 0.000 -4.549) 4.559 23.188 ( -8.557 -0.000 9.619) 12.874 23.377 ( 1.484 0.000 -6.682) 6.844 26.753 ( 0.959 0.000 -0.559) 1.110 26.770 ( -0.416 -0.000 0.581) 0.714 29.417 ( 2.867 0.000 -0.543) 2.918 29.567 ( -8.326 -0.000 3.520) 9.039 29.905 ( -7.330 -0.000 -0.593) 7.354 30.645 ( 19.312 0.000 -1.385) 19.361 30.866 ( 0.292 0.000 -0.803) 0.854 30.876 ( 1.256 0.000 -0.036) 1.256 31.525 ( -2.422 -0.000 8.966) 9.288 31.703 ( 17.206 0.000 -7.600) 18.810 32.189 ( -0.373 -0.000 3.574) 3.593 32.351 ( -0.762 -0.000 -0.615) 0.979 32.647 ( -7.899 -0.000 -10.348) 13.018 32.783 ( 2.016 0.000 4.529) 4.957 33.601 ( -3.911 -0.000 3.357) 5.154 33.981 ( 2.259 0.000 -3.627) 4.273 35.515 ( 0.742 0.000 -0.402) 0.844 35.795 ( -2.544 -0.000 -3.567) 4.381 35.941 ( 2.530 0.000 -2.260) 3.392 36.272 ( -4.170 -0.000 7.816) 8.859 36.731 ( 0.182 0.000 -0.220) 0.285 36.739 ( 1.155 0.000 -4.757) 4.896 37.758 ( -6.191 -0.000 15.704) 16.881 38.287 ( 2.614 0.000 -11.448) 11.743 ======================= Grid point 98 (44/93) ======================= q-point: (-0.50 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( -1.849 1.582 0.084) 2.434 1.117 ( 2.990 1.267 -1.082) 3.423 1.875 ( 8.923 6.308 -9.410) 14.421 2.099 ( -1.989 4.279 0.186) 4.722 2.155 ( -0.039 16.584 -7.238) 18.095 2.445 ( 0.429 -0.905 1.766) 2.030 2.607 ( 6.222 -14.767 6.100) 17.146 2.836 ( -14.459 1.060 -2.413) 14.697 2.883 ( -6.849 11.261 10.179) 16.653 3.034 ( 4.847 -0.903 -1.664) 5.204 3.196 ( -1.402 -5.153 8.725) 10.230 3.208 ( 0.542 -0.194 -0.799) 0.985 3.451 ( 2.080 8.955 -3.163) 9.722 3.521 ( 5.763 5.331 -0.866) 7.898 3.602 ( 7.434 -7.093 -0.705) 10.299 3.896 ( -2.494 -4.593 4.377) 6.817 4.045 ( 3.815 1.375 -1.587) 4.354 4.093 ( -1.050 -7.979 2.098) 8.316 4.212 ( -1.920 -2.202 0.198) 2.928 4.357 ( 1.866 1.420 -0.244) 2.357 4.405 ( 0.566 3.969 0.620) 4.057 4.641 ( -4.597 -1.128 5.224) 7.049 4.697 ( -2.655 -0.927 6.927) 7.476 4.855 ( -1.605 -1.824 1.821) 3.036 4.882 ( -2.181 -0.971 -1.505) 2.822 5.070 ( -2.485 0.840 -2.934) 3.936 5.162 ( -3.182 -3.881 -0.935) 5.105 5.296 ( 1.060 0.151 -1.168) 1.584 5.471 ( 2.675 -4.297 2.655) 5.715 5.519 ( 5.415 0.759 -1.720) 5.732 5.856 ( 2.561 6.452 -0.450) 6.957 5.957 ( -1.889 3.640 -0.502) 4.132 6.204 ( 2.707 -6.453 0.593) 7.022 6.340 ( 1.200 -3.166 -5.248) 6.245 6.621 ( 4.089 -0.433 3.187) 5.203 7.178 ( -3.330 0.438 -1.584) 3.714 7.223 ( 3.266 -1.400 -4.791) 5.965 7.346 ( -0.639 2.166 -2.370) 3.274 7.405 ( 4.410 0.522 -0.888) 4.529 7.537 ( 2.521 -0.317 0.894) 2.694 8.814 ( 0.470 1.609 -3.390) 3.782 8.961 ( -4.446 4.118 -2.613) 6.600 9.098 ( -1.697 1.287 1.451) 2.577 9.227 ( -1.420 -8.197 0.291) 8.324 9.237 ( 3.816 -2.115 3.721) 5.734 9.392 ( -14.265 2.348 1.393) 14.523 9.462 ( -5.281 -3.184 -1.436) 6.331 9.667 ( 2.044 -2.304 -1.578) 3.460 10.329 ( 1.400 6.658 4.100) 7.943 10.447 ( 1.665 -1.134 3.840) 4.337 10.579 ( 3.254 6.284 -1.061) 7.156 10.729 ( 7.887 -7.021 -2.397) 10.828 11.108 ( -10.355 -1.008 1.381) 10.495 11.216 ( -5.720 1.211 -2.332) 6.295 11.529 ( -3.331 -0.717 -2.686) 4.339 11.667 ( -6.627 -0.492 -0.798) 6.693 12.951 ( 9.399 -1.861 -1.160) 9.651 13.039 ( 7.088 -2.487 1.235) 7.613 13.363 ( 5.628 1.446 0.199) 5.815 13.512 ( 5.985 -0.848 -0.316) 6.053 13.571 ( -2.035 2.647 0.633) 3.399 13.681 ( -2.266 -2.929 -0.430) 3.728 13.987 ( 2.220 3.657 0.301) 4.288 14.032 ( -0.204 -0.617 -0.236) 0.692 14.438 ( -5.834 2.906 -1.666) 6.727 14.586 ( -0.360 1.999 2.527) 3.242 14.940 ( -0.237 1.972 0.626) 2.082 15.171 ( 2.631 0.274 0.382) 2.673 15.567 ( -3.304 0.028 1.619) 3.679 15.647 ( 2.116 0.518 -2.469) 3.293 15.808 ( -0.827 3.712 2.959) 4.818 15.991 ( 6.861 1.043 -2.677) 7.438 16.591 ( -1.864 1.293 -0.714) 2.378 16.673 ( -0.485 -0.437 -0.196) 0.682 16.748 ( -1.531 -0.469 -0.413) 1.654 16.767 ( 1.029 0.989 0.559) 1.532 19.208 ( -2.047 -2.271 2.207) 3.771 19.322 ( 3.195 -2.172 -4.859) 6.208 20.257 ( 0.785 2.300 3.237) 4.048 20.711 ( 4.574 1.697 -5.207) 7.135 21.115 ( -4.040 -1.020 5.429) 6.844 21.580 ( 1.423 -0.714 -5.766) 5.982 23.101 ( -9.518 -1.422 8.345) 12.738 23.383 ( 2.644 -1.805 -5.244) 6.144 26.755 ( 0.893 1.103 0.089) 1.422 26.776 ( -0.403 -0.905 0.017) 0.991 29.399 ( 1.222 5.401 1.234) 5.673 29.502 ( -6.726 -4.174 1.932) 8.148 29.827 ( -1.971 2.230 2.331) 3.780 30.840 ( 4.185 1.854 -0.370) 4.592 30.868 ( -0.001 0.142 -0.227) 0.268 30.937 ( 9.540 -2.014 -9.348) 13.507 31.469 ( -6.888 3.537 4.486) 8.948 31.880 ( 13.317 3.874 -10.948) 17.669 32.241 ( 1.897 -0.510 5.733) 6.060 32.330 ( -0.232 1.085 -1.107) 1.567 32.445 ( -8.046 1.204 -4.979) 9.538 32.821 ( -1.477 -2.817 -0.839) 3.290 33.564 ( -2.548 0.225 3.449) 4.294 33.999 ( 1.671 -1.436 -3.784) 4.379 35.542 ( 1.431 -0.003 2.235) 2.654 35.789 ( 1.607 0.193 6.390) 6.592 35.959 ( 2.080 0.197 -3.560) 4.128 36.250 ( -3.905 0.267 6.797) 7.843 36.710 ( -0.686 1.312 -0.684) 1.631 36.732 ( 0.448 -0.847 -4.593) 4.692 37.706 ( -6.157 6.708 11.780) 14.889 38.346 ( 4.975 -10.242 -8.190) 14.026 ======================= Grid point 99 (45/93) ======================= q-point: (-0.38 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.043 ( 0.617 3.229 1.699) 3.700 1.116 ( 1.289 3.524 -0.980) 3.878 1.736 ( -3.343 20.740 -10.908) 23.671 1.866 ( 3.697 21.664 8.575) 23.591 2.186 ( 5.339 -2.422 -16.251) 17.276 2.496 ( 2.404 -1.460 2.196) 3.569 2.594 ( -2.836 13.227 11.252) 17.596 2.736 ( -7.209 0.530 6.897) 9.991 2.930 ( 2.683 -16.409 0.038) 16.627 3.104 ( 1.671 -2.459 -0.102) 2.975 3.148 ( -3.868 1.343 1.320) 4.302 3.312 ( -2.093 4.169 -0.699) 4.717 3.363 ( 7.957 6.997 2.567) 10.902 3.486 ( 3.700 12.033 2.003) 12.747 3.747 ( -0.341 -9.600 -2.991) 10.061 3.886 ( -7.102 -6.977 2.864) 10.360 4.051 ( -1.474 1.887 0.678) 2.489 4.108 ( 0.217 2.003 -2.641) 3.322 4.275 ( -1.507 -4.008 3.847) 5.757 4.336 ( -1.500 1.317 5.220) 5.589 4.437 ( 0.363 -2.339 1.221) 2.663 4.610 ( -3.606 -1.869 4.677) 6.194 4.709 ( -0.727 -1.425 4.026) 4.332 4.794 ( -0.313 -2.234 -6.092) 6.496 4.925 ( -0.726 -8.372 2.476) 8.761 5.060 ( -0.000 -2.507 -2.127) 3.288 5.180 ( -0.019 -4.065 -0.075) 4.066 5.314 ( 2.238 0.639 -0.790) 2.458 5.526 ( -0.206 0.349 0.893) 0.981 5.597 ( 4.895 0.039 -0.636) 4.936 5.820 ( -1.458 3.672 0.078) 3.951 5.845 ( -2.037 4.107 -1.879) 4.954 6.291 ( -5.505 -7.929 -3.235) 10.180 6.402 ( 7.235 -4.138 -1.365) 8.446 6.706 ( 2.188 -1.638 5.935) 6.534 7.087 ( -3.073 0.996 -5.336) 6.237 7.202 ( -1.987 2.869 -6.465) 7.347 7.357 ( 5.213 -4.265 -5.233) 8.529 7.471 ( 2.371 2.017 4.766) 5.692 7.577 ( -0.461 -0.215 1.275) 1.373 8.812 ( -1.784 0.805 -1.603) 2.530 8.839 ( 1.420 2.136 -3.322) 4.197 9.123 ( -8.738 2.310 0.244) 9.042 9.160 ( 5.680 2.278 2.048) 6.453 9.256 ( 0.808 -2.543 1.677) 3.151 9.404 ( -2.092 -7.084 -1.041) 7.459 9.444 ( 2.552 -6.781 1.906) 7.492 9.720 ( 2.450 -2.893 -2.976) 4.820 10.258 ( -3.043 7.292 4.759) 9.224 10.512 ( 2.339 9.056 -0.725) 9.382 10.519 ( -2.088 -1.668 4.538) 5.266 10.889 ( 2.887 -5.178 -3.025) 6.655 11.017 ( -2.451 -2.794 1.407) 3.974 11.144 ( 0.704 1.553 -1.723) 2.424 11.511 ( 2.142 -0.532 -1.474) 2.654 11.591 ( -1.841 -1.235 -3.213) 3.904 13.070 ( 2.119 -3.312 0.596) 3.976 13.117 ( -2.324 -4.161 -0.518) 4.794 13.405 ( 1.029 3.644 0.773) 3.864 13.481 ( -1.181 4.134 -0.877) 4.388 13.644 ( -3.512 -3.735 -0.134) 5.128 13.664 ( 3.328 -3.909 -0.111) 5.135 13.996 ( 4.698 3.543 0.166) 5.886 13.999 ( -5.398 3.081 -0.027) 6.215 14.358 ( 4.771 6.278 1.733) 8.074 14.492 ( -4.797 4.377 -1.780) 6.733 14.960 ( 1.969 2.670 3.267) 4.656 15.178 ( -2.132 -0.658 -1.517) 2.698 15.540 ( -0.964 -0.346 1.042) 1.461 15.640 ( 1.303 4.441 -0.995) 4.734 15.762 ( -1.052 4.094 2.101) 4.721 16.018 ( 0.879 4.606 -4.116) 6.239 16.574 ( 2.067 0.648 0.552) 2.236 16.645 ( -1.361 0.106 -1.908) 2.346 16.753 ( 0.241 0.964 0.740) 1.240 16.767 ( 1.332 1.449 0.641) 2.070 19.218 ( -2.870 -5.250 0.676) 6.022 19.378 ( 3.176 -3.760 -3.759) 6.193 20.247 ( -0.723 4.280 3.897) 5.834 20.692 ( 1.456 4.003 -7.283) 8.437 21.111 ( -2.671 -2.124 5.657) 6.607 21.582 ( 1.937 -1.634 -6.383) 6.868 23.034 ( -6.591 -2.607 6.391) 9.544 23.431 ( 3.853 -2.647 -3.468) 5.821 26.761 ( -0.518 0.100 0.230) 0.576 26.774 ( 0.609 0.213 -0.075) 0.649 29.404 ( -0.466 0.612 1.302) 1.512 29.455 ( 0.257 1.194 2.015) 2.356 29.800 ( 0.600 5.777 4.996) 7.661 30.836 ( -2.360 1.581 -1.235) 3.098 30.861 ( 0.944 1.235 -1.144) 1.930 30.935 ( -0.380 2.132 -18.728) 18.853 31.333 ( -6.097 4.975 3.373) 8.562 31.869 ( 2.336 9.148 -13.377) 16.374 32.214 ( -4.394 0.528 2.132) 4.912 32.316 ( 0.389 1.555 -1.091) 1.939 32.455 ( 7.754 0.537 4.570) 9.016 32.791 ( -1.545 -3.614 -7.522) 8.487 33.566 ( -0.462 0.692 5.305) 5.369 34.012 ( 0.803 -2.446 -4.590) 5.262 35.578 ( 0.862 0.115 3.973) 4.067 35.906 ( 3.879 1.321 6.330) 7.541 35.983 ( 4.538 -1.424 3.029) 5.639 36.229 ( -3.438 0.152 6.131) 7.031 36.661 ( -1.323 2.773 -3.942) 4.998 36.730 ( 1.794 -1.148 -4.523) 4.999 37.616 ( -7.900 2.954 14.880) 17.104 38.507 ( 4.061 -14.645 -6.521) 16.538 ======================= Grid point 100 (46/93) ======================= q-point: (-0.25 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( 2.333 2.899 1.152) 3.895 1.093 ( 1.227 4.780 0.803) 5.000 1.451 ( 4.571 19.794 -2.802) 20.507 1.818 ( 7.167 16.437 8.870) 20.005 2.137 ( 1.098 1.206 -15.973) 16.056 2.492 ( -1.706 3.157 -0.818) 3.680 2.556 ( 3.842 14.452 10.377) 18.201 2.744 ( 2.638 -4.874 2.550) 6.101 2.961 ( -8.445 9.331 -1.886) 12.726 3.034 ( -0.362 2.785 2.447) 3.725 3.160 ( 1.085 -6.429 1.041) 6.603 3.322 ( -0.267 -6.395 0.002) 6.400 3.454 ( 6.709 -1.124 4.614) 8.220 3.498 ( 6.973 9.077 1.941) 11.610 3.738 ( -6.780 -4.561 2.860) 8.658 3.891 ( -1.666 -0.218 1.726) 2.409 3.994 ( -4.183 0.745 1.829) 4.626 4.073 ( 1.099 -4.201 -8.490) 9.536 4.268 ( -8.280 -2.559 3.726) 9.433 4.359 ( 0.556 -4.137 -2.917) 5.093 4.381 ( -1.605 0.150 2.163) 2.698 4.686 ( 0.247 -6.056 6.007) 8.533 4.689 ( -4.539 0.293 0.685) 4.600 4.880 ( 4.200 -3.814 1.370) 5.836 4.968 ( -5.909 -5.523 1.538) 8.234 5.094 ( 0.983 -3.240 0.991) 3.528 5.196 ( -1.702 -3.595 -3.242) 5.131 5.356 ( 4.134 1.822 -0.001) 4.517 5.472 ( -1.219 5.015 -1.177) 5.294 5.656 ( 0.420 -1.844 2.887) 3.452 5.730 ( -3.790 0.663 -3.528) 5.220 5.810 ( 0.572 2.605 -1.997) 3.332 6.232 ( -6.258 -5.260 -1.642) 8.339 6.527 ( 1.387 -5.418 -1.398) 5.765 6.798 ( 0.172 -2.816 7.286) 7.813 6.960 ( -3.304 5.478 -7.711) 10.019 7.136 ( -1.276 -0.728 -3.017) 3.356 7.437 ( -3.466 1.031 3.486) 5.022 7.486 ( 3.367 -2.006 -2.624) 4.716 7.551 ( -0.734 -1.909 -0.836) 2.210 8.747 ( -0.099 -0.629 -2.755) 2.827 8.917 ( 7.457 -0.091 -1.684) 7.645 8.995 ( -3.982 -1.675 0.591) 4.361 9.300 ( 0.839 -3.746 1.982) 4.320 9.340 ( 12.715 3.231 0.964) 13.154 9.458 ( 2.886 -2.806 -2.092) 4.536 9.552 ( 2.834 -5.745 0.991) 6.482 9.774 ( 0.002 -6.966 -0.958) 7.031 10.162 ( -2.887 7.406 3.038) 8.510 10.403 ( -2.370 7.398 0.357) 7.776 10.532 ( -3.928 -0.725 4.398) 5.941 10.838 ( -6.282 0.842 -2.827) 6.940 11.117 ( 7.755 -2.066 -0.042) 8.026 11.199 ( 6.459 -1.345 -0.238) 6.601 11.576 ( 5.014 -0.842 -1.754) 5.378 11.609 ( 5.682 -0.741 -2.647) 6.311 13.048 ( -10.387 -5.562 -1.179) 11.841 13.096 ( -4.928 -5.068 0.887) 7.124 13.344 ( -2.053 2.215 0.765) 3.115 13.436 ( 0.264 4.231 -0.868) 4.327 13.573 ( -7.229 -3.411 0.060) 7.994 13.747 ( 0.192 -0.429 0.436) 0.641 13.878 ( -0.362 4.135 -0.156) 4.153 14.034 ( 1.292 1.723 0.278) 2.171 14.386 ( 3.407 6.742 -1.971) 7.807 14.445 ( 6.497 6.333 2.091) 9.311 14.915 ( -6.031 6.950 3.467) 9.833 15.117 ( -2.618 -0.195 -2.132) 3.381 15.541 ( 1.028 4.210 0.811) 4.410 15.601 ( 0.717 2.255 0.102) 2.369 15.741 ( 0.699 1.217 -0.672) 1.556 15.873 ( -3.565 11.022 -3.789) 12.189 16.608 ( 0.346 1.665 -1.583) 2.323 16.646 ( 3.265 -1.370 0.054) 3.542 16.742 ( 0.209 0.778 0.816) 1.147 16.807 ( 4.305 0.343 -0.212) 4.324 19.223 ( -3.660 -6.159 -0.916) 7.223 19.444 ( 1.485 -4.895 -2.038) 5.507 20.193 ( -2.427 5.934 3.729) 7.417 20.600 ( -0.253 5.370 -7.581) 9.294 21.138 ( -1.670 -2.558 6.060) 6.786 21.593 ( 1.892 -2.003 -5.655) 6.290 23.035 ( -1.464 -3.740 4.168) 5.788 23.507 ( 4.203 -2.210 -1.847) 5.095 26.736 ( -1.625 0.529 0.100) 1.712 26.793 ( 1.244 -0.155 0.034) 1.254 29.298 ( -7.446 6.481 0.967) 9.919 29.568 ( 9.372 -0.597 2.407) 9.694 29.802 ( 3.991 7.713 6.237) 10.692 30.613 ( -6.273 4.706 -21.821) 23.187 30.818 ( -0.533 3.708 -2.360) 4.428 30.872 ( 0.804 0.984 -1.282) 1.805 31.214 ( -5.667 4.693 1.597) 7.529 31.658 ( -4.354 12.816 -7.328) 15.392 32.200 ( -0.249 -1.470 1.041) 1.818 32.307 ( 1.205 1.991 -0.254) 2.341 32.565 ( 3.526 1.538 1.068) 3.992 32.818 ( 8.295 -1.651 -7.766) 11.482 33.585 ( -1.004 0.945 6.261) 6.411 34.017 ( 0.370 -2.807 -5.486) 6.173 35.623 ( 1.407 0.099 5.336) 5.519 35.897 ( -0.141 1.987 -4.779) 5.178 36.177 ( 5.906 -1.712 10.926) 12.538 36.217 ( -2.262 -0.455 5.610) 6.066 36.566 ( 0.416 5.076 -9.816) 11.059 36.749 ( 2.163 -1.268 -4.167) 4.863 37.611 ( -10.797 -8.268 23.163) 26.860 38.663 ( 0.993 -14.687 -5.866) 15.846 ======================= Grid point 101 (47/93) ======================= q-point: (-0.12 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( -0.342 3.300 -3.371) 4.729 1.067 ( 0.885 3.828 0.130) 3.931 1.492 ( 15.416 10.825 2.335) 18.981 1.884 ( 1.180 -3.744 -8.821) 9.655 2.040 ( 10.086 11.880 6.872) 17.032 2.469 ( 5.458 6.055 -4.382) 9.255 2.535 ( 1.617 9.319 9.243) 13.224 2.698 ( -6.592 3.680 -3.965) 8.527 2.910 ( 0.533 -3.548 1.573) 3.918 3.054 ( 8.035 4.358 3.187) 9.681 3.211 ( -1.166 -4.098 1.472) 4.508 3.306 ( -1.391 3.238 -4.643) 5.829 3.563 ( 4.846 -0.896 1.065) 5.042 3.605 ( 2.325 -5.729 2.791) 6.784 3.726 ( -3.157 -0.066 7.410) 8.055 3.839 ( -3.523 2.908 4.951) 6.736 3.943 ( -3.322 -3.213 2.708) 5.357 4.072 ( -4.366 -4.066 -7.798) 9.819 4.191 ( -2.678 -6.703 -4.498) 8.505 4.383 ( 1.206 -3.296 -0.384) 3.530 4.489 ( 7.852 0.809 2.124) 8.175 4.582 ( -4.206 4.285 -1.431) 6.173 4.742 ( -3.941 -3.407 5.556) 7.616 4.899 ( -6.474 -1.573 4.828) 8.228 4.945 ( -1.466 -2.996 -0.791) 3.428 5.102 ( -4.954 -0.347 3.158) 5.885 5.158 ( -2.569 -1.025 -6.681) 7.231 5.342 ( -2.172 1.733 1.148) 3.007 5.473 ( 4.388 1.976 -2.256) 5.315 5.604 ( -7.598 -0.411 -4.052) 8.621 5.687 ( -3.340 -4.077 3.702) 6.440 5.793 ( 3.923 4.948 -2.165) 6.675 6.215 ( -2.826 -6.726 0.220) 7.299 6.506 ( -7.267 -1.467 -1.980) 7.674 6.740 ( -7.501 2.836 -1.115) 8.096 6.913 ( -1.815 -1.112 2.632) 3.386 7.033 ( -4.217 5.259 -0.513) 6.761 7.433 ( 1.103 -4.586 0.505) 4.743 7.481 ( -0.392 -0.978 -0.151) 1.065 7.680 ( 8.331 -5.216 -2.539) 10.152 8.773 ( 2.419 -1.423 -2.467) 3.737 8.978 ( -2.846 -2.618 -0.721) 3.934 9.052 ( 8.252 -2.984 -0.686) 8.802 9.404 ( -2.357 1.380 -2.227) 3.524 9.411 ( 7.140 -4.279 1.425) 8.445 9.540 ( 11.519 1.444 -0.278) 11.613 9.686 ( 3.867 -2.452 -1.145) 4.720 9.873 ( 2.236 -9.609 2.803) 10.256 10.048 ( -3.516 7.115 1.315) 8.044 10.300 ( -4.368 3.481 0.570) 5.614 10.438 ( -10.365 2.513 2.888) 11.049 10.698 ( -3.032 5.664 -3.301) 7.223 11.279 ( 9.206 -1.916 0.792) 9.436 11.334 ( 7.393 -1.836 0.322) 7.624 11.653 ( 4.228 -1.041 -1.410) 4.577 11.722 ( 8.207 0.376 -0.837) 8.258 12.899 ( -15.302 -6.947 -0.617) 16.817 13.084 ( -2.427 -6.127 -0.082) 6.591 13.359 ( 2.779 1.209 1.210) 3.264 13.417 ( 3.536 -2.434 -0.495) 4.321 13.496 ( -6.331 -2.952 0.156) 6.987 13.709 ( 0.807 5.224 -0.306) 5.295 13.887 ( 0.937 0.717 0.705) 1.375 14.008 ( -0.411 1.631 -0.883) 1.899 14.368 ( -2.124 7.860 -0.942) 8.196 14.412 ( -1.194 8.021 2.566) 8.506 14.689 ( -10.395 6.890 -0.107) 12.472 15.112 ( 4.815 4.059 -0.167) 6.300 15.515 ( 3.387 5.819 0.280) 6.739 15.606 ( 0.659 5.092 -2.333) 5.640 15.689 ( 0.676 2.108 -0.270) 2.230 15.785 ( 0.842 1.370 0.774) 1.785 16.592 ( 1.972 2.520 -1.508) 3.538 16.692 ( 2.144 0.448 -0.545) 2.257 16.755 ( -0.169 -1.117 1.207) 1.653 16.885 ( 5.110 -0.893 -2.327) 5.686 19.216 ( -3.259 -5.172 -1.455) 6.284 19.483 ( -1.439 -3.980 -1.084) 4.368 20.109 ( -2.372 5.523 2.568) 6.537 20.514 ( 1.135 4.581 -4.597) 6.588 21.177 ( -1.462 -2.107 6.367) 6.864 21.615 ( 2.097 -1.947 -4.188) 5.072 23.097 ( 0.573 -4.028 3.393) 5.298 23.570 ( 3.000 -0.077 -1.502) 3.356 26.709 ( -1.293 0.058 0.022) 1.294 26.811 ( 0.876 0.245 0.001) 0.909 29.094 ( -6.610 8.130 -0.105) 10.478 29.679 ( 3.883 7.038 -0.391) 8.048 29.897 ( 11.379 3.243 11.025) 16.172 30.494 ( 5.489 -5.216 -14.510) 16.367 30.746 ( 0.372 5.848 -4.026) 7.109 30.860 ( 0.752 2.279 -1.763) 2.978 31.077 ( -6.517 2.733 0.775) 7.109 31.423 ( -4.858 12.830 -1.445) 13.795 32.226 ( 0.635 -1.189 0.711) 1.524 32.308 ( 1.318 1.820 0.144) 2.252 32.589 ( 1.705 -0.376 -1.551) 2.335 32.933 ( 11.059 2.712 -8.283) 14.081 33.592 ( -2.179 0.516 7.602) 7.925 34.013 ( 0.397 -2.249 -5.968) 6.390 35.687 ( 2.191 -0.255 5.283) 5.725 35.824 ( -1.927 1.930 -6.199) 6.772 36.209 ( -2.104 0.165 5.216) 5.626 36.270 ( -0.465 2.784 0.932) 2.973 36.507 ( 5.366 1.817 -8.465) 10.186 36.767 ( 2.232 -0.498 -4.541) 5.084 37.690 ( -14.817 -14.928 26.353) 33.717 38.742 ( -3.054 -10.975 -6.204) 12.972 ======================= Grid point 106 (48/93) ======================= q-point: (-0.50 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.076 ( 0.949 -0.000 0.137) 0.958 1.149 ( 1.070 -0.000 -1.262) 1.654 2.021 ( 10.674 -0.000 -15.834) 19.096 2.100 ( -5.310 0.000 -14.175) 15.137 2.169 ( 4.602 -0.000 5.614) 7.260 2.510 ( 3.814 0.000 4.127) 5.620 2.529 ( -17.296 -0.000 2.909) 17.539 2.711 ( 9.261 -0.000 5.532) 10.787 2.916 ( -9.171 -0.000 13.927) 16.675 3.067 ( -0.959 -0.000 -0.093) 0.964 3.117 ( 1.748 -0.000 1.910) 2.589 3.300 ( 2.121 -0.000 6.995) 7.309 3.558 ( 7.799 -0.000 -9.277) 12.119 3.579 ( -2.868 0.000 -0.568) 2.923 3.711 ( 11.103 -0.000 -3.946) 11.784 3.793 ( -11.211 0.000 2.750) 11.543 3.984 ( -7.700 -0.000 4.617) 8.978 4.093 ( 0.431 -0.000 -0.555) 0.703 4.228 ( 4.306 -0.000 6.060) 7.434 4.388 ( 0.296 -0.000 1.541) 1.569 4.510 ( 2.443 -0.000 4.018) 4.702 4.547 ( -9.444 -0.000 4.981) 10.677 4.686 ( -2.864 -0.000 4.907) 5.682 4.767 ( -0.417 -0.000 -7.715) 7.727 4.805 ( -1.741 -0.000 -2.648) 3.169 5.037 ( 0.414 -0.000 -3.910) 3.932 5.140 ( -0.189 -0.000 2.686) 2.693 5.321 ( 2.764 -0.000 0.432) 2.797 5.501 ( 1.192 -0.000 3.051) 3.276 5.608 ( 5.232 -0.000 -0.937) 5.316 5.856 ( -3.639 -0.000 1.508) 3.939 5.965 ( -2.839 0.000 -4.459) 5.286 6.146 ( -0.607 -0.000 0.104) 0.616 6.370 ( 5.052 -0.000 -3.848) 6.351 6.681 ( 0.684 -0.000 6.609) 6.645 7.093 ( -2.200 -0.000 -3.302) 3.967 7.243 ( -4.038 -0.000 -8.866) 9.742 7.313 ( 8.446 -0.000 -6.112) 10.426 7.503 ( 2.045 -0.000 3.244) 3.835 7.565 ( -0.950 -0.000 2.831) 2.987 8.831 ( 2.987 -0.000 -2.068) 3.633 8.870 ( -5.352 -0.000 -3.970) 6.664 9.157 ( -0.415 -0.000 3.807) 3.829 9.208 ( -9.253 -0.000 -1.885) 9.443 9.209 ( 6.657 0.000 -0.447) 6.672 9.315 ( -2.148 -0.000 -1.285) 2.503 9.349 ( 4.865 -0.000 5.917) 7.660 9.695 ( 2.278 -0.000 -3.028) 3.789 10.383 ( -4.112 -0.000 4.428) 6.043 10.444 ( -0.348 0.000 5.178) 5.190 10.677 ( 2.050 -0.000 -1.925) 2.812 10.767 ( 1.757 0.000 -2.019) 2.676 10.988 ( -1.990 -0.000 1.554) 2.525 11.170 ( 1.397 -0.000 -2.765) 3.097 11.507 ( 2.705 -0.000 -1.429) 3.059 11.576 ( -2.327 -0.000 -2.941) 3.750 13.035 ( 2.167 -0.000 0.596) 2.247 13.073 ( -2.357 -0.000 -0.334) 2.380 13.456 ( 1.167 -0.000 1.040) 1.563 13.552 ( -0.540 0.000 0.684) 0.872 13.578 ( -2.389 -0.000 -1.838) 3.014 13.609 ( 1.448 -0.000 -0.448) 1.515 14.028 ( -3.180 -0.000 0.015) 3.180 14.031 ( 2.639 -0.000 0.213) 2.648 14.428 ( 5.004 -0.000 1.431) 5.205 14.539 ( -5.270 -0.000 -1.518) 5.484 14.983 ( 2.303 -0.000 2.979) 3.765 15.171 ( -2.688 -0.000 -1.201) 2.944 15.533 ( -1.525 -0.000 1.104) 1.882 15.675 ( 2.875 -0.000 -2.960) 4.127 15.821 ( -2.837 -0.000 4.292) 5.144 16.063 ( 2.523 -0.000 -2.104) 3.285 16.588 ( 0.980 -0.000 -0.039) 0.981 16.644 ( -1.297 -0.000 -1.812) 2.229 16.758 ( 1.728 -0.000 1.530) 2.308 16.785 ( -0.149 -0.000 0.157) 0.217 19.162 ( -2.876 -0.000 0.753) 2.973 19.338 ( 3.286 -0.000 -3.945) 5.134 20.293 ( -0.539 -0.000 4.078) 4.114 20.734 ( 1.253 -0.000 -6.267) 6.391 21.089 ( -2.440 -0.000 5.173) 5.720 21.565 ( 1.972 -0.000 -6.588) 6.877 23.006 ( -6.620 -0.000 6.354) 9.176 23.402 ( 4.181 -0.000 -3.416) 5.400 26.762 ( -0.410 -0.000 0.263) 0.487 26.776 ( 0.476 -0.000 -0.071) 0.481 29.410 ( -1.806 -0.000 1.317) 2.235 29.464 ( 1.816 -0.000 1.781) 2.544 29.861 ( 0.727 -0.000 6.083) 6.126 30.853 ( -2.111 -0.000 -1.404) 2.535 30.873 ( 0.469 -0.000 -0.084) 0.476 30.953 ( 0.986 -0.000 -16.696) 16.725 31.391 ( -6.850 -0.000 3.700) 7.786 31.955 ( 3.286 -0.000 -12.601) 13.023 32.234 ( -6.724 -0.000 1.139) 6.820 32.331 ( 0.534 -0.000 -1.021) 1.152 32.468 ( 11.438 -0.000 4.780) 12.397 32.735 ( -4.546 -0.000 -4.288) 6.250 33.574 ( -0.094 -0.000 4.821) 4.822 33.986 ( 0.877 -0.000 -4.311) 4.399 35.580 ( 0.899 -0.000 4.080) 4.178 35.927 ( 6.337 -0.000 14.606) 15.921 35.961 ( 1.370 -0.000 -4.987) 5.172 36.231 ( -3.671 -0.000 6.112) 7.130 36.687 ( -1.534 -0.000 -1.627) 2.236 36.717 ( 1.697 -0.000 -5.013) 5.292 37.678 ( -9.064 -0.000 7.134) 11.535 38.334 ( 5.871 -0.000 -6.199) 8.537 ======================= Grid point 108 (49/93) ======================= q-point: (-0.38 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( 2.279 1.478 -0.176) 2.722 1.146 ( -0.031 0.865 -0.051) 0.867 1.832 ( 0.673 16.348 -10.373) 19.373 2.038 ( -8.782 -1.098 -10.061) 13.399 2.204 ( 9.016 10.086 5.458) 14.588 2.439 ( -2.116 -8.051 0.156) 8.326 2.636 ( 2.950 -4.156 6.077) 7.932 2.776 ( -3.240 7.346 1.758) 8.219 2.916 ( 3.241 -7.124 2.652) 8.264 3.065 ( -2.717 -0.687 1.336) 3.105 3.145 ( 1.214 3.203 1.183) 3.624 3.356 ( 0.126 5.500 5.385) 7.698 3.469 ( -6.972 2.813 2.996) 8.093 3.626 ( -3.559 -4.011 3.940) 6.654 3.639 ( -0.397 -4.463 -1.069) 4.607 3.819 ( 9.394 3.244 -4.874) 11.069 3.944 ( -5.913 -3.649 5.346) 8.767 4.056 ( -4.380 -0.835 -3.373) 5.591 4.311 ( -4.997 3.647 -3.387) 7.053 4.355 ( -1.964 4.197 1.490) 4.868 4.382 ( -1.469 -0.045 4.353) 4.594 4.551 ( -0.885 -6.666 4.074) 7.862 4.686 ( 1.186 -0.759 -1.460) 2.028 4.806 ( 0.516 -2.643 1.635) 3.151 4.837 ( -0.190 -5.236 0.843) 5.307 5.051 ( 4.762 -0.718 -3.668) 6.054 5.157 ( -1.279 -0.713 3.870) 4.138 5.385 ( 5.359 0.521 -0.110) 5.385 5.520 ( -1.572 0.037 1.762) 2.362 5.634 ( -2.256 -0.448 1.703) 2.862 5.796 ( -2.950 5.928 -3.180) 7.345 5.869 ( -0.152 0.467 -2.439) 2.488 6.141 ( -3.569 -3.079 -1.119) 4.845 6.432 ( 2.759 -2.928 -2.157) 4.565 6.742 ( -0.692 -2.071 8.595) 8.868 7.060 ( -0.212 3.711 -6.466) 7.458 7.116 ( -1.775 -1.210 -5.546) 5.947 7.426 ( 8.721 -1.405 -5.470) 10.390 7.484 ( -5.557 1.770 3.580) 6.843 7.541 ( -3.551 -0.497 0.858) 3.687 8.771 ( -0.718 2.182 -4.394) 4.958 8.902 ( 5.463 -2.105 -1.403) 6.021 9.010 ( -6.841 2.854 -1.109) 7.495 9.238 ( 2.286 -0.713 2.586) 3.524 9.320 ( 5.310 -7.795 1.622) 9.570 9.407 ( 12.109 2.852 -0.258) 12.443 9.484 ( 5.189 -2.361 1.667) 5.940 9.683 ( -2.481 -2.093 -1.641) 3.637 10.314 ( -2.152 7.188 3.133) 8.131 10.458 ( -5.334 -4.326 4.348) 8.128 10.590 ( -4.161 8.565 -0.865) 9.561 10.763 ( -4.307 -7.120 -1.257) 8.416 11.080 ( 9.028 -1.084 0.273) 9.097 11.224 ( 7.822 1.922 -1.756) 8.244 11.565 ( 3.957 -0.295 -3.727) 5.444 11.591 ( 6.919 -0.725 -0.537) 6.978 12.966 ( -10.698 -2.220 -1.576) 11.039 13.020 ( -6.200 -2.073 1.587) 6.727 13.392 ( -5.138 2.172 1.271) 5.721 13.474 ( -6.576 -1.440 -1.598) 6.919 13.566 ( 1.609 3.328 0.465) 3.726 13.690 ( 3.181 -3.814 -0.184) 4.970 13.956 ( -2.100 2.345 -0.259) 3.158 14.057 ( -0.348 0.545 0.216) 0.681 14.470 ( 0.208 1.952 -2.288) 3.015 14.557 ( 7.710 3.393 3.143) 8.991 15.005 ( -2.077 2.338 3.442) 4.651 15.101 ( -2.952 -0.824 -2.439) 3.917 15.530 ( -0.204 -0.980 0.251) 1.032 15.696 ( 2.467 2.174 -1.910) 3.803 15.778 ( -3.128 2.151 2.781) 4.706 16.025 ( -3.447 3.871 -1.392) 5.367 16.625 ( 2.399 0.106 -0.156) 2.406 16.627 ( 1.282 -0.267 -0.869) 1.572 16.763 ( -1.559 0.892 0.231) 1.810 16.804 ( 2.667 -0.427 0.751) 2.804 19.133 ( -2.244 -2.387 -0.658) 3.342 19.372 ( 2.104 -1.932 -2.443) 3.758 20.288 ( -1.846 2.762 4.528) 5.616 20.673 ( -2.118 1.816 -6.733) 7.288 21.102 ( -0.766 -0.963 5.310) 5.451 21.563 ( 2.351 -0.831 -6.233) 6.714 22.978 ( -1.846 -1.586 3.857) 4.561 23.468 ( 4.847 -1.229 -1.365) 5.184 26.752 ( -0.747 0.779 0.030) 1.079 26.784 ( 0.357 -0.597 0.160) 0.714 29.403 ( 0.199 3.564 0.894) 3.680 29.539 ( 5.640 -1.768 2.889) 6.579 29.908 ( 1.604 2.630 7.828) 8.412 30.665 ( -12.674 1.134 -17.191) 21.389 30.866 ( -1.232 1.118 -2.435) 2.949 30.881 ( 0.475 0.056 -0.332) 0.582 31.303 ( -5.211 2.915 1.043) 6.061 31.851 ( -3.793 5.122 -8.117) 10.320 32.177 ( -1.778 -0.475 2.664) 3.238 32.335 ( 0.960 0.722 -0.486) 1.296 32.616 ( 0.807 3.252 -2.236) 4.028 32.745 ( 11.019 -4.469 -0.738) 11.914 33.602 ( -0.429 0.555 5.139) 5.186 33.975 ( 0.670 -1.132 -4.874) 5.049 35.626 ( 1.209 0.078 5.555) 5.686 35.933 ( 0.109 1.214 -6.018) 6.140 36.141 ( 6.423 -1.292 15.544) 16.868 36.211 ( -3.477 -0.149 6.064) 6.992 36.639 ( -0.154 2.004 -6.880) 7.167 36.724 ( 2.253 -0.947 -4.440) 5.068 37.548 ( -11.055 -0.069 7.817) 13.539 38.432 ( 5.156 -6.759 -4.558) 9.646 ======================= Grid point 109 (50/93) ======================= q-point: (-0.25 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( -1.085 2.699 -1.795) 3.418 1.129 ( -1.288 1.786 0.213) 2.212 1.754 ( 10.776 13.354 -10.312) 20.020 1.854 ( -1.156 0.809 2.236) 2.644 2.275 ( 2.013 9.101 2.292) 9.599 2.456 ( 0.215 -3.810 6.605) 7.628 2.664 ( -4.090 3.961 -2.958) 6.416 2.738 ( 1.110 -2.440 -0.193) 2.688 2.922 ( -5.828 3.445 -2.010) 7.062 3.000 ( -4.830 -5.987 -0.902) 7.745 3.221 ( 6.324 -0.254 5.668) 8.497 3.298 ( 2.455 2.387 -3.046) 4.583 3.454 ( -4.958 -7.051 9.092) 12.529 3.651 ( 1.018 -0.270 -0.824) 1.337 3.689 ( 0.137 1.716 7.728) 7.917 3.841 ( -5.660 -3.309 -3.837) 7.597 3.955 ( 4.642 -3.943 -8.759) 10.669 3.985 ( -0.878 4.766 5.491) 7.324 4.138 ( -6.928 2.459 -4.250) 8.492 4.285 ( -0.666 -5.142 -1.227) 5.328 4.503 ( 7.188 1.086 4.619) 8.612 4.635 ( 1.662 -2.268 1.165) 3.044 4.707 ( 1.593 2.820 1.920) 3.765 4.829 ( -2.944 -4.723 0.893) 5.637 4.845 ( -5.380 -5.753 4.060) 8.861 5.108 ( 1.432 -1.283 -1.392) 2.373 5.141 ( -3.828 0.949 2.959) 4.930 5.434 ( -3.641 4.546 0.504) 5.847 5.489 ( 3.173 -0.367 -1.193) 3.410 5.598 ( -4.607 -0.795 0.440) 4.696 5.651 ( -4.300 2.099 -2.907) 5.599 5.883 ( 3.738 2.337 -1.753) 4.744 6.104 ( -3.152 -3.334 -0.608) 4.628 6.456 ( -2.782 -2.984 -2.297) 4.682 6.768 ( -5.659 -0.583 7.956) 9.781 6.933 ( -1.841 3.363 -4.666) 6.039 7.133 ( 0.966 3.014 -2.277) 3.899 7.384 ( -2.970 1.300 1.866) 3.741 7.482 ( -1.516 -0.215 -2.356) 2.809 7.576 ( 8.366 -4.541 -2.340) 9.803 8.774 ( 5.485 0.521 -4.611) 7.184 8.902 ( -4.657 -1.911 -0.437) 5.053 9.027 ( 7.258 -1.720 -2.023) 7.728 9.329 ( 5.887 -1.643 2.652) 6.663 9.440 ( 0.980 0.705 -1.128) 1.653 9.558 ( 7.781 -0.055 -0.143) 7.783 9.624 ( 9.157 -3.507 1.428) 9.909 9.693 ( 0.738 -6.609 1.205) 6.758 10.203 ( -4.591 7.273 1.674) 8.762 10.376 ( -8.397 3.466 1.873) 9.276 10.454 ( -6.917 -0.151 0.548) 6.941 10.743 ( -2.743 -1.455 -1.350) 3.386 11.253 ( 10.473 -0.741 0.454) 10.509 11.338 ( 9.448 2.228 -0.678) 9.731 11.635 ( 5.903 -0.775 -3.203) 6.761 11.721 ( 7.819 -0.315 0.318) 7.832 12.792 ( -13.037 -3.394 -1.333) 13.537 12.946 ( -5.972 -6.227 0.976) 8.682 13.337 ( -0.661 -0.549 0.861) 1.216 13.386 ( -5.576 -2.407 -0.818) 6.128 13.541 ( 0.325 5.189 0.511) 5.224 13.751 ( 0.883 -1.609 -0.013) 1.836 13.927 ( 0.747 3.326 0.162) 3.413 14.027 ( -1.145 0.080 -0.692) 1.340 14.454 ( 0.463 2.656 -0.142) 2.700 14.566 ( -3.134 4.805 1.652) 5.970 14.860 ( -10.299 9.310 0.658) 13.899 15.125 ( 4.029 -1.704 -0.040) 4.374 15.547 ( 0.158 -2.216 -0.534) 2.285 15.665 ( 0.545 5.069 0.631) 5.137 15.752 ( 0.236 0.712 -0.762) 1.070 15.891 ( -4.723 6.353 0.033) 7.916 16.632 ( 2.075 1.172 -1.346) 2.738 16.685 ( 2.400 -0.941 0.354) 2.602 16.736 ( -1.592 -0.523 0.637) 1.793 16.865 ( 3.958 -0.858 -0.635) 4.099 19.130 ( -0.884 -3.082 -1.169) 3.412 19.409 ( 0.602 -2.928 -1.307) 3.262 20.232 ( -3.017 5.708 3.980) 7.584 20.575 ( -2.235 1.486 -5.491) 6.112 21.143 ( -0.106 -1.244 5.684) 5.820 21.581 ( 2.849 -1.315 -5.045) 5.941 23.018 ( 0.940 -3.282 2.183) 4.052 23.551 ( 4.020 -1.350 -0.107) 4.242 26.725 ( -1.006 1.393 -0.006) 1.718 26.801 ( 0.492 -1.077 0.107) 1.188 29.297 ( -4.870 11.195 0.657) 12.226 29.723 ( 10.406 -3.851 3.124) 11.527 29.953 ( 0.310 3.624 7.389) 8.235 30.387 ( -6.730 -4.680 -13.598) 15.877 30.821 ( -1.261 1.993 -1.380) 2.733 30.885 ( 0.654 0.449 -0.636) 1.016 31.163 ( -7.249 4.586 -0.570) 8.597 31.672 ( -4.490 10.129 -1.455) 11.174 32.196 ( 0.589 -1.408 1.751) 2.322 32.340 ( 0.729 1.115 0.186) 1.345 32.582 ( 0.409 -0.335 -3.710) 3.747 32.961 ( 12.181 0.149 -2.060) 12.355 33.607 ( -2.148 0.738 5.563) 6.008 33.973 ( 1.405 -1.475 -5.066) 5.460 35.685 ( 1.815 -0.000 5.761) 6.040 35.862 ( -1.875 1.626 -7.233) 7.647 36.200 ( -3.113 -0.534 6.722) 7.427 36.308 ( 2.425 0.589 9.687) 10.003 36.561 ( 2.300 3.102 -12.854) 13.421 36.749 ( 2.553 -1.141 -3.937) 4.829 37.467 ( -11.563 -7.090 13.718) 19.291 38.550 ( 3.682 -7.190 -4.434) 9.215 ======================= Grid point 110 (51/93) ======================= q-point: (-0.12 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( -0.302 1.338 -4.466) 4.672 1.079 ( -1.017 2.786 -0.972) 3.121 1.667 ( 3.149 4.227 -8.327) 9.855 1.958 ( 7.521 11.001 0.627) 13.341 2.312 ( 5.163 -6.710 10.640) 13.597 2.484 ( -6.679 1.019 -8.165) 10.598 2.558 ( -5.970 3.011 3.695) 7.640 2.683 ( 1.843 1.349 4.979) 5.478 2.873 ( -1.664 0.338 -2.322) 2.877 2.978 ( -3.851 -6.581 -2.772) 8.113 3.269 ( 4.857 1.440 0.652) 5.108 3.425 ( 6.348 3.867 0.593) 7.457 3.482 ( -1.433 -12.473 -2.227) 12.751 3.640 ( -1.632 4.940 4.804) 7.081 3.708 ( -2.430 -2.134 3.588) 4.830 3.830 ( -0.256 -1.879 1.749) 2.580 3.950 ( 0.397 4.500 -0.139) 4.519 3.970 ( 1.109 -1.814 -1.514) 2.610 4.072 ( 0.530 -5.781 -5.375) 7.912 4.341 ( -0.785 -4.212 -1.276) 4.470 4.602 ( -0.509 3.275 0.266) 3.325 4.623 ( -1.402 1.941 4.386) 4.998 4.722 ( 1.876 0.056 4.433) 4.814 4.847 ( -2.200 -2.841 4.867) 6.049 4.896 ( 3.947 -5.264 -1.866) 6.839 5.058 ( -2.471 5.355 3.847) 7.042 5.106 ( -2.265 -0.606 -1.456) 2.760 5.280 ( -7.064 2.711 -2.435) 7.949 5.448 ( -4.831 3.978 2.154) 6.619 5.558 ( 0.158 -1.334 -4.720) 4.908 5.622 ( -1.922 -3.053 0.470) 3.638 5.907 ( 4.068 3.899 -1.367) 5.798 6.114 ( -1.203 -6.010 -0.259) 6.135 6.372 ( -6.204 0.806 -2.260) 6.652 6.683 ( -4.718 4.612 2.575) 7.082 6.867 ( -3.656 1.943 0.421) 4.162 7.058 ( -0.382 3.916 1.113) 4.089 7.422 ( 2.757 -1.520 1.324) 3.415 7.464 ( 0.627 -1.766 -4.405) 4.787 7.757 ( 8.001 -4.797 -1.007) 9.383 8.804 ( 1.886 1.901 -3.147) 4.132 8.888 ( -0.635 -3.603 -1.036) 3.803 9.146 ( 5.560 -2.804 -1.502) 6.406 9.370 ( -0.784 2.772 -2.095) 3.562 9.505 ( 7.901 -4.074 0.696) 8.916 9.685 ( 2.188 -1.403 1.835) 3.181 9.729 ( 9.318 -0.252 -1.792) 9.493 9.879 ( 4.942 -7.206 2.721) 9.151 10.058 ( -4.932 6.507 1.808) 8.363 10.217 ( -7.783 1.344 0.129) 7.899 10.295 ( -11.756 3.160 0.612) 12.189 10.702 ( -0.545 1.628 -1.847) 2.522 11.407 ( 6.377 -0.264 1.396) 6.533 11.463 ( 7.583 0.600 0.092) 7.607 11.696 ( 2.907 0.058 -0.987) 3.070 11.832 ( 5.150 -0.211 -0.107) 5.155 12.617 ( -10.423 -2.151 -0.303) 10.647 13.015 ( 2.728 -7.793 -0.178) 8.259 13.348 ( -2.692 -4.298 -0.069) 5.072 13.417 ( 5.593 -7.181 0.419) 9.112 13.481 ( -0.742 5.320 0.573) 5.402 13.765 ( 1.869 1.241 -0.504) 2.299 13.880 ( -2.255 1.066 -1.349) 2.836 14.042 ( 2.253 0.708 0.968) 2.552 14.374 ( -9.529 13.717 -0.400) 16.707 14.413 ( -6.363 3.792 1.774) 7.617 14.582 ( -8.125 3.958 -0.076) 9.038 15.207 ( 3.295 -1.444 -0.353) 3.615 15.562 ( 0.017 -1.953 -1.073) 2.228 15.677 ( 3.833 1.408 0.965) 4.196 15.718 ( -0.479 4.732 -1.222) 4.910 15.786 ( -3.401 1.941 1.651) 4.250 16.650 ( 3.044 2.049 -1.102) 3.831 16.708 ( -1.310 -1.961 -0.354) 2.385 16.739 ( 0.549 -0.308 1.277) 1.423 16.928 ( 3.433 -0.589 -1.885) 3.961 19.153 ( 0.930 -2.316 -0.430) 2.532 19.428 ( -0.385 -1.893 -1.187) 2.267 20.143 ( -2.679 5.734 2.732) 6.893 20.521 ( -0.353 -0.004 -2.963) 2.984 21.186 ( -0.626 -0.868 6.078) 6.171 21.613 ( 2.696 -1.224 -3.926) 4.917 23.090 ( 1.243 -4.143 2.799) 5.153 23.605 ( 1.874 0.235 -0.632) 1.992 26.698 ( -0.641 0.997 -0.068) 1.187 26.818 ( 0.330 -0.706 0.009) 0.780 29.091 ( -5.232 9.620 0.099) 10.951 29.809 ( 0.187 8.679 -0.926) 8.730 30.059 ( 5.215 -11.876 10.297) 16.561 30.406 ( 2.076 -5.878 -3.460) 7.129 30.772 ( 0.317 0.854 -2.955) 3.092 30.890 ( 2.532 0.688 -2.421) 3.570 31.013 ( -4.976 2.394 -0.329) 5.531 31.494 ( -3.518 13.295 3.656) 14.230 32.233 ( 0.817 -0.981 1.720) 2.142 32.336 ( 0.040 1.011 0.417) 1.094 32.591 ( 1.850 -1.461 -2.864) 3.710 33.075 ( 7.504 3.849 -6.570) 10.691 33.602 ( -2.685 -0.380 7.303) 7.791 33.986 ( 2.564 -0.536 -4.646) 5.333 35.725 ( -1.881 1.212 -2.273) 3.190 35.785 ( 0.983 0.054 -0.694) 1.204 36.205 ( -2.472 -0.859 6.749) 7.239 36.287 ( -1.366 6.039 -5.464) 8.258 36.539 ( 3.811 -0.855 -7.161) 8.157 36.776 ( 2.659 -0.455 -3.461) 4.388 37.477 ( -12.013 -11.718 17.400) 24.174 38.624 ( 2.436 -3.220 -5.421) 6.759 ======================= Grid point 116 (52/93) ======================= q-point: (-0.38 0.62 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( -1.529 -0.000 -1.630) 2.235 1.142 ( -0.818 -0.000 1.089) 1.362 1.872 ( -4.158 -0.000 8.446) 9.414 1.931 ( 8.012 0.000 -15.785) 17.702 2.348 ( -0.087 -0.000 -3.889) 3.890 2.410 ( 4.534 0.000 4.254) 6.217 2.691 ( -2.707 -0.000 6.596) 7.130 2.750 ( -6.553 -0.000 -7.234) 9.761 2.788 ( -7.823 -0.000 2.925) 8.352 3.072 ( 2.473 0.000 -2.846) 3.770 3.188 ( -1.677 -0.000 2.038) 2.640 3.369 ( -5.653 -0.000 14.054) 15.148 3.480 ( 1.153 0.000 2.401) 2.664 3.514 ( 2.542 0.000 -5.846) 6.375 3.606 ( 0.501 0.000 3.663) 3.697 3.899 ( -6.700 -0.000 -13.106) 14.719 3.906 ( -2.262 -0.000 3.292) 3.994 4.066 ( 14.058 0.000 2.936) 14.362 4.165 ( -8.154 -0.000 -4.517) 9.322 4.252 ( -6.261 -0.000 -0.422) 6.275 4.526 ( -1.829 -0.000 6.090) 6.359 4.580 ( 11.162 0.000 6.317) 12.825 4.738 ( 6.474 0.000 -5.896) 8.756 4.764 ( -6.229 -0.000 2.639) 6.765 4.789 ( -2.310 -0.000 6.313) 6.722 5.084 ( 0.118 0.000 -3.762) 3.764 5.161 ( -2.175 -0.000 6.361) 6.723 5.470 ( -6.228 -0.000 -0.411) 6.241 5.482 ( 5.902 0.000 -0.812) 5.957 5.580 ( -3.722 -0.000 0.126) 3.724 5.720 ( -6.285 -0.000 -2.922) 6.931 5.875 ( 1.313 0.000 -0.921) 1.604 6.086 ( -1.418 -0.000 -1.231) 1.878 6.417 ( -0.863 -0.000 -2.164) 2.330 6.755 ( -3.968 -0.000 10.696) 11.408 6.983 ( -3.649 -0.000 -6.590) 7.533 7.154 ( 6.473 0.000 -3.220) 7.230 7.431 ( -2.752 -0.000 2.883) 3.986 7.466 ( -1.399 -0.000 -3.928) 4.169 7.523 ( 4.803 0.000 -1.932) 5.177 8.771 ( 3.042 0.000 -4.849) 5.724 8.923 ( -2.891 -0.000 -3.575) 4.597 8.974 ( 5.572 0.000 0.147) 5.574 9.372 ( 6.348 0.000 3.076) 7.053 9.385 ( 9.352 0.000 1.147) 9.422 9.550 ( 0.127 0.000 0.683) 0.695 9.591 ( 7.437 0.000 1.856) 7.665 9.632 ( 4.128 0.000 -1.456) 4.378 10.306 ( -10.254 -0.000 2.975) 10.677 10.372 ( -1.109 -0.000 1.486) 1.854 10.486 ( -11.391 -0.000 -1.006) 11.436 10.699 ( -0.071 -0.000 -0.228) 0.239 11.246 ( 11.370 0.000 0.414) 11.377 11.374 ( 9.331 0.000 -0.952) 9.380 11.625 ( 6.929 0.000 -4.583) 8.308 11.716 ( 7.540 0.000 1.268) 7.646 12.761 ( -10.166 -0.000 -2.184) 10.398 12.875 ( -9.933 -0.000 1.875) 10.108 13.339 ( -3.616 -0.000 2.128) 4.195 13.353 ( -5.042 -0.000 -2.089) 5.458 13.623 ( 0.761 0.000 0.709) 1.040 13.701 ( 1.664 0.000 -0.515) 1.741 13.977 ( 2.366 0.000 0.997) 2.568 14.017 ( -3.535 -0.000 -1.281) 3.760 14.481 ( -0.168 -0.000 -0.008) 0.168 14.612 ( -4.827 -0.000 1.328) 5.007 14.999 ( -3.712 -0.000 2.310) 4.372 15.071 ( 0.862 0.000 -1.258) 1.525 15.521 ( 0.404 0.000 -0.880) 0.968 15.723 ( -0.685 -0.000 0.003) 0.685 15.757 ( -1.021 -0.000 0.716) 1.247 15.960 ( -5.872 -0.000 -0.550) 5.897 16.640 ( 1.838 0.000 -0.495) 1.903 16.673 ( 2.027 0.000 0.282) 2.047 16.732 ( -2.007 -0.000 0.335) 2.035 16.856 ( 3.765 0.000 -0.207) 3.770 19.098 ( 0.022 0.000 -0.932) 0.932 19.377 ( 1.309 0.000 -1.416) 1.928 20.298 ( -2.445 -0.000 5.060) 5.620 20.586 ( -4.198 -0.000 -6.190) 7.480 21.130 ( 0.377 0.000 5.543) 5.555 21.567 ( 3.142 0.000 -5.399) 6.247 22.982 ( 0.812 0.000 1.758) 1.937 23.534 ( 4.299 0.000 0.339) 4.313 26.750 ( -0.292 -0.000 -0.352) 0.457 26.780 ( -0.242 -0.000 0.501) 0.557 29.480 ( 3.531 0.000 -0.332) 3.546 29.604 ( 0.750 0.000 6.018) 6.065 30.007 ( 4.795 0.000 5.985) 7.669 30.331 ( -14.701 -0.000 -14.078) 20.354 30.840 ( -1.530 -0.000 -0.888) 1.769 30.888 ( 0.345 0.000 0.146) 0.374 31.216 ( -7.648 -0.000 -1.017) 7.716 31.781 ( -4.218 -0.000 -0.905) 4.314 32.181 ( 0.350 0.000 2.497) 2.521 32.351 ( 0.547 0.000 -0.027) 0.548 32.578 ( -0.255 -0.000 -5.491) 5.497 32.958 ( 12.966 0.000 1.714) 13.079 33.615 ( -2.161 -0.000 4.566) 5.052 33.958 ( 1.886 0.000 -4.732) 5.094 35.686 ( 1.705 0.000 5.931) 6.171 35.881 ( -1.928 -0.000 -7.909) 8.141 36.194 ( -3.218 -0.000 6.508) 7.260 36.309 ( 3.064 0.000 14.353) 14.676 36.600 ( 1.335 0.000 -13.216) 13.283 36.733 ( 2.963 0.000 -4.202) 5.141 37.397 ( -11.733 -0.000 6.830) 13.576 38.475 ( 6.687 0.000 -3.069) 7.358 ======================= Grid point 118 (53/93) ======================= q-point: (-0.25 -0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( -2.430 1.187 -2.565) 3.728 1.134 ( -0.176 1.833 0.320) 1.869 1.835 ( 2.308 12.071 -1.723) 12.410 2.096 ( 8.158 -10.872 7.825) 15.684 2.191 ( -10.221 7.441 -3.680) 13.167 2.492 ( -8.802 -8.110 -2.570) 12.242 2.532 ( -5.950 4.207 -3.333) 8.013 2.658 ( 3.841 -4.051 -1.117) 5.693 2.815 ( -0.941 -3.947 3.853) 5.595 3.008 ( -0.502 9.622 -1.975) 9.835 3.235 ( 0.525 -10.876 -0.376) 10.895 3.394 ( 3.678 7.676 1.592) 8.659 3.474 ( 4.363 2.992 4.902) 7.212 3.604 ( -3.516 -5.471 0.979) 6.577 3.715 ( 3.743 -7.972 -1.938) 9.017 3.756 ( 2.755 2.495 -5.805) 6.893 3.899 ( 1.566 -1.804 -0.807) 2.522 4.029 ( -3.629 0.493 -1.845) 4.101 4.134 ( -3.606 8.234 3.837) 9.774 4.271 ( 5.561 -1.074 -3.108) 6.460 4.510 ( -7.576 -6.180 8.155) 12.731 4.691 ( -6.277 0.546 3.466) 7.191 4.737 ( 1.788 -2.547 2.735) 4.143 4.816 ( 8.459 2.174 -5.454) 10.297 4.836 ( 3.381 0.719 7.044) 7.847 5.042 ( -3.502 -3.963 -2.285) 5.761 5.153 ( -1.268 2.911 8.145) 8.743 5.334 ( -6.391 1.927 -2.403) 7.095 5.516 ( -4.377 -0.894 -2.918) 5.336 5.539 ( 1.659 -0.880 -2.016) 2.755 5.601 ( -3.839 4.031 -1.428) 5.747 5.889 ( -2.094 -4.184 0.418) 4.698 6.075 ( 1.922 1.055 -1.378) 2.589 6.378 ( -2.439 -0.070 -2.426) 3.441 6.745 ( -4.562 1.240 10.049) 11.106 6.900 ( -1.993 1.361 -2.852) 3.736 7.170 ( -0.251 4.833 -1.953) 5.219 7.414 ( -0.305 -1.800 -5.685) 5.971 7.466 ( 5.747 3.983 1.753) 7.208 7.640 ( 7.215 -5.913 -0.813) 9.364 8.818 ( 1.950 -2.344 -0.971) 3.200 8.867 ( 2.888 3.164 -5.779) 7.194 9.076 ( 4.128 -3.324 -0.737) 5.351 9.425 ( -2.280 1.489 -2.139) 3.463 9.483 ( 8.056 2.055 2.400) 8.653 9.636 ( 5.174 -3.011 4.458) 7.465 9.731 ( 9.434 -0.619 -0.984) 9.505 9.746 ( 6.441 -3.719 -0.000) 7.438 10.142 ( -9.038 1.515 1.171) 9.238 10.272 ( -9.852 3.041 1.022) 10.361 10.337 ( -6.722 1.075 -0.556) 6.830 10.690 ( -2.408 -1.589 -0.251) 2.896 11.414 ( 7.713 0.577 1.199) 7.827 11.478 ( 4.639 0.574 -0.299) 4.684 11.702 ( 4.997 0.258 -3.042) 5.856 11.824 ( 4.397 -0.393 1.109) 4.552 12.637 ( -2.464 3.513 -1.251) 4.469 12.832 ( 0.946 -8.264 0.735) 8.350 13.285 ( -2.959 -1.558 -1.512) 3.670 13.326 ( -0.119 -2.015 1.826) 2.722 13.594 ( -1.031 4.671 0.519) 4.811 13.732 ( 0.017 -3.203 -0.462) 3.236 13.934 ( -3.082 2.853 -1.128) 4.349 14.033 ( 1.537 -1.163 1.178) 2.259 14.452 ( -2.967 1.576 0.242) 3.369 14.506 ( -5.367 0.611 0.095) 5.402 14.817 ( -11.189 14.808 0.818) 18.578 15.101 ( -3.409 -8.935 0.238) 9.566 15.526 ( -0.555 -0.610 -1.175) 1.435 15.705 ( 0.221 0.555 0.666) 0.895 15.747 ( -1.347 0.109 0.059) 1.353 15.864 ( -3.018 2.944 -0.444) 4.240 16.672 ( 0.121 -0.346 -0.379) 0.527 16.672 ( 0.089 -0.577 -0.162) 0.606 16.734 ( 0.949 -0.072 1.107) 1.460 16.920 ( 4.452 -0.171 -1.119) 4.593 19.121 ( 2.568 -0.825 -0.076) 2.698 19.397 ( 1.501 -0.923 -1.156) 2.108 20.263 ( -3.043 4.755 4.549) 7.250 20.493 ( -3.425 -2.020 -4.718) 6.170 21.174 ( 0.145 -0.290 6.219) 6.227 21.594 ( 3.496 -0.549 -4.418) 5.661 23.019 ( 1.321 -2.165 1.187) 2.801 23.597 ( 2.470 -0.521 0.705) 2.621 26.731 ( -0.307 1.878 -0.293) 1.925 26.791 ( -0.072 -1.688 0.356) 1.727 29.357 ( -5.689 15.586 -0.348) 16.596 29.737 ( -3.493 -17.399 5.490) 18.576 30.011 ( -0.212 10.612 -2.274) 10.855 30.243 ( 6.291 -9.813 -0.954) 11.695 30.796 ( -3.164 0.895 -1.051) 3.452 30.894 ( 0.558 0.025 -0.154) 0.580 31.063 ( -8.001 1.695 -1.297) 8.281 31.706 ( -3.194 6.137 5.424) 8.791 32.213 ( 1.236 -0.647 2.178) 2.587 32.348 ( -0.659 0.183 -0.012) 0.684 32.566 ( 2.002 -0.783 -4.281) 4.791 33.129 ( 8.108 1.359 -0.985) 8.280 33.594 ( -3.734 -0.279 4.721) 6.026 33.980 ( 4.066 -0.098 -3.908) 5.641 35.747 ( 1.046 0.783 3.184) 3.442 35.783 ( -2.493 -0.174 -6.697) 7.148 36.191 ( -2.703 -0.373 7.055) 7.564 36.388 ( -1.064 3.121 6.457) 7.250 36.525 ( 2.653 -0.420 -17.407) 17.613 36.764 ( 3.256 -0.492 -3.384) 4.722 37.301 ( -10.180 -4.928 11.793) 16.340 38.581 ( 7.743 -1.035 -3.597) 8.601 ======================= Grid point 119 (54/93) ======================= q-point: (-0.12 -0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.010 ( 1.133 1.630 -3.080) 3.664 1.092 ( -0.879 2.213 -2.573) 3.506 1.758 ( -1.605 1.516 -5.197) 5.647 1.921 ( -16.588 -5.285 0.609) 17.421 2.160 ( -9.520 -2.972 -1.830) 10.139 2.317 ( -9.096 6.886 -4.504) 12.266 2.655 ( 14.142 -5.142 4.581) 15.730 2.753 ( -3.529 1.424 5.631) 6.797 2.863 ( 4.378 -5.997 -2.842) 7.950 2.912 ( 0.356 5.522 1.978) 5.876 3.365 ( 4.166 -1.439 -1.750) 4.742 3.405 ( 2.893 -4.684 -3.766) 6.670 3.521 ( 2.168 1.768 1.745) 3.298 3.597 ( -3.823 -3.646 2.429) 5.814 3.738 ( 2.607 3.555 -0.126) 4.410 3.779 ( -2.450 -2.190 0.323) 3.302 3.926 ( -4.051 5.258 1.102) 6.728 4.023 ( 0.537 1.547 -4.071) 4.388 4.108 ( 8.448 -3.014 3.244) 9.538 4.294 ( 1.594 -2.648 0.639) 3.156 4.530 ( -7.485 -8.902 7.775) 13.990 4.620 ( -1.954 2.400 2.593) 4.037 4.752 ( -1.323 4.246 0.247) 4.454 4.836 ( 1.509 -0.560 0.457) 1.673 4.929 ( 5.350 -3.962 -4.213) 7.878 5.026 ( -2.707 -1.414 -0.488) 3.093 5.216 ( 2.648 4.600 3.430) 6.319 5.261 ( 5.561 3.382 5.266) 8.372 5.419 ( -4.169 1.169 -2.145) 4.833 5.508 ( -0.990 1.619 -1.499) 2.418 5.553 ( -1.034 -2.539 -5.320) 5.985 5.891 ( -3.863 -5.521 0.147) 6.740 6.112 ( 4.180 0.041 -0.288) 4.190 6.319 ( -1.126 2.700 -1.409) 3.247 6.709 ( -1.222 5.085 3.940) 6.548 6.854 ( -0.640 1.632 0.349) 1.788 7.097 ( -1.029 4.381 1.392) 4.711 7.393 ( -1.448 -3.979 -6.773) 7.988 7.525 ( 5.521 5.893 1.437) 8.202 7.807 ( 4.680 -4.795 -0.102) 6.701 8.800 ( -0.629 1.089 -2.117) 2.463 8.926 ( 6.806 0.828 -1.829) 7.096 9.141 ( -0.210 -3.850 -0.996) 3.983 9.384 ( 0.639 0.952 -1.808) 2.141 9.607 ( 7.299 0.004 0.028) 7.299 9.723 ( 0.935 0.681 0.327) 1.202 9.802 ( 1.242 -1.124 -2.262) 2.814 9.889 ( -0.905 -4.117 3.196) 5.290 10.053 ( -2.285 1.367 2.601) 3.722 10.125 ( -4.841 1.598 0.362) 5.111 10.185 ( -2.865 4.099 -1.236) 5.152 10.658 ( -3.488 -2.997 -0.930) 4.691 11.469 ( -0.103 0.407 1.523) 1.579 11.512 ( -1.757 -1.000 0.327) 2.048 11.742 ( 2.383 1.128 -0.122) 2.639 11.869 ( -0.059 -0.608 0.048) 0.613 12.613 ( 7.448 7.000 -0.201) 10.223 13.010 ( 6.379 -7.430 -0.284) 9.796 13.282 ( 0.036 -3.895 -0.318) 3.908 13.423 ( 4.245 -8.358 0.794) 9.408 13.524 ( -0.695 5.204 0.585) 5.282 13.771 ( 1.675 -4.804 -1.050) 5.194 13.857 ( -1.291 2.797 -0.952) 3.224 14.051 ( -2.179 -1.641 0.830) 2.851 14.343 ( -15.026 19.212 0.391) 24.393 14.374 ( -1.956 2.850 -0.018) 3.457 14.527 ( -2.065 0.784 0.506) 2.266 15.133 ( -5.248 -10.742 -0.130) 11.956 15.497 ( -3.479 -3.221 -0.948) 4.835 15.704 ( -2.330 1.021 -0.101) 2.546 15.724 ( -0.786 -1.209 1.441) 2.039 15.809 ( 1.272 4.924 -0.424) 5.103 16.645 ( -2.724 -1.882 -0.359) 3.330 16.703 ( 2.034 0.515 -0.477) 2.152 16.750 ( -0.257 -0.308 1.204) 1.269 16.972 ( 3.237 1.287 -1.802) 3.922 19.190 ( 4.709 -0.142 1.213) 4.865 19.424 ( 2.291 -0.005 -1.788) 2.906 20.173 ( -3.090 6.161 2.768) 7.428 20.469 ( -1.266 -4.277 -2.202) 4.975 21.211 ( -1.013 0.128 7.029) 7.103 21.626 ( 2.815 -0.315 -3.737) 4.689 23.085 ( 1.410 -4.339 2.723) 5.313 23.623 ( 0.360 0.409 -0.555) 0.778 26.707 ( 0.040 1.821 -0.196) 1.832 26.808 ( -0.209 -1.515 0.124) 1.534 29.110 ( -5.610 10.658 -0.198) 12.047 29.721 ( -11.405 -5.875 0.609) 12.843 30.083 ( 3.768 -7.838 6.036) 10.586 30.419 ( 4.052 -0.103 0.433) 4.076 30.737 ( -0.208 -4.026 -2.278) 4.630 30.919 ( 3.370 -1.683 -1.265) 3.973 30.970 ( -1.395 0.272 -0.418) 1.481 31.618 ( -2.408 11.856 9.697) 15.505 32.252 ( 0.889 -0.623 2.128) 2.389 32.333 ( -1.153 -0.278 0.211) 1.204 32.590 ( 1.879 -1.254 -2.573) 3.424 33.156 ( 2.309 4.973 -6.973) 8.871 33.583 ( -3.218 -2.461 6.178) 7.388 34.031 ( 5.150 1.247 -2.865) 6.024 35.650 ( -3.499 1.424 -7.320) 8.237 35.827 ( 2.423 -0.979 3.006) 3.983 36.202 ( -2.068 -0.634 6.435) 6.789 36.270 ( -2.059 7.193 -13.765) 15.667 36.514 ( 0.847 -3.791 -5.649) 6.856 36.797 ( 2.634 -0.201 -2.802) 3.851 37.309 ( -8.713 -8.048 16.909) 20.655 38.681 ( 8.505 2.277 -4.931) 10.091 ======================= Grid point 126 (55/93) ======================= q-point: (-0.25 -0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( 1.287 0.000 -1.236) 1.785 1.122 ( -2.547 -0.000 -3.809) 4.582 1.760 ( -20.514 -0.000 -2.488) 20.664 1.847 ( -24.642 -0.000 -3.270) 24.858 2.256 ( 12.517 0.000 4.322) 13.242 2.271 ( -10.377 -0.000 -0.724) 10.402 2.651 ( 9.116 0.000 -8.476) 12.447 2.713 ( 11.649 0.000 1.969) 11.814 2.770 ( -5.071 -0.000 3.068) 5.927 3.137 ( 2.073 0.000 -1.352) 2.475 3.150 ( 0.930 0.000 5.143) 5.226 3.421 ( -3.067 -0.000 -6.705) 7.374 3.543 ( -2.661 -0.000 3.638) 4.508 3.569 ( 5.095 0.000 4.017) 6.488 3.713 ( 1.401 0.000 -3.648) 3.907 3.788 ( 0.418 0.000 -2.717) 2.749 3.988 ( 10.509 0.000 -6.147) 12.175 4.075 ( 6.035 0.000 5.341) 8.059 4.126 ( -2.451 -0.000 1.184) 2.722 4.305 ( -12.177 -0.000 11.530) 16.770 4.309 ( -1.939 -0.000 1.581) 2.502 4.712 ( 2.129 0.000 -2.554) 3.325 4.724 ( -0.578 -0.000 6.615) 6.640 4.815 ( -5.048 -0.000 4.756) 6.935 4.947 ( -1.312 -0.000 -4.274) 4.471 4.974 ( 9.355 0.000 -6.706) 11.511 5.273 ( -3.967 -0.000 1.871) 4.386 5.300 ( 8.888 0.000 10.276) 13.587 5.406 ( -4.723 -0.000 -5.895) 7.553 5.525 ( 2.130 0.000 -6.828) 7.153 5.575 ( -1.548 -0.000 -1.004) 1.845 5.795 ( -5.565 -0.000 1.088) 5.670 6.123 ( 3.166 0.000 0.129) 3.169 6.351 ( 0.391 0.000 -1.754) 1.797 6.762 ( -1.999 -0.000 8.929) 9.150 6.870 ( -0.772 -0.000 -0.976) 1.244 7.178 ( -1.235 -0.000 -1.262) 1.766 7.331 ( -1.992 -0.000 -7.426) 7.688 7.657 ( 8.522 0.000 2.545) 8.894 7.690 ( 5.655 0.000 -0.946) 5.734 8.814 ( -0.305 -0.000 -0.884) 0.935 8.942 ( 8.623 0.000 -4.606) 9.776 9.091 ( -0.457 -0.000 -0.019) 0.457 9.381 ( -0.746 -0.000 -1.499) 1.675 9.637 ( 7.579 0.000 0.664) 7.608 9.743 ( 5.353 0.000 0.513) 5.377 9.770 ( -1.355 -0.000 0.096) 1.359 9.832 ( 0.653 0.000 1.026) 1.216 10.039 ( -2.921 -0.000 0.904) 3.058 10.160 ( -4.732 -0.000 -0.006) 4.732 10.253 ( -3.529 -0.000 -0.345) 3.545 10.610 ( -6.379 -0.000 -0.074) 6.380 11.484 ( -2.330 -0.000 0.515) 2.387 11.490 ( -0.064 -0.000 1.297) 1.298 11.760 ( 3.424 0.000 -1.426) 3.709 11.860 ( -0.653 -0.000 0.982) 1.179 12.768 ( 12.327 0.000 -1.500) 12.418 12.845 ( 8.003 0.000 0.854) 8.049 13.244 ( -0.116 -0.000 -1.177) 1.183 13.330 ( 1.030 0.000 1.745) 2.026 13.602 ( -1.164 -0.000 0.768) 1.394 13.701 ( -0.362 -0.000 -0.817) 0.894 13.901 ( -2.022 -0.000 -0.228) 2.035 14.016 ( -3.136 -0.000 0.021) 3.137 14.426 ( -1.294 -0.000 -1.131) 1.719 14.457 ( -0.901 -0.000 0.876) 1.256 14.796 ( -9.778 -0.000 1.448) 9.885 14.830 ( -15.333 -0.000 -0.378) 15.338 15.473 ( -4.831 -0.000 -0.767) 4.891 15.705 ( -2.466 -0.000 2.438) 3.468 15.718 ( -0.542 -0.000 -1.067) 1.196 15.864 ( 0.996 0.000 -1.387) 1.708 16.625 ( -2.593 -0.000 -0.329) 2.614 16.702 ( 1.276 0.000 0.418) 1.343 16.749 ( -0.007 -0.000 0.709) 0.709 16.987 ( 4.646 0.000 -1.253) 4.812 19.189 ( 5.604 0.000 1.552) 5.815 19.423 ( 3.335 0.000 -1.795) 3.788 20.281 ( -2.685 -0.000 5.696) 6.297 20.385 ( -3.636 -0.000 -5.122) 6.281 21.212 ( -0.677 -0.000 7.602) 7.632 21.622 ( 3.407 0.000 -3.881) 5.164 23.034 ( 1.127 0.000 1.347) 1.756 23.624 ( 0.678 0.000 0.293) 0.739 26.740 ( 0.139 0.000 -0.663) 0.677 26.779 ( -0.309 -0.000 0.701) 0.766 29.338 ( -9.678 -0.000 -4.609) 10.720 29.513 ( -9.739 -0.000 6.531) 11.726 30.052 ( -1.416 -0.000 1.790) 2.282 30.382 ( 14.136 0.000 0.807) 14.159 30.703 ( -7.223 -0.000 -1.962) 7.485 30.907 ( 1.381 0.000 -0.066) 1.383 30.973 ( -2.326 -0.000 -0.629) 2.410 31.751 ( -2.066 -0.000 11.712) 11.893 32.244 ( 1.113 0.000 2.039) 2.324 32.325 ( -1.630 -0.000 -0.862) 1.844 32.577 ( 2.197 0.000 -2.894) 3.633 33.216 ( 3.193 0.000 -3.749) 4.924 33.549 ( -4.478 -0.000 4.207) 6.144 34.045 ( 5.974 0.000 -2.512) 6.481 35.668 ( -3.602 -0.000 -8.241) 8.994 35.814 ( 2.211 0.000 3.717) 4.325 36.195 ( -2.141 -0.000 7.099) 7.415 36.400 ( 1.831 0.000 -29.707) 29.764 36.424 ( -3.728 -0.000 8.134) 8.948 36.794 ( 3.020 0.000 -3.046) 4.290 37.223 ( -7.269 -0.000 17.297) 18.763 38.705 ( 10.816 0.000 -4.432) 11.689 ======================= Grid point 127 (56/93) ======================= q-point: (-0.12 -0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.991 ( -6.846 0.237 -6.825) 9.670 1.074 ( 3.238 -0.382 -1.230) 3.484 1.374 ( -25.503 -4.393 -6.508) 26.684 1.470 ( -25.106 -11.972 -1.386) 27.849 2.004 ( -24.650 -2.322 2.832) 24.921 2.401 ( 13.488 11.681 -7.141) 19.219 2.695 ( -2.629 1.648 1.710) 3.543 2.786 ( 4.261 -4.910 -8.625) 10.800 2.926 ( 5.213 -2.976 7.350) 9.489 2.999 ( -3.493 7.401 3.047) 8.732 3.207 ( -8.953 -8.663 -1.051) 12.502 3.458 ( 7.651 -0.280 0.174) 7.658 3.566 ( 2.508 -0.717 1.617) 3.069 3.619 ( -0.765 4.499 3.417) 5.701 3.710 ( -1.146 -5.115 3.245) 6.165 3.801 ( -1.132 -1.354 -0.451) 1.822 3.898 ( -7.428 2.842 -4.459) 9.118 4.012 ( -0.434 7.025 5.398) 8.871 4.196 ( 0.263 -0.689 5.071) 5.124 4.395 ( 10.090 -3.299 1.114) 10.674 4.463 ( 8.834 -7.011 6.072) 12.808 4.629 ( -2.763 4.622 3.059) 6.194 4.768 ( 2.705 -1.276 0.090) 2.993 4.893 ( 1.591 2.469 -6.062) 6.737 4.966 ( 11.080 -3.736 3.855) 12.312 5.009 ( -3.137 3.182 -0.729) 4.527 5.235 ( 2.267 -1.070 -5.140) 5.719 5.310 ( -3.188 -2.787 -6.440) 7.707 5.480 ( 3.940 2.300 6.253) 7.740 5.516 ( 3.136 1.044 -6.997) 7.739 5.564 ( 6.426 5.067 0.254) 8.187 5.766 ( -2.923 -6.449 0.637) 7.109 6.186 ( 4.989 -0.215 1.135) 5.120 6.362 ( 3.352 2.526 -0.301) 4.208 6.771 ( 0.411 3.698 2.961) 4.755 6.885 ( 3.264 -0.401 1.055) 3.454 7.125 ( -1.818 3.740 0.866) 4.248 7.265 ( -3.574 -3.921 -7.309) 9.031 7.689 ( 3.651 7.923 0.901) 8.770 7.812 ( 1.111 -3.683 0.373) 3.865 8.807 ( 1.633 1.543 -1.672) 2.800 9.047 ( 2.191 0.689 0.922) 2.475 9.083 ( 3.298 -2.311 -2.313) 4.645 9.385 ( 0.853 -0.193 -3.083) 3.205 9.663 ( -8.839 1.778 -0.737) 9.046 9.696 ( -12.337 -0.310 0.929) 12.376 9.721 ( 2.630 1.607 -1.711) 3.525 9.846 ( 2.223 -3.317 2.284) 4.600 10.069 ( 2.008 0.959 2.076) 3.044 10.103 ( 0.478 0.320 -0.395) 0.698 10.289 ( 8.578 3.938 -1.293) 9.527 10.527 ( -5.381 -6.139 -0.130) 8.165 11.440 ( -3.758 0.099 0.997) 3.889 11.451 ( -5.045 0.293 0.905) 5.134 11.772 ( -1.099 1.322 0.585) 1.816 11.821 ( -4.728 -0.953 0.341) 4.835 12.908 ( 15.380 9.466 -0.196) 18.060 13.064 ( 8.467 -4.923 -0.415) 9.803 13.266 ( 1.594 -1.608 -0.032) 2.264 13.388 ( 0.589 -7.026 0.803) 7.096 13.594 ( 3.328 4.911 0.848) 5.993 13.740 ( 2.940 -6.046 -0.884) 6.781 13.877 ( 1.273 1.484 -0.414) 1.999 13.974 ( -3.462 -2.968 0.062) 4.560 14.289 ( -17.371 19.831 -0.214) 26.364 14.394 ( 0.334 3.343 -0.932) 3.487 14.517 ( -1.527 0.452 0.613) 1.706 14.845 ( -8.843 -20.760 0.596) 22.573 15.397 ( -4.317 -2.021 -0.195) 4.771 15.651 ( -4.487 0.042 1.944) 4.890 15.725 ( 0.306 -0.352 0.304) 0.557 15.851 ( -0.574 2.336 -1.344) 2.755 16.589 ( -2.119 -0.802 0.087) 2.268 16.717 ( 0.205 -0.387 -0.297) 0.529 16.738 ( -1.793 -0.050 0.369) 1.831 17.032 ( 2.855 2.610 -2.146) 4.423 19.304 ( 7.141 0.883 2.487) 7.613 19.472 ( 4.710 0.674 -2.961) 5.604 20.205 ( -3.249 7.372 2.034) 8.309 20.373 ( -1.492 -7.808 -1.359) 8.064 21.244 ( -1.602 0.760 9.489) 9.653 21.646 ( 2.519 0.271 -3.579) 4.385 23.084 ( 1.413 -3.720 2.903) 4.925 23.621 ( -0.462 0.534 -1.138) 1.339 26.729 ( 0.429 1.736 -0.366) 1.825 26.787 ( -0.471 -1.464 0.326) 1.572 29.106 ( -6.786 7.898 -1.108) 10.472 29.458 ( -9.983 -10.389 2.253) 14.583 29.992 ( -12.282 -3.075 5.444) 13.782 30.545 ( 6.748 5.200 -1.238) 8.609 30.690 ( 5.058 -8.295 -1.414) 9.817 30.960 ( 5.576 -2.359 -0.704) 6.095 30.975 ( 2.192 -0.289 -0.236) 2.223 31.768 ( -1.386 8.576 14.446) 16.857 32.267 ( -0.134 -0.345 1.580) 1.623 32.299 ( -1.798 -1.471 -0.291) 2.341 32.588 ( 0.376 -0.581 -1.705) 1.840 33.162 ( -0.684 4.892 -13.123) 14.022 33.532 ( -2.980 -3.589 4.674) 6.604 34.116 ( 5.108 1.372 -2.370) 5.795 35.573 ( -2.053 0.642 -5.936) 6.313 35.868 ( 1.845 -0.670 1.741) 2.623 36.158 ( -2.728 4.757 -27.613) 28.152 36.218 ( -2.156 0.461 5.006) 5.470 36.430 ( -2.916 -5.178 0.889) 6.008 36.814 ( 1.828 0.027 -3.357) 3.823 37.286 ( -3.508 -2.192 26.857) 27.173 38.848 ( 12.083 2.982 -5.283) 13.520 ======================= Grid point 135 (57/93) ======================= q-point: (-0.12 -0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.760 ( -13.671 -0.000 -1.196) 13.723 0.883 ( -28.391 -0.000 -3.071) 28.557 1.032 ( -16.707 -0.000 -6.256) 17.840 1.140 ( 2.072 0.000 3.049) 3.687 1.465 ( -40.517 -0.000 4.161) 40.730 2.547 ( -1.197 -0.000 -5.975) 6.094 2.636 ( -1.365 -0.000 -7.643) 7.764 2.799 ( 3.412 0.000 -5.147) 6.175 2.862 ( -10.781 -0.000 -3.491) 11.332 2.957 ( -8.306 -0.000 7.269) 11.038 3.092 ( -0.219 -0.000 0.458) 0.508 3.515 ( -6.076 -0.000 -0.902) 6.143 3.527 ( 0.135 0.000 1.584) 1.589 3.675 ( -14.298 -0.000 17.313) 22.454 3.677 ( 3.609 0.000 -11.479) 12.033 3.782 ( 6.178 0.000 2.520) 6.672 3.871 ( 8.020 0.000 9.400) 12.356 4.161 ( -3.082 -0.000 3.540) 4.693 4.229 ( 12.474 0.000 3.036) 12.838 4.469 ( 1.257 0.000 -1.803) 2.198 4.671 ( 12.201 0.000 6.809) 13.972 4.672 ( 2.682 0.000 2.790) 3.870 4.842 ( 3.605 0.000 -5.188) 6.318 4.901 ( 4.763 0.000 4.463) 6.527 4.930 ( -10.132 -0.000 4.712) 11.174 5.158 ( 8.021 0.000 0.880) 8.069 5.167 ( -2.811 -0.000 -13.595) 13.883 5.293 ( 10.217 0.000 -8.733) 13.441 5.489 ( -0.604 -0.000 -8.190) 8.213 5.607 ( 7.817 0.000 1.934) 8.053 5.716 ( 1.460 0.000 1.419) 2.036 5.755 ( 9.281 0.000 3.258) 9.836 6.302 ( 9.024 0.000 1.057) 9.085 6.454 ( 5.260 0.000 1.545) 5.482 6.832 ( 2.529 0.000 2.033) 3.245 6.967 ( 6.569 0.000 -0.372) 6.580 7.121 ( -1.869 -0.000 0.943) 2.093 7.137 ( -2.431 -0.000 -5.905) 6.386 7.741 ( -6.433 -0.000 2.119) 6.773 7.787 ( 0.734 0.000 -1.775) 1.921 8.860 ( 4.588 0.000 -1.519) 4.833 9.011 ( -1.395 -0.000 -0.066) 1.396 9.175 ( 4.500 0.000 -0.280) 4.509 9.322 ( -11.573 -0.000 -2.499) 11.840 9.457 ( -8.295 -0.000 0.711) 8.326 9.496 ( -14.034 -0.000 0.339) 14.038 9.770 ( 4.317 0.000 -2.964) 5.237 9.913 ( 5.644 0.000 2.880) 6.337 10.098 ( 0.198 0.000 -1.053) 1.071 10.180 ( 7.521 0.000 0.643) 7.548 10.387 ( -5.440 -0.000 1.673) 5.691 10.483 ( 11.081 0.000 -1.782) 11.223 11.359 ( -7.297 -0.000 1.096) 7.378 11.380 ( -5.028 -0.000 0.180) 5.031 11.729 ( -5.263 -0.000 0.600) 5.297 11.737 ( -4.274 -0.000 0.190) 4.278 13.148 ( 7.044 0.000 -0.892) 7.101 13.194 ( 9.604 0.000 0.141) 9.605 13.312 ( 4.167 0.000 -0.200) 4.172 13.333 ( -1.012 -0.000 0.979) 1.408 13.728 ( 2.916 0.000 -1.422) 3.244 13.763 ( 9.324 0.000 2.321) 9.609 13.900 ( -4.193 -0.000 -0.710) 4.252 13.933 ( 5.357 0.000 -0.346) 5.368 14.100 ( -17.537 -0.000 -1.889) 17.639 14.430 ( 1.539 0.000 -0.914) 1.790 14.492 ( -9.277 -0.000 0.128) 9.278 14.557 ( -3.195 -0.000 0.350) 3.214 15.347 ( -0.124 -0.000 0.326) 0.349 15.595 ( -3.370 -0.000 0.801) 3.464 15.725 ( -0.812 -0.000 1.503) 1.708 15.814 ( -4.352 -0.000 -1.226) 4.521 16.569 ( -0.211 -0.000 0.882) 0.907 16.695 ( -3.406 -0.000 -0.324) 3.422 16.705 ( -0.661 -0.000 -1.887) 1.999 17.054 ( -0.455 -0.000 -7.003) 7.018 19.444 ( 6.845 0.000 2.856) 7.417 19.539 ( 5.735 0.000 -4.051) 7.021 20.240 ( -1.518 -0.000 -4.015) 4.293 20.262 ( -2.641 -0.000 3.043) 4.029 21.304 ( 0.032 0.000 13.541) 13.542 21.662 ( 1.862 0.000 -3.410) 3.885 23.101 ( 1.079 0.000 3.488) 3.651 23.606 ( -0.393 -0.000 -2.163) 2.199 26.744 ( 0.540 0.000 -0.402) 0.674 26.773 ( -0.502 -0.000 0.337) 0.604 29.026 ( -6.596 -0.000 -0.618) 6.625 29.273 ( -7.180 -0.000 1.691) 7.377 29.760 ( -16.704 -0.000 4.210) 17.226 30.639 ( 3.502 0.000 -0.915) 3.619 30.749 ( 6.333 0.000 -1.405) 6.487 31.025 ( 4.113 0.000 0.061) 4.113 31.059 ( 9.897 0.000 -3.489) 10.494 31.891 ( -1.366 -0.000 8.112) 8.226 32.250 ( -2.559 -0.000 -0.294) 2.576 32.258 ( -1.544 -0.000 0.419) 1.600 32.570 ( -0.880 -0.000 -1.320) 1.586 32.968 ( -10.907 -0.000 -41.707) 43.110 33.503 ( -1.823 -0.000 5.648) 5.935 34.174 ( 3.317 0.000 -3.715) 4.980 35.529 ( -0.159 -0.000 -2.724) 2.728 35.892 ( 0.843 0.000 -0.067) 0.846 35.906 ( -7.454 -0.000 -25.863) 26.916 36.232 ( -1.509 -0.000 6.877) 7.041 36.359 ( -3.927 -0.000 3.502) 5.262 36.813 ( 1.005 0.000 -4.163) 4.283 37.540 ( 9.976 0.000 47.804) 48.834 39.033 ( 12.175 0.000 -4.844) 13.104 ======================= Grid point 136 (58/93) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.567 ( 14.809 0.000 6.343) 16.111 0.643 ( -5.331 -0.000 1.292) 5.486 1.092 ( 11.644 0.000 23.579) 26.297 1.435 ( 4.657 0.000 11.997) 12.869 1.626 ( -8.231 -0.000 -16.715) 18.631 1.854 ( -0.141 -0.000 6.285) 6.287 2.064 ( -2.465 -0.000 7.329) 7.733 2.488 ( -3.767 -0.000 -10.950) 11.579 2.814 ( 3.971 0.000 5.175) 6.523 3.023 ( 7.336 0.000 -14.068) 15.866 3.295 ( -7.935 -0.000 18.527) 20.154 3.441 ( 3.404 0.000 -3.291) 4.734 3.448 ( -3.114 -0.000 1.438) 3.430 3.590 ( 9.664 0.000 -2.615) 10.011 3.597 ( -7.957 -0.000 2.377) 8.305 3.800 ( -0.097 -0.000 -19.801) 19.801 4.117 ( -3.690 -0.000 10.980) 11.584 4.206 ( -0.202 -0.000 3.786) 3.792 4.481 ( -6.130 -0.000 2.537) 6.634 4.516 ( 7.050 0.000 0.694) 7.084 4.548 ( -10.076 -0.000 2.612) 10.409 4.650 ( 5.106 0.000 -7.921) 9.424 4.756 ( 1.529 0.000 1.328) 2.026 4.854 ( -0.814 -0.000 -5.880) 5.936 5.114 ( -2.321 -0.000 0.575) 2.392 5.141 ( 4.633 0.000 0.613) 4.674 5.342 ( -0.322 -0.000 0.713) 0.783 5.347 ( 3.370 0.000 1.318) 3.619 5.486 ( -2.856 -0.000 6.271) 6.891 5.649 ( 1.795 0.000 -8.438) 8.627 6.128 ( -3.172 -0.000 4.250) 5.303 6.202 ( 3.826 0.000 -2.584) 4.617 6.483 ( -6.191 -0.000 -0.129) 6.192 6.523 ( 6.002 0.000 -4.661) 7.599 7.003 ( 1.807 0.000 3.008) 3.509 7.069 ( 1.909 0.000 -3.064) 3.611 7.241 ( -7.759 -0.000 6.169) 9.913 7.348 ( 7.907 0.000 -3.563) 8.672 7.562 ( 0.825 0.000 2.853) 2.970 7.632 ( -0.538 -0.000 -4.125) 4.160 8.955 ( -2.159 -0.000 -0.254) 2.174 8.960 ( 2.608 0.000 -0.640) 2.685 9.073 ( 2.650 0.000 1.297) 2.950 9.100 ( -2.022 -0.000 -1.198) 2.350 9.295 ( 1.814 0.000 2.650) 3.211 9.349 ( -1.406 -0.000 -2.433) 2.810 9.870 ( -7.007 -0.000 -0.187) 7.010 9.883 ( 5.957 0.000 -1.557) 6.157 10.201 ( 3.631 0.000 2.699) 4.524 10.230 ( -5.448 -0.000 0.197) 5.451 10.533 ( 2.103 0.000 4.566) 5.027 10.627 ( -2.068 -0.000 -4.274) 4.748 11.173 ( -0.205 -0.000 1.888) 1.899 11.211 ( 0.824 0.000 -1.548) 1.754 11.600 ( -2.726 -0.000 -0.667) 2.807 11.603 ( 2.729 0.000 -0.843) 2.857 13.276 ( -0.875 -0.000 0.721) 1.134 13.292 ( 1.077 0.000 -0.696) 1.283 13.339 ( -0.133 -0.000 -0.158) 0.206 13.349 ( -0.367 -0.000 -1.191) 1.246 13.595 ( 7.877 0.000 0.793) 7.917 13.609 ( -13.691 -0.000 -0.350) 13.695 13.826 ( 2.215 0.000 1.420) 2.631 13.851 ( -2.574 -0.000 -0.854) 2.712 14.185 ( 0.033 0.000 0.866) 0.866 14.199 ( 1.571 0.000 -0.475) 1.641 14.339 ( -0.922 -0.000 1.523) 1.780 14.367 ( 0.204 0.000 -1.121) 1.139 15.365 ( -1.719 -0.000 1.604) 2.352 15.399 ( -0.100 -0.000 -1.626) 1.629 15.657 ( 0.672 0.000 0.278) 0.727 15.663 ( -0.344 -0.000 -0.353) 0.493 16.546 ( -4.030 -0.000 0.272) 4.039 16.569 ( 5.599 0.000 -1.756) 5.868 16.690 ( 3.745 0.000 1.423) 4.006 16.710 ( -3.954 -0.000 -0.493) 3.985 19.596 ( -3.361 -0.000 1.758) 3.793 19.634 ( 3.242 0.000 -1.879) 3.747 20.094 ( -5.298 -0.000 2.988) 6.083 20.158 ( 4.027 0.000 -3.064) 5.060 21.499 ( -5.224 -0.000 4.162) 6.679 21.590 ( 2.798 0.000 -4.402) 5.216 23.302 ( -0.967 -0.000 7.588) 7.649 23.455 ( 0.761 0.000 -6.825) 6.868 26.759 ( 0.502 0.000 0.062) 0.506 26.760 ( -0.493 -0.000 -0.060) 0.496 28.978 ( 1.536 0.000 3.149) 3.504 29.044 ( -2.095 -0.000 -3.078) 3.723 29.488 ( -0.921 -0.000 2.140) 2.330 29.539 ( -3.019 -0.000 -2.671) 4.031 30.758 ( 0.986 0.000 2.037) 2.263 30.797 ( -0.750 -0.000 -1.659) 1.820 31.192 ( 1.435 0.000 3.149) 3.460 31.265 ( -1.833 -0.000 -3.680) 4.111 32.195 ( -0.452 -0.000 0.633) 0.778 32.210 ( 0.524 0.000 -0.751) 0.916 32.528 ( 2.818 0.000 -0.313) 2.836 32.530 ( 0.127 0.000 -0.499) 0.514 33.753 ( -1.869 -0.000 11.519) 11.670 33.989 ( 1.430 0.000 -10.692) 10.787 35.668 ( 1.435 0.000 5.328) 5.518 35.782 ( -0.991 -0.000 -5.298) 5.389 36.125 ( 9.413 0.000 3.063) 9.899 36.196 ( -6.310 -0.000 -3.445) 7.189 36.450 ( -2.320 -0.000 9.497) 9.776 36.641 ( 2.244 0.000 -8.623) 8.911 39.141 ( -4.051 -0.000 3.446) 5.319 39.209 ( 3.459 0.000 -2.897) 4.512 ======================= Grid point 137 (59/93) ======================= q-point: ( 0.12 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.636 ( 1.196 -10.028 -7.761) 12.737 0.866 ( 11.831 -5.214 -0.652) 12.945 1.534 ( 18.330 -4.490 0.962) 18.896 1.562 ( 15.628 -2.609 -5.704) 16.840 1.661 ( 6.075 3.427 10.652) 12.732 1.764 ( 5.861 -1.068 -9.012) 10.803 2.299 ( 2.998 -11.331 18.389) 21.806 2.386 ( -3.710 -11.497 -12.063) 17.072 2.945 ( 8.619 -0.375 1.176) 8.707 3.026 ( 4.355 4.201 -10.857) 12.430 3.306 ( -1.935 -4.146 5.854) 7.430 3.424 ( -0.845 7.532 7.257) 10.494 3.441 ( 0.292 1.918 3.811) 4.276 3.578 ( -0.050 -5.104 -0.828) 5.171 3.687 ( 3.456 -0.344 -16.183) 16.551 3.731 ( 7.777 0.834 0.287) 7.827 4.099 ( -5.954 1.601 9.459) 11.291 4.280 ( 2.324 -5.424 3.691) 6.960 4.336 ( -10.361 1.141 -1.310) 10.506 4.469 ( -1.791 2.879 7.044) 7.818 4.583 ( -0.702 2.577 6.564) 7.087 4.722 ( 7.195 -0.693 -6.333) 9.610 4.760 ( -3.199 1.218 1.897) 3.914 4.836 ( -0.630 -5.300 -4.479) 6.967 5.070 ( -3.150 0.209 -1.404) 3.456 5.196 ( 3.194 -0.175 -1.551) 3.555 5.284 ( -8.153 -0.758 0.052) 8.188 5.365 ( -6.121 2.250 -3.104) 7.223 5.409 ( -3.258 0.181 6.305) 7.099 5.537 ( -5.809 1.711 -7.106) 9.336 5.954 ( -13.803 6.619 -0.616) 15.321 6.076 ( -8.570 6.510 0.784) 10.790 6.408 ( -2.749 1.283 0.544) 3.082 6.569 ( 0.447 0.370 -2.679) 2.741 6.918 ( -8.447 7.797 -0.963) 11.536 6.991 ( -0.298 3.450 -2.128) 4.064 7.105 ( -15.053 -4.619 5.266) 16.603 7.393 ( 0.599 -2.129 -2.859) 3.615 7.621 ( 5.061 3.943 2.274) 6.807 7.660 ( 6.641 2.276 -3.251) 7.736 8.893 ( -3.012 3.632 -1.236) 4.878 8.971 ( 0.237 0.997 0.419) 1.107 9.135 ( 7.514 3.825 -0.892) 8.479 9.237 ( 14.922 -2.058 0.684) 15.079 9.326 ( -1.105 -2.108 -2.481) 3.438 9.368 ( 3.756 -2.424 1.225) 4.635 9.756 ( -5.401 2.020 0.696) 5.808 9.952 ( 4.622 1.178 -0.869) 4.848 10.118 ( -6.350 2.538 -0.005) 6.838 10.256 ( 0.777 -0.958 3.154) 3.386 10.523 ( -8.220 -2.714 -0.106) 8.657 10.549 ( -5.432 -4.027 -0.748) 6.803 11.238 ( 6.923 2.107 1.005) 7.306 11.295 ( 7.572 -0.679 -0.962) 7.663 11.588 ( 3.201 0.542 0.124) 3.249 11.648 ( 4.530 2.600 -0.085) 5.223 13.217 ( -5.726 0.803 -0.551) 5.808 13.253 ( -1.231 -2.084 0.849) 2.565 13.294 ( -4.506 4.712 0.352) 6.529 13.396 ( 2.503 -3.138 -0.250) 4.022 13.612 ( 10.262 6.719 0.146) 12.266 13.763 ( -5.599 4.091 -0.452) 6.949 13.864 ( 1.433 -0.339 1.378) 2.016 13.964 ( 24.453 -10.535 2.158) 26.713 14.023 ( -8.846 1.768 -0.745) 9.052 14.167 ( -8.558 -9.442 -0.535) 12.755 14.471 ( 4.755 -7.860 -0.916) 9.232 14.551 ( 5.565 -16.779 1.243) 17.722 15.357 ( -0.653 -1.141 1.307) 1.854 15.384 ( 0.070 -1.355 0.610) 1.488 15.693 ( 4.048 1.290 -0.003) 4.249 15.725 ( 5.738 -0.224 -0.190) 5.745 16.512 ( -0.490 -0.766 0.318) 0.963 16.631 ( 0.712 -0.419 -1.967) 2.134 16.700 ( 5.046 -1.266 -2.487) 5.766 16.765 ( 3.900 -0.058 1.673) 4.244 19.490 ( -7.852 3.987 1.379) 8.914 19.615 ( -2.081 2.331 -1.319) 3.391 20.067 ( -2.304 -1.850 3.367) 4.480 20.239 ( 5.847 -3.074 -2.227) 6.971 21.434 ( -5.125 2.174 7.081) 9.007 21.594 ( 2.253 2.241 -3.903) 5.033 23.318 ( -1.812 2.350 7.403) 7.976 23.431 ( 1.277 -1.638 -6.369) 6.699 26.746 ( -0.881 0.691 -0.099) 1.124 26.771 ( 0.603 -0.840 0.070) 1.036 29.011 ( -0.528 -0.601 -0.304) 0.856 29.219 ( 6.566 -19.872 0.231) 20.930 29.638 ( 17.827 -0.119 6.871) 19.106 29.730 ( 21.946 -5.654 -4.188) 23.046 30.752 ( -3.103 0.606 -0.864) 3.278 30.787 ( -0.070 -1.708 0.700) 1.847 31.176 ( -5.483 0.375 -0.979) 5.582 31.220 ( -2.459 -3.126 1.527) 4.261 32.217 ( 2.044 -0.525 0.411) 2.150 32.228 ( 1.493 -0.789 -0.366) 1.728 32.541 ( 1.683 -0.256 -1.489) 2.261 32.592 ( 5.670 -1.483 -3.565) 6.860 33.786 ( -2.711 0.505 11.620) 11.943 33.935 ( 0.794 0.720 -10.600) 10.654 35.729 ( 0.997 -0.138 2.518) 2.712 35.731 ( -0.562 -0.403 -3.234) 3.307 36.080 ( -5.476 -1.942 -6.051) 8.389 36.282 ( 7.669 -0.871 1.801) 7.926 36.469 ( -2.291 0.320 8.818) 9.117 36.624 ( 2.410 -0.193 -8.743) 9.071 38.888 ( -20.075 12.056 10.604) 25.707 39.090 ( -8.836 8.406 -6.844) 13.985 ======================= Grid point 138 (60/93) ======================= q-point: ( 0.25 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.760 ( 5.626 -10.626 -6.598) 13.715 1.015 ( 3.434 -1.819 -0.897) 3.988 1.545 ( 3.370 2.991 -20.746) 21.230 1.736 ( 2.925 7.346 16.676) 18.456 1.891 ( 23.554 -7.406 -14.258) 28.512 2.161 ( 11.074 -14.128 2.066) 18.070 2.297 ( 4.310 -10.398 -8.170) 13.908 2.675 ( 2.120 -8.849 17.706) 19.907 3.018 ( 5.925 -1.284 -1.479) 6.240 3.106 ( 11.563 0.185 -2.886) 11.919 3.265 ( -5.468 4.345 -1.013) 7.058 3.342 ( -3.806 6.257 3.480) 8.108 3.508 ( 2.408 0.933 3.556) 4.395 3.649 ( 8.213 0.031 -3.051) 8.762 3.728 ( 2.859 -7.443 -9.185) 12.163 3.795 ( -0.254 -3.303 0.164) 3.317 4.021 ( -4.199 4.823 3.842) 7.460 4.156 ( -7.144 5.163 0.254) 8.818 4.335 ( -4.266 4.583 4.343) 7.620 4.466 ( -5.147 -1.039 8.754) 10.208 4.581 ( -4.464 4.578 7.459) 9.824 4.662 ( -3.484 1.066 4.933) 6.133 4.766 ( 0.806 -4.178 -1.348) 4.463 4.847 ( -0.154 -4.214 -2.932) 5.136 4.998 ( -0.927 0.536 -5.314) 5.420 5.131 ( -10.156 1.426 6.561) 12.175 5.174 ( -8.052 1.261 -0.269) 8.155 5.286 ( 5.155 -2.163 -5.330) 7.724 5.349 ( -8.165 1.727 -7.070) 10.938 5.449 ( 0.728 -2.506 -3.667) 4.500 5.731 ( -4.836 0.217 1.122) 4.969 5.886 ( -8.313 4.940 1.281) 9.755 6.350 ( -1.933 3.894 -0.363) 4.363 6.475 ( -7.090 1.943 -2.278) 7.696 6.700 ( -7.559 4.290 -0.217) 8.694 6.940 ( -13.905 -4.513 3.868) 15.122 7.025 ( 4.881 -0.375 1.247) 5.052 7.400 ( 2.305 0.531 -5.721) 6.191 7.629 ( 0.765 7.240 1.060) 7.357 7.730 ( 7.486 3.531 -0.427) 8.288 8.803 ( -0.824 4.565 -1.902) 5.014 8.981 ( -0.065 -1.367 1.570) 2.083 9.168 ( 1.023 5.494 1.086) 5.693 9.302 ( -0.924 -1.839 -4.163) 4.644 9.473 ( 10.083 1.240 -0.725) 10.184 9.524 ( 13.187 -1.275 0.976) 13.284 9.699 ( -0.486 0.029 0.439) 0.656 9.993 ( -1.140 -1.272 1.823) 2.498 10.017 ( 1.518 4.710 -2.720) 5.647 10.264 ( -3.863 -1.627 0.557) 4.228 10.400 ( -11.145 -4.309 0.485) 11.959 10.511 ( -3.422 -5.836 -0.190) 6.768 11.348 ( 8.205 2.032 0.946) 8.505 11.387 ( 5.719 1.958 -0.109) 6.046 11.681 ( 4.586 0.438 1.104) 4.737 11.710 ( 7.631 1.247 0.248) 7.736 13.048 ( -13.471 7.489 0.026) 15.413 13.154 ( -4.625 1.789 0.089) 4.959 13.293 ( 0.802 -4.145 0.928) 4.323 13.477 ( 2.049 -5.352 -0.116) 5.732 13.590 ( -6.137 5.606 -0.005) 8.312 13.714 ( 13.034 13.138 0.106) 18.507 13.878 ( -0.626 0.025 -1.065) 1.236 13.961 ( 0.163 -2.435 0.954) 2.620 14.113 ( -11.345 -12.702 -0.782) 17.049 14.347 ( 9.774 -2.595 0.638) 10.133 14.546 ( -1.178 -4.828 -2.208) 5.438 14.866 ( 6.887 -20.611 2.361) 21.860 15.398 ( 2.540 -3.964 -0.375) 4.723 15.473 ( 5.495 -3.269 3.126) 7.117 15.738 ( 3.205 2.306 0.532) 3.985 15.794 ( 2.693 0.724 -0.443) 2.824 16.542 ( 2.493 -0.097 0.411) 2.528 16.647 ( 1.570 -2.438 -0.457) 2.935 16.782 ( 4.383 -0.496 -2.711) 5.178 16.827 ( 2.997 0.422 0.943) 3.170 19.327 ( -6.378 5.280 1.612) 8.436 19.527 ( -4.391 2.274 -1.354) 5.127 20.083 ( -0.885 -2.105 2.894) 3.687 20.359 ( 5.331 -4.065 -1.346) 6.838 21.387 ( -3.894 2.228 8.159) 9.311 21.573 ( 2.164 3.179 -4.766) 6.124 23.298 ( -1.304 3.701 5.653) 6.881 23.459 ( 1.690 -4.206 -3.632) 5.809 26.720 ( -1.006 1.145 -0.127) 1.529 26.794 ( 0.715 -1.228 0.026) 1.421 29.007 ( -0.028 0.325 0.187) 0.376 29.467 ( 4.811 -12.488 -0.232) 13.384 30.121 ( 23.676 -7.762 9.405) 26.632 30.154 ( 21.841 -6.063 1.406) 22.710 30.661 ( -6.510 0.704 -0.695) 6.584 30.809 ( 0.187 -1.371 0.802) 1.599 31.074 ( -5.444 -0.040 -0.693) 5.488 31.245 ( -0.711 -5.026 3.990) 6.457 32.248 ( 0.785 -0.848 0.856) 1.438 32.277 ( 2.531 -1.258 0.332) 2.846 32.560 ( 2.552 0.679 -2.628) 3.726 32.692 ( 6.672 -3.726 -5.602) 9.475 33.800 ( -2.935 1.049 9.985) 10.460 33.880 ( 1.009 0.457 -8.637) 8.708 35.662 ( -2.961 -0.534 -6.168) 6.863 35.794 ( 2.039 -0.143 4.313) 4.773 35.989 ( -3.273 -3.241 -8.976) 10.088 36.405 ( 3.431 -0.849 4.867) 6.015 36.480 ( -0.416 1.008 4.749) 4.872 36.623 ( 3.205 -1.188 -7.568) 8.305 38.486 ( -20.767 15.633 12.379) 28.790 38.752 ( -11.701 8.288 -11.575) 18.428 ======================= Grid point 139 (61/93) ======================= q-point: ( 0.38 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( 4.714 -2.595 -3.475) 6.405 1.018 ( -1.764 -0.245 -0.726) 1.923 1.530 ( 7.765 -0.381 -5.110) 9.303 1.803 ( 4.634 -0.080 1.371) 4.833 2.116 ( 4.425 -9.736 -14.685) 18.166 2.306 ( 3.691 -4.972 -7.580) 9.788 2.627 ( 11.529 -8.045 9.219) 16.812 2.769 ( -0.584 1.123 10.707) 10.782 3.040 ( -9.279 10.055 -3.542) 14.133 3.131 ( -2.719 0.427 11.140) 11.475 3.272 ( 10.295 0.635 -5.010) 11.467 3.316 ( 5.345 -1.255 -0.536) 5.516 3.508 ( -1.122 -2.594 -5.493) 6.177 3.659 ( -2.650 7.592 -2.862) 8.535 3.737 ( -4.935 -6.939 2.698) 8.932 3.900 ( 7.419 0.794 -3.205) 8.120 3.925 ( -4.160 2.895 -0.658) 5.111 4.064 ( 5.841 2.378 -2.836) 6.915 4.163 ( -9.477 3.382 7.270) 12.414 4.398 ( -6.311 0.644 5.290) 8.260 4.476 ( -7.404 2.754 4.914) 9.303 4.700 ( 2.553 -1.725 -1.098) 3.271 4.857 ( -0.385 -2.527 -2.274) 3.422 4.902 ( 2.942 -1.707 3.342) 4.768 4.958 ( -7.179 1.159 0.623) 7.298 5.029 ( -1.829 -2.148 -1.548) 3.218 5.063 ( 0.243 1.336 6.692) 6.828 5.170 ( -5.231 -3.030 -2.701) 6.621 5.390 ( 5.077 -4.044 -4.983) 8.183 5.453 ( -1.639 -0.945 -1.373) 2.337 5.702 ( -6.259 3.259 -2.053) 7.350 5.805 ( 2.957 -4.953 2.880) 6.448 6.254 ( -2.618 6.873 -1.235) 7.458 6.332 ( -5.001 2.151 -2.089) 5.831 6.609 ( -3.064 -0.855 1.349) 3.455 6.821 ( -7.291 -2.652 2.052) 8.025 7.118 ( 3.146 -0.766 3.973) 5.125 7.382 ( 2.082 1.960 -7.545) 8.068 7.542 ( -1.869 6.754 0.786) 7.051 7.807 ( 5.438 1.978 -0.055) 5.786 8.759 ( 0.904 2.377 -2.110) 3.304 8.961 ( -4.821 1.402 2.627) 5.666 9.152 ( 2.838 -0.504 -1.112) 3.089 9.291 ( 0.673 0.406 -2.134) 2.274 9.577 ( 7.708 3.833 -0.929) 8.658 9.696 ( -2.085 -1.186 0.113) 2.402 9.731 ( 10.865 0.366 0.170) 10.873 9.997 ( 1.343 2.602 -2.367) 3.766 10.003 ( -0.366 -1.574 2.238) 2.761 10.191 ( -5.239 -0.743 -0.581) 5.323 10.255 ( -11.642 -2.906 1.221) 12.061 10.575 ( 2.442 -5.817 -0.263) 6.315 11.456 ( 5.422 0.745 1.149) 5.592 11.467 ( 6.289 0.637 -0.042) 6.321 11.724 ( 2.620 1.907 0.970) 3.383 11.826 ( 5.091 -0.399 0.117) 5.108 12.720 ( -14.744 7.493 0.199) 16.541 13.096 ( -1.588 0.684 -0.019) 1.729 13.352 ( -0.663 -5.805 0.292) 5.850 13.461 ( -2.557 5.799 0.189) 6.341 13.552 ( 1.580 -3.282 -0.110) 3.644 13.788 ( 10.580 10.240 0.057) 14.724 13.858 ( 0.906 1.774 -1.831) 2.705 13.998 ( -4.966 -6.374 0.034) 8.080 14.085 ( -3.133 -8.230 0.938) 8.856 14.390 ( -2.643 -0.755 -0.193) 2.755 14.547 ( -1.755 -1.294 0.200) 2.190 15.133 ( 6.234 -8.503 -0.473) 10.555 15.499 ( 3.128 -5.735 -0.629) 6.562 15.605 ( 4.264 -2.538 1.683) 5.240 15.749 ( 0.852 2.770 1.008) 3.068 15.794 ( -0.816 0.791 -0.407) 1.207 16.593 ( 3.278 -1.238 -0.219) 3.511 16.700 ( 1.106 -1.434 0.063) 1.812 16.798 ( -0.207 1.693 1.263) 2.123 16.867 ( 2.616 -0.225 -2.399) 3.557 19.227 ( -1.818 3.539 1.995) 4.451 19.431 ( -3.837 1.055 -1.562) 4.275 20.110 ( -0.359 -1.735 2.238) 2.854 20.454 ( 3.123 -2.331 -1.119) 4.054 21.364 ( -2.999 1.386 7.943) 8.603 21.549 ( 2.302 2.188 -5.528) 6.375 23.284 ( -0.133 3.338 4.993) 6.007 23.504 ( 0.765 -4.198 -2.746) 5.075 26.694 ( -0.670 0.836 -0.115) 1.078 26.815 ( 0.490 -0.843 -0.038) 0.975 29.006 ( 0.213 0.537 0.469) 0.744 29.647 ( 5.898 -6.155 -0.574) 8.544 30.429 ( -3.248 -3.266 6.396) 7.882 30.507 ( 15.272 0.965 -0.459) 15.309 30.592 ( 1.866 -4.531 2.741) 5.615 30.826 ( 0.302 -0.219 0.697) 0.791 31.006 ( -2.649 0.178 -0.179) 2.661 31.361 ( 3.478 -4.276 7.672) 9.447 32.281 ( 0.513 -1.395 2.651) 3.039 32.323 ( 1.502 -0.645 0.457) 1.697 32.578 ( 3.083 1.765 -1.754) 3.962 32.790 ( 4.026 -5.454 -7.211) 9.898 33.804 ( -2.836 1.052 9.090) 9.581 33.857 ( 2.690 -0.429 -7.235) 7.731 35.578 ( -3.187 -0.524 -5.538) 6.411 35.846 ( 1.546 -0.069 2.725) 3.134 35.924 ( -1.778 -3.087 -10.200) 10.804 36.440 ( -2.759 1.843 9.164) 9.746 36.522 ( 2.927 -0.791 0.134) 3.035 36.655 ( 4.100 -1.394 -6.195) 7.559 38.093 ( -15.293 14.196 6.781) 21.940 38.500 ( -5.233 1.661 -7.543) 9.330 ======================= Grid point 140 (62/93) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.908 ( 1.416 0.682 -3.390) 3.737 1.024 ( 1.535 -0.248 -1.028) 1.864 1.687 ( 6.563 -1.120 4.204) 7.874 1.873 ( 0.786 -1.002 -10.014) 10.094 2.106 ( -4.754 -0.284 -3.942) 6.182 2.197 ( -6.076 3.065 -2.693) 7.319 2.757 ( -3.081 -0.164 2.647) 4.066 2.825 ( -2.664 -2.391 6.614) 7.520 2.949 ( 5.750 1.845 0.037) 6.039 3.149 ( -1.717 0.610 14.339) 14.454 3.316 ( 2.453 6.215 -3.592) 7.586 3.423 ( 0.249 -4.407 0.785) 4.484 3.456 ( 0.756 0.458 -6.436) 6.497 3.514 ( -0.900 -2.141 -8.382) 8.698 3.768 ( -2.288 -5.278 3.318) 6.641 3.833 ( -1.141 2.941 1.294) 3.410 3.929 ( 2.617 8.264 -1.227) 8.755 4.060 ( -6.815 2.814 7.925) 10.824 4.252 ( 14.242 -2.811 -2.956) 14.815 4.333 ( -5.328 1.858 -0.127) 5.644 4.405 ( 1.155 -7.893 -2.521) 8.366 4.707 ( -6.991 0.059 5.236) 8.735 4.774 ( -5.295 0.559 0.910) 5.402 4.883 ( -1.250 -0.265 1.780) 2.191 4.933 ( 8.809 4.706 -5.041) 11.187 5.029 ( -1.209 -2.165 2.785) 3.729 5.181 ( -0.589 -1.667 1.603) 2.387 5.248 ( 6.729 -3.049 -1.282) 7.498 5.393 ( -0.613 -0.810 1.436) 1.759 5.465 ( 0.776 -2.288 -0.105) 2.418 5.541 ( -4.727 5.028 -3.987) 7.969 5.926 ( 1.850 -2.021 0.778) 2.848 6.147 ( -0.560 3.023 -0.867) 3.195 6.269 ( 0.147 0.715 -1.056) 1.284 6.603 ( -1.699 -3.208 1.177) 3.816 6.797 ( 1.221 -1.370 -0.554) 1.917 7.180 ( -0.143 -0.375 6.436) 6.449 7.326 ( -0.133 3.116 -7.438) 8.065 7.491 ( -0.163 -0.020 0.829) 0.845 7.846 ( 0.137 -0.152 -0.262) 0.333 8.743 ( 0.229 0.527 -1.593) 1.694 8.922 ( 2.455 0.540 0.115) 2.516 9.190 ( 0.012 1.002 -0.441) 1.095 9.287 ( -0.144 -1.920 -1.651) 2.536 9.644 ( 1.513 0.787 -1.280) 2.132 9.661 ( -0.480 -0.131 -0.275) 0.568 9.812 ( 0.205 0.383 -0.054) 0.437 9.985 ( -3.783 -0.579 0.656) 3.883 10.035 ( -0.668 -1.617 1.407) 2.245 10.126 ( -0.555 -1.097 1.974) 2.326 10.165 ( 1.318 2.827 -0.609) 3.179 10.640 ( 0.879 -0.986 -1.351) 1.890 11.501 ( -0.575 -0.145 1.185) 1.324 11.529 ( -0.062 0.371 0.066) 0.382 11.748 ( 0.852 0.267 0.376) 0.969 11.867 ( 0.336 0.076 -0.309) 0.462 12.541 ( 0.180 0.030 0.064) 0.193 13.082 ( 0.225 0.064 -0.139) 0.272 13.385 ( -0.058 0.950 0.177) 0.968 13.402 ( -0.221 -1.054 0.146) 1.086 13.583 ( -0.025 -0.243 -0.139) 0.281 13.817 ( 0.291 0.722 -0.456) 0.902 13.861 ( 0.438 0.847 -0.458) 1.057 13.963 ( -0.825 -0.789 -0.495) 1.245 14.134 ( -0.250 -0.833 1.087) 1.392 14.359 ( -0.444 0.253 0.337) 0.612 14.536 ( 0.252 -0.065 0.203) 0.330 15.222 ( -0.155 0.156 -0.522) 0.567 15.560 ( 0.605 0.761 -0.613) 1.149 15.662 ( 0.058 -0.815 -0.213) 0.844 15.747 ( 0.063 -0.809 0.798) 1.138 15.769 ( -0.505 0.780 0.598) 1.105 16.665 ( 3.131 -1.978 -0.009) 3.703 16.675 ( -2.746 1.998 -0.931) 3.522 16.795 ( -0.698 0.347 2.437) 2.559 16.883 ( 0.831 -1.076 -3.063) 3.351 19.217 ( 1.575 0.288 0.857) 1.816 19.381 ( -0.600 -0.475 -1.281) 1.492 20.130 ( -0.466 -1.169 1.329) 1.831 20.488 ( 0.974 0.709 -1.177) 1.685 21.364 ( -2.366 -0.447 7.539) 7.914 21.535 ( 2.143 0.671 -5.779) 6.200 23.285 ( 0.698 3.396 4.501) 5.681 23.527 ( -0.465 -3.184 -2.943) 4.361 26.684 ( -0.016 -0.049 -0.088) 0.102 26.823 ( -0.032 -0.015 -0.034) 0.049 29.009 ( 0.170 0.023 0.298) 0.344 29.732 ( -0.175 0.123 -0.432) 0.482 30.378 ( -7.318 -6.632 2.842) 10.277 30.537 ( -2.918 10.229 10.559) 14.988 30.773 ( 10.610 2.646 -5.884) 12.418 30.848 ( 3.318 -3.282 -3.188) 5.652 30.983 ( 0.706 1.129 -0.139) 1.339 31.486 ( 1.034 -5.757 3.483) 6.808 32.313 ( 0.141 -0.292 2.325) 2.348 32.342 ( -0.008 -0.256 0.545) 0.602 32.599 ( 1.796 1.553 0.198) 2.382 32.823 ( 0.007 -3.923 -8.726) 9.567 33.775 ( -4.528 2.311 6.482) 8.238 33.903 ( 5.300 -2.432 -5.374) 7.930 35.516 ( -1.445 -0.325 -3.012) 3.357 35.860 ( -1.733 -1.723 -7.373) 7.768 35.880 ( 0.816 0.119 0.364) 0.901 36.430 ( -2.729 1.862 8.280) 8.914 36.556 ( -0.104 0.132 1.464) 1.473 36.688 ( 3.469 -0.515 -6.715) 7.576 37.846 ( -7.659 7.803 11.558) 15.910 38.452 ( 3.223 -4.010 -7.607) 9.183 ======================= Grid point 141 (63/93) ======================= q-point: (-0.38 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.892 ( -2.686 1.941 -3.682) 4.954 1.035 ( 3.343 0.728 -2.187) 4.061 1.488 ( -17.597 13.128 -2.208) 22.065 1.822 ( -8.367 13.123 5.188) 16.405 1.955 ( 3.596 -8.325 -5.895) 10.816 2.198 ( -6.166 5.350 4.126) 9.147 2.742 ( -4.613 1.344 -1.027) 4.914 2.826 ( -3.445 -1.983 11.540) 12.205 2.944 ( -1.841 -4.651 -2.646) 5.659 3.159 ( -7.450 0.443 5.389) 9.205 3.235 ( 0.600 7.621 0.785) 7.685 3.371 ( 0.302 1.268 -8.099) 8.203 3.573 ( 6.931 -6.061 -5.597) 10.775 3.592 ( 3.885 -9.798 -0.630) 10.559 3.738 ( -6.171 8.612 4.075) 11.352 3.846 ( -4.484 -6.930 4.681) 9.489 3.878 ( 5.522 4.176 -0.147) 6.925 3.992 ( 1.881 1.965 1.659) 3.186 4.281 ( -0.744 -2.406 0.197) 2.526 4.513 ( 12.321 -1.146 1.781) 12.502 4.544 ( 8.463 -7.923 -6.155) 13.126 4.621 ( -8.147 -4.321 5.733) 10.859 4.709 ( -0.036 6.012 4.580) 7.558 4.920 ( 3.978 2.511 2.358) 5.262 4.992 ( 4.605 4.967 -1.248) 6.887 5.080 ( 5.285 0.270 -0.008) 5.291 5.128 ( -4.027 0.856 -4.237) 5.907 5.221 ( -1.458 -2.005 -5.950) 6.446 5.370 ( -4.844 5.564 -4.244) 8.511 5.447 ( 1.480 -0.229 -0.842) 1.718 5.623 ( 8.842 -4.375 6.144) 11.622 5.864 ( -2.663 5.798 -2.336) 6.795 6.215 ( 4.349 -4.118 2.027) 6.323 6.307 ( 4.690 -1.017 0.257) 4.806 6.631 ( 0.275 -4.792 -1.011) 4.905 6.874 ( 7.993 0.012 -1.962) 8.230 7.208 ( -2.552 0.507 6.200) 6.724 7.222 ( -2.711 3.241 -4.043) 5.848 7.547 ( 1.588 -6.857 0.457) 7.053 7.815 ( -4.775 -2.526 -0.668) 5.443 8.741 ( 0.213 -1.398 -0.614) 1.541 9.030 ( 9.641 -0.633 -2.954) 10.103 9.127 ( -3.007 2.902 0.988) 4.294 9.284 ( -3.463 -3.564 -1.887) 5.316 9.572 ( -7.408 -3.702 -0.627) 8.306 9.695 ( -2.609 0.793 -0.035) 2.728 9.735 ( -5.029 0.854 0.183) 5.104 9.941 ( -2.361 -1.755 2.596) 3.924 10.038 ( 0.201 0.158 -0.747) 0.789 10.142 ( 1.566 0.449 3.139) 3.537 10.272 ( 11.587 3.448 -0.056) 12.089 10.605 ( -0.896 4.102 -2.485) 4.879 11.455 ( -6.330 -1.197 1.019) 6.522 11.462 ( -6.082 0.260 0.452) 6.104 11.743 ( -2.036 -1.715 -0.681) 2.747 11.834 ( -3.873 0.754 -0.548) 3.984 12.725 ( 15.098 -7.485 -0.254) 16.853 13.100 ( 1.979 -0.579 -0.357) 2.092 13.353 ( 1.173 5.849 0.256) 5.971 13.459 ( 1.746 -5.555 0.361) 5.834 13.556 ( -1.602 2.060 -0.435) 2.646 13.792 ( -8.859 -8.146 -0.334) 12.040 13.830 ( -2.510 -2.485 0.664) 3.594 13.998 ( 8.206 8.266 -0.233) 11.649 14.095 ( -0.917 4.824 0.255) 4.917 14.377 ( 2.252 1.074 0.899) 2.652 14.553 ( 1.471 1.777 -0.318) 2.329 15.128 ( -5.639 7.290 -0.044) 9.217 15.495 ( -2.193 7.188 -0.206) 7.518 15.638 ( -2.561 0.183 -1.355) 2.904 15.760 ( -1.180 -2.562 0.723) 2.911 15.780 ( 0.771 -0.017 0.301) 0.828 16.601 ( -2.677 1.408 -0.977) 3.178 16.707 ( 0.272 0.141 -0.431) 0.529 16.778 ( -2.612 0.741 2.109) 3.438 16.888 ( -0.541 -3.357 -3.242) 4.698 19.273 ( 3.596 -3.450 -1.668) 5.255 19.409 ( 3.312 -1.304 -0.001) 3.560 20.134 ( -0.631 -0.606 0.208) 0.899 20.458 ( -0.885 3.655 -1.567) 4.074 21.392 ( -2.016 -2.785 7.683) 8.417 21.532 ( 2.188 -0.688 -6.146) 6.560 23.290 ( 1.079 3.945 4.248) 5.897 23.519 ( -1.197 -2.304 -3.752) 4.562 26.694 ( 0.645 -0.926 -0.065) 1.131 26.814 ( -0.559 0.758 0.033) 0.943 29.013 ( 0.146 -0.166 -0.133) 0.257 29.637 ( -6.097 6.071 0.253) 8.607 30.264 ( -21.435 -1.554 10.590) 23.958 30.513 ( 10.287 7.477 0.429) 12.724 30.794 ( 3.395 5.263 -2.548) 6.761 30.925 ( 6.029 -0.022 -9.614) 11.348 31.004 ( 4.520 2.832 -0.707) 5.380 31.542 ( -4.023 -9.729 -7.025) 12.656 32.314 ( -0.598 1.366 0.724) 1.657 32.333 ( -1.589 -0.010 -0.279) 1.614 32.585 ( -3.068 -0.715 -1.523) 3.499 32.758 ( -2.263 2.499 -7.904) 8.593 33.710 ( -4.577 2.443 5.778) 7.765 33.975 ( 4.589 -2.668 -6.516) 8.404 35.507 ( 0.979 -0.012 0.846) 1.294 35.809 ( -1.433 0.031 -1.264) 1.911 35.887 ( 0.303 0.347 -0.978) 1.081 36.420 ( -3.111 1.214 8.652) 9.274 36.529 ( -2.360 2.490 0.730) 3.508 36.690 ( 2.028 -0.310 -7.804) 8.070 37.864 ( 1.657 -1.551 22.368) 22.483 38.573 ( 10.328 -7.717 -9.145) 15.807 ======================= Grid point 142 (64/93) ======================= q-point: (-0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.712 ( -7.957 9.876 -3.528) 13.165 1.005 ( -6.884 9.596 -0.716) 11.831 1.184 ( -8.370 -0.980 11.971) 14.639 1.546 ( -16.258 14.209 16.741) 27.322 1.877 ( -17.108 18.574 15.183) 29.466 2.099 ( 5.602 -11.959 -16.638) 21.242 2.508 ( -13.104 6.176 -12.927) 19.416 2.781 ( -6.464 1.293 5.353) 8.492 3.003 ( -10.352 9.421 3.189) 14.356 3.092 ( 1.111 -10.220 10.956) 15.024 3.138 ( 1.449 8.210 -9.658) 12.758 3.364 ( 1.918 -2.987 -1.238) 3.759 3.542 ( -7.390 6.374 4.151) 10.605 3.611 ( -3.789 0.071 0.739) 3.861 3.776 ( 5.241 -15.135 -12.026) 20.030 3.814 ( -0.872 2.430 -0.479) 2.626 4.020 ( 4.112 -3.276 5.615) 7.692 4.090 ( 4.451 -2.963 3.432) 6.354 4.349 ( 3.390 -0.766 6.940) 7.762 4.531 ( -3.438 -0.053 2.000) 3.978 4.684 ( 4.816 -4.647 1.039) 6.773 4.704 ( 5.572 3.941 -1.733) 7.042 4.814 ( 11.681 -1.137 -2.392) 11.978 4.916 ( -4.431 2.534 -11.098) 12.216 4.952 ( -0.747 5.021 -1.588) 5.319 5.069 ( 6.356 -2.594 9.351) 11.600 5.186 ( -3.549 2.005 0.336) 4.090 5.214 ( 7.771 -0.612 2.659) 8.236 5.281 ( 2.749 -1.219 -6.093) 6.794 5.484 ( 5.070 -2.085 -4.485) 7.083 5.766 ( 0.446 1.619 -1.466) 2.230 5.856 ( 9.777 -2.374 4.294) 10.939 6.331 ( 5.477 -1.349 1.312) 5.791 6.437 ( 6.887 -3.508 1.481) 7.870 6.710 ( 3.761 -6.636 -1.173) 7.717 7.014 ( 13.041 3.310 -2.632) 13.710 7.077 ( -4.814 3.347 -3.780) 6.976 7.233 ( -1.825 0.123 8.705) 8.895 7.644 ( -0.324 -7.684 -0.126) 7.691 7.744 ( -7.297 -3.816 -1.426) 8.357 8.784 ( 2.366 -3.924 -0.289) 4.591 9.020 ( -2.205 1.542 -1.713) 3.190 9.210 ( 5.870 -1.250 -2.104) 6.360 9.222 ( -6.127 -1.805 2.277) 6.781 9.461 ( -10.181 -0.586 0.287) 10.202 9.526 ( -11.346 0.196 0.572) 11.362 9.729 ( 1.377 0.914 -2.188) 2.742 9.947 ( -1.632 -4.779 3.435) 6.107 10.039 ( 1.668 1.146 -2.147) 2.951 10.226 ( 6.118 0.988 3.157) 6.955 10.388 ( 5.038 2.664 1.201) 5.824 10.555 ( 5.513 6.030 -3.004) 8.705 11.356 ( -8.573 -1.780 0.442) 8.767 11.375 ( -5.870 -1.782 0.660) 6.170 11.707 ( -4.413 -2.194 -0.646) 4.970 11.730 ( -6.554 0.927 -1.810) 6.863 13.058 ( 13.793 -7.342 -0.790) 15.645 13.159 ( 4.767 -1.875 -0.310) 5.132 13.310 ( 0.189 4.228 -0.523) 4.264 13.470 ( -2.009 4.830 0.448) 5.250 13.595 ( 5.333 -6.044 -0.434) 8.073 13.718 ( -12.916 -13.015 -0.251) 18.338 13.846 ( 1.702 0.103 1.629) 2.358 13.988 ( -1.511 1.737 -1.287) 2.637 14.093 ( 10.660 12.233 0.964) 16.255 14.357 ( -7.394 2.514 -0.169) 7.812 14.508 ( -1.258 4.726 1.160) 5.026 14.928 ( -2.294 17.848 -3.033) 18.248 15.392 ( -1.507 4.639 0.156) 4.880 15.557 ( -4.059 2.258 -4.428) 6.417 15.750 ( -3.867 -2.671 -0.404) 4.717 15.780 ( -1.218 0.479 0.764) 1.516 16.561 ( -1.307 -0.858 -1.214) 1.979 16.664 ( -2.415 2.277 -2.075) 3.914 16.725 ( -4.322 1.108 2.120) 4.940 16.872 ( -3.739 -3.013 -3.174) 5.756 19.379 ( 5.960 -5.391 -2.974) 8.569 19.497 ( 4.580 -1.855 1.214) 5.089 20.128 ( -0.301 -0.234 -0.821) 0.906 20.366 ( -3.237 5.639 -2.435) 6.944 21.450 ( -1.674 -4.963 7.318) 8.999 21.544 ( 2.820 -1.553 -6.542) 7.291 23.288 ( 0.395 4.501 4.838) 6.620 23.496 ( -0.739 -2.112 -5.236) 5.694 26.718 ( 1.009 -1.205 -0.033) 1.572 26.793 ( -0.799 1.054 0.064) 1.324 29.013 ( 0.567 1.089 -0.358) 1.279 29.458 ( -5.273 11.122 0.487) 12.318 29.935 ( -23.010 4.495 8.234) 24.848 30.622 ( 7.635 3.454 -2.947) 8.884 30.730 ( -2.247 7.696 -16.069) 17.958 30.871 ( -5.047 -1.317 -12.379) 13.433 31.056 ( 5.306 2.265 0.510) 5.791 31.404 ( -10.623 -3.108 -13.753) 17.654 32.277 ( -1.643 2.473 -1.424) 3.293 32.282 ( -3.281 0.470 -0.424) 3.341 32.512 ( -4.543 -0.980 0.300) 4.657 32.639 ( -2.376 5.878 -1.274) 6.467 33.678 ( -2.682 0.689 8.567) 9.003 34.015 ( 3.392 -1.891 -8.628) 9.462 35.554 ( 2.597 0.071 3.872) 4.663 35.822 ( 2.420 0.877 6.087) 6.609 35.870 ( -0.293 0.540 -2.794) 2.860 36.409 ( -4.586 0.437 8.077) 9.298 36.451 ( -2.755 3.804 0.622) 4.738 36.673 ( 1.759 -0.598 -8.303) 8.509 38.231 ( 14.614 -13.022 29.568) 35.460 38.802 ( 13.992 -8.906 -8.749) 18.752 ======================= Grid point 143 (65/93) ======================= q-point: (-0.12 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.480 ( -1.002 13.784 4.076) 14.409 0.783 ( -9.528 9.493 9.753) 16.614 1.102 ( -22.500 7.350 20.827) 31.528 1.294 ( -2.926 -2.870 12.934) 13.568 1.740 ( 0.828 14.326 31.562) 34.671 2.017 ( -15.560 4.009 -19.768) 25.474 2.178 ( -5.514 -6.269 -18.655) 20.438 2.663 ( -6.844 6.806 -2.938) 10.089 2.790 ( -3.481 6.551 6.882) 10.119 3.034 ( 2.332 4.427 -9.603) 10.829 3.248 ( -2.309 -6.229 14.218) 15.693 3.424 ( -0.385 -0.871 0.046) 0.953 3.464 ( 3.442 -0.316 -2.226) 4.111 3.533 ( -3.454 2.049 0.225) 4.022 3.733 ( -7.181 0.947 0.187) 7.246 3.869 ( 1.224 -10.208 -18.891) 21.508 4.093 ( -1.432 1.418 12.295) 12.460 4.196 ( 2.773 1.185 2.628) 4.000 4.413 ( 6.596 3.299 -2.297) 7.724 4.527 ( -5.876 -3.107 9.824) 11.861 4.670 ( -2.845 -0.736 -6.067) 6.741 4.714 ( -6.441 2.102 -8.313) 10.724 4.758 ( 0.018 2.573 1.105) 2.800 4.880 ( 2.776 0.869 -6.620) 7.231 5.014 ( 9.112 -0.254 4.596) 10.208 5.143 ( -1.272 1.102 1.184) 2.058 5.268 ( 4.574 -0.986 3.507) 5.847 5.303 ( 4.935 0.544 -0.744) 5.020 5.411 ( 6.874 -1.815 3.862) 8.090 5.591 ( 8.632 -2.573 -8.774) 12.574 5.916 ( 14.050 -10.817 3.775) 18.129 6.056 ( 8.306 -1.703 3.103) 9.029 6.440 ( 6.454 -1.424 -2.178) 6.959 6.546 ( 0.221 -1.621 0.434) 1.692 6.877 ( 5.651 -9.127 2.159) 10.950 6.987 ( 1.133 1.062 -0.790) 1.743 7.194 ( 15.084 3.892 -3.119) 15.887 7.261 ( -0.211 2.033 8.244) 8.493 7.619 ( -9.097 -2.691 1.112) 9.552 7.682 ( -2.977 -3.212 -3.295) 5.481 8.884 ( 4.425 -3.994 -0.439) 5.977 8.985 ( -1.085 -0.288 -0.833) 1.398 9.107 ( -9.533 -3.357 1.938) 10.291 9.246 ( -12.962 1.440 0.055) 13.042 9.274 ( 0.631 2.048 1.798) 2.797 9.400 ( -2.117 2.421 -1.455) 3.530 9.783 ( 6.067 -1.598 -2.061) 6.604 9.959 ( -5.117 -3.753 -1.376) 6.493 10.095 ( 6.175 -0.748 1.809) 6.478 10.287 ( -1.169 -0.228 0.307) 1.230 10.439 ( 5.528 2.307 4.012) 7.210 10.615 ( 8.045 3.849 -3.167) 9.463 11.242 ( -8.153 -1.983 0.911) 8.440 11.285 ( -6.500 1.011 -0.415) 6.591 11.616 ( -4.200 -0.384 -2.229) 4.770 11.652 ( -4.316 -1.847 -0.472) 4.718 13.215 ( 5.561 -0.715 -0.303) 5.615 13.275 ( 1.436 2.632 -1.198) 3.229 13.307 ( 4.089 -4.768 -0.759) 6.326 13.393 ( -2.071 3.273 -0.048) 3.873 13.619 ( -10.476 -7.418 -0.506) 12.846 13.753 ( 4.836 -3.471 0.452) 5.970 13.878 ( -1.134 -1.184 0.170) 1.649 14.008 ( 4.324 -3.283 0.268) 5.436 14.040 ( -20.587 4.420 -4.559) 21.544 14.152 ( 9.741 10.736 0.661) 14.512 14.444 ( -4.065 5.150 1.267) 6.682 14.617 ( -5.822 24.329 -5.206) 25.552 15.377 ( 2.091 0.460 -0.494) 2.197 15.425 ( -4.350 2.056 -3.838) 6.154 15.694 ( -4.954 -1.740 -0.188) 5.254 15.723 ( -4.879 1.033 -0.010) 4.988 16.539 ( -0.713 -0.434 -2.383) 2.525 16.606 ( -1.355 1.336 0.186) 1.912 16.659 ( -2.197 1.228 1.671) 3.021 16.793 ( -5.724 -0.503 -1.192) 5.868 19.528 ( 7.380 -4.498 -1.975) 8.865 19.583 ( 2.162 -1.715 1.476) 3.129 20.125 ( 0.372 -0.597 -1.183) 1.376 20.220 ( -5.243 5.580 -1.799) 7.865 21.511 ( -2.230 -4.739 4.177) 6.699 21.569 ( 3.052 -1.229 -5.836) 6.700 23.280 ( -0.816 2.502 6.659) 7.160 23.477 ( 0.562 -1.489 -6.395) 6.590 26.745 ( 0.931 -0.686 0.004) 1.157 26.772 ( -0.675 0.700 0.021) 0.973 29.002 ( 1.422 4.511 0.218) 4.735 29.237 ( -6.071 15.601 -1.112) 16.777 29.613 ( -15.873 0.940 3.511) 16.283 30.007 ( -37.172 9.319 -27.952) 47.433 30.718 ( 3.208 0.684 1.734) 3.711 30.812 ( -0.185 0.409 -1.266) 1.343 31.129 ( 4.685 1.193 2.072) 5.260 31.293 ( 0.924 1.320 -3.937) 4.254 32.220 ( -1.972 1.039 0.070) 2.230 32.230 ( -2.154 0.621 -0.411) 2.279 32.495 ( -0.441 -0.684 2.713) 2.832 32.559 ( -1.550 2.987 -0.043) 3.365 33.707 ( -1.471 -0.251 10.689) 10.793 34.018 ( 2.433 -0.980 -10.039) 10.376 35.615 ( 1.586 0.112 4.811) 5.067 35.829 ( -0.986 0.319 -4.159) 4.287 35.951 ( 8.450 0.713 6.454) 10.657 36.319 ( -5.940 1.804 -1.168) 6.317 36.431 ( -2.367 0.673 9.034) 9.364 36.657 ( 2.156 -0.376 -8.451) 8.730 38.855 ( 19.238 -16.464 16.782) 30.378 39.058 ( 12.397 -6.756 -5.653) 15.208 ======================= Grid point 145 (66/93) ======================= q-point: ( 0.12 0.12 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.626 ( 11.150 0.000 -8.785) 14.195 1.009 ( 8.525 0.000 -3.191) 9.103 1.598 ( 5.383 0.000 -18.904) 19.655 1.782 ( 24.050 0.000 -17.386) 29.676 1.921 ( 6.412 0.000 7.837) 10.125 1.973 ( 9.143 0.000 16.148) 18.556 2.122 ( -1.119 -0.000 -11.971) 12.023 2.547 ( 16.068 0.000 18.194) 24.273 3.083 ( 7.677 0.000 -14.253) 16.189 3.088 ( 7.579 0.000 0.827) 7.623 3.316 ( -1.935 -0.000 4.009) 4.452 3.412 ( 2.314 0.000 0.973) 2.510 3.498 ( -1.593 -0.000 -9.333) 9.468 3.604 ( 0.061 0.000 16.755) 16.756 3.632 ( 2.520 0.000 -4.736) 5.365 3.792 ( -1.978 -0.000 -1.882) 2.731 4.100 ( -4.219 -0.000 9.581) 10.469 4.202 ( -5.389 -0.000 -2.878) 6.109 4.331 ( 5.785 0.000 0.906) 5.855 4.524 ( -1.652 -0.000 5.608) 5.846 4.558 ( -10.676 -0.000 10.240) 14.793 4.706 ( -10.894 -0.000 3.096) 11.325 4.723 ( -0.633 -0.000 1.349) 1.490 4.808 ( 6.824 0.000 -5.127) 8.536 4.987 ( -4.683 -0.000 -8.479) 9.686 5.142 ( -6.433 -0.000 6.144) 8.896 5.174 ( -8.623 -0.000 1.458) 8.745 5.269 ( 2.853 0.000 -4.549) 5.370 5.379 ( -10.255 -0.000 -8.997) 13.642 5.421 ( 0.837 0.000 -1.046) 1.340 5.752 ( -11.289 -0.000 0.338) 11.294 5.940 ( -9.815 -0.000 -0.488) 9.827 6.385 ( -1.438 -0.000 -1.958) 2.429 6.497 ( -6.562 -0.000 -0.491) 6.581 6.816 ( -7.971 -0.000 -0.300) 7.976 6.842 ( -15.484 -0.000 5.425) 16.407 7.022 ( 4.469 0.000 -1.007) 4.581 7.405 ( 3.434 0.000 -5.217) 6.246 7.715 ( 2.218 0.000 1.174) 2.510 7.763 ( 4.868 0.000 -0.072) 4.868 8.863 ( -1.418 -0.000 -2.525) 2.896 8.964 ( -1.285 -0.000 1.706) 2.136 9.244 ( 0.882 0.000 1.493) 1.734 9.264 ( -3.175 -0.000 -4.395) 5.422 9.489 ( 12.276 0.000 -0.775) 12.301 9.493 ( 16.332 0.000 1.047) 16.366 9.704 ( -1.477 -0.000 0.093) 1.480 9.980 ( -3.155 -0.000 1.749) 3.608 10.079 ( 1.905 0.000 -2.334) 3.013 10.237 ( -4.328 -0.000 0.549) 4.363 10.398 ( -9.146 -0.000 2.353) 9.444 10.402 ( -4.484 -0.000 -1.314) 4.673 11.373 ( 6.746 0.000 0.680) 6.781 11.405 ( 6.071 0.000 -0.084) 6.071 11.677 ( 6.540 0.000 0.984) 6.614 11.736 ( 5.027 0.000 0.264) 5.034 13.129 ( -6.804 -0.000 -0.441) 6.818 13.179 ( -8.443 -0.000 0.495) 8.457 13.288 ( -1.914 -0.000 0.188) 1.923 13.347 ( -0.292 -0.000 0.556) 0.628 13.691 ( -5.994 -0.000 0.296) 6.001 13.826 ( -5.170 -0.000 -0.016) 5.170 13.905 ( -2.299 -0.000 -0.966) 2.494 13.947 ( -3.011 -0.000 -0.333) 3.029 14.067 ( 22.156 0.000 -1.566) 22.211 14.287 ( 17.470 0.000 4.789) 18.115 14.485 ( 1.215 0.000 -1.529) 1.953 14.541 ( 3.127 0.000 1.331) 3.399 15.369 ( 3.211 0.000 -0.822) 3.315 15.439 ( 5.354 0.000 4.099) 6.743 15.761 ( 2.642 0.000 1.032) 2.836 15.806 ( 3.919 0.000 -1.510) 4.199 16.551 ( 4.204 0.000 2.367) 4.825 16.610 ( -0.096 -0.000 -1.912) 1.915 16.775 ( 6.142 0.000 -4.020) 7.340 16.831 ( 2.205 0.000 2.936) 3.672 19.391 ( -7.629 -0.000 2.046) 7.898 19.546 ( -5.904 -0.000 -1.671) 6.136 20.067 ( 0.429 0.000 3.280) 3.308 20.310 ( 6.048 0.000 -1.200) 6.166 21.412 ( -4.625 -0.000 8.003) 9.243 21.611 ( 1.130 0.000 -3.609) 3.782 23.363 ( -1.012 -0.000 8.445) 8.505 23.378 ( 0.024 0.000 -7.831) 7.831 26.740 ( -0.492 -0.000 -0.247) 0.551 26.772 ( 0.311 0.000 0.278) 0.417 29.085 ( 4.505 0.000 -3.075) 5.455 29.243 ( 10.178 0.000 3.643) 10.811 30.053 ( 25.767 0.000 -10.873) 27.967 30.056 ( 18.919 0.000 20.550) 27.932 30.681 ( -4.416 -0.000 -2.388) 5.020 30.794 ( 1.411 0.000 2.628) 2.983 31.080 ( -4.243 -0.000 -2.619) 4.986 31.195 ( -0.355 -0.000 7.006) 7.015 32.235 ( 0.202 0.000 -0.029) 0.204 32.265 ( 3.232 0.000 0.645) 3.296 32.567 ( 3.077 0.000 -2.425) 3.918 32.654 ( 6.297 0.000 -5.911) 8.637 33.812 ( -3.498 -0.000 11.625) 12.140 33.884 ( 0.872 0.000 -10.329) 10.365 35.656 ( -2.938 -0.000 -5.897) 6.588 35.793 ( 2.246 0.000 4.082) 4.659 35.955 ( -3.330 -0.000 -7.715) 8.403 36.394 ( 5.008 0.000 2.723) 5.700 36.496 ( -0.725 -0.000 7.098) 7.135 36.607 ( 2.697 0.000 -8.923) 9.322 38.662 ( -23.072 -0.000 14.740) 27.378 38.841 ( -17.291 -0.000 -14.485) 22.557 ======================= Grid point 146 (67/93) ======================= q-point: ( 0.25 0.12 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.821 ( 12.790 -3.288 -2.999) 13.542 1.052 ( 0.341 2.447 -2.077) 3.228 1.599 ( 11.024 6.567 -14.160) 19.109 1.813 ( 0.541 -5.929 -13.224) 14.502 1.994 ( 4.717 5.127 2.694) 7.469 2.222 ( 12.691 -7.021 -1.165) 14.550 2.366 ( 10.783 -10.076 6.885) 16.286 2.870 ( 8.729 4.802 14.926) 17.945 3.085 ( 0.359 0.742 -3.168) 3.274 3.176 ( 2.679 -3.455 -9.495) 10.453 3.271 ( 0.489 3.366 3.725) 5.044 3.334 ( -2.177 5.008 -2.654) 6.071 3.593 ( -3.959 1.664 1.812) 4.661 3.614 ( -4.218 0.245 1.823) 4.601 3.660 ( 5.418 -13.196 -2.829) 14.543 3.743 ( 0.845 -0.529 -4.688) 4.793 4.087 ( -1.092 5.754 7.023) 9.145 4.116 ( -0.336 1.665 -3.367) 3.771 4.296 ( -16.539 8.497 5.564) 19.409 4.370 ( -8.388 -3.445 8.477) 12.413 4.527 ( -8.991 2.888 3.996) 10.254 4.601 ( 6.117 -7.096 -2.324) 9.653 4.838 ( 3.333 -1.930 6.627) 7.665 4.855 ( 2.410 1.336 -4.971) 5.684 4.922 ( 1.962 -3.130 -1.976) 4.189 5.025 ( -9.202 -0.256 -0.082) 9.206 5.109 ( -7.360 0.629 -6.857) 10.079 5.138 ( -4.628 0.933 7.004) 8.446 5.332 ( 6.351 -1.535 -6.681) 9.345 5.435 ( 1.225 -0.503 -0.740) 1.517 5.688 ( -0.637 -2.083 2.773) 3.526 5.787 ( -6.975 1.213 -1.639) 7.267 6.327 ( -2.077 1.671 -4.451) 5.188 6.403 ( -3.310 2.096 -0.648) 3.971 6.642 ( -8.406 3.370 6.101) 10.920 6.777 ( -2.279 -2.107 3.137) 4.413 7.105 ( 5.096 -0.449 0.387) 5.130 7.410 ( 2.591 0.743 -7.654) 8.115 7.682 ( -3.398 5.676 0.759) 6.659 7.808 ( -0.313 -1.597 0.908) 1.864 8.823 ( 0.643 2.884 -3.204) 4.358 8.970 ( -0.906 -0.371 2.990) 3.147 9.150 ( -3.800 1.303 -3.807) 5.534 9.262 ( -1.370 -3.318 0.630) 3.645 9.650 ( 8.214 3.085 -0.851) 8.815 9.708 ( 3.972 1.023 0.839) 4.187 9.717 ( 6.995 -0.673 -1.433) 7.172 9.934 ( -3.368 -2.383 2.162) 4.658 10.082 ( -1.258 2.173 -1.140) 2.758 10.146 ( -6.549 -2.157 -1.189) 6.997 10.275 ( -1.556 4.306 -0.196) 4.583 10.437 ( 2.243 -7.065 2.149) 7.718 11.461 ( 4.112 0.055 0.388) 4.131 11.482 ( 4.147 0.461 0.542) 4.207 11.760 ( 2.811 1.185 0.417) 3.078 11.822 ( 5.128 0.014 0.347) 5.140 12.898 ( -14.825 9.380 -0.021) 17.544 13.053 ( -7.872 -4.919 -0.159) 9.284 13.272 ( -0.845 -1.643 -0.233) 1.862 13.396 ( -1.185 -7.394 0.675) 7.519 13.587 ( -1.982 6.189 0.910) 6.562 13.752 ( -5.881 -7.111 -1.220) 9.308 13.895 ( 0.310 2.153 -0.574) 2.249 13.964 ( 1.964 -4.409 0.224) 4.832 14.257 ( 18.738 21.241 0.470) 28.329 14.402 ( -0.291 1.177 -0.825) 1.466 14.528 ( 1.121 0.722 0.225) 1.352 14.812 ( 11.385 -21.313 1.285) 24.198 15.441 ( 6.013 -0.482 -2.042) 6.369 15.566 ( 5.318 -1.236 3.801) 6.653 15.784 ( -0.189 0.984 1.359) 1.689 15.821 ( 0.581 0.840 -2.249) 2.470 16.596 ( 2.020 1.398 -0.463) 2.500 16.656 ( 2.670 -2.483 1.452) 3.924 16.825 ( 2.551 0.752 -2.481) 3.637 16.862 ( -0.314 -0.221 2.342) 2.373 19.296 ( -4.033 2.632 2.917) 5.630 19.432 ( -6.371 -0.606 -2.202) 6.768 20.105 ( 1.764 0.589 3.237) 3.733 20.403 ( 4.957 -1.949 -1.442) 5.518 21.387 ( -4.252 0.704 8.080) 9.157 21.589 ( 0.530 1.362 -4.894) 5.108 23.323 ( -0.350 0.800 -3.683) 3.785 23.419 ( -0.396 -3.028 4.578) 5.503 26.723 ( -0.349 1.576 -0.194) 1.626 26.788 ( 0.304 -1.468 0.248) 1.519 29.104 ( 5.348 7.306 -1.071) 9.118 29.499 ( 11.694 -8.190 1.305) 14.336 30.285 ( -1.721 -2.998 3.412) 4.857 30.368 ( 7.197 -8.589 2.289) 11.437 30.644 ( 6.737 2.332 -3.386) 7.892 30.844 ( 1.465 0.928 2.968) 3.437 31.023 ( -0.094 0.849 -2.505) 2.647 31.352 ( 9.218 1.246 17.718) 20.011 32.241 ( -0.430 -1.547 1.185) 1.996 32.320 ( 2.736 0.047 1.014) 2.918 32.605 ( 3.771 0.817 -1.541) 4.155 32.709 ( 4.227 -2.268 -7.449) 8.860 33.818 ( -3.575 0.478 9.693) 10.342 33.847 ( 1.709 -0.454 -8.130) 8.320 35.571 ( -3.166 -0.186 -5.052) 5.965 35.845 ( 1.672 0.030 2.296) 2.840 35.878 ( -1.349 -1.298 -7.591) 7.818 36.464 ( -0.994 0.289 8.641) 8.703 36.534 ( 3.763 1.739 -0.479) 4.173 36.614 ( 3.594 -2.197 -7.179) 8.323 38.349 ( -18.353 10.112 5.570) 21.682 38.496 ( -13.555 -2.776 -9.146) 16.585 ======================= Grid point 147 (68/93) ======================= q-point: ( 0.38 0.12 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.961 ( 2.359 3.547 -2.485) 4.932 1.022 ( 4.011 -0.296 -1.170) 4.189 1.688 ( 9.961 1.666 3.468) 10.679 1.868 ( 7.246 1.051 -5.846) 9.369 2.053 ( 6.100 -2.835 -6.039) 9.040 2.308 ( -2.616 5.169 -3.548) 6.793 2.625 ( 3.266 -13.121 2.803) 13.809 2.874 ( -5.154 9.473 5.201) 11.973 3.020 ( -2.073 2.872 -0.270) 3.552 3.158 ( -0.669 1.937 1.311) 2.433 3.259 ( -7.529 -3.628 8.220) 11.723 3.345 ( 3.039 -5.251 -4.481) 7.542 3.509 ( -2.353 1.513 -1.199) 3.043 3.594 ( -3.483 3.487 -6.455) 8.122 3.651 ( 0.718 -2.071 -1.048) 2.430 3.869 ( 5.183 -8.774 -3.388) 10.739 4.013 ( -6.114 3.859 -1.301) 7.346 4.112 ( -2.141 4.929 11.876) 13.035 4.145 ( 8.108 -3.147 -6.489) 10.851 4.307 ( -8.153 -3.613 1.912) 9.120 4.410 ( -4.291 5.813 5.812) 9.272 4.702 ( -6.915 -0.209 0.448) 6.933 4.777 ( 4.285 -1.246 -1.781) 4.805 4.870 ( -2.670 -0.767 -2.608) 3.810 4.926 ( -2.008 -4.379 2.360) 5.364 5.047 ( 8.106 1.536 -2.021) 8.494 5.138 ( 3.655 -1.477 6.398) 7.515 5.172 ( 5.466 -2.441 5.189) 7.923 5.364 ( -0.270 -2.249 -4.333) 4.890 5.458 ( 1.923 1.288 -1.034) 2.534 5.627 ( -4.270 3.383 -2.598) 6.036 5.813 ( 3.808 -6.605 1.851) 7.845 6.235 ( -3.134 3.730 -4.177) 6.418 6.327 ( -0.081 4.041 -2.342) 4.671 6.572 ( -4.487 -0.486 7.291) 8.575 6.814 ( 4.627 2.420 2.112) 5.633 7.179 ( 2.531 0.241 2.508) 3.572 7.376 ( 0.892 1.691 -8.493) 8.705 7.546 ( -5.744 4.904 0.855) 7.601 7.799 ( -5.020 -4.221 0.170) 6.561 8.785 ( 0.636 3.193 -2.707) 4.235 8.948 ( 0.427 1.996 -0.157) 2.047 9.129 ( -0.691 -5.195 -2.498) 5.806 9.274 ( -1.473 -1.130 1.115) 2.166 9.619 ( -5.558 1.428 -0.632) 5.773 9.750 ( 6.029 4.519 -1.272) 7.642 9.790 ( -2.080 -2.423 -0.589) 3.247 9.908 ( -8.757 -4.018 3.272) 10.175 10.043 ( 1.058 0.181 1.282) 1.672 10.102 ( 0.147 -1.650 -0.088) 1.658 10.268 ( 7.911 7.063 -0.810) 10.636 10.576 ( 3.931 -5.115 0.609) 6.479 11.496 ( -1.036 -0.120 0.856) 1.349 11.533 ( 1.028 -0.146 0.049) 1.039 11.757 ( -1.483 0.460 -0.564) 1.652 11.874 ( 1.316 0.519 -0.054) 1.416 12.611 ( -6.991 6.628 -0.152) 9.635 13.006 ( -5.745 -7.404 -0.192) 9.373 13.284 ( -0.898 -4.287 -0.314) 4.391 13.439 ( -3.775 -8.060 0.437) 8.911 13.524 ( 1.179 6.498 0.607) 6.632 13.748 ( -2.392 -4.969 -0.472) 5.535 13.867 ( 0.597 3.303 -1.275) 3.591 14.054 ( 2.675 -3.269 0.720) 4.285 14.312 ( 12.459 17.355 0.823) 21.380 14.396 ( 3.923 4.344 -0.209) 5.857 14.533 ( 2.073 0.973 0.361) 2.318 15.125 ( 5.289 -10.795 0.064) 12.021 15.525 ( 4.591 -1.063 -1.971) 5.108 15.660 ( 2.898 -0.619 1.624) 3.379 15.754 ( -2.409 1.531 0.667) 2.931 15.805 ( 0.528 1.504 -0.528) 1.679 16.629 ( 2.638 -1.163 -0.277) 2.896 16.694 ( -0.810 -0.236 -0.132) 0.854 16.810 ( -1.731 1.340 2.228) 3.124 16.865 ( -0.582 -0.933 -1.785) 2.097 19.241 ( -1.610 2.113 0.934) 2.816 19.354 ( -3.205 -2.104 -0.930) 3.945 20.143 ( 1.921 1.931 2.946) 4.012 20.479 ( 3.470 -1.344 -2.125) 4.285 21.363 ( -4.168 0.222 7.585) 8.657 21.550 ( 0.504 0.814 -5.962) 6.038 23.303 ( -0.059 -1.301 -2.983) 3.255 23.462 ( -1.294 -2.485 3.926) 4.823 26.702 ( 0.028 1.659 -0.071) 1.660 26.808 ( 0.059 -1.386 0.109) 1.392 29.103 ( 4.914 8.463 -0.048) 9.786 29.740 ( 9.814 -1.498 -0.028) 9.928 30.184 ( -14.808 -7.165 3.779) 16.878 30.522 ( -2.229 -13.210 2.017) 13.548 30.770 ( 11.823 2.096 -6.359) 13.587 30.852 ( 0.043 1.454 1.402) 2.020 31.040 ( 8.035 3.756 -4.260) 9.839 31.530 ( 3.592 6.847 13.841) 15.854 32.271 ( -0.352 -2.972 2.484) 3.890 32.351 ( 0.663 0.618 0.539) 1.055 32.633 ( 1.258 2.068 -1.482) 2.839 32.755 ( 3.201 -3.064 -3.630) 5.728 33.803 ( -5.032 0.594 7.924) 9.406 33.856 ( 4.045 -1.880 -6.787) 8.121 35.511 ( -1.286 -0.165 -2.422) 2.747 35.831 ( -0.999 -1.020 -4.505) 4.726 35.879 ( 1.028 -0.162 0.445) 1.132 36.470 ( -3.216 1.705 8.979) 9.689 36.566 ( 3.271 1.247 -2.742) 4.447 36.664 ( 3.811 -1.980 -5.588) 7.047 38.023 ( -10.086 9.232 0.254) 13.676 38.356 ( -5.673 -5.629 -2.230) 8.297 ======================= Grid point 148 (69/93) ======================= q-point: (-0.50 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.947 ( 3.527 3.033 -2.664) 5.361 1.061 ( 2.131 1.834 -1.343) 3.115 1.775 ( -6.053 5.785 -13.201) 15.633 1.819 ( 3.015 6.340 3.140) 7.691 2.110 ( -4.509 11.728 5.580) 13.748 2.281 ( 13.457 -0.889 5.258) 14.475 2.683 ( -8.299 -4.052 3.221) 9.781 2.772 ( -2.821 -1.587 2.711) 4.222 2.913 ( -3.962 2.441 -7.565) 8.882 3.134 ( -5.012 -2.441 3.124) 6.390 3.287 ( -3.026 -7.893 -2.433) 8.796 3.382 ( -2.750 -2.823 2.776) 4.821 3.463 ( 0.858 4.238 3.225) 5.394 3.496 ( 3.002 -1.538 -2.592) 4.254 3.710 ( 0.078 -1.000 1.304) 1.645 3.913 ( 3.013 3.616 -0.814) 4.777 3.983 ( -5.880 0.161 5.469) 8.031 4.074 ( 3.105 4.564 -4.134) 6.897 4.206 ( -1.223 -2.138 -6.859) 7.288 4.321 ( 2.438 -9.379 0.308) 9.695 4.399 ( 3.048 -5.867 1.252) 6.729 4.638 ( -0.602 1.873 3.687) 4.179 4.801 ( 0.471 3.072 5.324) 6.165 4.924 ( 5.702 -2.136 0.694) 6.128 4.979 ( -1.319 -6.413 3.039) 7.218 5.111 ( 2.279 4.342 -2.616) 5.558 5.169 ( 2.375 2.871 1.231) 3.924 5.241 ( -0.639 2.717 -6.165) 6.767 5.426 ( -2.802 -0.070 -3.069) 4.156 5.473 ( 7.094 -4.497 5.183) 9.870 5.552 ( 2.473 3.683 -0.078) 4.437 5.931 ( 1.478 -1.826 -0.761) 2.469 6.131 ( -0.743 0.128 -1.653) 1.817 6.327 ( 5.023 1.267 -2.169) 5.616 6.574 ( -1.465 -1.338 4.922) 5.307 6.906 ( 9.866 3.423 0.467) 10.454 7.214 ( 0.149 1.029 4.975) 5.083 7.294 ( -1.828 2.933 -7.994) 8.709 7.457 ( -2.932 -1.476 0.801) 3.379 7.731 ( -9.119 -5.368 -0.636) 10.601 8.747 ( -0.289 1.905 -1.701) 2.570 9.009 ( 8.879 -1.612 -4.227) 9.965 9.125 ( -5.568 -4.416 -1.610) 7.286 9.241 ( -2.723 1.235 1.790) 3.484 9.521 ( -5.469 -0.885 -0.013) 5.540 9.675 ( -13.994 -2.354 1.835) 14.309 9.759 ( 0.948 0.403 -1.574) 1.881 9.867 ( -4.755 -4.060 1.453) 6.419 10.100 ( 4.188 4.488 1.884) 6.421 10.135 ( 4.195 -0.201 1.619) 4.501 10.374 ( 12.402 5.346 -0.290) 13.508 10.640 ( 0.682 -0.732 -0.957) 1.384 11.435 ( -7.031 -0.384 0.937) 7.104 11.472 ( -7.909 0.572 -0.215) 7.933 11.711 ( -3.738 -1.513 -1.250) 4.222 11.852 ( -3.117 0.963 -0.637) 3.324 12.621 ( 10.437 -2.501 -0.351) 10.739 13.016 ( -2.182 -7.669 -0.209) 7.976 13.333 ( 0.381 -6.055 0.207) 6.070 13.448 ( -3.730 -5.931 -0.167) 7.008 13.486 ( 1.577 6.565 0.489) 6.769 13.745 ( -1.651 -0.286 -0.015) 1.676 13.842 ( 1.239 2.831 -0.379) 3.113 14.084 ( -1.373 0.229 -0.231) 1.411 14.334 ( 9.106 13.260 0.916) 16.111 14.428 ( 4.992 3.779 0.884) 6.323 14.598 ( 8.148 4.443 -0.262) 9.284 15.190 ( -3.034 -0.362 -0.022) 3.056 15.578 ( 1.844 -0.642 -1.451) 2.433 15.667 ( -1.878 3.236 0.733) 3.813 15.719 ( -0.556 -0.718 -0.203) 0.930 15.806 ( 1.649 2.228 0.788) 2.882 16.640 ( -3.290 2.000 -1.022) 3.984 16.689 ( 2.146 -1.914 0.034) 2.876 16.789 ( -2.198 0.380 2.525) 3.369 16.838 ( -2.316 -1.392 -2.218) 3.496 19.221 ( 0.581 -1.421 -2.276) 2.746 19.362 ( 0.464 -3.065 0.829) 3.209 20.162 ( 1.642 3.042 2.374) 4.194 20.508 ( 1.890 1.223 -2.864) 3.643 21.349 ( -3.967 -1.455 7.190) 8.340 21.519 ( 0.728 -0.499 -6.471) 6.531 23.306 ( 0.397 -2.089 -2.599) 3.358 23.472 ( -2.990 -2.030 2.938) 4.657 26.694 ( 0.715 0.939 0.024) 1.181 26.816 ( -0.438 -0.615 0.055) 0.757 29.095 ( 4.722 7.889 0.052) 9.194 29.777 ( -0.489 8.121 -0.205) 8.138 30.092 ( -13.920 -12.471 6.330) 19.732 30.613 ( 1.578 -4.827 0.272) 5.085 30.846 ( 0.353 1.380 0.401) 1.480 30.854 ( 3.919 -3.002 -7.685) 9.134 31.133 ( 14.222 8.211 -7.652) 18.118 31.522 ( -1.581 6.867 4.347) 8.280 32.308 ( -0.233 -2.093 1.528) 2.602 32.338 ( -1.366 0.686 0.099) 1.532 32.574 ( -4.065 0.134 -4.483) 6.053 32.806 ( 2.128 1.836 0.543) 2.863 33.747 ( -5.706 1.051 5.324) 7.874 33.913 ( 4.150 -3.198 -5.993) 7.960 35.507 ( 1.111 0.037 1.313) 1.720 35.812 ( -0.498 0.202 1.734) 1.815 35.890 ( 0.554 -0.011 -1.280) 1.395 36.449 ( -3.852 1.485 8.143) 9.129 36.576 ( 1.783 1.890 -2.176) 3.389 36.682 ( 1.735 -0.301 -6.859) 7.081 37.879 ( -3.456 3.160 9.884) 10.937 38.390 ( 2.913 -9.846 -5.465) 11.632 ======================= Grid point 149 (70/93) ======================= q-point: (-0.38 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.915 ( 0.425 8.740 -0.482) 8.763 1.089 ( 2.936 0.071 0.024) 2.937 1.409 ( -10.424 18.910 -1.280) 21.631 1.833 ( -15.467 8.360 7.341) 19.053 1.913 ( 4.921 0.657 -6.988) 8.572 2.308 ( -0.568 21.422 10.494) 23.861 2.632 ( -10.654 5.316 -11.379) 16.469 2.775 ( -1.259 -7.553 1.716) 7.847 2.868 ( 0.954 -2.574 12.442) 12.741 3.091 ( -1.858 0.383 2.014) 2.767 3.305 ( -0.876 -5.934 -2.422) 6.469 3.351 ( -1.257 -3.391 -3.286) 4.886 3.459 ( 0.918 -2.196 -2.691) 3.592 3.595 ( -4.199 1.304 3.475) 5.604 3.703 ( -2.502 3.941 2.326) 5.216 3.811 ( -2.497 3.226 0.219) 4.086 4.005 ( 3.961 -2.483 4.222) 6.299 4.074 ( 7.953 3.925 -6.520) 11.008 4.252 ( 1.009 -7.493 4.079) 8.591 4.478 ( 2.242 -8.812 0.269) 9.097 4.530 ( 4.503 -8.793 -5.676) 11.393 4.703 ( 7.353 -3.325 3.012) 8.613 4.825 ( 0.439 3.667 6.359) 7.354 4.942 ( -9.986 2.241 -6.767) 12.269 5.029 ( 1.189 -2.953 6.128) 6.905 5.067 ( 6.598 0.639 0.777) 6.674 5.153 ( -1.906 0.399 -4.351) 4.767 5.242 ( 5.139 3.883 -2.292) 6.837 5.343 ( -0.749 3.655 -0.822) 3.820 5.492 ( 2.343 4.323 -1.021) 5.022 5.727 ( 5.938 -6.743 2.865) 9.430 5.870 ( -0.826 4.287 -2.592) 5.077 6.235 ( 5.985 -6.895 -0.001) 9.130 6.413 ( 6.705 -0.291 -1.192) 6.816 6.618 ( 2.003 -2.234 2.938) 4.200 7.054 ( 10.280 1.811 -0.764) 10.467 7.161 ( -3.341 3.881 -5.273) 7.350 7.248 ( 1.607 1.489 5.287) 5.723 7.492 ( 0.884 -6.079 0.919) 6.212 7.630 ( -9.569 -6.707 -1.770) 11.818 8.728 ( 0.266 -1.050 -1.270) 1.669 9.026 ( -7.858 -1.498 -0.604) 8.022 9.126 ( 1.312 -3.606 -6.863) 7.863 9.248 ( 5.155 1.168 4.547) 6.972 9.450 ( -5.288 -0.057 0.031) 5.288 9.494 ( -11.173 -2.737 1.339) 11.581 9.735 ( -5.572 -1.021 -1.505) 5.861 9.826 ( -4.819 -6.613 1.693) 8.356 10.114 ( 4.380 6.218 0.188) 7.608 10.244 ( 6.351 1.352 3.281) 7.275 10.494 ( 6.796 6.158 2.487) 9.503 10.641 ( 4.566 1.834 -3.555) 6.071 11.321 ( -9.376 -1.539 0.274) 9.506 11.328 ( -8.216 -2.104 0.154) 8.483 11.652 ( -5.687 -2.918 -1.117) 6.489 11.753 ( -6.488 1.076 -1.852) 6.832 12.896 ( 14.539 -7.620 -0.578) 16.425 13.091 ( 3.405 -5.454 -0.195) 6.433 13.380 ( -3.988 -5.857 1.136) 7.176 13.419 ( -1.139 3.877 -1.065) 4.179 13.505 ( 5.437 -2.192 0.072) 5.863 13.701 ( -0.469 4.873 -0.059) 4.895 13.849 ( 1.182 0.744 1.074) 1.762 14.030 ( -2.374 1.642 -0.945) 3.037 14.326 ( 2.361 9.384 0.787) 9.709 14.465 ( 2.478 5.982 0.832) 6.528 14.645 ( 6.459 9.563 0.445) 11.548 15.120 ( -1.252 3.271 -0.232) 3.510 15.533 ( -3.106 6.383 0.627) 7.126 15.623 ( 0.970 3.168 -2.702) 4.275 15.698 ( -3.257 -1.179 -1.105) 3.635 15.808 ( 0.767 2.841 0.223) 2.951 16.566 ( -2.400 1.317 -1.067) 2.938 16.700 ( -1.518 0.931 -0.993) 2.039 16.753 ( -3.017 1.428 2.305) 4.056 16.809 ( -2.589 -2.793 -1.197) 3.992 19.271 ( 4.069 -4.768 -3.357) 7.111 19.426 ( 1.399 -4.719 1.144) 5.053 20.165 ( 1.461 3.747 1.890) 4.443 20.472 ( -0.204 4.492 -4.193) 6.148 21.358 ( -3.723 -3.714 7.332) 9.023 21.507 ( 1.603 -1.869 -6.994) 7.415 23.321 ( 0.473 -1.527 -1.279) 2.047 23.447 ( -4.136 -2.440 0.670) 4.849 26.706 ( 1.433 0.124 0.079) 1.440 26.807 ( -0.958 0.180 0.079) 0.978 29.102 ( 6.010 7.214 -0.244) 9.393 29.649 ( -3.236 7.923 0.177) 8.560 29.969 ( -18.122 -2.242 8.864) 20.298 30.678 ( 3.825 -0.711 -3.567) 5.278 30.830 ( -2.630 -0.423 -18.435) 18.626 30.840 ( 0.486 1.530 -0.246) 1.624 31.188 ( 10.351 10.858 -7.790) 16.904 31.424 ( -2.746 5.592 -1.301) 6.364 32.293 ( -2.182 0.489 -1.282) 2.578 32.316 ( -1.553 1.246 0.352) 2.022 32.486 ( -4.187 -1.365 -0.104) 4.405 32.766 ( -1.619 5.664 -2.393) 6.359 33.691 ( -4.067 0.448 6.573) 7.742 33.963 ( 3.091 -3.034 -7.270) 8.462 35.556 ( 2.537 0.133 4.212) 4.919 35.846 ( 2.115 1.391 8.103) 8.490 35.881 ( 0.517 0.478 -2.756) 2.845 36.421 ( -4.657 0.696 8.048) 9.324 36.546 ( 0.180 4.994 -2.485) 5.581 36.655 ( 0.880 -0.935 -8.093) 8.194 37.994 ( 2.912 -8.416 21.713) 23.469 38.563 ( 8.441 -13.873 -8.567) 18.361 ======================= Grid point 150 (71/93) ======================= q-point: (-0.25 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( 1.981 15.372 4.089) 16.030 1.086 ( 0.746 13.734 -3.094) 14.098 1.171 ( -5.451 3.577 18.790) 19.889 1.448 ( -17.979 17.004 14.721) 28.794 1.960 ( 2.552 -5.179 -19.591) 20.424 2.170 ( -2.752 20.972 9.952) 23.376 2.248 ( -8.635 14.023 -3.100) 16.758 2.770 ( -0.351 3.468 2.226) 4.136 2.935 ( -4.358 0.991 4.208) 6.139 3.125 ( 0.121 -1.931 10.367) 10.547 3.242 ( 0.570 14.344 -13.441) 19.665 3.356 ( 0.999 -3.184 3.175) 4.606 3.487 ( -7.879 -4.880 3.192) 9.802 3.548 ( -2.452 -2.517 -7.880) 8.628 3.563 ( 0.174 -6.991 -0.589) 7.018 3.781 ( -1.617 2.273 -5.358) 6.041 4.112 ( 1.370 -0.606 9.380) 9.499 4.214 ( 10.623 -0.201 0.131) 10.626 4.383 ( -1.858 -8.939 8.275) 12.322 4.494 ( 1.278 2.223 -4.932) 5.559 4.680 ( -1.124 -3.117 -2.051) 3.896 4.713 ( -4.829 -3.496 -10.807) 12.342 4.772 ( -3.978 2.904 5.094) 7.086 4.919 ( 3.287 -2.750 1.487) 4.536 5.021 ( 3.530 3.631 -3.754) 6.304 5.176 ( 2.798 -1.116 -1.746) 3.482 5.214 ( 4.688 -3.067 7.598) 9.440 5.289 ( 5.730 -6.000 3.179) 8.885 5.344 ( 3.216 3.244 1.927) 4.958 5.520 ( 5.247 -2.122 -5.904) 8.179 5.776 ( 0.685 -0.865 1.246) 1.664 5.940 ( 3.705 -7.827 -0.363) 8.667 6.395 ( 7.056 -3.962 -1.879) 8.307 6.497 ( 0.815 -2.636 0.276) 2.773 6.727 ( 5.125 -4.316 3.066) 7.368 6.998 ( -4.862 1.235 -3.759) 6.269 7.242 ( 10.641 -0.656 -1.552) 10.774 7.307 ( 3.127 2.357 5.384) 6.658 7.535 ( -6.343 -5.179 0.932) 8.242 7.583 ( 0.006 -4.868 -2.834) 5.633 8.779 ( 3.247 -4.865 -0.729) 5.894 8.936 ( -5.640 -3.689 -0.303) 6.746 9.073 ( -4.118 0.096 -0.143) 4.122 9.280 ( -13.346 1.991 0.566) 13.506 9.331 ( 1.544 1.778 2.406) 3.367 9.434 ( 0.207 0.701 -2.234) 2.350 9.705 ( 0.894 -6.338 -0.354) 6.410 9.841 ( -3.911 -6.411 -0.006) 7.510 10.133 ( 5.332 4.613 0.273) 7.056 10.295 ( -1.337 1.738 1.569) 2.696 10.522 ( 4.228 5.105 5.139) 8.388 10.712 ( 8.071 4.270 -4.103) 10.010 11.200 ( -6.891 -2.235 0.343) 7.252 11.256 ( -5.727 -3.611 0.054) 6.770 11.581 ( -5.516 -3.223 -1.008) 6.468 11.627 ( -5.565 0.162 -2.865) 6.262 13.150 ( 7.791 -6.715 -0.456) 10.296 13.218 ( 5.679 -3.186 -0.421) 6.525 13.345 ( -3.560 0.254 -1.067) 3.725 13.364 ( -1.591 1.060 0.456) 1.965 13.643 ( 4.782 3.235 -0.094) 5.775 13.671 ( 6.811 -0.106 0.303) 6.819 13.852 ( -2.718 -1.191 0.829) 3.081 13.998 ( -1.122 1.265 0.197) 1.702 14.170 ( -9.814 7.811 0.093) 12.543 14.368 ( -2.317 8.707 -1.057) 9.072 14.664 ( 7.846 14.240 3.984) 16.740 15.054 ( 0.863 12.076 -5.591) 13.335 15.428 ( -1.665 5.535 1.275) 5.919 15.532 ( -0.759 8.827 -7.477) 11.593 15.652 ( -3.290 -1.973 0.493) 3.868 15.753 ( -3.835 2.492 -1.408) 4.785 16.538 ( 0.828 0.372 -0.430) 1.005 16.640 ( -2.874 1.625 -0.757) 3.388 16.700 ( -1.669 2.556 1.712) 3.500 16.776 ( -3.650 -1.009 -0.309) 3.800 19.402 ( 6.519 -6.977 -2.282) 9.818 19.499 ( -0.385 -6.105 0.940) 6.189 20.160 ( 1.055 3.894 2.252) 4.621 20.359 ( -2.216 7.266 -5.853) 9.589 21.393 ( -3.619 -5.641 7.031) 9.714 21.522 ( 2.615 -2.942 -7.065) 8.087 23.318 ( -3.304 0.248 4.295) 5.424 23.422 ( -0.296 -3.762 -4.962) 6.234 26.734 ( 1.784 -0.197 0.063) 1.796 26.785 ( -1.297 0.484 0.095) 1.387 29.147 ( 9.920 8.324 -0.383) 12.955 29.550 ( 1.316 8.036 0.363) 8.152 29.677 ( -20.085 7.720 6.761) 22.555 30.322 ( -23.517 16.933 -35.579) 45.888 30.752 ( 3.720 2.909 0.832) 4.795 30.828 ( -0.068 1.175 -0.506) 1.282 31.195 ( 5.108 6.232 0.877) 8.105 31.356 ( 2.105 5.161 -3.464) 6.562 32.244 ( -1.630 1.244 -0.688) 2.163 32.258 ( -2.608 1.798 -0.187) 3.173 32.482 ( -0.097 -0.734 3.731) 3.803 32.649 ( -2.187 5.262 -3.426) 6.649 33.698 ( -1.762 -0.595 9.504) 9.685 33.981 ( 2.075 -2.443 -8.950) 9.507 35.619 ( 1.666 0.291 5.252) 5.517 35.841 ( -0.709 0.776 -4.061) 4.194 35.977 ( 7.807 1.754 8.541) 11.704 36.369 ( -5.321 2.214 2.367) 6.230 36.471 ( -2.004 3.812 2.478) 4.969 36.642 ( 2.139 -1.138 -8.070) 8.426 38.397 ( 6.618 -23.322 25.142) 34.927 38.810 ( 9.191 -16.466 -8.905) 20.854 ======================= Grid point 151 (72/93) ======================= q-point: (-0.12 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.742 ( 3.555 15.318 8.724) 17.982 0.884 ( -0.472 17.103 -2.994) 17.369 1.265 ( 9.981 12.577 19.636) 25.364 1.330 ( 0.792 -3.636 21.563) 21.882 1.761 ( -6.051 11.898 -20.861) 24.766 1.870 ( -1.017 -1.022 -21.179) 21.228 2.250 ( 4.462 18.795 28.165) 34.153 2.664 ( -3.110 13.862 -8.595) 16.604 2.856 ( 0.601 3.565 5.433) 6.526 3.050 ( -0.844 2.592 -10.408) 10.759 3.249 ( 0.385 -5.518 11.374) 12.648 3.393 ( -2.615 2.078 2.841) 4.385 3.448 ( -2.799 -2.228 -0.793) 3.664 3.548 ( 8.754 -3.519 -5.036) 10.695 3.634 ( -3.257 -5.401 -4.116) 7.531 3.714 ( 3.866 -0.764 -11.543) 12.197 4.148 ( -5.156 2.711 12.969) 14.217 4.291 ( 1.633 5.420 1.340) 5.817 4.440 ( -4.254 -5.158 5.128) 8.426 4.503 ( 2.833 -2.564 1.126) 3.984 4.531 ( -12.551 1.157 0.233) 12.606 4.652 ( 7.031 0.495 -9.393) 11.743 4.782 ( -1.722 1.373 3.651) 4.264 4.904 ( 1.981 3.359 -6.181) 7.309 5.127 ( 3.656 -0.964 0.637) 3.834 5.133 ( -1.209 0.742 -0.872) 1.665 5.332 ( 0.767 -0.453 3.566) 3.675 5.357 ( 1.571 -0.518 -0.151) 1.661 5.451 ( -2.203 -3.415 4.683) 6.200 5.586 ( 1.340 -5.389 -7.244) 9.128 5.961 ( 4.923 -14.964 5.170) 16.579 6.029 ( -4.473 -10.930 -1.670) 11.928 6.467 ( -6.443 -1.983 0.758) 6.783 6.514 ( 6.893 -0.830 -3.687) 7.861 6.886 ( 3.701 -6.585 2.788) 8.052 6.948 ( -1.854 -5.958 -2.573) 6.749 7.290 ( -7.726 1.516 5.616) 9.671 7.401 ( 8.153 0.156 -3.128) 8.734 7.526 ( -0.259 -1.065 2.039) 2.315 7.585 ( -0.094 -3.537 -3.806) 5.197 8.898 ( 2.295 -5.730 0.213) 6.176 8.910 ( -2.138 -4.957 -0.930) 5.478 9.063 ( 2.877 1.287 1.898) 3.679 9.096 ( -2.165 0.544 -1.302) 2.584 9.339 ( 0.764 2.745 2.811) 4.002 9.398 ( -0.398 3.145 -2.731) 4.184 9.800 ( -4.466 -6.201 1.797) 7.850 9.848 ( 4.553 -3.762 -2.986) 6.618 10.194 ( 1.811 0.247 2.511) 3.106 10.217 ( -3.719 1.175 0.204) 3.905 10.584 ( 2.710 3.698 5.229) 6.955 10.691 ( -1.758 5.116 -4.875) 7.282 11.168 ( -1.215 -0.961 2.306) 2.778 11.217 ( 1.261 -1.052 -2.248) 2.783 11.561 ( -0.441 -3.016 -0.732) 3.135 11.567 ( -0.179 -2.171 -1.371) 2.574 13.272 ( -1.626 -3.756 0.692) 4.151 13.291 ( 1.340 -1.710 -0.932) 2.364 13.309 ( 0.353 -0.422 -0.050) 0.552 13.318 ( -1.186 1.172 -0.654) 1.791 13.697 ( 4.656 8.281 1.347) 9.595 13.726 ( -4.918 6.481 -1.434) 8.261 13.806 ( 3.646 -1.382 1.091) 4.049 13.825 ( -4.267 -1.535 -0.727) 4.593 14.172 ( 5.560 2.114 1.742) 6.198 14.213 ( -5.402 3.846 -2.197) 6.985 14.610 ( 3.366 20.070 5.131) 20.987 14.755 ( -3.718 26.292 -9.701) 28.270 15.380 ( -1.502 2.074 1.787) 3.122 15.426 ( 0.116 3.799 -2.956) 4.815 15.649 ( 0.505 -0.513 0.980) 1.216 15.671 ( -0.545 0.739 -1.066) 1.407 16.562 ( -2.947 1.361 0.246) 3.256 16.583 ( 4.559 1.079 -1.563) 4.939 16.701 ( 2.751 1.089 1.238) 3.208 16.718 ( -2.713 0.850 -0.365) 2.866 19.527 ( -3.843 -6.246 1.543) 7.494 19.562 ( 3.750 -6.332 -1.798) 7.575 20.133 ( -3.288 3.876 4.129) 6.548 20.232 ( 2.507 6.516 -5.772) 9.058 21.431 ( -4.283 -5.341 6.299) 9.303 21.556 ( 2.649 -3.098 -5.775) 7.068 23.294 ( -3.683 -1.235 7.296) 8.266 23.439 ( 2.459 -1.631 -6.438) 7.082 26.760 ( -0.381 0.100 0.077) 0.401 26.762 ( 0.450 0.180 -0.054) 0.487 29.223 ( 0.924 14.543 1.893) 14.695 29.291 ( -1.049 16.641 -4.334) 17.228 29.556 ( 8.108 5.492 -0.194) 9.795 29.619 ( -12.373 16.260 -8.586) 22.163 30.774 ( 0.457 1.520 1.769) 2.377 30.808 ( -0.262 1.052 -1.463) 1.821 31.216 ( 0.455 2.595 3.530) 4.405 31.301 ( -0.754 3.828 -4.422) 5.897 32.213 ( -0.594 1.460 0.237) 1.594 32.220 ( 0.499 0.997 -0.408) 1.188 32.520 ( 1.812 0.340 2.103) 2.797 32.575 ( 1.081 2.953 -3.489) 4.697 33.745 ( -1.765 -0.770 11.032) 11.199 33.970 ( 1.353 -1.744 -10.185) 10.422 35.672 ( 1.358 0.355 5.600) 5.773 35.790 ( -0.906 0.760 -5.395) 5.523 36.140 ( 8.735 1.473 4.530) 9.949 36.236 ( -5.655 3.657 -4.162) 7.916 36.454 ( -2.581 0.479 8.482) 8.879 36.637 ( 2.510 -0.431 -8.412) 8.789 38.831 ( -4.612 -25.906 14.793) 30.186 39.039 ( 3.695 -15.512 -6.766) 17.322 ======================= Grid point 154 (73/93) ======================= q-point: ( 0.25 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( 9.931 0.000 -1.037) 9.985 1.033 ( -2.027 -0.000 -1.719) 2.658 1.729 ( 5.638 0.000 1.014) 5.728 1.863 ( 18.243 0.000 -5.591) 19.080 2.094 ( -2.665 -0.000 -2.328) 3.539 2.239 ( 4.463 0.000 0.999) 4.573 2.548 ( 9.897 0.000 -2.279) 10.156 2.956 ( -9.968 -0.000 -4.130) 10.789 3.103 ( -1.785 -0.000 5.511) 5.793 3.166 ( 6.050 0.000 -8.295) 10.267 3.238 ( -8.591 -0.000 18.264) 20.184 3.299 ( -3.557 -0.000 -2.349) 4.262 3.435 ( -4.537 -0.000 -3.707) 5.859 3.653 ( 3.548 0.000 -3.988) 5.338 3.685 ( 3.206 0.000 -0.482) 3.242 3.691 ( -2.870 -0.000 -7.648) 8.169 4.063 ( 1.033 0.000 -7.710) 7.779 4.126 ( -12.539 -0.000 10.694) 16.480 4.181 ( -1.870 -0.000 9.636) 9.815 4.245 ( -4.047 -0.000 0.688) 4.105 4.531 ( -2.198 -0.000 6.670) 7.023 4.675 ( 5.382 0.000 -5.176) 7.467 4.743 ( -3.373 -0.000 -4.090) 5.301 4.843 ( 0.380 0.000 -1.853) 1.892 4.881 ( -6.711 -0.000 0.793) 6.757 5.051 ( 12.030 0.000 -1.083) 12.079 5.111 ( 6.670 0.000 6.615) 9.394 5.175 ( -0.735 -0.000 8.635) 8.666 5.337 ( 0.667 0.000 -7.297) 7.327 5.477 ( 2.018 0.000 -0.263) 2.035 5.681 ( -3.072 -0.000 -3.147) 4.397 5.718 ( 2.890 0.000 3.195) 4.308 6.277 ( -1.191 -0.000 -6.767) 6.871 6.374 ( -1.182 -0.000 -2.429) 2.701 6.568 ( -7.752 -0.000 11.155) 13.584 6.848 ( 6.662 0.000 3.433) 7.495 7.183 ( 4.597 0.000 0.064) 4.598 7.393 ( 1.165 0.000 -8.816) 8.892 7.636 ( -7.411 -0.000 1.390) 7.540 7.717 ( -7.850 -0.000 0.137) 7.851 8.832 ( 1.050 0.000 -4.138) 4.269 8.985 ( -0.678 -0.000 4.324) 4.377 9.049 ( -3.204 -0.000 -7.689) 8.330 9.250 ( 0.705 0.000 2.972) 3.055 9.676 ( -6.655 -0.000 -0.767) 6.699 9.736 ( -0.879 -0.000 -0.970) 1.309 9.811 ( 5.212 0.000 -1.847) 5.529 9.849 ( -10.708 -0.000 4.709) 11.698 10.044 ( 1.862 0.000 1.923) 2.677 10.081 ( 1.203 0.000 -1.011) 1.571 10.388 ( 8.907 0.000 -5.442) 10.438 10.476 ( 4.720 0.000 5.776) 7.459 11.497 ( -0.056 -0.000 0.481) 0.485 11.528 ( 0.608 0.000 0.268) 0.665 11.762 ( -2.905 -0.000 -1.277) 3.173 11.881 ( 1.660 0.000 0.278) 1.683 12.752 ( -11.702 -0.000 -0.895) 11.736 12.852 ( -7.434 -0.000 0.450) 7.448 13.237 ( -0.758 -0.000 -0.741) 1.060 13.356 ( -0.249 -0.000 0.909) 0.942 13.640 ( 0.827 0.000 1.838) 2.015 13.652 ( -0.058 -0.000 -1.542) 1.543 13.929 ( 1.023 0.000 -1.750) 2.027 13.985 ( 4.083 0.000 1.475) 4.341 14.412 ( 2.415 0.000 -0.294) 2.433 14.480 ( -0.573 -0.000 -0.141) 0.590 14.778 ( 14.399 0.000 1.665) 14.495 14.825 ( 11.359 0.000 -0.110) 11.359 15.524 ( 5.343 0.000 -2.679) 5.977 15.649 ( 3.060 0.000 2.753) 4.116 15.788 ( -0.659 -0.000 1.653) 1.779 15.805 ( -0.446 -0.000 -2.652) 2.689 16.620 ( 1.396 0.000 -0.700) 1.562 16.685 ( 0.570 0.000 1.062) 1.205 16.840 ( -4.024 -0.000 4.224) 5.834 16.841 ( 0.813 0.000 -3.455) 3.549 19.287 ( -1.938 -0.000 3.885) 4.342 19.309 ( -5.290 -0.000 -3.654) 6.430 20.172 ( 2.773 0.000 3.853) 4.747 20.458 ( 4.638 0.000 -2.755) 5.395 21.366 ( -4.897 -0.000 7.743) 9.162 21.560 ( -0.380 -0.000 -6.005) 6.017 23.278 ( 0.435 0.000 -8.376) 8.388 23.438 ( -2.049 -0.000 8.796) 9.032 26.730 ( 0.136 0.000 -0.298) 0.328 26.783 ( -0.008 -0.000 0.447) 0.447 29.244 ( 6.665 0.000 -0.484) 6.682 29.660 ( 10.594 0.000 1.342) 10.678 30.194 ( -8.590 -0.000 -3.677) 9.345 30.292 ( -4.403 -0.000 5.541) 7.077 30.791 ( 7.911 0.000 -3.807) 8.779 30.868 ( -0.089 -0.000 1.350) 1.353 31.085 ( 11.658 0.000 -6.676) 13.434 31.621 ( 4.128 0.000 18.818) 19.265 32.232 ( -0.587 -0.000 2.093) 2.173 32.358 ( 0.853 0.000 -0.048) 0.855 32.681 ( 0.055 0.000 -8.408) 8.409 32.698 ( 5.838 0.000 4.881) 7.609 33.807 ( -5.313 -0.000 8.704) 10.198 33.836 ( 3.493 0.000 -7.802) 8.548 35.509 ( -1.217 -0.000 -2.220) 2.531 35.821 ( -0.658 -0.000 -3.361) 3.425 35.877 ( 1.092 0.000 0.372) 1.154 36.487 ( -3.527 -0.000 9.764) 10.382 36.603 ( 3.621 0.000 -8.759) 9.478 36.620 ( 5.027 0.000 -1.218) 5.172 38.172 ( -5.597 -0.000 -21.420) 22.139 38.248 ( -14.997 -0.000 17.161) 22.791 ======================= Grid point 155 (74/93) ======================= q-point: ( 0.38 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( 1.689 2.011 -0.859) 2.763 1.092 ( 3.411 0.852 -0.073) 3.517 1.803 ( -6.235 3.053 6.498) 9.509 2.046 ( 12.124 7.235 -5.571) 15.178 2.149 ( 13.793 -6.556 1.938) 15.394 2.285 ( -1.846 2.222 2.436) 3.779 2.608 ( 2.037 2.449 -7.715) 8.347 2.812 ( -8.907 -11.848 -8.774) 17.225 2.898 ( -5.048 9.265 4.752) 11.572 3.195 ( 1.289 6.467 0.533) 6.616 3.218 ( -4.264 -1.851 -3.058) 5.565 3.330 ( -0.336 2.078 9.677) 9.903 3.451 ( 0.023 -5.217 4.564) 6.932 3.505 ( -4.100 2.297 -4.429) 6.458 3.693 ( -5.524 -8.603 3.027) 10.663 3.765 ( 6.837 -4.725 -6.674) 10.659 4.019 ( -0.312 4.825 1.206) 4.983 4.127 ( -0.856 -1.270 -0.037) 1.532 4.152 ( -4.097 -3.840 -2.526) 6.157 4.237 ( 3.714 -1.063 2.452) 4.575 4.453 ( -4.134 8.608 1.068) 9.609 4.653 ( 1.382 -0.228 0.877) 1.653 4.814 ( 1.410 -6.134 0.107) 6.295 4.835 ( -0.290 -0.285 0.612) 0.735 4.906 ( 5.200 -0.808 3.189) 6.153 5.195 ( 1.549 2.938 2.407) 4.101 5.210 ( -0.378 2.871 3.869) 4.833 5.285 ( 9.673 -0.071 -4.932) 10.858 5.327 ( 3.607 -6.076 4.449) 8.350 5.418 ( -5.707 -0.530 -2.209) 6.142 5.670 ( 5.196 5.511 -1.781) 7.781 5.829 ( 4.944 -5.593 0.696) 7.497 6.199 ( -1.601 3.561 -5.901) 7.076 6.337 ( -0.361 -0.299 -2.095) 2.147 6.556 ( -2.815 -0.564 10.365) 10.755 6.977 ( 8.502 2.384 1.822) 9.016 7.245 ( 3.345 1.395 1.436) 3.898 7.334 ( -0.887 0.998 -9.316) 9.412 7.484 ( -7.660 3.368 1.625) 8.524 7.615 ( -9.125 -5.463 -0.582) 10.652 8.801 ( -0.383 2.505 -3.065) 3.977 8.976 ( 2.701 -0.946 -7.058) 7.617 9.025 ( -1.983 -3.997 0.692) 4.515 9.273 ( -0.716 1.004 3.311) 3.533 9.542 ( -5.791 2.344 -0.132) 6.249 9.634 ( -14.750 -1.213 2.971) 15.095 9.723 ( -5.056 -3.234 0.731) 6.046 9.806 ( -5.010 -1.525 -1.339) 5.405 10.152 ( 8.505 1.662 2.954) 9.156 10.177 ( 9.726 1.880 0.262) 9.910 10.462 ( 7.988 3.347 -3.102) 9.200 10.591 ( 1.796 -3.189 2.671) 4.531 11.445 ( -6.664 0.988 1.102) 6.826 11.478 ( -7.517 -0.094 -0.838) 7.564 11.683 ( -5.377 -0.990 -1.938) 5.800 11.868 ( -3.088 0.462 -0.493) 3.161 12.628 ( 2.915 2.493 -0.957) 3.953 12.843 ( -0.523 -7.310 0.427) 7.341 13.252 ( 1.504 -1.856 -0.032) 2.389 13.378 ( 1.292 -1.580 -0.022) 2.041 13.608 ( 0.799 5.364 0.265) 5.430 13.700 ( 0.208 -3.667 0.193) 3.678 13.919 ( 1.658 3.467 -0.529) 3.879 14.059 ( 0.982 -2.006 0.282) 2.251 14.455 ( 4.267 2.224 0.110) 4.813 14.486 ( 2.000 0.259 0.551) 2.091 14.829 ( 12.074 15.369 0.617) 19.554 15.094 ( 3.579 -9.475 0.371) 10.136 15.561 ( 1.633 -0.263 -2.350) 2.874 15.691 ( -0.064 -0.481 1.724) 1.791 15.760 ( 0.577 4.175 -0.572) 4.253 15.827 ( 2.368 -1.132 0.353) 2.649 16.649 ( 1.682 -1.276 0.163) 2.118 16.670 ( -2.345 0.712 -0.311) 2.470 16.799 ( -2.533 0.640 2.711) 3.764 16.819 ( -2.190 -0.757 -1.883) 2.986 19.218 ( -1.674 0.749 -3.577) 4.020 19.300 ( -1.305 -2.503 2.503) 3.772 20.228 ( 2.623 2.476 4.136) 5.488 20.512 ( 4.289 -0.378 -4.094) 5.941 21.331 ( -5.320 -0.363 7.313) 9.051 21.513 ( -0.272 -0.125 -6.991) 6.997 23.251 ( 1.196 -2.074 -7.610) 7.978 23.441 ( -4.817 -0.927 7.861) 9.266 26.724 ( 0.605 1.610 -0.115) 1.723 26.793 ( -0.263 -1.363 0.286) 1.417 29.295 ( 5.924 9.642 1.061) 11.366 29.801 ( -2.177 -10.673 3.175) 11.346 29.981 ( -8.378 7.487 -0.926) 11.274 30.397 ( 6.714 -10.668 -3.562) 13.098 30.839 ( 1.779 -0.026 -1.826) 2.550 30.871 ( 0.136 0.741 0.747) 1.061 31.265 ( 17.302 3.715 -9.425) 20.050 31.680 ( -2.821 5.737 9.349) 11.326 32.256 ( -0.018 -2.198 3.399) 4.048 32.346 ( -0.996 0.132 -1.876) 2.128 32.593 ( -3.699 1.148 -7.059) 8.052 32.825 ( 3.274 0.199 7.278) 7.983 33.757 ( -6.426 0.122 5.983) 8.781 33.862 ( 4.097 -1.523 -6.524) 7.853 35.508 ( 1.184 0.026 1.598) 1.989 35.816 ( 0.147 0.135 3.740) 3.745 35.888 ( 0.796 -0.086 -1.470) 1.674 36.473 ( -4.935 0.647 8.876) 10.176 36.600 ( 3.221 0.499 -7.779) 8.434 36.680 ( 3.144 0.045 -3.080) 4.401 37.981 ( -1.706 6.119 -7.209) 9.609 38.198 ( -6.159 -8.324 5.522) 11.736 ======================= Grid point 156 (75/93) ======================= q-point: (-0.50 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( 3.592 2.874 -0.361) 4.614 1.101 ( 0.210 1.168 1.028) 1.571 1.668 ( -3.206 3.222 -8.981) 10.066 1.939 ( -2.796 15.109 -1.841) 15.475 2.166 ( -9.456 11.435 7.459) 16.607 2.506 ( 0.828 -8.540 1.172) 8.660 2.603 ( 16.820 -1.357 4.979) 17.594 2.774 ( -1.509 3.757 -3.755) 5.522 2.879 ( 3.112 -0.598 -3.121) 4.448 3.068 ( -4.270 6.516 4.872) 9.189 3.171 ( -2.696 0.076 -4.335) 5.106 3.292 ( -3.941 -0.868 1.987) 4.498 3.452 ( -3.227 -2.418 -1.258) 4.224 3.610 ( 6.467 -3.976 10.878) 13.265 3.692 ( -6.908 -1.259 8.029) 10.666 3.923 ( 7.059 -5.782 -3.508) 9.776 3.995 ( -1.444 4.768 -9.912) 11.093 4.018 ( 1.468 -5.903 -1.099) 6.181 4.244 ( 2.063 -3.616 2.717) 4.971 4.282 ( 2.065 5.278 -3.572) 6.699 4.380 ( 2.438 -5.040 1.584) 5.818 4.697 ( 1.939 0.053 1.824) 2.663 4.845 ( -1.472 -1.168 -0.135) 1.884 4.902 ( 1.702 -6.733 0.822) 6.993 5.010 ( -5.313 3.006 7.139) 9.393 5.055 ( 0.375 0.978 -3.017) 3.194 5.180 ( -2.583 0.122 -3.433) 4.298 5.319 ( -3.179 0.375 0.397) 3.226 5.388 ( 5.589 3.313 -0.076) 6.498 5.542 ( 4.333 -7.084 4.840) 9.612 5.669 ( 5.183 7.795 -1.944) 9.561 5.932 ( 1.402 -0.322 -3.018) 3.343 6.138 ( 3.389 -0.485 -1.909) 3.920 6.364 ( 1.285 -4.459 -1.486) 4.872 6.609 ( 2.657 0.551 7.041) 7.546 7.084 ( 5.360 0.821 -0.382) 5.436 7.227 ( -2.982 2.783 -7.099) 8.187 7.293 ( 4.247 2.492 1.165) 5.060 7.413 ( -2.205 -2.683 3.139) 4.682 7.518 ( -6.112 -3.041 -1.956) 7.102 8.743 ( -0.963 2.176 -2.541) 3.481 8.977 ( -3.754 -2.207 -2.556) 5.049 9.057 ( 3.095 -3.814 -5.993) 7.749 9.271 ( 1.100 1.458 5.114) 5.430 9.437 ( -12.149 -2.489 3.102) 12.784 9.467 ( -2.477 1.328 -0.469) 2.849 9.674 ( -13.070 -5.027 1.900) 14.132 9.715 ( -2.532 -3.342 -1.945) 4.622 10.262 ( 5.961 7.111 2.472) 9.603 10.297 ( 9.673 4.240 1.548) 10.675 10.573 ( 8.288 0.416 -0.068) 8.299 10.628 ( 0.347 -2.272 -0.486) 2.349 11.301 ( -10.190 0.212 1.193) 10.262 11.312 ( -10.272 -0.018 -1.725) 10.416 11.595 ( -6.424 -2.526 -1.578) 7.081 11.769 ( -7.262 0.570 -1.491) 7.435 12.777 ( 12.664 -3.879 -0.846) 13.272 12.965 ( 6.559 -5.704 0.407) 8.702 13.306 ( 1.962 -1.623 0.693) 2.639 13.429 ( 4.001 -1.370 -0.866) 4.317 13.558 ( -0.340 5.050 0.112) 5.063 13.728 ( -0.468 -2.064 0.442) 2.162 13.911 ( 2.257 4.677 0.318) 5.203 14.046 ( -2.220 -0.144 -0.900) 2.400 14.458 ( -1.754 3.789 -0.495) 4.204 14.550 ( 5.502 2.660 2.223) 6.503 14.866 ( 7.496 10.718 0.470) 13.088 15.138 ( -1.239 -1.001 -0.264) 1.615 15.574 ( 0.481 -0.756 -1.270) 1.555 15.677 ( -2.877 0.029 1.735) 3.360 15.731 ( 2.563 5.981 -1.589) 6.698 15.876 ( 3.276 2.092 0.442) 3.912 16.603 ( -2.952 2.016 -0.481) 3.607 16.690 ( 0.005 -1.566 -0.028) 1.567 16.771 ( -1.693 -0.393 -1.005) 2.008 16.781 ( -2.111 0.531 2.035) 2.980 19.202 ( 2.136 -1.874 -3.931) 4.851 19.329 ( -1.174 -4.351 1.807) 4.855 20.257 ( 2.259 4.506 4.043) 6.462 20.538 ( 2.965 1.887 -5.295) 6.355 21.303 ( -5.012 -1.804 7.177) 8.938 21.475 ( 0.559 -1.174 -7.581) 7.692 23.261 ( 2.157 -3.219 -6.547) 7.608 23.400 ( -7.661 -2.071 6.496) 10.256 26.723 ( 1.268 1.354 0.036) 1.855 26.799 ( -0.706 -0.933 0.161) 1.181 29.283 ( 5.361 10.109 1.111) 11.497 29.745 ( -12.366 -1.970 1.128) 12.572 29.895 ( -2.396 -0.870 6.086) 6.598 30.576 ( 8.310 -6.439 -12.318) 16.194 30.844 ( 0.703 0.657 -2.459) 2.641 30.865 ( -0.008 1.189 0.344) 1.238 31.404 ( 14.602 8.417 -10.948) 20.098 31.580 ( -4.573 8.053 3.713) 9.977 32.295 ( -0.029 -0.509 -0.438) 0.672 32.322 ( -0.929 -0.494 1.723) 2.019 32.474 ( -4.857 0.416 -2.961) 5.704 32.849 ( -2.253 2.552 1.417) 3.687 33.695 ( -4.961 0.000 5.808) 7.639 33.904 ( 3.238 -2.518 -6.448) 7.642 35.559 ( 2.479 0.115 4.566) 5.197 35.873 ( 1.824 1.119 8.404) 8.672 35.887 ( 1.418 0.179 -0.698) 1.590 36.435 ( -5.200 0.609 7.830) 9.418 36.601 ( 2.895 -0.261 -7.073) 7.647 36.668 ( 0.082 2.658 -4.806) 5.493 37.923 ( -0.759 1.235 7.877) 8.009 38.279 ( 1.823 -13.417 -4.620) 14.307 ======================= Grid point 157 (76/93) ======================= q-point: (-0.38 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( 2.563 6.153 1.897) 6.930 1.100 ( -2.021 -1.075 2.658) 3.508 1.508 ( -1.520 15.995 0.899) 16.092 1.739 ( -4.024 8.907 -5.292) 11.114 1.983 ( -1.253 11.130 2.428) 11.461 2.462 ( -6.940 8.932 -12.576) 16.915 2.613 ( -0.322 11.494 10.537) 15.596 2.814 ( 3.606 8.387 8.334) 12.361 2.923 ( 3.117 -3.438 -1.770) 4.967 3.129 ( 2.838 -0.601 2.205) 3.643 3.144 ( 2.962 -13.172 -2.677) 13.764 3.297 ( -0.545 1.472 3.568) 3.899 3.413 ( -5.835 -3.688 2.846) 7.466 3.550 ( -10.284 7.879 6.497) 14.493 3.773 ( 0.355 -4.296 -0.594) 4.351 3.820 ( 2.512 15.237 -9.759) 18.268 4.054 ( 4.325 -3.629 2.989) 6.388 4.161 ( 0.922 -10.737 3.062) 11.203 4.239 ( 6.752 1.855 -1.295) 7.121 4.433 ( -0.361 -9.881 -2.120) 10.112 4.499 ( 6.971 -6.808 2.275) 10.006 4.686 ( -3.974 -0.553 -7.579) 8.575 4.818 ( -0.234 -4.018 2.948) 4.989 4.858 ( -7.978 4.232 6.829) 11.322 5.024 ( 2.711 -9.083 0.364) 9.486 5.085 ( -3.912 -0.947 -3.505) 5.338 5.175 ( 4.929 -1.821 2.264) 5.721 5.274 ( -0.235 1.407 -0.223) 1.444 5.435 ( 4.323 4.666 1.012) 6.440 5.570 ( 0.117 5.023 -0.554) 5.055 5.738 ( 3.428 -3.532 0.330) 4.933 5.867 ( -2.113 2.265 -3.004) 4.315 6.283 ( 8.799 -6.109 -2.447) 10.987 6.412 ( -2.278 -6.173 -0.184) 6.582 6.710 ( 5.819 1.402 5.356) 8.032 7.052 ( -4.434 3.642 -5.489) 7.940 7.179 ( 1.316 -3.856 -0.969) 4.189 7.322 ( -2.497 -2.915 -2.079) 4.365 7.442 ( 2.154 -1.442 3.328) 4.218 7.541 ( 5.551 0.125 -0.238) 5.558 8.725 ( 2.353 -0.279 -1.951) 3.070 8.888 ( -6.446 -0.566 -0.454) 6.486 9.072 ( 0.271 -0.651 -2.611) 2.705 9.304 ( -7.140 -0.752 1.622) 7.361 9.333 ( -4.125 -0.268 1.778) 4.500 9.442 ( 1.952 0.230 -2.380) 3.087 9.552 ( -5.500 -7.797 3.511) 10.167 9.717 ( -2.781 -5.717 -1.601) 6.556 10.266 ( 3.633 8.020 1.789) 8.984 10.368 ( 2.567 5.369 0.710) 5.993 10.608 ( 0.747 2.378 5.815) 6.327 10.748 ( 9.138 -1.255 -4.523) 10.273 11.162 ( -7.512 -1.165 -0.607) 7.626 11.178 ( -6.908 -3.178 0.109) 7.605 11.520 ( -4.496 -2.557 -1.035) 5.275 11.631 ( -7.117 0.085 -2.701) 7.613 13.016 ( 9.845 -5.685 -0.102) 11.369 13.131 ( 5.650 -4.826 -0.235) 7.434 13.339 ( 1.679 1.301 0.652) 2.222 13.452 ( -0.810 4.497 -1.033) 4.684 13.585 ( 7.117 -2.929 -0.106) 7.697 13.740 ( -0.128 -1.128 0.599) 1.284 13.881 ( 0.431 5.090 -0.287) 5.117 14.029 ( 0.290 1.344 0.367) 1.423 14.324 ( -6.635 6.747 0.354) 9.470 14.521 ( -5.192 6.637 -0.453) 8.439 14.892 ( 7.502 7.219 3.269) 10.912 15.147 ( 1.942 0.821 -2.022) 2.921 15.557 ( -0.856 3.726 0.974) 3.945 15.632 ( -3.399 0.319 0.623) 3.470 15.694 ( 3.122 7.507 -2.078) 8.392 15.860 ( 0.169 6.890 -3.063) 7.542 16.555 ( -0.081 1.316 0.411) 1.381 16.660 ( -3.052 0.155 -1.054) 3.233 16.752 ( -1.116 2.315 1.540) 2.996 16.760 ( -0.761 -0.390 0.152) 0.869 19.275 ( 5.025 -5.059 -2.982) 7.729 19.366 ( -2.365 -6.456 0.913) 6.936 20.263 ( 1.531 5.601 4.465) 7.324 20.492 ( 0.796 5.539 -7.093) 9.035 21.301 ( -4.256 -3.492 7.471) 9.280 21.464 ( 1.864 -2.509 -7.924) 8.518 23.291 ( -1.741 -2.333 0.654) 2.983 23.339 ( -3.529 -4.032 -0.611) 5.393 26.739 ( 1.852 0.605 0.049) 1.949 26.789 ( -1.314 -0.143 0.133) 1.328 29.304 ( 7.815 6.968 1.001) 10.518 29.592 ( -9.200 -0.933 0.568) 9.265 29.856 ( -5.028 7.191 9.980) 13.289 30.538 ( -2.721 4.978 -26.119) 26.728 30.820 ( 1.174 2.942 -0.482) 3.204 30.854 ( -0.263 1.149 -0.097) 1.183 31.385 ( 1.252 11.027 -0.433) 11.106 31.493 ( 4.771 7.614 -6.342) 10.998 32.271 ( -0.390 1.274 -1.602) 2.084 32.291 ( -3.364 1.462 0.331) 3.683 32.460 ( 1.321 -1.400 4.358) 4.764 32.742 ( -4.611 3.430 -4.202) 7.119 33.686 ( -1.983 -0.525 8.134) 8.389 33.928 ( 1.914 -2.609 -7.577) 8.239 35.626 ( 1.790 0.306 5.813) 6.090 35.858 ( -0.127 0.770 -4.461) 4.528 36.016 ( 6.828 1.934 12.463) 14.342 36.395 ( -4.754 0.632 6.542) 8.112 36.574 ( -2.067 5.348 -4.465) 7.267 36.613 ( 2.632 -1.528 -7.811) 8.383 38.042 ( -1.247 -10.710 20.045) 22.761 38.453 ( 5.716 -17.610 -10.695) 21.381 ======================= Grid point 158 (77/93) ======================= q-point: (-0.25 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( 2.459 9.132 4.951) 10.675 1.096 ( -2.620 -0.137 -0.164) 2.629 1.341 ( -2.613 13.157 13.903) 19.319 1.642 ( 9.102 15.656 4.899) 18.761 1.843 ( -3.431 6.273 -10.035) 12.322 2.119 ( 0.107 18.197 -19.246) 26.487 2.631 ( 3.014 13.529 19.183) 23.667 2.823 ( 1.813 0.282 1.076) 2.127 2.988 ( 1.870 8.410 4.280) 9.620 3.119 ( -11.898 3.063 -2.350) 12.508 3.201 ( -0.982 0.585 4.133) 4.289 3.322 ( 2.429 -11.492 -6.841) 13.593 3.382 ( 1.152 -1.604 2.136) 2.909 3.433 ( 1.589 0.825 -1.245) 2.181 3.684 ( 3.840 10.628 -2.464) 11.567 3.762 ( 2.278 2.918 -8.553) 9.320 4.158 ( -2.053 -2.978 10.617) 11.216 4.255 ( -5.719 -8.742 6.505) 12.306 4.343 ( 2.337 -4.057 -1.203) 4.834 4.448 ( -3.210 -4.860 -1.396) 5.989 4.545 ( -9.915 0.848 3.202) 10.454 4.658 ( 8.019 -0.433 -7.871) 11.245 4.812 ( 0.434 1.206 6.143) 6.275 4.880 ( -2.167 -6.171 1.002) 6.617 5.077 ( 3.248 -3.111 -1.668) 4.797 5.119 ( -2.087 -5.426 -5.517) 8.015 5.259 ( 0.233 -3.846 5.128) 6.415 5.308 ( 1.480 -4.299 -0.105) 4.548 5.435 ( 0.167 4.576 3.435) 5.724 5.544 ( 3.425 2.431 -4.995) 6.526 5.780 ( -0.008 -2.410 2.754) 3.660 5.844 ( -2.549 -6.251 -3.099) 7.428 6.393 ( -6.643 -5.273 1.834) 8.678 6.463 ( 7.287 -4.809 -4.108) 9.649 6.822 ( 5.463 0.271 4.098) 6.834 6.912 ( -4.705 1.966 -4.604) 6.870 7.224 ( -5.348 -6.313 3.713) 9.068 7.341 ( 5.448 -5.686 -5.847) 9.808 7.525 ( 2.822 0.707 2.306) 3.712 7.565 ( -1.791 1.232 -1.102) 2.437 8.798 ( 0.215 -2.948 -0.148) 2.960 8.812 ( 0.097 -3.554 -1.271) 3.775 9.107 ( -8.389 1.780 0.830) 8.615 9.117 ( 7.823 1.909 -0.068) 8.053 9.361 ( 0.208 -0.901 3.146) 3.279 9.429 ( -0.296 -0.646 -3.279) 3.355 9.654 ( -1.671 -7.500 3.626) 8.497 9.739 ( 3.236 -6.232 -4.302) 8.235 10.240 ( -3.552 4.714 4.329) 7.320 10.305 ( 1.850 6.671 -1.922) 7.185 10.650 ( 0.717 2.298 6.824) 7.236 10.788 ( 0.331 3.544 -6.230) 7.176 11.120 ( -1.886 -3.509 1.966) 4.442 11.156 ( 1.333 -4.039 -1.288) 4.444 11.511 ( 1.497 -1.658 -0.215) 2.244 11.539 ( -1.736 -0.937 -2.866) 3.479 13.175 ( 2.538 -5.062 1.005) 5.751 13.199 ( -2.875 -5.309 -1.303) 6.177 13.353 ( 1.071 3.193 0.956) 3.501 13.375 ( -1.261 3.595 -1.177) 3.988 13.729 ( -5.116 -3.517 0.476) 6.227 13.736 ( 4.965 -3.123 -0.139) 5.868 13.889 ( 6.437 7.271 0.604) 9.729 13.901 ( -6.644 6.155 -0.508) 9.071 14.267 ( 6.386 6.553 2.640) 9.523 14.325 ( -6.217 6.512 -2.922) 9.465 14.946 ( 3.101 10.125 6.568) 12.461 15.087 ( -2.929 5.873 -6.476) 9.220 15.490 ( -0.686 8.400 2.888) 8.909 15.569 ( -0.250 4.910 -3.923) 6.290 15.678 ( 4.303 5.451 -0.069) 6.946 15.713 ( -4.056 6.470 -3.275) 8.309 16.585 ( 1.975 0.474 0.428) 2.076 16.601 ( -0.823 0.725 -1.160) 1.597 16.732 ( 0.876 1.792 0.822) 2.157 16.744 ( -0.184 1.614 -0.210) 1.638 19.377 ( -4.433 -7.776 1.476) 9.072 19.418 ( 4.415 -7.148 -2.549) 8.780 20.239 ( -1.817 6.192 5.761) 8.651 20.384 ( 1.819 7.721 -8.343) 11.512 21.328 ( -3.557 -4.490 7.723) 9.615 21.485 ( 2.732 -3.501 -7.415) 8.643 23.247 ( -7.077 -3.086 7.467) 10.741 23.391 ( 5.356 -3.004 -6.185) 8.715 26.763 ( -1.058 0.156 0.201) 1.088 26.766 ( 1.141 0.265 -0.140) 1.180 29.417 ( 5.523 2.181 1.748) 6.190 29.434 ( -5.878 4.094 0.652) 7.192 29.759 ( 1.434 14.385 9.921) 17.533 30.121 ( -4.441 22.438 -25.885) 34.543 30.813 ( -0.553 2.160 1.117) 2.494 30.835 ( 0.580 1.473 -0.977) 1.860 31.303 ( -3.056 5.928 4.860) 8.253 31.430 ( 2.656 8.760 -7.398) 11.770 32.235 ( -1.701 0.891 0.876) 2.111 32.254 ( 1.118 1.935 -0.932) 2.421 32.535 ( 2.966 0.881 4.010) 5.065 32.632 ( -0.264 2.269 -5.946) 6.369 33.726 ( -1.444 -0.933 9.757) 9.908 33.926 ( 1.228 -2.419 -8.975) 9.376 35.682 ( 1.240 0.532 6.132) 6.279 35.810 ( -0.629 1.089 -5.784) 5.919 36.182 ( 7.745 2.469 8.212) 11.555 36.320 ( -4.709 3.872 -2.262) 6.502 36.475 ( -3.388 1.883 3.275) 5.075 36.624 ( 3.116 -0.792 -7.862) 8.495 38.306 ( -6.246 -22.638 23.072) 32.921 38.661 ( 4.715 -19.836 -12.325) 23.824 ======================= Grid point 159 (78/93) ======================= q-point: (-0.12 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.911 ( -2.737 13.427 -2.906) 14.008 1.022 ( 1.792 7.692 1.517) 8.042 1.461 ( 6.857 -4.584 19.002) 20.715 1.651 ( 1.777 0.746 -25.167) 25.241 1.746 ( 12.220 14.259 5.920) 19.690 1.970 ( 17.437 17.011 -5.951) 25.077 2.576 ( -4.872 13.353 -1.475) 14.290 2.728 ( -4.357 15.187 5.243) 16.647 2.942 ( 6.137 -1.524 2.971) 6.987 3.004 ( 0.675 6.231 3.742) 7.299 3.257 ( -2.860 -6.722 9.220) 11.763 3.320 ( -2.818 -3.724 -6.628) 8.108 3.475 ( 6.242 0.556 -5.087) 8.071 3.528 ( 5.208 -3.324 -0.809) 6.232 3.710 ( 8.852 0.956 -0.785) 8.938 3.756 ( 7.580 3.289 -11.146) 13.875 4.113 ( -10.848 1.776 9.227) 14.352 4.241 ( -11.137 -7.637 2.935) 13.820 4.352 ( -3.692 -1.636 2.146) 4.573 4.436 ( -1.152 -0.726 5.192) 5.368 4.499 ( 0.435 -4.168 6.047) 7.357 4.720 ( -4.100 -4.056 -2.432) 6.259 4.800 ( 3.139 6.286 0.912) 7.085 4.902 ( 0.247 0.800 -1.812) 1.996 5.039 ( -5.311 -3.387 -2.710) 6.857 5.178 ( 2.283 -3.168 -0.704) 3.968 5.268 ( -7.142 -2.410 2.432) 7.920 5.318 ( -3.338 -2.085 -2.577) 4.704 5.408 ( -2.175 0.508 2.417) 3.291 5.517 ( 0.568 2.346 -7.700) 8.070 5.810 ( -6.473 -4.591 -2.400) 8.291 5.880 ( -2.214 -10.107 5.114) 11.542 6.350 ( -5.043 -4.695 1.743) 7.108 6.544 ( 0.129 -2.416 -3.705) 4.425 6.795 ( -6.619 -2.227 -3.445) 7.787 6.934 ( 4.734 -1.197 2.183) 5.348 7.169 ( -10.868 0.612 4.671) 11.845 7.432 ( -1.118 0.683 -4.755) 4.932 7.516 ( 3.074 -4.854 1.855) 6.038 7.581 ( 3.789 -4.407 -2.261) 6.236 8.783 ( -2.413 -5.516 -0.885) 6.086 8.931 ( 5.291 -2.861 -0.141) 6.016 9.062 ( 1.689 -2.572 0.646) 3.144 9.287 ( 14.156 2.680 -0.100) 14.408 9.383 ( 0.154 2.035 0.943) 2.248 9.396 ( 0.279 0.023 -1.842) 1.863 9.686 ( -1.585 -4.657 1.080) 5.036 9.875 ( 6.098 -6.528 -2.979) 9.417 10.113 ( -7.227 3.507 2.334) 8.365 10.297 ( 1.551 3.396 1.166) 3.911 10.618 ( -7.183 3.433 4.682) 9.236 10.640 ( -5.586 5.982 -5.774) 10.017 11.188 ( 5.951 -2.796 1.214) 6.686 11.265 ( 6.097 -3.576 -0.524) 7.088 11.577 ( 5.843 -1.729 -0.781) 6.144 11.588 ( 5.298 -1.156 0.543) 5.450 13.152 ( -8.520 -6.188 -0.675) 10.551 13.206 ( -4.826 -3.444 0.603) 5.959 13.319 ( 0.975 2.781 1.142) 3.160 13.372 ( 3.517 -0.916 -0.282) 3.645 13.644 ( -4.369 2.340 -0.196) 4.960 13.674 ( -7.405 0.217 0.020) 7.409 13.859 ( 3.371 -0.792 0.213) 3.469 14.001 ( 1.753 1.355 -0.049) 2.216 14.185 ( 8.734 8.933 -1.406) 12.572 14.339 ( 2.856 7.729 1.478) 8.371 14.744 ( -9.821 14.393 -2.003) 17.539 14.963 ( 3.471 15.897 0.958) 16.300 15.429 ( 0.945 6.757 2.661) 7.323 15.467 ( 0.648 8.081 -2.554) 8.499 15.660 ( 2.361 -1.200 -0.119) 2.651 15.733 ( 4.625 0.978 0.513) 4.755 16.540 ( -0.911 1.753 -0.606) 2.067 16.644 ( 2.133 0.598 -0.973) 2.420 16.741 ( 3.875 2.426 -2.108) 5.034 16.763 ( 3.108 -0.278 0.877) 3.241 19.364 ( -6.984 -7.383 1.049) 10.217 19.525 ( 0.620 -6.037 -1.337) 6.215 20.146 ( -3.970 5.833 3.343) 7.808 20.338 ( 5.211 6.005 -3.624) 8.738 21.365 ( -3.552 -4.004 7.952) 9.585 21.527 ( 2.948 -3.800 -5.941) 7.644 23.249 ( -3.278 -4.183 7.241) 8.982 23.457 ( 4.706 0.279 -4.827) 6.748 26.735 ( -1.677 -0.241 -0.008) 1.694 26.787 ( 1.293 0.577 -0.084) 1.418 29.143 ( -10.852 9.279 -0.037) 14.278 29.569 ( 0.194 5.507 -1.123) 5.623 29.767 ( 19.469 16.774 11.220) 28.041 29.920 ( 18.833 12.389 -9.914) 24.626 30.761 ( -3.963 1.721 0.275) 4.329 30.825 ( 0.416 1.921 -0.367) 2.000 31.196 ( -7.369 2.711 1.868) 8.071 31.328 ( -0.776 7.759 -1.820) 8.007 32.229 ( 0.940 0.398 0.636) 1.202 32.259 ( 2.109 2.027 -0.108) 2.927 32.549 ( 0.363 0.383 -1.587) 1.673 32.645 ( 7.015 3.380 -3.617) 8.586 33.769 ( -2.437 -1.100 10.359) 10.699 33.908 ( 1.134 -1.772 -9.436) 9.668 35.735 ( 1.205 0.403 4.834) 4.999 35.745 ( -1.092 0.981 -5.579) 5.769 36.152 ( -4.951 4.904 -7.625) 10.330 36.314 ( 6.333 2.057 4.150) 7.847 36.460 ( -2.675 -0.414 7.429) 7.906 36.628 ( 3.085 0.102 -7.995) 8.570 38.499 ( -15.654 -23.116 17.163) 32.771 38.807 ( -2.725 -17.423 -10.937) 20.750 ======================= Grid point 163 (79/93) ======================= q-point: ( 0.38 -0.62 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( 3.656 0.000 0.270) 3.666 1.118 ( -1.325 -0.000 0.849) 1.574 1.693 ( -4.928 -0.000 -4.331) 6.560 2.178 ( -2.649 -0.000 0.117) 2.652 2.311 ( -7.064 -0.000 -4.912) 8.604 2.385 ( 16.326 0.000 7.042) 17.779 2.461 ( -0.908 -0.000 0.496) 1.035 2.751 ( 6.499 0.000 -5.532) 8.535 2.970 ( 2.971 0.000 2.432) 3.839 3.139 ( 2.450 0.000 -0.490) 2.499 3.266 ( -9.132 -0.000 1.442) 9.245 3.369 ( 8.008 0.000 -1.101) 8.083 3.443 ( -5.488 -0.000 8.752) 10.330 3.449 ( -3.303 -0.000 -5.712) 6.598 3.588 ( 1.804 0.000 9.064) 9.242 3.826 ( 5.290 0.000 -2.906) 6.036 4.013 ( -2.253 -0.000 -9.772) 10.028 4.054 ( -3.364 -0.000 8.301) 8.957 4.147 ( 5.686 0.000 -2.985) 6.422 4.321 ( 4.305 0.000 4.437) 6.182 4.435 ( -2.360 -0.000 -2.988) 3.807 4.684 ( 0.848 0.000 0.517) 0.993 4.796 ( 0.325 0.000 3.200) 3.217 4.852 ( 0.633 0.000 -2.286) 2.372 5.022 ( 5.164 0.000 6.739) 8.490 5.097 ( -9.567 -0.000 -8.906) 13.071 5.186 ( -8.013 -0.000 3.489) 8.739 5.299 ( -2.044 -0.000 -0.841) 2.210 5.436 ( 5.730 0.000 7.385) 9.347 5.439 ( 6.478 0.000 0.150) 6.480 5.804 ( 7.067 0.000 -3.100) 7.717 5.868 ( 5.007 0.000 -1.941) 5.370 6.189 ( 2.031 0.000 -6.179) 6.504 6.280 ( -4.969 -0.000 2.712) 5.661 6.617 ( 3.113 0.000 8.217) 8.787 7.091 ( 3.128 0.000 -0.993) 3.282 7.261 ( -0.902 -0.000 -10.284) 10.324 7.318 ( -0.252 -0.000 1.483) 1.504 7.379 ( -5.198 -0.000 3.753) 6.411 7.501 ( 0.097 0.000 -0.961) 0.966 8.778 ( -1.155 -0.000 -3.348) 3.542 8.959 ( 4.482 0.000 -6.811) 8.154 8.999 ( -1.798 -0.000 -1.116) 2.117 9.293 ( -0.832 -0.000 4.622) 4.696 9.409 ( -13.831 -0.000 4.969) 14.697 9.484 ( -3.110 -0.000 -1.661) 3.526 9.609 ( -7.951 -0.000 1.676) 8.126 9.680 ( -6.893 -0.000 -1.801) 7.125 10.331 ( 8.743 0.000 5.169) 10.156 10.389 ( 13.003 0.000 -0.368) 13.008 10.536 ( 4.418 0.000 -5.070) 6.725 10.599 ( -1.581 -0.000 3.865) 4.175 11.312 ( -11.302 -0.000 1.823) 11.448 11.313 ( -10.264 -0.000 -2.421) 10.546 11.565 ( -6.331 -0.000 -1.987) 6.635 11.775 ( -7.726 -0.000 -1.297) 7.834 12.740 ( 11.078 0.000 -1.238) 11.147 12.901 ( 9.245 0.000 0.840) 9.283 13.292 ( 4.208 0.000 0.647) 4.257 13.414 ( 4.041 0.000 -0.864) 4.132 13.650 ( -2.091 -0.000 1.422) 2.529 13.663 ( 0.141 0.000 -1.039) 1.049 13.976 ( 3.172 0.000 0.838) 3.281 14.033 ( -2.414 -0.000 -1.419) 2.801 14.493 ( -1.091 -0.000 -0.826) 1.368 14.577 ( 6.514 0.000 2.563) 7.000 15.015 ( -3.027 -0.000 1.663) 3.454 15.095 ( 6.408 0.000 -1.373) 6.554 15.565 ( 1.972 0.000 -2.581) 3.248 15.667 ( -3.765 -0.000 2.121) 4.321 15.838 ( 5.804 0.000 -2.759) 6.426 15.867 ( 2.577 0.000 3.000) 3.955 16.628 ( -2.806 -0.000 -0.295) 2.821 16.668 ( 0.921 0.000 0.490) 1.043 16.764 ( -2.238 -0.000 -1.557) 2.726 16.789 ( -1.126 -0.000 2.294) 2.555 19.188 ( 1.470 0.000 -4.997) 5.209 19.277 ( -2.293 -0.000 3.009) 3.783 20.310 ( 1.968 0.000 5.386) 5.734 20.554 ( 4.790 0.000 -6.191) 7.828 21.285 ( -5.621 -0.000 7.267) 9.188 21.463 ( 0.190 0.000 -7.963) 7.965 23.225 ( 2.950 0.000 -7.783) 8.324 23.376 ( -8.688 -0.000 7.953) 11.778 26.745 ( 0.976 0.000 -0.201) 0.996 26.781 ( -0.429 -0.000 0.421) 0.601 29.441 ( 2.761 0.000 2.176) 3.515 29.637 ( -9.288 -0.000 2.964) 9.750 29.924 ( -3.672 -0.000 3.069) 4.786 30.499 ( 14.494 0.000 -12.101) 18.881 30.849 ( 0.836 0.000 -0.791) 1.151 30.879 ( -0.136 -0.000 0.385) 0.409 31.490 ( 15.854 0.000 -11.698) 19.702 31.676 ( -6.475 -0.000 5.574) 8.544 32.281 ( 1.344 0.000 4.762) 4.948 32.315 ( -0.634 -0.000 -2.863) 2.932 32.485 ( -5.268 -0.000 -4.624) 7.009 32.873 ( -3.049 -0.000 4.150) 5.150 33.694 ( -5.154 -0.000 5.715) 7.696 33.876 ( 3.460 0.000 -6.296) 7.184 35.560 ( 2.453 0.000 4.720) 5.320 35.886 ( 0.777 0.000 -3.300) 3.391 35.889 ( 2.749 0.000 12.076) 12.385 36.442 ( -5.631 -0.000 8.109) 9.872 36.592 ( 2.725 0.000 -9.096) 9.495 36.702 ( 0.984 0.000 -3.206) 3.354 38.002 ( 7.772 0.000 -15.773) 17.584 38.076 ( -9.797 -0.000 14.585) 17.570 ======================= Grid point 165 (80/93) ======================= q-point: (-0.50 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( -1.758 0.123 0.724) 1.905 1.098 ( 1.277 0.689 -0.476) 1.527 1.667 ( 6.380 2.188 -6.941) 9.678 1.961 ( -7.776 10.753 -8.574) 15.799 2.213 ( 0.188 6.414 7.605) 9.951 2.521 ( 1.174 1.728 4.915) 5.341 2.662 ( 4.942 -9.806 -6.026) 12.526 2.748 ( -4.451 -1.208 0.903) 4.700 3.028 ( 5.652 2.974 1.251) 6.508 3.099 ( -4.266 4.592 4.153) 7.519 3.209 ( 4.281 9.900 -0.079) 10.786 3.345 ( -3.633 1.113 0.802) 3.884 3.398 ( 5.523 2.905 7.208) 9.534 3.571 ( -2.996 -8.112 5.569) 10.286 3.657 ( -1.468 -3.794 2.695) 4.880 3.902 ( 1.385 -8.628 -4.750) 9.946 3.970 ( 4.557 0.362 -8.178) 9.369 4.075 ( 2.927 4.137 3.188) 5.987 4.250 ( 3.102 -3.769 2.556) 5.510 4.403 ( 5.853 3.085 0.483) 6.634 4.419 ( 4.330 2.018 2.342) 5.320 4.680 ( -3.190 -1.273 -2.582) 4.297 4.735 ( -7.257 -1.966 -5.810) 9.502 4.860 ( -0.844 -5.420 4.410) 7.038 4.942 ( -5.780 3.135 -0.608) 6.603 5.023 ( -10.273 -3.589 0.564) 10.897 5.146 ( 4.299 -1.142 2.947) 5.336 5.285 ( 0.139 -0.015 -0.756) 0.768 5.509 ( 4.548 2.111 0.489) 5.038 5.554 ( 0.682 -3.127 4.545) 5.558 5.822 ( 4.752 7.852 -2.513) 9.515 5.923 ( -0.665 0.669 -2.817) 2.971 6.193 ( 5.202 -1.068 -2.661) 5.940 6.270 ( -3.582 -6.938 0.842) 7.854 6.733 ( 5.157 0.524 7.271) 8.930 7.099 ( 1.436 0.215 -4.888) 5.099 7.155 ( -4.508 2.120 -5.064) 7.104 7.226 ( -7.129 -4.554 -2.605) 8.851 7.459 ( 6.594 1.229 3.421) 7.530 7.553 ( 5.010 0.479 0.342) 5.044 8.749 ( 1.669 1.608 -2.497) 3.407 8.909 ( -5.494 1.917 -2.018) 6.159 9.044 ( 6.494 -1.687 -3.680) 7.652 9.258 ( -4.575 -2.453 1.833) 5.505 9.331 ( -4.684 -0.238 3.168) 5.660 9.406 ( -6.742 -3.036 -2.405) 7.775 9.476 ( -6.355 0.475 5.209) 8.231 9.625 ( -0.890 -2.869 -2.377) 3.831 10.434 ( 2.472 7.790 4.777) 9.466 10.499 ( 7.169 6.838 -1.006) 9.958 10.590 ( -1.987 -3.732 4.019) 5.833 10.665 ( 8.560 -6.129 -3.635) 11.138 11.141 ( -10.249 -0.345 1.781) 10.408 11.158 ( -6.281 0.064 -3.016) 6.968 11.483 ( -2.800 -1.035 -1.243) 3.234 11.630 ( -8.101 -0.072 -2.189) 8.392 12.936 ( 10.923 -2.041 -0.274) 11.116 13.055 ( 6.040 -2.168 0.206) 6.420 13.376 ( 5.677 1.706 0.993) 6.010 13.494 ( 5.585 -0.972 -1.333) 5.824 13.582 ( -1.967 3.496 0.227) 4.017 13.675 ( -2.680 -4.196 -0.045) 4.979 13.976 ( 0.760 3.136 -0.961) 3.367 14.042 ( 2.145 -0.089 0.822) 2.299 14.422 ( -4.251 2.587 -0.010) 4.977 14.620 ( -4.206 2.699 0.597) 5.033 14.972 ( 1.784 1.497 2.345) 3.305 15.157 ( 2.307 0.473 -1.815) 2.974 15.584 ( 1.242 0.746 -1.218) 1.893 15.618 ( -3.269 -1.286 0.906) 3.628 15.865 ( 3.390 7.054 1.511) 7.971 15.940 ( 3.500 0.252 -1.110) 3.681 16.585 ( -1.295 1.212 0.163) 1.781 16.654 ( -2.502 -0.352 -1.185) 2.791 16.755 ( 0.897 -0.209 0.690) 1.151 16.786 ( -0.301 0.903 1.106) 1.459 19.210 ( 3.966 -1.309 -4.051) 5.818 19.263 ( -3.395 -3.165 1.838) 4.992 20.355 ( 0.910 2.754 6.067) 6.724 20.571 ( 3.355 2.032 -7.647) 8.595 21.252 ( -4.725 -1.261 7.514) 8.966 21.428 ( 1.429 -0.966 -8.452) 8.626 23.249 ( 3.882 -1.334 -5.783) 7.092 23.277 ( -9.209 -1.766 6.305) 11.299 26.755 ( 1.193 0.858 -0.071) 1.471 26.780 ( -0.705 -0.624 0.273) 0.980 29.428 ( 1.350 5.212 1.001) 5.476 29.542 ( -8.172 -3.525 1.640) 9.050 29.950 ( 1.632 2.291 10.456) 10.827 30.586 ( 6.861 0.773 -20.271) 21.415 30.856 ( 0.777 0.711 -0.447) 1.144 30.872 ( -0.523 0.562 0.373) 0.853 31.564 ( -6.020 5.309 4.077) 9.003 31.615 ( 9.894 3.444 -11.759) 15.749 32.292 ( 0.634 0.806 -2.433) 2.641 32.314 ( -2.730 0.507 0.906) 2.920 32.432 ( 1.959 -0.983 3.664) 4.270 32.783 ( -7.305 0.781 -2.105) 7.642 33.679 ( -1.962 -0.162 7.318) 7.578 33.887 ( 2.119 -1.153 -6.713) 7.134 35.630 ( 1.866 0.129 6.184) 6.461 35.869 ( 0.441 0.310 -5.008) 5.037 36.047 ( 6.084 0.912 16.002) 17.144 36.402 ( -5.029 0.124 7.262) 8.834 36.586 ( 2.763 -0.823 -8.363) 8.846 36.658 ( -1.693 2.309 -5.276) 6.003 37.966 ( -4.534 2.503 9.896) 11.170 38.142 ( 4.468 -12.194 -8.833) 15.706 ======================= Grid point 166 (81/93) ======================= q-point: (-0.38 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( -0.873 -0.354 1.642) 1.893 1.105 ( 1.796 0.858 -0.724) 2.118 1.628 ( -3.792 12.705 1.349) 13.327 1.797 ( 7.703 3.702 -13.822) 16.251 2.159 ( -1.884 18.085 13.486) 22.638 2.427 ( -0.969 9.462 -9.923) 13.745 2.673 ( 1.295 -2.824 3.769) 4.884 2.790 ( -0.417 -7.262 -6.426) 9.706 3.062 ( -0.127 3.441 10.850) 11.383 3.122 ( 0.629 -2.461 1.519) 2.960 3.195 ( -9.531 0.119 2.085) 9.757 3.257 ( 9.047 5.074 -2.219) 10.608 3.501 ( -3.509 4.083 5.118) 7.428 3.533 ( 6.445 10.744 2.040) 12.694 3.705 ( -1.100 -5.592 2.630) 6.276 3.905 ( 0.539 0.094 -12.281) 12.294 4.028 ( -3.549 -6.098 6.656) 9.700 4.084 ( -0.982 -3.244 0.804) 3.483 4.305 ( 1.341 0.746 1.792) 2.359 4.381 ( -3.868 1.578 -2.345) 4.791 4.536 ( -0.896 -1.780 5.191) 5.560 4.646 ( 3.896 -0.922 -6.419) 7.565 4.728 ( -5.246 -5.743 5.245) 9.381 4.788 ( -0.518 -5.089 0.781) 5.175 4.945 ( -1.316 -7.147 1.899) 7.511 5.008 ( 1.018 -4.588 -3.031) 5.592 5.219 ( 0.791 -1.080 3.476) 3.725 5.286 ( 1.629 0.511 -2.396) 2.942 5.544 ( -0.020 3.769 1.400) 4.021 5.581 ( 2.840 0.097 -1.471) 3.200 5.810 ( 2.067 4.282 -0.400) 4.772 5.818 ( -4.679 4.121 -0.822) 6.289 6.266 ( -6.418 -6.918 1.503) 9.556 6.339 ( 7.861 -6.321 -4.339) 10.981 6.850 ( 4.527 1.016 7.135) 8.511 6.985 ( -5.066 4.098 -5.709) 8.663 7.116 ( -4.262 -3.512 0.683) 5.565 7.218 ( 6.044 -5.159 -7.308) 10.796 7.550 ( 2.348 1.230 2.825) 3.873 7.587 ( -1.168 0.640 -0.657) 1.485 8.783 ( -2.137 0.517 -0.857) 2.360 8.787 ( 1.807 1.152 -1.410) 2.565 9.135 ( -7.803 1.750 1.054) 8.066 9.163 ( 6.889 2.108 -1.279) 7.317 9.303 ( 0.984 -4.437 2.838) 5.358 9.363 ( -2.153 -5.429 -2.690) 6.430 9.528 ( 0.480 -4.331 5.424) 6.958 9.638 ( 2.104 -3.130 -4.880) 6.167 10.370 ( -3.762 7.566 5.501) 10.083 10.465 ( 2.540 8.749 -3.486) 9.755 10.652 ( -1.843 -2.622 7.265) 7.940 10.794 ( 2.968 -3.521 -6.090) 7.635 11.055 ( -2.522 -2.312 2.177) 4.055 11.101 ( 1.640 -0.794 -2.253) 2.897 11.491 ( 3.198 -0.505 -0.020) 3.238 11.521 ( -2.994 -0.766 -2.892) 4.232 13.086 ( 3.497 -3.395 0.856) 4.949 13.103 ( -3.614 -3.721 -0.800) 5.248 13.427 ( 1.850 4.013 1.307) 4.608 13.456 ( -1.946 4.351 -1.417) 4.972 13.647 ( -4.736 -4.347 0.414) 6.442 13.658 ( 4.634 -4.281 -0.498) 6.328 13.998 ( -0.175 3.309 0.119) 3.316 14.000 ( -0.184 3.440 0.004) 3.445 14.401 ( 7.247 5.705 2.264) 9.497 14.448 ( -7.308 4.990 -2.318) 9.148 15.045 ( 3.222 1.696 4.478) 5.771 15.128 ( -3.360 0.354 -3.343) 4.753 15.570 ( -1.394 -0.054 1.823) 2.296 15.610 ( 1.392 1.007 -1.843) 2.519 15.824 ( -1.447 8.071 3.827) 9.049 15.917 ( 1.662 8.273 -5.075) 9.847 16.587 ( 2.315 0.122 0.774) 2.444 16.609 ( -1.810 0.112 -1.440) 2.316 16.767 ( -0.349 1.496 0.647) 1.667 16.775 ( 1.114 1.244 0.013) 1.670 19.243 ( -4.634 -4.997 1.855) 7.063 19.298 ( 4.750 -4.376 -3.491) 7.341 20.357 ( -1.172 4.782 6.725) 8.335 20.519 ( 1.560 5.102 -8.689) 10.196 21.256 ( -3.303 -2.533 7.954) 8.977 21.426 ( 2.802 -2.165 -8.258) 8.985 23.186 ( -8.502 -2.592 7.629) 11.713 23.330 ( 7.022 -2.569 -6.147) 9.680 26.766 ( -0.863 0.165 0.289) 0.925 26.771 ( 0.919 0.207 -0.191) 0.961 29.441 ( -1.613 0.611 2.021) 2.657 29.473 ( 1.618 0.692 -0.613) 1.864 30.004 ( 1.420 8.387 15.310) 17.514 30.420 ( -2.961 8.202 -24.166) 25.691 30.852 ( -0.663 1.503 0.415) 1.694 30.861 ( 0.740 0.953 -0.420) 1.277 31.434 ( -6.856 6.013 6.628) 11.273 31.612 ( 5.652 7.762 -10.778) 14.434 32.253 ( -3.128 0.875 1.755) 3.692 32.288 ( 1.711 1.296 -1.617) 2.687 32.550 ( 6.001 0.606 4.589) 7.579 32.653 ( -3.433 -0.252 -5.655) 6.620 33.711 ( -1.008 -0.487 8.280) 8.356 33.882 ( 1.199 -1.671 -7.742) 8.010 35.691 ( 1.178 0.376 6.556) 6.671 35.830 ( -0.229 0.793 -6.420) 6.473 36.232 ( 6.856 2.276 12.740) 14.646 36.367 ( -4.062 0.797 4.581) 6.174 36.532 ( -3.609 3.224 -5.641) 7.432 36.606 ( 3.039 -0.973 -7.380) 8.041 37.978 ( -9.246 -9.581 18.084) 22.457 38.305 ( 7.323 -14.044 -13.050) 20.522 ======================= Grid point 167 (82/93) ======================= q-point: (-0.25 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( -2.335 2.019 -0.455) 3.120 1.118 ( 0.808 2.095 0.910) 2.422 1.498 ( 1.673 7.241 6.928) 10.160 1.739 ( 1.885 7.725 -14.742) 16.750 2.063 ( 6.157 15.528 6.379) 17.881 2.320 ( 10.958 15.415 -6.445) 19.981 2.717 ( -3.808 -0.893 1.047) 4.049 2.845 ( 0.031 -5.117 5.402) 7.441 2.925 ( -8.984 7.163 -2.707) 11.805 3.140 ( 0.583 -5.157 2.577) 5.795 3.163 ( -0.919 -0.745 -1.397) 1.831 3.289 ( -1.370 3.597 1.665) 4.193 3.480 ( 4.989 4.688 -2.500) 7.288 3.570 ( 7.778 7.452 6.284) 12.471 3.741 ( 4.191 -1.296 -3.505) 5.615 3.843 ( 3.585 3.478 -9.242) 10.506 4.054 ( -8.504 -7.597 4.898) 12.411 4.082 ( -8.671 -6.674 8.044) 13.581 4.270 ( -9.315 -2.933 -0.487) 9.778 4.362 ( 0.217 -3.255 2.119) 3.890 4.473 ( -1.177 -0.362 5.113) 5.259 4.623 ( -4.215 -3.963 -4.794) 7.513 4.825 ( -0.216 -5.848 5.622) 8.116 4.903 ( 1.762 -2.069 -0.832) 2.842 4.978 ( 1.541 -0.696 2.491) 3.011 5.071 ( 0.690 -5.620 -1.509) 5.860 5.230 ( -3.365 -0.871 1.148) 3.661 5.306 ( 4.409 0.958 -3.966) 6.007 5.467 ( -3.425 4.181 -0.243) 5.410 5.605 ( 1.971 4.630 -4.823) 6.970 5.727 ( -3.501 -4.126 1.627) 5.651 5.803 ( -0.036 2.979 1.849) 3.506 6.232 ( -6.484 -6.248 1.693) 9.162 6.464 ( 2.071 -5.423 -3.997) 7.049 6.822 ( -5.633 3.694 -5.505) 8.700 6.944 ( 4.234 1.455 5.638) 7.199 7.120 ( -2.524 -4.365 2.446) 5.604 7.373 ( 9.258 -5.105 -5.680) 12.002 7.489 ( -5.771 1.388 -0.171) 5.938 7.536 ( -3.995 -0.121 -0.330) 4.011 8.711 ( -1.706 -1.235 -0.627) 2.198 8.889 ( 7.386 -0.745 -0.737) 7.460 9.019 ( -4.126 -1.866 1.908) 4.914 9.329 ( 8.422 -1.072 -0.394) 8.499 9.353 ( 4.659 -0.185 0.764) 4.725 9.418 ( 1.245 -0.312 -1.050) 1.658 9.579 ( 1.969 -5.102 1.092) 5.577 9.729 ( 4.434 -6.905 -2.693) 8.637 10.239 ( -5.779 7.965 3.572) 10.469 10.394 ( -0.472 6.164 -1.211) 6.299 10.638 ( -6.846 -1.295 5.276) 8.740 10.743 ( -4.029 2.362 -5.950) 7.564 11.133 ( 6.802 -2.267 1.450) 7.315 11.191 ( 7.119 -2.563 -0.597) 7.590 11.528 ( 4.264 -2.202 -1.791) 5.122 11.592 ( 7.830 0.322 0.715) 7.869 13.024 ( -10.502 -5.712 -0.895) 11.988 13.118 ( -5.072 -4.582 0.958) 6.902 13.350 ( -1.742 1.812 -0.263) 2.527 13.433 ( 0.491 4.268 0.613) 4.340 13.579 ( -7.052 -3.194 0.391) 7.751 13.750 ( -0.016 -0.726 -0.221) 0.759 13.877 ( 0.295 4.134 0.041) 4.144 14.035 ( -0.341 1.564 -0.172) 1.610 14.345 ( 4.641 6.444 -1.575) 8.096 14.494 ( 7.127 7.337 2.054) 10.433 14.951 ( -10.185 6.262 -1.241) 12.020 15.100 ( 0.631 1.070 1.452) 1.911 15.568 ( -0.167 0.452 0.868) 0.993 15.602 ( 1.345 6.073 0.943) 6.291 15.710 ( -1.873 5.656 -2.211) 6.355 15.829 ( 2.097 9.297 -0.122) 9.531 16.574 ( -0.119 1.524 -1.400) 2.073 16.647 ( 3.288 -0.378 0.177) 3.314 16.758 ( 0.371 0.099 0.493) 0.625 16.786 ( 2.894 1.674 -1.569) 3.693 19.226 ( -5.249 -5.797 1.332) 7.932 19.399 ( 2.793 -5.762 -2.048) 6.723 20.284 ( -4.413 7.211 4.008) 9.356 20.453 ( 2.858 4.784 -5.114) 7.564 21.291 ( -2.344 -3.024 8.219) 9.066 21.457 ( 3.715 -2.948 -7.186) 8.610 23.162 ( -4.421 -4.091 7.306) 9.468 23.439 ( 7.286 -1.793 -4.664) 8.835 26.738 ( -1.735 0.550 0.068) 1.821 26.792 ( 1.301 -0.108 -0.134) 1.313 29.312 ( -8.177 7.076 0.235) 10.816 29.596 ( 9.025 -0.555 0.231) 9.044 30.053 ( 4.811 9.771 18.466) 21.438 30.155 ( 2.603 8.685 -19.041) 21.090 30.812 ( -2.031 2.701 0.409) 3.404 30.859 ( 0.534 1.351 -0.464) 1.525 31.289 ( -8.924 5.965 5.330) 11.985 31.523 ( 1.692 10.532 -5.367) 11.941 32.232 ( -0.375 0.033 1.868) 1.906 32.300 ( 2.292 1.775 -0.416) 2.928 32.548 ( -1.700 -0.545 -3.090) 3.569 32.712 ( 9.646 2.877 -1.669) 10.203 33.748 ( -2.020 -0.880 8.609) 8.886 33.870 ( 1.442 -1.827 -8.202) 8.526 35.744 ( 0.975 0.459 5.652) 5.753 35.767 ( -1.115 0.992 -6.830) 6.991 36.261 ( -4.083 5.230 -8.615) 10.874 36.357 ( 3.395 2.159 7.723) 8.708 36.459 ( -1.950 0.345 5.174) 5.540 36.624 ( 3.458 -0.604 -7.138) 7.954 38.063 ( -13.038 -18.333 17.887) 28.740 38.472 ( 4.479 -14.167 -12.002) 19.100 ======================= Grid point 168 (83/93) ======================= q-point: (-0.12 0.38 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( -2.077 6.811 -3.196) 7.805 1.076 ( -2.636 3.123 0.677) 4.142 1.521 ( 0.181 0.639 -6.029) 6.065 1.702 ( 9.500 5.822 1.803) 11.287 2.094 ( 16.031 11.517 -8.024) 21.308 2.408 ( 13.690 7.798 6.804) 17.161 2.525 ( -7.884 13.184 -9.942) 18.298 2.741 ( -2.113 -0.243 5.477) 5.876 3.051 ( 1.083 -8.473 9.499) 12.775 3.132 ( -7.401 -4.943 -1.515) 9.028 3.155 ( 2.733 -2.770 -5.754) 6.946 3.256 ( 4.127 8.575 3.926) 10.295 3.530 ( 4.191 -4.628 -3.177) 7.006 3.634 ( 3.445 7.090 0.031) 7.882 3.813 ( 4.815 -2.018 -8.472) 9.951 3.838 ( 3.176 3.435 -0.574) 4.713 3.970 ( -6.938 -2.940 2.233) 7.859 4.034 ( -7.603 -4.009 3.118) 9.143 4.200 ( -9.916 -9.195 7.238) 15.338 4.431 ( 0.639 -4.894 2.919) 5.734 4.474 ( -4.363 -2.175 -1.238) 5.030 4.653 ( 4.168 -0.356 6.918) 8.084 4.852 ( -1.515 0.272 3.123) 3.481 4.894 ( -1.452 -1.387 -2.206) 2.983 5.001 ( -1.957 1.639 5.284) 5.868 5.094 ( -1.642 -0.747 -0.655) 1.919 5.137 ( -8.019 0.140 -1.110) 8.097 5.307 ( -2.696 1.515 -5.074) 5.942 5.388 ( 2.678 3.421 -4.563) 6.300 5.515 ( -1.861 4.041 -2.975) 5.352 5.751 ( -3.623 -5.330 0.137) 6.446 5.789 ( 0.543 2.719 3.938) 4.816 6.226 ( -3.720 -7.298 0.715) 8.223 6.439 ( -6.117 -1.755 -3.258) 7.149 6.685 ( -3.893 2.285 -3.226) 5.549 7.020 ( -10.808 2.272 4.979) 12.115 7.041 ( 2.868 2.193 2.496) 4.390 7.381 ( 0.269 -1.395 -5.793) 5.965 7.487 ( -1.214 -5.046 1.069) 5.299 7.629 ( 10.393 -5.871 -1.706) 12.058 8.730 ( 1.326 -2.055 -1.339) 2.788 9.000 ( -1.327 -0.340 2.611) 2.948 9.040 ( 5.109 -5.931 0.252) 7.832 9.338 ( -3.121 1.525 -3.920) 5.237 9.442 ( 5.795 -1.628 1.034) 6.107 9.522 ( 12.403 -0.716 -1.252) 12.487 9.694 ( 2.915 -1.008 1.721) 3.532 9.873 ( 6.259 -7.896 -2.130) 10.298 10.091 ( -4.748 6.908 2.153) 8.654 10.298 ( -5.360 2.099 -1.184) 5.877 10.502 ( -12.923 3.516 2.588) 13.640 10.622 ( -0.409 5.177 -2.862) 5.929 11.304 ( 9.650 -2.043 1.329) 9.953 11.337 ( 7.718 -2.303 -0.154) 8.055 11.638 ( 5.255 -2.592 0.066) 5.860 11.720 ( 8.010 1.050 0.856) 8.124 12.890 ( -14.581 -7.364 -0.078) 16.335 13.086 ( -3.299 -5.412 0.227) 6.342 13.389 ( 3.222 0.971 1.475) 3.674 13.403 ( 2.564 -3.288 -0.817) 4.249 13.503 ( -5.817 -2.009 0.317) 6.163 13.703 ( 0.429 5.417 -0.249) 5.440 13.878 ( -0.558 0.114 -1.397) 1.508 14.009 ( 1.172 1.840 0.876) 2.351 14.347 ( -1.261 8.127 -1.072) 8.294 14.458 ( -1.501 7.905 1.517) 8.188 14.669 ( -10.184 7.981 -1.509) 13.026 15.114 ( 3.819 4.246 0.278) 5.717 15.540 ( 0.406 6.105 1.242) 6.244 15.572 ( 3.798 6.315 0.058) 7.369 15.689 ( 2.265 -0.864 0.098) 2.426 15.801 ( 0.752 2.267 0.723) 2.495 16.565 ( 2.261 1.989 -0.844) 3.127 16.687 ( 2.232 1.222 0.161) 2.549 16.775 ( 0.254 -1.351 0.628) 1.511 16.825 ( 4.634 0.404 -2.901) 5.482 19.216 ( -3.794 -5.096 1.495) 6.527 19.456 ( -1.211 -4.384 -1.450) 4.774 20.165 ( -3.183 5.927 2.042) 7.031 20.442 ( 3.083 3.468 -1.614) 4.913 21.335 ( -2.313 -2.549 8.185) 8.879 21.508 ( 3.678 -2.993 -5.977) 7.629 23.210 ( -1.211 -4.896 6.715) 8.399 23.515 ( 4.338 1.105 -3.650) 5.776 26.708 ( -1.398 0.127 -0.086) 1.406 26.809 ( 0.925 0.213 -0.113) 0.956 29.096 ( -6.459 8.160 0.285) 10.411 29.663 ( 3.603 7.479 -0.967) 8.358 30.183 ( 16.034 -3.763 -9.011) 18.774 30.261 ( 11.801 3.005 19.509) 22.998 30.722 ( -4.573 6.199 0.087) 7.704 30.843 ( -0.167 1.792 -0.380) 1.839 31.110 ( -8.440 4.068 2.193) 9.623 31.407 ( 0.068 10.849 0.058) 10.849 32.254 ( 1.116 -0.248 1.885) 2.205 32.313 ( 1.692 2.013 0.302) 2.647 32.537 ( 1.440 -1.654 -3.311) 3.971 32.793 ( 7.792 5.723 -4.514) 10.670 33.775 ( -2.255 -1.291 8.336) 8.731 33.863 ( 1.741 -1.128 -7.190) 7.483 35.677 ( -2.931 0.856 -6.916) 7.560 35.798 ( 1.609 0.207 4.614) 4.891 36.076 ( -3.244 5.045 -12.108) 13.512 36.409 ( -1.670 -0.619 8.939) 9.115 36.485 ( 2.120 1.669 3.074) 4.090 36.640 ( 3.810 0.276 -6.795) 7.795 38.119 ( -15.904 -18.759 12.736) 27.695 38.555 ( -1.400 -9.852 -10.048) 14.142 ======================= Grid point 173 (84/93) ======================= q-point: (-0.50 0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( 0.819 -0.000 0.225) 0.849 1.107 ( 0.943 -0.000 -2.586) 2.753 1.789 ( 10.074 -0.000 -5.359) 11.410 1.822 ( -7.877 0.000 -8.606) 11.667 2.365 ( 5.089 -0.000 10.086) 11.297 2.531 ( -10.963 -0.000 -4.563) 11.875 2.610 ( 4.008 -0.000 5.109) 6.494 2.692 ( 1.632 -0.000 -3.083) 3.488 3.091 ( -0.384 -0.000 3.513) 3.534 3.116 ( -0.899 -0.000 1.432) 1.691 3.221 ( -10.973 -0.000 5.779) 12.401 3.339 ( 10.483 -0.000 -7.206) 12.721 3.526 ( 1.398 -0.000 9.719) 9.819 3.597 ( -2.080 -0.000 1.872) 2.798 3.687 ( 10.063 -0.000 1.636) 10.195 3.772 ( -8.471 0.000 -4.261) 9.482 4.036 ( 5.359 -0.000 0.779) 5.415 4.069 ( -7.188 -0.000 -2.293) 7.544 4.338 ( 7.061 -0.000 4.155) 8.193 4.408 ( -7.512 -0.000 -2.257) 7.844 4.548 ( 1.551 -0.000 1.592) 2.223 4.593 ( -4.720 -0.000 -1.139) 4.855 4.692 ( 14.985 -0.000 1.215) 15.034 4.714 ( -18.444 -0.000 -0.469) 18.450 4.859 ( 0.137 -0.000 4.982) 4.984 4.946 ( 0.397 -0.000 -4.272) 4.291 5.208 ( 1.220 -0.000 4.043) 4.223 5.293 ( 1.974 -0.000 -3.263) 3.814 5.559 ( -1.139 -0.000 2.153) 2.435 5.589 ( 4.400 -0.000 -0.953) 4.502 5.885 ( -1.819 -0.000 0.715) 1.954 5.895 ( -2.802 0.000 -1.426) 3.144 6.166 ( -3.166 -0.000 2.601) 4.097 6.262 ( 6.446 -0.000 -5.952) 8.774 6.853 ( 2.981 -0.000 9.407) 9.868 7.049 ( -3.888 -0.000 -9.524) 10.287 7.067 ( -5.983 0.000 1.675) 6.213 7.166 ( 8.405 -0.000 -7.151) 11.035 7.564 ( 2.136 -0.000 2.316) 3.151 7.591 ( -1.135 -0.000 -0.197) 1.152 8.797 ( 4.565 -0.000 -0.756) 4.627 8.808 ( -5.776 -0.000 -1.843) 6.063 9.180 ( -12.404 -0.000 -0.389) 12.410 9.190 ( 11.836 0.000 -1.126) 11.889 9.228 ( 1.987 -0.000 2.888) 3.505 9.280 ( -3.086 -0.000 -2.126) 3.748 9.486 ( 0.720 -0.000 6.687) 6.725 9.609 ( 1.916 -0.000 -5.159) 5.503 10.497 ( -5.541 -0.000 6.049) 8.204 10.572 ( -0.772 0.000 6.131) 6.179 10.613 ( 3.705 -0.000 -3.938) 5.407 10.697 ( 2.220 0.000 -4.785) 5.275 11.034 ( -2.646 -0.000 2.825) 3.871 11.101 ( 2.290 -0.000 -3.585) 4.254 11.486 ( 4.155 -0.000 -0.122) 4.157 11.512 ( -3.916 -0.000 -2.584) 4.692 13.050 ( 3.629 -0.000 0.741) 3.704 13.063 ( -3.739 -0.000 -0.570) 3.782 13.487 ( 2.445 -0.000 1.943) 3.123 13.533 ( -3.089 0.000 -2.380) 3.899 13.571 ( -1.245 -0.000 1.100) 1.662 13.594 ( 1.704 0.000 -1.000) 1.976 14.031 ( -4.645 -0.000 0.201) 4.650 14.034 ( 4.351 -0.000 -0.026) 4.351 14.463 ( 7.773 -0.000 1.852) 7.990 14.502 ( -7.932 -0.000 -1.918) 8.161 15.058 ( 3.812 -0.000 3.954) 5.492 15.131 ( -4.100 -0.000 -2.809) 4.970 15.566 ( -2.535 -0.000 2.071) 3.274 15.616 ( 2.914 -0.000 -2.688) 3.965 15.913 ( -3.625 -0.000 4.500) 5.778 16.000 ( 3.908 -0.000 -3.803) 5.453 16.591 ( 1.303 -0.000 0.460) 1.382 16.610 ( -1.277 -0.000 -1.378) 1.879 16.783 ( 1.449 -0.000 0.759) 1.636 16.789 ( -0.722 -0.000 0.071) 0.725 19.190 ( -4.669 -0.000 2.105) 5.121 19.252 ( 4.856 -0.000 -3.870) 6.209 20.409 ( -0.972 -0.000 6.988) 7.055 20.573 ( 1.433 -0.000 -8.531) 8.651 21.229 ( -3.212 -0.000 8.001) 8.621 21.403 ( 2.793 -0.000 -8.533) 8.978 23.157 ( -8.821 -0.000 7.642) 11.671 23.302 ( 7.488 -0.000 -6.128) 9.676 26.768 ( -0.698 -0.000 0.318) 0.767 26.774 ( 0.738 -0.000 -0.199) 0.764 29.447 ( -2.816 -0.000 1.983) 3.444 29.478 ( 2.833 -0.000 -0.668) 2.911 30.087 ( 1.789 -0.000 16.043) 16.143 30.497 ( -2.531 -0.000 -22.456) 22.599 30.868 ( -0.550 -0.000 0.081) 0.556 30.871 ( 0.732 -0.000 -0.136) 0.744 31.502 ( -8.252 -0.000 7.252) 10.986 31.696 ( 6.558 -0.000 -11.496) 13.235 32.265 ( -3.554 -0.000 1.736) 3.955 32.302 ( 1.680 -0.000 -1.751) 2.427 32.558 ( 9.599 -0.000 4.059) 10.422 32.642 ( -6.994 -0.000 -4.318) 8.220 33.707 ( -0.793 -0.000 7.592) 7.633 33.864 ( 1.221 -0.000 -7.210) 7.313 35.695 ( 1.160 -0.000 6.712) 6.812 35.838 ( -0.022 -0.000 -6.762) 6.762 36.259 ( 6.630 -0.000 15.352) 16.723 36.370 ( -4.234 -0.000 6.207) 7.513 36.581 ( -3.962 -0.000 -8.089) 9.007 36.584 ( 3.460 0.000 -7.080) 7.881 37.893 ( -12.500 -0.000 12.693) 17.815 38.150 ( 10.493 -0.000 -11.328) 15.441 ======================= Grid point 175 (85/93) ======================= q-point: (-0.38 0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.089 ( 0.880 1.267 -0.361) 1.585 1.125 ( 2.251 -0.702 -2.014) 3.101 1.649 ( -2.342 5.464 -5.233) 7.920 1.884 ( 5.991 4.627 -2.118) 7.861 2.314 ( -3.727 7.676 0.320) 8.539 2.475 ( 1.346 -0.809 5.741) 5.952 2.671 ( -0.929 0.481 -6.351) 6.437 2.761 ( 6.344 -2.798 2.167) 7.264 3.031 ( -8.274 -2.955 5.579) 10.407 3.054 ( -5.739 4.033 -1.363) 7.145 3.182 ( 2.893 1.741 2.403) 4.144 3.407 ( -3.551 9.068 -1.060) 9.796 3.537 ( 6.113 2.515 -2.350) 7.015 3.639 ( -1.466 -7.707 5.039) 9.325 3.701 ( -1.494 -9.541 -2.690) 10.025 3.771 ( 1.749 4.336 1.452) 4.896 3.889 ( -11.506 -7.004 -3.895) 14.022 4.091 ( 0.770 5.618 4.729) 7.384 4.273 ( -6.167 -1.686 -0.005) 6.393 4.397 ( -8.453 6.719 2.089) 10.998 4.470 ( 1.025 0.398 -0.439) 1.184 4.565 ( 1.787 -0.947 -0.693) 2.138 4.666 ( 2.561 -7.833 4.203) 9.251 4.879 ( 0.819 0.774 3.624) 3.795 4.911 ( -0.894 -4.577 2.205) 5.158 4.991 ( 8.150 -2.956 -0.428) 8.680 5.234 ( -0.545 0.738 2.360) 2.532 5.311 ( 5.227 -0.469 -6.508) 8.360 5.526 ( -3.321 1.387 -0.861) 3.701 5.629 ( 0.937 -1.118 -2.270) 2.698 5.772 ( -5.936 6.461 1.532) 8.906 5.865 ( -1.294 0.391 1.857) 2.297 6.139 ( -3.952 -1.743 1.319) 4.516 6.350 ( 4.721 -4.575 -5.114) 8.329 6.899 ( -4.719 3.070 -7.353) 9.261 6.953 ( 1.002 -0.847 9.717) 9.805 7.051 ( 1.499 -1.752 -0.101) 2.308 7.296 ( 10.899 -1.932 -6.102) 12.639 7.519 ( -5.538 0.937 -1.795) 5.897 7.544 ( -5.302 0.425 1.085) 5.429 8.723 ( -2.275 1.486 -0.275) 2.731 8.887 ( 6.441 -0.326 0.116) 6.450 8.997 ( -8.592 -0.004 0.540) 8.609 9.280 ( 3.103 -1.192 0.453) 3.355 9.351 ( 6.610 -4.667 2.050) 8.347 9.378 ( 10.960 0.832 -1.846) 11.145 9.537 ( 1.776 0.625 2.024) 2.764 9.620 ( 2.451 -3.560 -3.659) 5.663 10.403 ( -5.141 7.569 4.822) 10.342 10.539 ( -4.209 6.292 -1.449) 7.708 10.569 ( -6.620 -3.587 3.151) 8.162 10.703 ( -1.426 -5.745 -4.533) 7.456 11.103 ( 7.529 -0.671 1.993) 7.817 11.182 ( 9.398 0.788 -2.101) 9.662 11.493 ( 3.021 -1.073 -2.295) 3.942 11.596 ( 8.463 0.053 0.933) 8.514 12.941 ( -11.442 -2.199 -0.770) 11.677 13.047 ( -5.776 -1.981 0.906) 6.174 13.399 ( -5.416 2.716 -0.888) 6.123 13.465 ( -5.914 -1.924 1.036) 6.305 13.578 ( 1.720 3.848 0.559) 4.252 13.681 ( 3.224 -4.667 -0.530) 5.697 13.959 ( -1.347 2.555 0.560) 2.942 14.055 ( -1.866 0.416 -0.416) 1.956 14.434 ( 2.403 2.297 -1.167) 3.523 14.608 ( 7.149 3.265 1.682) 8.038 15.027 ( -4.413 1.674 -2.496) 5.339 15.100 ( -1.326 -0.164 3.221) 3.487 15.549 ( -1.722 -0.840 1.506) 2.437 15.654 ( 3.863 0.501 -2.016) 4.386 15.837 ( -5.619 4.308 2.749) 7.596 15.977 ( -0.999 3.952 -2.966) 5.042 16.598 ( 0.991 0.701 -1.091) 1.632 16.635 ( 3.200 -0.464 0.582) 3.285 16.765 ( -1.530 0.354 -0.145) 1.577 16.806 ( 1.729 0.356 -0.590) 1.861 19.144 ( -3.810 -2.084 1.890) 4.737 19.314 ( 3.724 -2.332 -2.848) 5.236 20.404 ( -3.015 3.778 6.142) 7.816 20.516 ( -0.360 1.322 -7.324) 7.451 21.249 ( -1.573 -1.073 8.395) 8.609 21.413 ( 4.079 -1.189 -7.800) 8.882 23.099 ( -5.170 -1.741 7.168) 9.008 23.404 ( 8.343 -1.129 -4.758) 9.671 26.753 ( -1.048 0.715 0.096) 1.272 26.785 ( 0.621 -0.491 -0.112) 0.800 29.426 ( -0.651 3.885 1.011) 4.067 29.565 ( 7.994 -1.962 -0.350) 8.239 30.174 ( -1.920 2.745 17.702) 18.016 30.260 ( -6.993 2.301 -18.919) 20.301 30.850 ( -1.096 0.960 0.055) 1.458 30.878 ( 0.576 0.478 -0.212) 0.778 31.393 ( -9.503 3.228 7.605) 12.592 31.694 ( 3.774 4.967 -6.836) 9.255 32.236 ( -1.534 0.323 2.900) 3.297 32.324 ( 2.178 0.556 -0.530) 2.309 32.531 ( -3.316 -0.832 -5.006) 6.061 32.751 ( 12.007 0.949 0.931) 12.081 33.736 ( -1.740 -0.270 7.360) 7.568 33.842 ( 1.526 -0.780 -7.650) 7.840 35.751 ( 0.897 0.200 6.163) 6.231 35.782 ( -1.119 0.414 -7.886) 7.976 36.329 ( -3.345 1.235 -2.276) 4.230 36.412 ( 2.123 3.113 6.278) 7.321 36.463 ( -2.197 -0.472 0.208) 2.257 36.608 ( 3.544 -0.658 -5.282) 6.395 37.802 ( -12.966 -6.831 14.629) 20.707 38.273 ( 9.144 -5.131 -10.501) 14.840 ======================= Grid point 176 (86/93) ======================= q-point: (-0.25 0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.042 ( -3.313 3.097 -1.449) 4.761 1.125 ( -1.293 1.701 -0.828) 2.292 1.592 ( 3.575 6.111 -2.818) 7.620 1.910 ( 10.011 12.038 1.844) 15.764 2.271 ( 6.053 3.312 -2.101) 7.213 2.513 ( -1.585 3.533 -1.972) 4.345 2.645 ( 0.439 -7.572 4.292) 8.715 2.757 ( -11.037 1.291 -2.004) 11.292 2.899 ( -2.267 1.400 -4.453) 5.189 3.010 ( -5.126 -2.486 6.614) 8.729 3.210 ( 4.194 7.606 -5.169) 10.107 3.302 ( 1.555 -4.090 2.338) 4.961 3.496 ( -3.001 1.457 -6.808) 7.581 3.728 ( 0.383 -1.743 8.503) 8.688 3.756 ( 0.036 -4.964 2.271) 5.459 3.827 ( 3.287 -1.284 -5.457) 6.498 3.850 ( -7.197 -13.826 3.224) 15.917 4.014 ( -2.387 3.266 -0.001) 4.045 4.164 ( -4.875 10.979 5.296) 13.128 4.317 ( -2.187 -6.157 1.546) 6.714 4.483 ( 5.667 1.466 -9.691) 11.321 4.645 ( 2.742 -0.547 6.534) 7.107 4.790 ( 1.927 -3.903 3.223) 5.417 4.861 ( -3.132 -0.376 2.806) 4.222 4.953 ( -2.757 -4.671 5.071) 7.426 5.090 ( 0.271 -2.514 0.208) 2.537 5.194 ( -0.630 4.557 -0.760) 4.663 5.381 ( -1.589 3.791 -4.503) 6.097 5.418 ( 1.153 -0.281 -3.721) 3.906 5.621 ( -5.061 -4.649 -0.412) 6.884 5.626 ( -4.044 5.917 0.728) 7.204 5.866 ( 1.783 1.893 1.442) 2.973 6.107 ( -3.461 -3.180 0.857) 4.777 6.391 ( -2.019 -2.955 -3.222) 4.816 6.759 ( -1.869 4.130 -6.631) 8.033 7.018 ( -3.840 -1.293 9.787) 10.592 7.098 ( 2.333 1.783 -0.521) 2.982 7.364 ( -2.115 0.458 -3.988) 4.537 7.452 ( -3.564 0.577 -0.011) 3.611 7.519 ( 10.188 -4.390 -2.510) 11.374 8.721 ( 2.967 0.680 -0.552) 3.094 8.916 ( -4.865 -3.793 2.190) 6.546 9.003 ( 6.064 -1.311 0.054) 6.204 9.350 ( 1.915 0.223 -1.914) 2.717 9.432 ( 2.235 0.677 1.197) 2.624 9.514 ( 10.928 -0.255 -3.191) 11.387 9.659 ( 6.555 -2.062 2.153) 7.201 9.712 ( 5.625 -7.286 -0.366) 9.211 10.247 ( -6.823 7.707 2.218) 10.529 10.364 ( -7.913 4.510 -2.733) 9.509 10.505 ( -9.463 -2.838 3.845) 10.601 10.688 ( -0.473 0.437 -3.663) 3.720 11.275 ( 10.764 -0.758 1.614) 10.910 11.322 ( 9.946 1.110 -0.849) 10.043 11.588 ( 6.571 -2.349 -1.041) 7.055 11.737 ( 7.928 0.596 1.285) 8.053 12.772 ( -12.599 -4.032 -0.413) 13.235 12.963 ( -6.716 -5.491 0.566) 8.694 13.327 ( -1.793 -1.442 -1.197) 2.593 13.402 ( -4.221 -1.539 1.609) 4.772 13.553 ( 0.318 5.070 0.545) 5.109 13.742 ( 0.690 -1.992 -0.734) 2.232 13.921 ( -1.223 4.133 -0.563) 4.346 14.028 ( 0.919 -0.111 0.704) 1.163 14.454 ( 1.787 3.114 0.025) 3.590 14.580 ( -4.994 3.694 -0.429) 6.227 14.869 ( -9.568 10.538 0.167) 14.235 15.130 ( 3.172 -1.605 0.429) 3.581 15.550 ( -0.873 -2.144 0.830) 2.459 15.682 ( 1.189 3.270 1.043) 3.632 15.729 ( -0.492 3.787 -1.329) 4.043 15.887 ( -3.040 4.179 -0.441) 5.186 16.608 ( 2.663 1.929 -0.840) 3.393 16.688 ( 1.524 -0.907 0.082) 1.776 16.750 ( -0.407 -0.783 0.769) 1.170 16.832 ( 3.247 0.198 -2.326) 3.999 19.136 ( -1.534 -2.590 1.902) 3.561 19.371 ( 1.407 -3.431 -2.071) 4.248 20.304 ( -4.130 7.208 1.341) 8.415 20.480 ( -0.088 -0.035 -1.758) 1.761 21.296 ( -0.847 -1.213 8.376) 8.505 21.456 ( 4.658 -1.979 -6.613) 8.328 23.115 ( -1.867 -3.891 6.611) 7.895 23.512 ( 6.356 -0.920 -3.773) 7.448 26.724 ( -1.161 1.286 -0.072) 1.734 26.802 ( 0.617 -0.883 -0.081) 1.080 29.301 ( -5.454 11.300 -0.366) 12.553 29.754 ( 11.399 -0.436 0.138) 11.408 30.067 ( -4.836 -3.941 -8.010) 10.152 30.259 ( 2.512 -2.463 12.997) 13.465 30.815 ( -1.607 2.409 0.638) 2.965 30.874 ( 0.272 1.196 -0.476) 1.316 31.222 ( -11.337 5.505 6.011) 13.963 31.639 ( 2.582 10.295 -1.993) 10.799 32.245 ( 0.415 -0.310 2.791) 2.839 32.345 ( 1.097 0.783 0.168) 1.358 32.497 ( 0.840 -1.980 -3.907) 4.460 32.899 ( 9.572 4.217 -3.157) 10.926 33.750 ( -2.754 -1.121 7.392) 7.967 33.841 ( 3.017 -0.921 -7.077) 7.748 35.693 ( -2.753 0.720 -7.932) 8.427 35.801 ( 1.092 0.044 4.814) 4.937 36.175 ( -3.163 4.192 -15.707) 16.562 36.396 ( -3.613 -0.381 9.014) 9.719 36.524 ( 2.083 1.619 5.477) 6.080 36.637 ( 3.660 -0.283 -5.431) 6.555 37.793 ( -12.500 -12.298 15.067) 23.119 38.393 ( 6.533 -5.622 -10.017) 13.215 ======================= Grid point 177 (87/93) ======================= q-point: (-0.12 0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( -2.368 2.930 -2.341) 4.435 1.058 ( -2.193 3.100 -0.751) 3.871 1.596 ( 5.883 6.124 2.613) 8.884 1.916 ( 5.880 9.801 -4.721) 12.366 2.278 ( -2.843 5.844 -9.579) 11.576 2.390 ( -13.010 0.856 -4.515) 13.797 2.640 ( 8.931 -4.650 8.674) 13.290 2.818 ( 4.036 2.408 -3.427) 5.817 2.851 ( -1.976 -7.293 0.308) 7.563 3.017 ( -2.381 -6.665 12.121) 14.036 3.228 ( 6.095 0.897 -2.981) 6.844 3.418 ( 6.455 2.758 -0.801) 7.065 3.452 ( -3.138 -6.477 0.372) 7.207 3.667 ( -5.314 5.512 -6.401) 9.980 3.725 ( -1.413 -5.018 -1.396) 5.396 3.886 ( -1.707 -0.797 1.154) 2.209 3.939 ( -2.204 -0.129 4.384) 4.908 4.024 ( -3.441 -7.561 6.464) 10.526 4.064 ( 7.846 5.102 2.892) 9.796 4.355 ( -3.057 -6.951 -0.234) 7.598 4.483 ( 4.103 6.042 -7.371) 10.377 4.698 ( 0.881 -1.521 0.109) 1.761 4.841 ( 0.295 -3.453 -1.243) 3.681 4.883 ( -4.198 -4.417 7.531) 9.687 4.927 ( -6.306 0.980 3.661) 7.357 5.089 ( -2.426 2.109 -0.550) 3.261 5.157 ( 3.818 6.526 3.469) 8.319 5.215 ( -2.416 2.751 -2.657) 4.524 5.440 ( -0.264 -0.312 -4.612) 4.630 5.507 ( -2.833 5.346 2.144) 6.419 5.595 ( -5.546 -6.621 -3.362) 9.268 5.899 ( 3.334 2.244 1.196) 4.193 6.111 ( -1.399 -4.935 0.162) 5.132 6.324 ( -4.446 0.453 -1.715) 4.787 6.670 ( -0.437 4.659 -3.375) 5.770 6.898 ( -8.863 4.484 1.465) 10.040 7.135 ( 1.547 1.076 6.456) 6.725 7.337 ( 0.572 -2.207 -6.631) 7.012 7.456 ( 2.071 -1.119 1.001) 2.558 7.734 ( 9.596 -4.983 -0.911) 10.851 8.746 ( 1.546 1.060 -1.688) 2.522 8.912 ( -3.573 -3.376 3.413) 5.984 9.120 ( 5.690 -3.314 -0.734) 6.625 9.309 ( 0.444 2.455 -3.677) 4.443 9.519 ( 5.637 -1.531 0.379) 5.853 9.698 ( 8.637 -1.272 -0.739) 8.761 9.722 ( 3.301 -0.372 1.607) 3.690 9.896 ( 4.695 -5.239 -0.982) 7.103 10.099 ( -3.243 4.712 1.579) 5.934 10.189 ( -7.110 0.736 -2.457) 7.559 10.336 ( -13.556 3.483 2.662) 14.247 10.655 ( 0.416 1.871 -2.110) 2.851 11.437 ( 6.580 -0.466 1.053) 6.680 11.465 ( 8.109 0.196 0.159) 8.113 11.691 ( 3.894 -1.383 0.478) 4.160 11.837 ( 4.280 0.648 0.595) 4.370 12.615 ( -10.176 -2.538 0.122) 10.488 13.013 ( 2.259 -7.497 0.054) 7.830 13.341 ( -1.523 -5.777 -0.486) 5.994 13.434 ( 4.609 -5.815 0.985) 7.485 13.490 ( -1.197 5.784 0.158) 5.908 13.752 ( 1.541 0.812 -0.603) 1.843 13.850 ( -2.045 1.586 -1.144) 2.829 14.068 ( 2.136 0.724 1.238) 2.573 14.356 ( -8.671 12.627 -1.132) 15.360 14.437 ( -6.803 4.052 0.268) 7.923 14.588 ( -7.793 4.711 0.574) 9.125 15.196 ( 2.964 -0.718 -0.565) 3.102 15.556 ( -1.320 -1.509 0.491) 2.064 15.685 ( 3.025 4.377 -0.738) 5.372 15.708 ( 0.508 -0.140 0.609) 0.805 15.809 ( -2.531 2.053 0.522) 3.301 16.633 ( 3.478 2.258 -0.364) 4.162 16.696 ( -1.578 -1.781 -0.623) 2.460 16.774 ( 0.780 -0.533 2.070) 2.275 16.871 ( 3.513 0.155 -3.311) 4.829 19.170 ( 1.034 -1.958 1.984) 2.973 19.395 ( -0.577 -2.188 -1.851) 2.923 20.185 ( -2.752 5.508 0.674) 6.194 20.478 ( 0.299 -0.325 -0.490) 0.660 21.342 ( -1.164 -0.610 7.991) 8.098 21.509 ( 3.912 -1.747 -5.781) 7.196 23.192 ( 0.185 -5.282 6.316) 8.236 23.560 ( 2.459 1.206 -3.725) 4.623 26.696 ( -0.706 0.964 -0.144) 1.204 26.817 ( 0.380 -0.589 -0.076) 0.705 29.094 ( -5.003 8.867 0.148) 10.182 29.786 ( 0.445 8.067 -0.980) 8.138 30.197 ( 7.762 -17.453 -1.987) 19.204 30.466 ( 4.795 -6.793 12.301) 14.848 30.738 ( -3.467 5.925 0.481) 6.882 30.859 ( 0.538 1.948 -0.914) 2.218 31.037 ( -7.335 3.248 2.396) 8.372 31.552 ( 1.949 12.851 1.222) 13.056 32.282 ( 1.042 -0.697 2.701) 2.977 32.345 ( 0.089 0.741 0.221) 0.778 32.537 ( 3.143 -1.991 -1.431) 3.986 32.914 ( 3.527 6.312 -7.890) 10.702 33.768 ( -3.478 -2.454 7.969) 9.035 33.867 ( 5.097 0.566 -6.305) 8.127 35.590 ( -3.155 0.665 -6.419) 7.183 35.845 ( 1.271 -0.190 3.053) 3.312 35.994 ( -2.339 3.585 -14.384) 15.007 36.408 ( -3.371 -1.202 9.511) 10.162 36.550 ( 0.172 1.592 3.437) 3.792 36.667 ( 4.337 -0.053 -6.324) 7.669 37.819 ( -10.995 -11.978 13.331) 21.026 38.458 ( 4.097 -2.006 -9.251) 10.314 ======================= Grid point 183 (88/93) ======================= q-point: (-0.38 -0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( -2.704 -0.000 -1.746) 3.219 1.142 ( 0.899 0.000 -1.034) 1.370 1.688 ( 9.606 0.000 -5.792) 11.217 2.069 ( 9.772 0.000 9.931) 13.933 2.269 ( -3.413 -0.000 -2.894) 4.475 2.468 ( -4.246 -0.000 0.620) 4.291 2.583 ( -5.318 -0.000 -8.167) 9.746 2.718 ( -11.028 -0.000 -1.548) 11.136 2.996 ( -1.658 -0.000 12.114) 12.226 3.023 ( -0.705 -0.000 -2.356) 2.459 3.220 ( 0.101 0.000 2.733) 2.735 3.426 ( -0.323 -0.000 -2.708) 2.727 3.512 ( -0.640 -0.000 0.673) 0.929 3.554 ( -8.401 -0.000 -15.128) 17.304 3.655 ( 1.844 0.000 0.845) 2.029 3.711 ( 0.897 0.000 16.013) 16.039 3.827 ( 0.225 0.000 -4.529) 4.535 4.136 ( -7.223 -0.000 0.052) 7.223 4.196 ( 0.665 0.000 1.297) 1.458 4.314 ( -2.201 -0.000 6.087) 6.473 4.500 ( 8.300 0.000 -12.064) 14.643 4.643 ( -0.963 -0.000 4.550) 4.651 4.759 ( 5.544 0.000 6.565) 8.593 4.826 ( -5.780 -0.000 1.457) 5.961 4.924 ( 3.518 0.000 6.899) 7.744 5.033 ( -2.860 -0.000 -0.368) 2.884 5.269 ( 1.555 0.000 3.174) 3.534 5.370 ( 7.794 0.000 -9.182) 12.044 5.442 ( -8.282 -0.000 -0.639) 8.307 5.558 ( -5.161 -0.000 -3.362) 6.160 5.731 ( -6.444 -0.000 3.044) 7.127 5.849 ( 0.406 0.000 -0.625) 0.745 6.097 ( -2.631 -0.000 2.445) 3.591 6.349 ( 1.346 0.000 -3.859) 4.087 6.812 ( -0.720 -0.000 -9.617) 9.644 6.996 ( -3.486 -0.000 11.489) 12.006 7.113 ( 5.203 0.000 -0.036) 5.203 7.376 ( -0.560 -0.000 -4.006) 4.045 7.460 ( 4.963 0.000 -3.879) 6.299 7.478 ( -1.962 -0.000 1.567) 2.511 8.731 ( 1.972 0.000 0.813) 2.134 8.885 ( -5.077 -0.000 0.369) 5.091 8.977 ( 4.959 0.000 0.586) 4.993 9.367 ( 4.612 0.000 -2.458) 5.226 9.436 ( 5.079 0.000 2.898) 5.848 9.507 ( 9.752 0.000 -4.071) 10.568 9.628 ( 3.802 0.000 -0.058) 3.802 9.635 ( 6.542 0.000 2.305) 6.936 10.362 ( -12.518 -0.000 2.198) 12.709 10.431 ( -5.690 -0.000 0.968) 5.772 10.437 ( -8.000 -0.000 -0.679) 8.028 10.670 ( 1.464 0.000 -2.617) 2.999 11.269 ( 11.281 0.000 1.742) 11.415 11.348 ( 10.606 0.000 -1.548) 10.718 11.558 ( 6.799 0.000 -1.524) 6.968 11.743 ( 8.059 0.000 1.496) 8.197 12.732 ( -10.870 -0.000 -0.518) 10.882 12.903 ( -9.603 -0.000 0.700) 9.628 13.315 ( -4.679 -0.000 -1.534) 4.924 13.383 ( -3.743 -0.000 1.975) 4.232 13.642 ( 0.205 0.000 1.025) 1.045 13.680 ( 2.034 0.000 -1.386) 2.462 13.994 ( -3.864 -0.000 -0.930) 3.974 14.002 ( 2.976 0.000 1.407) 3.292 14.483 ( 0.976 0.000 0.224) 1.001 14.616 ( -6.649 -0.000 -0.974) 6.720 15.045 ( 3.171 0.000 -1.314) 3.433 15.052 ( -5.879 -0.000 2.600) 6.428 15.525 ( -1.243 -0.000 1.163) 1.702 15.702 ( 2.644 0.000 -1.393) 2.989 15.790 ( -4.295 -0.000 1.957) 4.720 15.927 ( -4.439 -0.000 -2.520) 5.104 16.630 ( 2.655 0.000 -0.382) 2.682 16.674 ( 0.802 0.000 -0.098) 0.808 16.742 ( -0.396 -0.000 0.663) 0.772 16.834 ( 2.744 0.000 -1.814) 3.290 19.111 ( -0.657 -0.000 2.261) 2.354 19.334 ( 2.373 0.000 -2.513) 3.456 20.420 ( -3.214 -0.000 6.468) 7.223 20.442 ( -2.606 -0.000 -7.158) 7.618 21.285 ( -0.228 -0.000 8.766) 8.769 21.435 ( 5.006 0.000 -7.065) 8.659 23.073 ( -2.403 -0.000 6.457) 6.889 23.499 ( 7.023 0.000 -3.851) 8.009 26.745 ( -0.722 -0.000 -0.130) 0.733 26.786 ( 0.181 0.000 0.017) 0.182 29.475 ( 0.281 0.000 -0.695) 0.750 29.672 ( 7.036 0.000 0.253) 7.041 30.062 ( -4.839 -0.000 -10.580) 11.634 30.213 ( -5.353 -0.000 13.597) 14.613 30.836 ( -1.428 -0.000 0.395) 1.481 30.887 ( 0.353 0.000 -0.267) 0.442 31.283 ( -12.211 -0.000 7.241) 14.197 31.754 ( 3.852 0.000 -2.134) 4.403 32.245 ( -0.082 -0.000 3.552) 3.553 32.346 ( 0.172 0.000 -0.928) 0.944 32.475 ( 1.205 0.000 -3.561) 3.759 32.944 ( 10.629 0.000 -2.450) 10.907 33.737 ( -3.463 -0.000 6.774) 7.608 33.831 ( 3.747 0.000 -7.066) 7.998 35.701 ( -2.616 -0.000 -8.520) 8.912 35.801 ( 0.813 0.000 4.981) 5.047 36.222 ( -3.061 -0.000 -17.107) 17.379 36.394 ( -4.267 -0.000 8.189) 9.234 36.538 ( 2.594 0.000 5.041) 5.669 36.635 ( 2.862 0.000 -2.690) 3.928 37.662 ( -11.456 -0.000 16.287) 19.913 38.336 ( 9.375 0.000 -10.126) 13.800 ======================= Grid point 184 (89/93) ======================= q-point: (-0.25 -0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( -2.237 2.628 -1.384) 3.718 1.115 ( -2.333 1.847 -1.659) 3.407 1.789 ( 8.466 11.768 0.937) 14.527 2.101 ( -8.789 6.089 -4.730) 11.691 2.281 ( -14.085 -4.176 -3.027) 15.000 2.350 ( 1.767 -16.320 -3.016) 16.690 2.457 ( -1.333 7.734 0.801) 7.889 2.678 ( 4.767 -11.085 3.502) 12.565 2.970 ( 4.411 10.684 -2.144) 11.756 3.026 ( -6.332 4.112 12.261) 14.399 3.255 ( 1.414 -6.559 -0.022) 6.710 3.345 ( 2.660 4.597 -1.245) 5.455 3.457 ( 3.265 1.170 -2.857) 4.493 3.637 ( -1.303 -7.266 3.190) 8.042 3.684 ( -0.793 -7.144 -1.793) 7.408 3.757 ( -0.598 -0.523 -9.676) 9.709 3.867 ( 1.805 -0.598 10.481) 10.652 4.044 ( 2.222 2.610 3.112) 4.630 4.179 ( -4.390 -1.857 0.429) 4.786 4.317 ( 1.161 6.868 2.529) 7.411 4.580 ( 8.395 3.328 -10.563) 13.897 4.655 ( 1.290 -2.723 -0.112) 3.015 4.762 ( -7.646 -5.906 4.652) 10.723 4.800 ( -0.863 -0.285 2.584) 2.739 4.942 ( -3.988 0.222 -0.082) 3.995 5.070 ( -1.731 -2.117 7.738) 8.207 5.270 ( -2.702 4.126 -3.349) 5.961 5.303 ( 1.397 4.962 3.314) 6.129 5.412 ( 0.302 -2.564 -4.612) 5.286 5.463 ( -5.128 -5.299 -5.450) 9.169 5.620 ( -5.579 4.751 2.346) 7.694 5.861 ( -0.951 -3.743 -2.302) 4.496 6.093 ( 1.064 1.189 3.311) 3.676 6.333 ( -1.127 0.259 -1.435) 1.843 6.759 ( 2.441 3.022 -8.166) 9.043 6.962 ( -7.249 1.272 5.705) 9.312 7.167 ( 1.312 1.640 3.818) 4.357 7.302 ( -2.851 -1.089 -4.315) 5.285 7.498 ( 6.130 4.727 0.617) 7.765 7.618 ( 9.389 -6.206 -0.944) 11.294 8.781 ( 2.805 1.425 -1.377) 3.434 8.849 ( -0.535 -1.825 3.651) 4.117 9.055 ( 3.447 -2.424 -1.240) 4.393 9.356 ( -0.408 1.409 -4.166) 4.416 9.526 ( 6.224 1.767 1.498) 6.641 9.679 ( 7.995 -0.492 -1.791) 8.208 9.708 ( 6.930 -0.482 1.850) 7.189 9.782 ( 6.649 -5.033 1.450) 8.464 10.163 ( -9.899 1.911 0.781) 10.112 10.235 ( -9.446 1.878 -3.541) 10.261 10.380 ( -7.600 1.210 3.712) 8.544 10.658 ( -1.604 -0.843 -2.802) 3.337 11.444 ( 7.559 0.675 1.406) 7.718 11.470 ( 6.284 0.294 -0.395) 6.304 11.665 ( 5.776 -1.030 -0.385) 5.880 11.848 ( 3.807 0.336 1.189) 4.002 12.620 ( -2.197 2.273 -0.252) 3.172 12.844 ( 0.171 -7.071 0.335) 7.081 13.260 ( -2.193 -1.892 -0.837) 3.015 13.362 ( -0.745 -1.642 1.419) 2.294 13.605 ( -0.983 4.837 0.469) 4.958 13.715 ( 0.003 -3.366 -1.003) 3.512 13.918 ( -2.672 3.387 -0.415) 4.334 14.054 ( 0.691 -1.549 0.706) 1.837 14.455 ( -3.749 1.466 0.073) 4.026 14.500 ( -4.150 0.609 -0.615) 4.239 14.831 ( -11.757 15.312 0.405) 19.309 15.101 ( -3.351 -9.043 -0.221) 9.646 15.524 ( -1.299 -0.642 0.991) 1.756 15.711 ( -0.113 0.243 -0.137) 0.301 15.749 ( -0.326 1.708 0.229) 1.754 15.845 ( -2.997 0.864 -1.138) 3.320 16.659 ( -1.847 -0.998 -0.708) 2.215 16.668 ( 2.561 0.778 -0.153) 2.681 16.766 ( 0.992 -0.309 1.999) 2.253 16.875 ( 4.241 0.165 -3.102) 5.257 19.147 ( 2.780 -0.412 2.592) 3.823 19.357 ( 1.584 -1.198 -2.550) 3.232 20.311 ( -3.453 6.188 -2.129) 7.400 20.435 ( -2.368 -3.687 1.605) 4.667 21.340 ( 0.035 0.188 8.800) 8.802 21.480 ( 5.003 -0.914 -6.325) 8.116 23.102 ( -0.665 -2.779 6.226) 6.850 23.566 ( 3.827 -0.155 -3.864) 5.440 26.725 ( -0.472 1.511 -0.216) 1.598 26.795 ( 0.115 -1.250 0.039) 1.256 29.330 ( -6.491 12.411 -1.941) 14.140 29.825 ( -3.835 -15.007 1.551) 15.566 29.975 ( 5.711 7.550 -0.572) 9.484 30.290 ( 3.777 -8.576 5.115) 10.676 30.802 ( -3.555 1.160 1.447) 4.010 30.886 ( 0.353 0.638 -0.621) 0.958 31.105 ( -12.200 2.314 5.238) 13.477 31.776 ( 3.686 7.062 0.150) 7.968 32.273 ( 0.716 0.084 3.247) 3.326 32.331 ( -0.908 -1.685 -1.954) 2.735 32.513 ( 3.395 -0.388 0.292) 3.430 33.018 ( 4.183 3.125 -9.072) 10.467 33.720 ( -4.607 -1.696 6.894) 8.463 33.876 ( 6.595 0.261 -5.674) 8.704 35.601 ( -3.061 0.333 -7.253) 7.879 35.841 ( 0.893 -0.187 3.256) 3.382 36.052 ( -2.596 1.719 -18.151) 18.416 36.393 ( -3.757 -0.316 10.477) 11.135 36.574 ( -1.527 0.632 4.580) 4.869 36.663 ( 3.950 -0.124 -5.415) 6.704 37.642 ( -8.001 -4.791 18.785) 20.973 38.430 ( 9.620 -0.693 -10.611) 14.339 ======================= Grid point 185 (90/93) ======================= q-point: (-0.12 -0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( 0.488 4.439 -1.720) 4.785 1.033 ( -3.054 0.131 -2.281) 3.814 1.707 ( -13.271 0.535 0.986) 13.319 1.872 ( -8.206 -1.717 -4.776) 9.649 2.046 ( -8.053 -1.065 -5.649) 9.894 2.274 ( -2.781 8.373 -0.155) 8.824 2.706 ( 6.363 -17.062 -4.208) 18.690 2.866 ( -0.430 2.364 10.448) 10.721 2.881 ( 0.250 6.483 4.145) 7.699 3.077 ( 5.110 -5.010 9.007) 11.504 3.269 ( -0.792 1.441 -3.765) 4.108 3.428 ( 1.720 1.047 3.208) 3.787 3.536 ( 4.614 3.281 0.389) 5.675 3.590 ( 1.748 -1.113 -8.692) 8.936 3.644 ( 0.123 -5.363 -3.039) 6.165 3.816 ( -3.530 -4.819 0.871) 6.036 3.927 ( 1.340 -5.085 3.747) 6.457 4.024 ( -4.012 11.595 4.761) 13.161 4.260 ( 6.131 -3.389 5.163) 8.702 4.294 ( 6.404 2.465 -1.353) 6.994 4.557 ( 2.385 3.312 -6.273) 7.484 4.698 ( -4.919 -2.385 3.487) 6.484 4.736 ( -1.902 -1.165 -0.140) 2.235 4.832 ( 3.633 -4.358 -2.015) 6.021 4.900 ( -3.619 1.300 4.491) 5.912 5.020 ( -2.380 -4.338 0.090) 4.949 5.205 ( -1.526 2.215 -1.355) 3.012 5.298 ( 0.155 2.736 -5.505) 6.150 5.408 ( -2.251 -5.669 -4.781) 7.750 5.444 ( 2.012 2.749 0.298) 3.420 5.535 ( -0.457 2.905 5.007) 5.806 5.861 ( -2.632 -5.713 -2.549) 6.787 6.145 ( 3.865 1.063 3.449) 5.288 6.301 ( 0.174 2.943 -0.018) 2.948 6.705 ( 0.672 5.892 -4.250) 7.296 6.854 ( -2.110 3.255 -0.994) 4.004 7.192 ( -1.058 0.796 7.722) 7.835 7.259 ( -2.085 -3.183 -5.321) 6.542 7.550 ( 5.319 5.434 0.593) 7.627 7.803 ( 5.251 -4.230 -0.229) 6.747 8.763 ( -0.186 2.057 -0.759) 2.201 8.923 ( 4.937 0.427 1.381) 5.144 9.118 ( 0.220 -4.450 -0.960) 4.558 9.325 ( 1.068 0.456 -3.335) 3.531 9.610 ( 5.629 1.222 0.265) 5.766 9.730 ( -2.974 3.039 0.544) 4.287 9.781 ( 0.885 -2.229 0.042) 2.398 9.935 ( 3.792 -3.104 0.681) 4.948 10.087 ( -2.755 1.004 -2.686) 3.976 10.095 ( 0.254 -2.657 1.171) 2.915 10.215 ( -7.905 5.983 3.046) 10.372 10.618 ( -2.869 -2.720 -2.617) 4.741 11.498 ( 0.183 -0.235 0.785) 0.839 11.524 ( -1.364 -0.318 0.734) 1.581 11.747 ( 3.095 0.049 0.406) 3.122 11.871 ( -0.738 0.359 0.160) 0.836 12.610 ( 7.473 6.563 -0.041) 9.946 13.005 ( 5.995 -7.324 -0.136) 9.466 13.279 ( 0.687 -4.535 0.071) 4.587 13.438 ( 3.662 -7.632 0.491) 8.480 13.532 ( -0.815 5.916 0.013) 5.971 13.751 ( 1.694 -4.636 -0.697) 4.985 13.849 ( -0.861 3.153 0.276) 3.280 14.061 ( -2.704 -2.375 0.057) 3.599 14.332 ( -12.195 16.878 -0.982) 20.846 14.386 ( -4.447 4.056 0.712) 6.061 14.535 ( -2.240 1.224 0.209) 2.561 15.129 ( -5.196 -10.143 -0.249) 11.399 15.495 ( -3.851 -2.443 0.752) 4.622 15.689 ( -2.005 0.651 -1.148) 2.401 15.752 ( 1.152 -0.008 0.913) 1.470 15.801 ( -0.374 2.447 -0.230) 2.486 16.633 ( -2.567 -1.595 -0.583) 3.078 16.695 ( 1.840 0.798 -0.254) 2.022 16.786 ( -0.781 -0.486 2.229) 2.412 16.911 ( 3.364 1.552 -3.711) 5.244 19.225 ( 4.735 0.897 1.873) 5.171 19.377 ( 1.810 -0.693 -2.410) 3.093 20.193 ( -2.605 4.730 -1.179) 5.527 20.446 ( -1.604 -3.384 0.451) 3.773 21.383 ( -0.571 1.286 8.294) 8.412 21.522 ( 3.753 -0.570 -5.875) 6.994 23.185 ( 0.800 -5.418 6.239) 8.302 23.570 ( 0.649 1.101 -4.469) 4.648 26.703 ( 0.009 1.658 -0.183) 1.668 26.809 ( -0.147 -1.263 0.001) 1.271 29.105 ( -5.246 8.964 -0.247) 10.389 29.732 ( -10.556 -2.176 0.538) 10.792 30.201 ( 10.365 -12.031 2.946) 16.151 30.473 ( -1.142 -5.014 5.146) 7.275 30.704 ( -3.652 -0.559 -0.501) 3.728 30.886 ( 1.941 0.786 -1.750) 2.729 30.983 ( -2.715 0.604 1.539) 3.179 31.715 ( 1.582 12.878 -2.012) 13.130 32.299 ( 0.219 -0.966 1.104) 1.483 32.338 ( -0.391 -1.484 0.729) 1.699 32.573 ( 2.194 -0.798 1.624) 2.844 32.909 ( -2.691 4.123 -14.448) 15.264 33.714 ( -4.572 -3.235 6.503) 8.583 33.944 ( 6.599 1.502 -5.420) 8.670 35.523 ( -1.576 0.325 -3.815) 4.141 35.872 ( 0.828 -0.406 1.238) 1.544 35.896 ( -2.693 1.490 -11.866) 12.259 36.404 ( -3.393 -0.713 9.731) 10.330 36.552 ( -3.342 -0.267 3.279) 4.689 36.690 ( 3.694 -0.145 -7.007) 7.922 37.724 ( -3.247 -4.097 20.897) 21.541 38.517 ( 10.201 2.299 -10.349) 14.712 ======================= Grid point 192 (91/93) ======================= q-point: (-0.25 -0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.018 ( 1.831 0.000 -0.254) 1.849 1.025 ( -7.809 -0.000 -4.286) 8.908 1.734 ( -22.688 -0.000 -0.240) 22.689 1.800 ( -23.949 -0.000 0.006) 23.949 2.162 ( 8.027 0.000 -7.570) 11.034 2.275 ( 1.717 0.000 -1.743) 2.446 2.544 ( -2.011 -0.000 -2.044) 2.867 2.823 ( 15.880 0.000 7.392) 17.516 2.934 ( -13.122 -0.000 12.208) 17.923 3.138 ( 5.066 0.000 0.595) 5.101 3.298 ( -8.106 -0.000 0.331) 8.113 3.334 ( 11.120 0.000 4.474) 11.986 3.576 ( 6.906 0.000 1.996) 7.189 3.583 ( -1.348 -0.000 -9.126) 9.225 3.627 ( -5.181 -0.000 4.053) 6.578 3.721 ( 7.900 0.000 -13.507) 15.648 3.886 ( -2.209 -0.000 7.939) 8.241 4.178 ( 5.544 0.000 0.812) 5.604 4.220 ( 11.448 0.000 5.693) 12.785 4.362 ( -1.063 -0.000 -0.374) 1.127 4.525 ( -13.572 -0.000 9.467) 16.548 4.674 ( 1.840 0.000 0.129) 1.845 4.697 ( 6.987 0.000 -10.498) 12.610 4.858 ( -2.562 -0.000 -3.324) 4.196 4.870 ( 6.773 0.000 1.079) 6.859 4.954 ( -12.459 -0.000 6.986) 14.283 5.277 ( 0.122 0.000 -0.100) 0.157 5.281 ( -7.308 -0.000 -7.661) 10.587 5.349 ( 1.647 0.000 -8.557) 8.714 5.482 ( 5.644 0.000 2.844) 6.320 5.577 ( -1.850 -0.000 4.072) 4.472 5.783 ( -3.240 -0.000 -2.390) 4.026 6.159 ( 2.948 0.000 3.784) 4.797 6.338 ( 1.365 0.000 0.657) 1.515 6.778 ( 4.119 0.000 -8.027) 9.022 6.891 ( -5.458 -0.000 1.373) 5.628 7.211 ( -0.896 -0.000 6.386) 6.448 7.213 ( -3.796 -0.000 -3.394) 5.092 7.666 ( 6.302 0.000 -1.363) 6.447 7.703 ( 8.545 0.000 1.597) 8.693 8.794 ( -0.309 -0.000 -0.335) 0.456 8.930 ( 7.075 0.000 3.273) 7.795 9.061 ( 0.560 0.000 -2.743) 2.799 9.320 ( -0.728 -0.000 -3.737) 3.807 9.657 ( 6.558 0.000 1.034) 6.639 9.729 ( 1.795 0.000 -0.470) 1.855 9.781 ( -3.466 -0.000 1.005) 3.609 9.884 ( 5.923 0.000 1.534) 6.119 10.059 ( -2.808 -0.000 1.046) 2.997 10.103 ( -2.444 -0.000 -3.652) 4.394 10.294 ( -7.088 -0.000 3.411) 7.866 10.574 ( -5.204 -0.000 -3.388) 6.210 11.497 ( -1.277 -0.000 0.474) 1.362 11.518 ( -0.452 -0.000 1.138) 1.224 11.748 ( 4.503 0.000 0.133) 4.505 11.876 ( -1.203 -0.000 0.606) 1.347 12.748 ( 12.577 0.000 -0.436) 12.585 12.855 ( 7.261 0.000 0.151) 7.263 13.230 ( 0.380 0.000 -0.117) 0.398 13.358 ( 0.643 0.000 0.724) 0.968 13.623 ( -0.579 -0.000 1.226) 1.356 13.676 ( -0.527 -0.000 -1.522) 1.611 13.904 ( -1.572 -0.000 0.582) 1.677 14.008 ( -3.872 -0.000 -0.776) 3.949 14.411 ( -2.377 -0.000 -0.307) 2.396 14.472 ( -0.288 -0.000 0.591) 0.657 14.812 ( -15.138 -0.000 -1.371) 15.200 14.818 ( -9.820 -0.000 0.649) 9.841 15.480 ( -5.020 -0.000 1.370) 5.204 15.692 ( -1.684 -0.000 -1.517) 2.267 15.753 ( -0.674 -0.000 2.377) 2.470 15.827 ( 0.848 0.000 -1.998) 2.171 16.617 ( -2.038 -0.000 -0.313) 2.062 16.701 ( 0.959 0.000 -0.463) 1.065 16.781 ( -0.809 -0.000 2.322) 2.459 16.930 ( 4.816 0.000 -4.016) 6.271 19.238 ( 6.139 0.000 3.100) 6.877 19.366 ( 2.592 0.000 -3.553) 4.398 20.271 ( -2.828 -0.000 -5.523) 6.205 20.384 ( -3.218 -0.000 4.305) 5.375 21.400 ( 0.113 0.000 9.276) 9.277 21.515 ( 4.680 0.000 -6.383) 7.915 23.119 ( -0.035 -0.000 6.464) 6.464 23.579 ( 1.277 0.000 -4.642) 4.814 26.729 ( 0.025 0.000 -0.273) 0.274 26.788 ( -0.153 -0.000 0.080) 0.173 29.264 ( -8.317 -0.000 -2.390) 8.654 29.629 ( -11.527 -0.000 4.070) 12.224 30.116 ( 4.028 0.000 3.826) 5.555 30.371 ( 11.585 0.000 -2.042) 11.764 30.714 ( -10.237 -0.000 2.817) 10.618 30.894 ( 1.091 0.000 -1.055) 1.517 30.992 ( -4.670 -0.000 2.508) 5.301 31.871 ( 3.287 0.000 -2.660) 4.229 32.286 ( -0.779 -0.000 -2.765) 2.873 32.308 ( 0.171 0.000 3.995) 3.999 32.567 ( 1.814 0.000 2.499) 3.088 32.958 ( -3.383 -0.000 -17.994) 18.309 33.674 ( -4.913 -0.000 7.439) 8.915 33.960 ( 7.174 0.000 -5.773) 9.208 35.527 ( -1.613 -0.000 -4.242) 4.538 35.867 ( 0.718 0.000 1.431) 1.601 35.913 ( -2.994 -0.000 -13.825) 14.145 36.397 ( -3.782 -0.000 10.659) 11.310 36.548 ( -4.807 -0.000 3.791) 6.122 36.688 ( 3.831 0.000 -6.965) 7.949 37.683 ( -0.887 -0.000 24.789) 24.805 38.541 ( 12.764 0.000 -11.271) 17.028 ======================= Grid point 193 (92/93) ======================= q-point: (-0.12 -0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.853 ( -10.467 -2.663 -5.622) 12.176 1.036 ( 0.951 1.441 -0.990) 1.990 1.365 ( -20.906 2.134 6.541) 22.009 1.537 ( -18.388 -13.098 8.880) 24.260 2.070 ( -12.548 0.349 0.231) 12.555 2.242 ( -0.962 9.881 -6.048) 11.625 2.571 ( 1.143 -11.831 -9.952) 15.502 2.831 ( -8.268 -0.162 11.126) 13.863 3.044 ( 3.669 -1.161 4.758) 6.119 3.098 ( -5.357 2.182 1.682) 6.024 3.200 ( -5.325 1.233 1.152) 5.586 3.435 ( -2.433 6.046 -6.512) 9.213 3.556 ( 0.463 -5.780 0.219) 5.803 3.603 ( -1.124 -5.459 2.279) 6.021 3.689 ( 7.444 -3.223 -1.612) 8.271 3.785 ( 10.040 4.905 -5.584) 12.492 3.972 ( 4.548 -0.508 7.783) 9.029 4.142 ( -3.837 13.346 2.820) 14.170 4.331 ( -2.885 1.366 6.126) 6.908 4.451 ( 6.715 -4.362 4.127) 9.008 4.514 ( 8.625 -6.393 -2.355) 10.992 4.670 ( 1.130 2.821 -0.466) 3.074 4.769 ( -1.924 4.933 0.531) 5.322 4.842 ( 9.433 -3.709 1.340) 10.224 4.908 ( 1.539 -3.733 -2.497) 4.747 5.029 ( 9.863 -2.601 1.164) 10.266 5.110 ( -6.957 -0.358 -7.693) 10.378 5.246 ( -5.525 -1.707 0.880) 5.849 5.322 ( 1.642 1.404 -8.624) 8.891 5.479 ( 1.202 2.085 -3.548) 4.287 5.688 ( 7.824 2.247 6.292) 10.289 5.756 ( -0.944 -4.217 -1.573) 4.599 6.236 ( 4.232 0.132 3.607) 5.562 6.375 ( 4.094 2.736 1.408) 5.122 6.758 ( 1.516 6.854 -3.969) 8.064 6.862 ( 4.087 -2.472 -3.648) 6.010 7.142 ( -4.244 -2.517 -3.458) 6.025 7.225 ( -2.586 0.568 8.286) 8.698 7.695 ( 3.473 6.530 -0.331) 7.404 7.819 ( 0.648 -1.998 0.017) 2.100 8.787 ( 1.020 2.144 0.151) 2.379 9.034 ( 1.003 -0.587 -2.799) 3.031 9.077 ( 5.330 -0.940 2.536) 5.977 9.310 ( 0.509 -0.681 -3.479) 3.582 9.645 ( -8.381 3.138 -0.512) 8.964 9.697 ( -6.628 -0.477 0.308) 6.653 9.715 ( -2.085 0.447 0.135) 2.137 9.923 ( 0.533 -2.008 3.454) 4.030 10.073 ( 0.712 1.809 -1.139) 2.253 10.112 ( 1.391 -1.876 1.929) 3.029 10.274 ( 7.712 2.807 -0.419) 8.217 10.499 ( -3.529 -5.030 -2.635) 6.686 11.458 ( -4.103 -0.096 0.627) 4.152 11.474 ( -4.987 0.490 1.093) 5.129 11.773 ( -1.073 0.934 -0.539) 1.521 11.825 ( -4.975 -0.167 0.049) 4.978 12.902 ( 15.310 9.218 -0.326) 17.873 13.055 ( 8.240 -4.896 -0.359) 9.591 13.268 ( 1.839 -2.159 0.151) 2.840 13.400 ( 0.410 -6.495 0.247) 6.513 13.601 ( 2.428 6.328 -0.276) 6.783 13.734 ( 4.491 -6.926 0.340) 8.261 13.878 ( 0.652 2.116 0.638) 2.304 13.971 ( -3.007 -4.104 -0.335) 5.099 14.274 ( -18.165 19.644 -0.990) 26.774 14.388 ( 0.450 1.515 0.335) 1.616 14.527 ( -2.043 1.567 0.272) 2.589 14.839 ( -9.288 -20.391 -1.047) 22.431 15.408 ( -4.733 -1.338 1.141) 5.049 15.635 ( -3.754 -0.135 -2.617) 4.579 15.766 ( -0.064 -0.176 2.737) 2.743 15.818 ( -0.304 1.445 -1.679) 2.236 16.589 ( -1.556 -0.024 0.035) 1.557 16.695 ( -1.150 -0.616 -1.759) 2.190 16.766 ( -2.998 -0.323 2.265) 3.771 16.950 ( 1.510 2.069 -4.912) 5.540 19.346 ( 6.151 3.379 0.194) 7.021 19.407 ( 4.979 -1.409 -1.629) 5.425 20.180 ( -2.056 3.015 -3.422) 5.003 20.374 ( -3.229 -3.838 1.156) 5.147 21.448 ( -0.116 2.074 8.604) 8.851 21.542 ( 3.594 0.251 -6.292) 7.250 23.188 ( 0.785 -4.182 6.634) 7.882 23.552 ( -0.152 0.800 -5.457) 5.518 26.723 ( 0.443 1.484 -0.184) 1.560 26.791 ( -0.439 -1.211 0.013) 1.288 29.093 ( -5.881 6.042 -0.058) 8.432 29.498 ( -11.343 -7.350 1.290) 13.578 30.143 ( -12.521 -6.019 8.511) 16.293 30.513 ( 6.759 3.443 -2.844) 8.101 30.644 ( 3.227 -7.056 -2.852) 8.267 30.912 ( 2.766 -0.192 -3.367) 4.362 30.986 ( 1.595 -0.205 1.158) 1.981 31.779 ( -4.452 9.301 -15.840) 18.900 32.275 ( -0.476 -2.225 -1.605) 2.785 32.322 ( -1.886 -0.633 2.003) 2.823 32.591 ( -1.146 -0.058 2.076) 2.372 32.722 ( -9.291 -0.933 -16.763) 19.188 33.664 ( -3.679 -1.582 8.073) 9.012 34.013 ( 5.168 0.981 -7.579) 9.225 35.507 ( 0.866 0.027 0.413) 0.959 35.810 ( -2.126 0.041 -3.567) 4.153 35.879 ( 0.170 -0.284 -0.644) 0.724 36.405 ( -3.435 -0.358 9.821) 10.411 36.489 ( -5.216 -1.207 2.251) 5.808 36.693 ( 2.590 0.061 -8.001) 8.411 37.912 ( 8.634 2.009 30.060) 31.340 38.683 ( 14.821 2.896 -10.526) 18.408 ======================= Grid point 201 (93/93) ======================= q-point: (-0.12 -0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.586 ( -14.115 -0.000 -7.241) 15.864 0.919 ( -16.065 -0.000 5.100) 16.855 1.270 ( -4.356 -0.000 10.775) 11.622 1.317 ( -12.908 -0.000 24.828) 27.983 1.671 ( -28.433 -0.000 13.604) 31.520 2.292 ( -2.411 -0.000 -14.971) 15.164 2.398 ( -1.855 -0.000 -17.644) 17.741 2.772 ( -6.640 -0.000 10.701) 12.593 2.834 ( -15.172 -0.000 -6.148) 16.370 3.073 ( -4.345 -0.000 -0.699) 4.401 3.234 ( -2.222 -0.000 14.443) 14.613 3.415 ( 2.483 0.000 -5.889) 6.391 3.460 ( -1.453 -0.000 -5.609) 5.795 3.568 ( -2.970 -0.000 2.026) 3.595 3.776 ( 3.379 0.000 0.878) 3.492 3.975 ( 9.188 0.000 -12.884) 15.824 4.050 ( -4.011 -0.000 13.328) 13.918 4.169 ( -2.196 -0.000 2.380) 3.238 4.285 ( 3.405 0.000 2.443) 4.191 4.552 ( -2.788 -0.000 11.789) 12.114 4.676 ( 12.958 0.000 -6.403) 14.454 4.702 ( 3.964 0.000 -1.154) 4.129 4.806 ( 2.237 0.000 1.971) 2.981 4.881 ( 3.326 0.000 -9.685) 10.240 4.897 ( -5.087 -0.000 -8.414) 9.833 5.124 ( 11.260 0.000 11.776) 16.293 5.161 ( -3.561 -0.000 3.469) 4.972 5.194 ( 8.985 0.000 -1.847) 9.173 5.312 ( 3.528 0.000 -6.922) 7.769 5.519 ( 6.799 0.000 -6.945) 9.719 5.757 ( 6.246 0.000 0.634) 6.278 5.881 ( 9.384 0.000 5.500) 10.877 6.341 ( 6.346 0.000 2.091) 6.681 6.484 ( 6.239 0.000 1.113) 6.338 6.835 ( 4.895 0.000 -1.376) 5.085 6.922 ( 8.656 0.000 -3.185) 9.223 7.049 ( -1.372 -0.000 -2.955) 3.258 7.234 ( -3.266 -0.000 9.203) 9.766 7.747 ( -0.685 -0.000 -1.906) 2.025 7.768 ( -6.297 -0.000 0.235) 6.302 8.839 ( 3.697 0.000 -0.171) 3.701 8.995 ( -0.627 -0.000 -1.301) 1.444 9.194 ( 4.635 0.000 2.221) 5.140 9.279 ( -4.577 -0.000 -1.824) 4.927 9.471 ( -11.083 -0.000 0.808) 11.112 9.502 ( -15.105 -0.000 0.075) 15.105 9.723 ( 2.576 0.000 -1.617) 3.041 9.987 ( 5.256 0.000 3.312) 6.212 10.048 ( -2.724 -0.000 -2.107) 3.444 10.206 ( 7.837 0.000 2.030) 8.096 10.404 ( -2.288 -0.000 -0.191) 2.296 10.448 ( 11.034 0.000 -2.064) 11.225 11.382 ( -6.074 -0.000 -0.142) 6.076 11.387 ( -7.391 -0.000 1.383) 7.519 11.714 ( -5.302 -0.000 -2.077) 5.694 11.736 ( -5.348 -0.000 0.183) 5.351 13.131 ( 6.932 0.000 -0.605) 6.958 13.190 ( 9.390 0.000 -0.486) 9.403 13.300 ( 3.248 0.000 -0.836) 3.354 13.348 ( -0.846 -0.000 0.382) 0.928 13.704 ( 4.188 0.000 -0.953) 4.295 13.806 ( 8.846 0.000 1.720) 9.012 13.893 ( -3.356 -0.000 0.120) 3.358 13.935 ( 4.491 0.000 0.571) 4.527 14.068 ( -18.732 -0.000 -1.125) 18.766 14.389 ( -8.051 -0.000 -4.249) 9.104 14.465 ( -5.872 -0.000 -0.157) 5.874 14.558 ( -3.448 -0.000 -0.356) 3.467 15.356 ( -0.977 -0.000 0.510) 1.102 15.535 ( -5.530 -0.000 -4.783) 7.312 15.769 ( -2.005 -0.000 2.026) 2.851 15.786 ( -3.453 -0.000 -1.364) 3.713 16.583 ( 0.298 0.000 0.793) 0.847 16.628 ( -3.969 -0.000 -4.708) 6.158 16.713 ( -4.778 -0.000 1.991) 5.176 16.908 ( -4.300 -0.000 -5.169) 6.723 19.453 ( 6.612 0.000 -3.869) 7.661 19.502 ( 6.348 0.000 2.574) 6.851 20.150 ( -0.399 -0.000 -4.450) 4.468 20.287 ( -5.624 -0.000 0.852) 5.688 21.515 ( 0.437 0.000 6.503) 6.518 21.561 ( 3.300 0.000 -6.258) 7.075 23.217 ( 0.409 0.000 7.275) 7.287 23.519 ( 0.120 0.000 -6.210) 6.211 26.739 ( 0.628 0.000 -0.111) 0.638 26.776 ( -0.529 -0.000 -0.043) 0.530 29.036 ( -5.335 -0.000 1.530) 5.550 29.286 ( -9.173 -0.000 -0.595) 9.192 29.876 ( -20.721 -0.000 6.918) 21.845 30.577 ( -2.564 -0.000 -21.996) 22.145 30.642 ( 4.441 0.000 1.147) 4.587 30.883 ( -4.330 -0.000 -8.653) 9.675 31.039 ( 4.110 0.000 1.350) 4.326 31.459 ( -17.713 -0.000 -24.052) 29.871 32.241 ( -1.240 -0.000 -0.512) 1.342 32.277 ( -3.449 -0.000 -0.190) 3.454 32.523 ( -5.066 -0.000 -0.150) 5.068 32.573 ( -2.654 -0.000 1.947) 3.292 33.670 ( -1.984 -0.000 9.882) 10.079 34.035 ( 3.634 0.000 -9.343) 10.025 35.553 ( 2.625 0.000 3.730) 4.561 35.813 ( 2.601 0.000 5.136) 5.757 35.863 ( -0.656 -0.000 -2.577) 2.660 36.403 ( -5.652 -0.000 0.862) 5.718 36.411 ( -2.960 -0.000 9.624) 10.069 36.678 ( 2.084 0.000 -8.525) 8.776 38.393 ( 23.669 0.000 30.822) 38.861 38.895 ( 16.288 0.000 -8.622) 18.429 =================== 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 3/34560 10.0 5.878 6.295 4.787 0.000 1.189 -0.000 3/34560 20.0 2.229 2.374 2.335 0.000 0.286 -0.000 3/34560 30.0 1.465 1.542 1.518 0.000 0.154 -0.000 3/34560 40.0 1.140 1.182 1.161 0.000 0.095 -0.000 3/34560 50.0 0.958 0.972 0.958 0.000 0.062 -0.000 3/34560 60.0 0.843 0.833 0.825 0.000 0.041 -0.000 3/34560 70.0 0.766 0.735 0.729 0.000 0.028 -0.000 3/34560 80.0 0.714 0.663 0.656 0.000 0.020 -0.000 3/34560 90.0 0.677 0.610 0.597 0.000 0.014 -0.000 3/34560 100.0 0.651 0.570 0.550 0.000 0.009 -0.000 3/34560 110.0 0.632 0.540 0.510 0.000 0.006 -0.000 3/34560 120.0 0.617 0.516 0.476 0.000 0.004 -0.000 3/34560 130.0 0.604 0.498 0.447 0.000 0.002 -0.000 3/34560 140.0 0.593 0.483 0.422 0.000 0.001 -0.000 3/34560 150.0 0.583 0.470 0.401 0.000 -0.001 -0.000 3/34560 160.0 0.573 0.459 0.382 0.000 -0.002 -0.000 3/34560 170.0 0.563 0.449 0.366 0.000 -0.003 -0.000 3/34560 180.0 0.554 0.440 0.352 0.000 -0.004 -0.000 3/34560 190.0 0.545 0.431 0.340 0.000 -0.004 -0.000 3/34560 200.0 0.536 0.423 0.329 0.000 -0.005 -0.000 3/34560 210.0 0.527 0.416 0.320 0.000 -0.006 -0.000 3/34560 220.0 0.518 0.409 0.312 0.000 -0.007 -0.000 3/34560 230.0 0.510 0.402 0.306 0.000 -0.008 -0.000 3/34560 240.0 0.501 0.395 0.300 0.000 -0.008 -0.000 3/34560 250.0 0.493 0.389 0.295 0.000 -0.009 -0.000 3/34560 260.0 0.485 0.383 0.291 0.000 -0.010 -0.000 3/34560 270.0 0.478 0.377 0.288 0.000 -0.011 -0.000 3/34560 280.0 0.470 0.371 0.285 0.000 -0.012 -0.000 3/34560 290.0 0.463 0.366 0.283 0.000 -0.012 -0.000 3/34560 300.0 0.456 0.360 0.281 0.000 -0.013 -0.000 3/34560 310.0 0.450 0.355 0.280 0.000 -0.014 -0.000 3/34560 320.0 0.443 0.350 0.278 0.000 -0.015 -0.000 3/34560 330.0 0.437 0.345 0.277 0.000 -0.015 -0.000 3/34560 340.0 0.431 0.341 0.277 0.000 -0.016 -0.000 3/34560 350.0 0.425 0.336 0.276 0.000 -0.017 -0.000 3/34560 360.0 0.419 0.331 0.275 0.000 -0.017 -0.000 3/34560 370.0 0.413 0.327 0.274 0.000 -0.018 -0.000 3/34560 380.0 0.407 0.323 0.274 0.000 -0.019 -0.000 3/34560 390.0 0.402 0.319 0.273 0.000 -0.019 -0.000 3/34560 400.0 0.397 0.314 0.273 0.000 -0.020 -0.000 3/34560 410.0 0.392 0.310 0.272 0.000 -0.020 -0.000 3/34560 420.0 0.386 0.307 0.272 0.000 -0.021 -0.000 3/34560 430.0 0.382 0.303 0.271 0.000 -0.021 -0.000 3/34560 440.0 0.377 0.299 0.270 0.000 -0.021 -0.000 3/34560 450.0 0.372 0.295 0.270 0.000 -0.022 -0.000 3/34560 460.0 0.367 0.292 0.269 0.000 -0.022 -0.000 3/34560 470.0 0.363 0.288 0.268 0.000 -0.022 -0.000 3/34560 480.0 0.358 0.285 0.267 0.000 -0.023 -0.000 3/34560 490.0 0.354 0.281 0.266 0.000 -0.023 -0.000 3/34560 500.0 0.350 0.278 0.265 0.000 -0.023 -0.000 3/34560 510.0 0.345 0.275 0.264 0.000 -0.023 -0.000 3/34560 520.0 0.341 0.271 0.263 0.000 -0.024 -0.000 3/34560 530.0 0.337 0.268 0.262 0.000 -0.024 -0.000 3/34560 540.0 0.333 0.265 0.261 0.000 -0.024 -0.000 3/34560 550.0 0.330 0.262 0.260 0.000 -0.024 -0.000 3/34560 560.0 0.326 0.259 0.259 0.000 -0.024 -0.000 3/34560 570.0 0.322 0.256 0.257 0.000 -0.024 -0.000 3/34560 580.0 0.318 0.253 0.256 0.000 -0.024 -0.000 3/34560 590.0 0.315 0.250 0.255 0.000 -0.024 -0.000 3/34560 600.0 0.311 0.248 0.253 0.000 -0.025 -0.000 3/34560 610.0 0.308 0.245 0.252 0.000 -0.025 -0.000 3/34560 620.0 0.304 0.242 0.251 0.000 -0.025 -0.000 3/34560 630.0 0.301 0.240 0.249 0.000 -0.025 -0.000 3/34560 640.0 0.298 0.237 0.248 0.000 -0.025 -0.000 3/34560 650.0 0.294 0.234 0.246 0.000 -0.025 -0.000 3/34560 660.0 0.291 0.232 0.245 0.000 -0.025 -0.000 3/34560 670.0 0.288 0.230 0.243 0.000 -0.025 -0.000 3/34560 680.0 0.285 0.227 0.242 0.000 -0.025 -0.000 3/34560 690.0 0.282 0.225 0.240 0.000 -0.025 -0.000 3/34560 700.0 0.279 0.222 0.239 0.000 -0.025 -0.000 3/34560 710.0 0.276 0.220 0.237 0.000 -0.025 -0.000 3/34560 720.0 0.273 0.218 0.236 0.000 -0.024 -0.000 3/34560 730.0 0.271 0.216 0.234 0.000 -0.024 -0.000 3/34560 740.0 0.268 0.213 0.233 0.000 -0.024 -0.000 3/34560 750.0 0.265 0.211 0.231 0.000 -0.024 -0.000 3/34560 760.0 0.262 0.209 0.229 0.000 -0.024 -0.000 3/34560 770.0 0.260 0.207 0.228 0.000 -0.024 -0.000 3/34560 780.0 0.257 0.205 0.226 0.000 -0.024 -0.000 3/34560 790.0 0.255 0.203 0.225 0.000 -0.024 -0.000 3/34560 800.0 0.252 0.201 0.223 0.000 -0.024 -0.000 3/34560 810.0 0.250 0.199 0.222 0.000 -0.024 -0.000 3/34560 820.0 0.247 0.197 0.220 0.000 -0.024 -0.000 3/34560 830.0 0.245 0.196 0.219 0.000 -0.024 -0.000 3/34560 840.0 0.243 0.194 0.217 0.000 -0.024 -0.000 3/34560 850.0 0.240 0.192 0.216 0.000 -0.023 -0.000 3/34560 860.0 0.238 0.190 0.214 0.000 -0.023 -0.000 3/34560 870.0 0.236 0.188 0.213 0.000 -0.023 -0.000 3/34560 880.0 0.234 0.187 0.211 0.000 -0.023 -0.000 3/34560 890.0 0.232 0.185 0.210 0.000 -0.023 -0.000 3/34560 900.0 0.230 0.183 0.208 0.000 -0.023 -0.000 3/34560 910.0 0.227 0.182 0.207 0.000 -0.023 -0.000 3/34560 920.0 0.225 0.180 0.206 0.000 -0.023 -0.000 3/34560 930.0 0.223 0.178 0.204 0.000 -0.023 -0.000 3/34560 940.0 0.221 0.177 0.203 0.000 -0.022 -0.000 3/34560 950.0 0.220 0.175 0.201 0.000 -0.022 -0.000 3/34560 960.0 0.218 0.174 0.200 0.000 -0.022 -0.000 3/34560 970.0 0.216 0.172 0.199 0.000 -0.022 -0.000 3/34560 980.0 0.214 0.171 0.197 0.000 -0.022 -0.000 3/34560 990.0 0.212 0.169 0.196 0.000 -0.022 -0.000 3/34560 1000.0 0.210 0.168 0.195 0.000 -0.022 -0.000 3/34560 Thermal conductivity related properties were written into "kappa-m885.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 11:28:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|