----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 00:31:33]------------------------- Compiled with OpenMP support (max 48 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: [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pna2_1 (33) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 12.681446610000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.337062409999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.092987129999997 Atomic positions (fractional): *1 O 0.24270547913139 0.96006714342121 0.88856643045514 15.999 2 O 0.75729452086861 0.03993285657879 0.38856643045514 15.999 3 O 0.74270547913139 0.53993285657879 0.88856643045514 15.999 4 O 0.25729452086861 0.46006714342121 0.38856643045514 15.999 *5 O 0.24578285004938 0.04046248390443 0.12296559246120 15.999 6 O 0.75421714995061 0.95953751609557 0.62296559246120 15.999 7 O 0.74578285004939 0.45953751609557 0.12296559246120 15.999 8 O 0.25421714995062 0.54046248390443 0.62296559246120 15.999 *9 O 0.39058767824802 0.19579907022408 0.97204735653766 15.999 10 O 0.60941232175198 0.80420092977592 0.47204735653766 15.999 11 O 0.89058767824802 0.30420092977592 0.97204735653766 15.999 12 O 0.10941232175198 0.69579907022408 0.47204735653766 15.999 *13 O 0.39159250537498 0.81133926565092 0.03320607549801 15.999 14 O 0.60840749462502 0.18866073434908 0.53320607549801 15.999 15 O 0.89159250537498 0.68866073434908 0.03320607549801 15.999 *16 O 0.90118832539933 0.68766531681036 0.72819012067172 15.999 17 O 0.10840749462502 0.31133926565092 0.53320607549801 15.999 *18 O 0.72363851621849 0.53253017841917 0.63596528485372 15.999 19 O 0.77636148378151 0.03253017841917 0.13596528485372 15.999 20 O 0.22363851621849 0.96746982158083 0.63596528485372 15.999 *21 O 0.26906822215477 0.54640837396448 0.87821418838773 15.999 22 O 0.73093177784523 0.45359162603552 0.37821418838773 15.999 23 O 0.76906822215477 0.95359162603552 0.87821418838773 15.999 24 O 0.23093177784523 0.04640837396448 0.37821418838773 15.999 *25 O 0.48593929495947 0.48324891504363 0.13145235287112 15.999 26 O 0.51406070504053 0.51675108495637 0.63145235287112 15.999 27 O 0.98593929495947 0.01675108495637 0.13145235287112 15.999 28 O 0.01406070504053 0.98324891504363 0.63145235287112 15.999 *29 O 0.51794544012855 0.47534402351043 0.37519037451701 15.999 30 O 0.48205455987145 0.52465597648957 0.87519037451701 15.999 31 O 0.01794544012855 0.02465597648957 0.37519037451701 15.999 32 O 0.98205455987145 0.97534402351043 0.87519037451701 15.999 *33 O 0.40474682309409 0.19314501784947 0.27488532958603 15.999 34 O 0.59525317690591 0.80685498215053 0.77488532958603 15.999 35 O 0.90474682309409 0.30685498215053 0.27488532958603 15.999 36 O 0.09525317690591 0.69314501784947 0.77488532958603 15.999 37 O 0.59881167460067 0.18766531681036 0.22819012067172 15.999 38 O 0.40118832539933 0.81233468318964 0.72819012067172 15.999 39 O 0.09881167460067 0.31233468318964 0.22819012067172 15.999 40 O 0.27636148378151 0.46746982158083 0.13596528485372 15.999 *41 P 0.99729348208919 0.83318127921629 0.75095045926795 30.974 42 P 0.50270651791081 0.33318127921629 0.25095045926795 30.974 43 P 0.49729348208919 0.66681872078371 0.75095045926795 30.974 44 P 0.00270651791081 0.16681872078371 0.25095045926795 30.974 *45 P 0.17956237312935 0.50347013917759 0.50348245724888 30.974 46 P 0.82043762687065 0.49652986082241 0.00348245724888 30.974 47 P 0.67956237312935 0.99652986082241 0.50348245724888 30.974 48 P 0.32043762687065 0.00347013917759 0.00348245724888 30.974 *49 K 0.39118437032172 0.18935997106954 0.56621260971653 39.098 *50 K 0.61916498318544 0.22162498378054 0.81249269835196 39.098 51 K 0.88083501681456 0.72162498378054 0.31249269835196 39.098 52 K 0.11916498318544 0.27837501621945 0.81249269835196 39.098 53 K 0.38083501681456 0.77837501621946 0.31249269835196 39.098 54 K 0.10881562967828 0.68935997106954 0.06621260971653 39.098 55 K 0.89118437032172 0.31064002893046 0.56621260971653 39.098 56 K 0.60881562967828 0.81064002893046 0.06621260971653 39.098 *57 Ge 0.25084698404095 0.75386776918654 0.75277569073609 72.640 58 Ge 0.74915301595905 0.24613223081346 0.25277569073609 72.640 59 Ge 0.75084698404095 0.74613223081346 0.75277569073609 72.640 60 Ge 0.24915301595905 0.25386776918654 0.25277569073609 72.640 *61 Ge 0.12979024824862 0.99757003047608 0.50139300883926 72.640 62 Ge 0.87020975175138 0.00242996952392 0.00139300883926 72.640 63 Ge 0.62979024824862 0.50242996952392 0.50139300883926 72.640 64 Ge 0.37020975175138 0.49757003047609 0.00139300883926 72.640 -------------------------------- unit cell --------------------------------- Lattice vectors: a 12.681446610000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.337062409999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.092987129999997 Atomic positions (fractional): *1 O 0.24270547913139 0.96006714342121 0.88856643045514 15.999 > 1 2 O 0.75729452086861 0.03993285657879 0.38856643045514 15.999 > 2 3 O 0.74270547913139 0.53993285657879 0.88856643045514 15.999 > 3 4 O 0.25729452086861 0.46006714342121 0.38856643045514 15.999 > 4 *5 O 0.24578285004938 0.04046248390443 0.12296559246120 15.999 > 5 6 O 0.75421714995061 0.95953751609557 0.62296559246120 15.999 > 6 7 O 0.74578285004939 0.45953751609557 0.12296559246120 15.999 > 7 8 O 0.25421714995062 0.54046248390443 0.62296559246120 15.999 > 8 *9 O 0.39058767824802 0.19579907022408 0.97204735653766 15.999 > 9 10 O 0.60941232175198 0.80420092977592 0.47204735653766 15.999 > 10 11 O 0.89058767824802 0.30420092977592 0.97204735653766 15.999 > 11 12 O 0.10941232175198 0.69579907022408 0.47204735653766 15.999 > 12 *13 O 0.39159250537498 0.81133926565092 0.03320607549801 15.999 > 13 14 O 0.60840749462502 0.18866073434908 0.53320607549801 15.999 > 14 15 O 0.89159250537498 0.68866073434908 0.03320607549801 15.999 > 15 *16 O 0.90118832539933 0.68766531681036 0.72819012067172 15.999 > 16 17 O 0.10840749462502 0.31133926565092 0.53320607549801 15.999 > 17 *18 O 0.72363851621849 0.53253017841917 0.63596528485372 15.999 > 18 19 O 0.77636148378151 0.03253017841917 0.13596528485372 15.999 > 19 20 O 0.22363851621849 0.96746982158083 0.63596528485372 15.999 > 20 *21 O 0.26906822215477 0.54640837396448 0.87821418838773 15.999 > 21 22 O 0.73093177784523 0.45359162603552 0.37821418838773 15.999 > 22 23 O 0.76906822215477 0.95359162603552 0.87821418838773 15.999 > 23 24 O 0.23093177784523 0.04640837396448 0.37821418838773 15.999 > 24 *25 O 0.48593929495947 0.48324891504363 0.13145235287112 15.999 > 25 26 O 0.51406070504053 0.51675108495637 0.63145235287112 15.999 > 26 27 O 0.98593929495947 0.01675108495637 0.13145235287112 15.999 > 27 28 O 0.01406070504053 0.98324891504363 0.63145235287112 15.999 > 28 *29 O 0.51794544012855 0.47534402351043 0.37519037451701 15.999 > 29 30 O 0.48205455987145 0.52465597648957 0.87519037451701 15.999 > 30 31 O 0.01794544012855 0.02465597648957 0.37519037451701 15.999 > 31 32 O 0.98205455987145 0.97534402351043 0.87519037451701 15.999 > 32 *33 O 0.40474682309409 0.19314501784947 0.27488532958603 15.999 > 33 34 O 0.59525317690591 0.80685498215053 0.77488532958603 15.999 > 34 35 O 0.90474682309409 0.30685498215053 0.27488532958603 15.999 > 35 36 O 0.09525317690591 0.69314501784947 0.77488532958603 15.999 > 36 37 O 0.59881167460067 0.18766531681036 0.22819012067172 15.999 > 37 38 O 0.40118832539933 0.81233468318964 0.72819012067172 15.999 > 38 39 O 0.09881167460067 0.31233468318964 0.22819012067172 15.999 > 39 40 O 0.27636148378151 0.46746982158083 0.13596528485372 15.999 > 40 *41 P 0.99729348208919 0.83318127921629 0.75095045926795 30.974 > 41 42 P 0.50270651791081 0.33318127921629 0.25095045926795 30.974 > 42 43 P 0.49729348208919 0.66681872078371 0.75095045926795 30.974 > 43 44 P 0.00270651791081 0.16681872078371 0.25095045926795 30.974 > 44 *45 P 0.17956237312935 0.50347013917759 0.50348245724888 30.974 > 45 46 P 0.82043762687065 0.49652986082241 0.00348245724888 30.974 > 46 47 P 0.67956237312935 0.99652986082241 0.50348245724888 30.974 > 47 48 P 0.32043762687065 0.00347013917759 0.00348245724888 30.974 > 48 *49 K 0.39118437032172 0.18935997106954 0.56621260971653 39.098 > 49 *50 K 0.61916498318544 0.22162498378054 0.81249269835196 39.098 > 50 51 K 0.88083501681456 0.72162498378054 0.31249269835196 39.098 > 51 52 K 0.11916498318544 0.27837501621945 0.81249269835196 39.098 > 52 53 K 0.38083501681456 0.77837501621946 0.31249269835196 39.098 > 53 54 K 0.10881562967828 0.68935997106954 0.06621260971653 39.098 > 54 55 K 0.89118437032172 0.31064002893046 0.56621260971653 39.098 > 55 56 K 0.60881562967828 0.81064002893046 0.06621260971653 39.098 > 56 *57 Ge 0.25084698404095 0.75386776918654 0.75277569073609 72.640 > 57 58 Ge 0.74915301595905 0.24613223081346 0.25277569073609 72.640 > 58 59 Ge 0.75084698404095 0.74613223081346 0.75277569073609 72.640 > 59 60 Ge 0.24915301595905 0.25386776918654 0.25277569073609 72.640 > 60 *61 Ge 0.12979024824862 0.99757003047608 0.50139300883926 72.640 > 61 62 Ge 0.87020975175138 0.00242996952392 0.00139300883926 72.640 > 62 63 Ge 0.62979024824862 0.50242996952392 0.50139300883926 72.640 > 63 64 Ge 0.37020975175138 0.49757003047609 0.00139300883926 72.640 > 64 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.681446610000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.674124819999998 0.000000000000000 c 0.000000000000000 0.000000000000000 10.092987129999997 Atomic positions (fractional): *1 O 0.24270547913139 0.48003357171061 0.88856643045514 15.999 > 1 2 O 0.24270547913139 0.98003357171061 0.88856643045514 15.999 > 1 3 O 0.75729452086861 0.01996642828939 0.38856643045514 15.999 > 2 4 O 0.75729452086861 0.51996642828939 0.38856643045514 15.999 > 2 5 O 0.74270547913139 0.26996642828939 0.88856643045514 15.999 > 3 6 O 0.74270547913139 0.76996642828939 0.88856643045514 15.999 > 3 7 O 0.25729452086861 0.23003357171061 0.38856643045514 15.999 > 4 8 O 0.25729452086861 0.73003357171061 0.38856643045514 15.999 > 4 *9 O 0.24578285004938 0.02023124195221 0.12296559246120 15.999 > 5 10 O 0.24578285004938 0.52023124195222 0.12296559246120 15.999 > 5 11 O 0.75421714995061 0.47976875804779 0.62296559246120 15.999 > 6 12 O 0.75421714995061 0.97976875804778 0.62296559246120 15.999 > 6 13 O 0.74578285004939 0.22976875804778 0.12296559246120 15.999 > 7 14 O 0.74578285004939 0.72976875804778 0.12296559246120 15.999 > 7 15 O 0.25421714995062 0.27023124195221 0.62296559246120 15.999 > 8 16 O 0.25421714995062 0.77023124195222 0.62296559246120 15.999 > 8 *17 O 0.39058767824802 0.09789953511204 0.97204735653766 15.999 > 9 18 O 0.39058767824802 0.59789953511204 0.97204735653766 15.999 > 9 19 O 0.60941232175198 0.40210046488796 0.47204735653766 15.999 > 10 20 O 0.60941232175198 0.90210046488796 0.47204735653766 15.999 > 10 21 O 0.89058767824802 0.15210046488796 0.97204735653766 15.999 > 11 22 O 0.89058767824802 0.65210046488796 0.97204735653766 15.999 > 11 23 O 0.10941232175198 0.34789953511204 0.47204735653766 15.999 > 12 24 O 0.10941232175198 0.84789953511204 0.47204735653766 15.999 > 12 *25 O 0.39159250537498 0.40566963282546 0.03320607549801 15.999 > 13 26 O 0.39159250537498 0.90566963282546 0.03320607549801 15.999 > 13 27 O 0.60840749462502 0.09433036717454 0.53320607549801 15.999 > 14 28 O 0.60840749462502 0.59433036717454 0.53320607549801 15.999 > 14 29 O 0.89159250537498 0.34433036717454 0.03320607549801 15.999 > 15 30 O 0.89159250537498 0.84433036717454 0.03320607549801 15.999 > 15 *31 O 0.90118832539933 0.34383265840518 0.72819012067172 15.999 > 16 32 O 0.90118832539933 0.84383265840518 0.72819012067172 15.999 > 16 33 O 0.10840749462502 0.15566963282546 0.53320607549801 15.999 > 17 34 O 0.10840749462502 0.65566963282546 0.53320607549801 15.999 > 17 *35 O 0.72363851621849 0.26626508920958 0.63596528485372 15.999 > 18 36 O 0.72363851621849 0.76626508920958 0.63596528485372 15.999 > 18 37 O 0.77636148378151 0.01626508920958 0.13596528485372 15.999 > 19 38 O 0.77636148378151 0.51626508920958 0.13596528485372 15.999 > 19 39 O 0.22363851621849 0.48373491079042 0.63596528485372 15.999 > 20 40 O 0.22363851621849 0.98373491079042 0.63596528485372 15.999 > 20 *41 O 0.26906822215477 0.27320418698224 0.87821418838773 15.999 > 21 42 O 0.26906822215477 0.77320418698224 0.87821418838773 15.999 > 21 43 O 0.73093177784523 0.22679581301776 0.37821418838773 15.999 > 22 44 O 0.73093177784523 0.72679581301776 0.37821418838773 15.999 > 22 45 O 0.76906822215477 0.47679581301776 0.87821418838773 15.999 > 23 46 O 0.76906822215477 0.97679581301776 0.87821418838773 15.999 > 23 47 O 0.23093177784523 0.02320418698224 0.37821418838773 15.999 > 24 48 O 0.23093177784523 0.52320418698224 0.37821418838773 15.999 > 24 *49 O 0.48593929495947 0.24162445752181 0.13145235287112 15.999 > 25 50 O 0.48593929495947 0.74162445752181 0.13145235287112 15.999 > 25 51 O 0.51406070504053 0.25837554247819 0.63145235287112 15.999 > 26 52 O 0.51406070504053 0.75837554247819 0.63145235287112 15.999 > 26 53 O 0.98593929495947 0.00837554247819 0.13145235287112 15.999 > 27 54 O 0.98593929495947 0.50837554247819 0.13145235287112 15.999 > 27 55 O 0.01406070504053 0.49162445752181 0.63145235287112 15.999 > 28 56 O 0.01406070504053 0.99162445752181 0.63145235287112 15.999 > 28 *57 O 0.51794544012855 0.23767201175522 0.37519037451701 15.999 > 29 58 O 0.51794544012855 0.73767201175522 0.37519037451701 15.999 > 29 59 O 0.48205455987145 0.26232798824478 0.87519037451701 15.999 > 30 60 O 0.48205455987145 0.76232798824478 0.87519037451701 15.999 > 30 61 O 0.01794544012855 0.01232798824478 0.37519037451701 15.999 > 31 62 O 0.01794544012855 0.51232798824478 0.37519037451701 15.999 > 31 63 O 0.98205455987145 0.48767201175522 0.87519037451701 15.999 > 32 64 O 0.98205455987145 0.98767201175522 0.87519037451701 15.999 > 32 *65 O 0.40474682309409 0.09657250892474 0.27488532958603 15.999 > 33 66 O 0.40474682309409 0.59657250892474 0.27488532958603 15.999 > 33 67 O 0.59525317690591 0.40342749107526 0.77488532958603 15.999 > 34 68 O 0.59525317690591 0.90342749107526 0.77488532958603 15.999 > 34 69 O 0.90474682309409 0.15342749107526 0.27488532958603 15.999 > 35 70 O 0.90474682309409 0.65342749107526 0.27488532958603 15.999 > 35 71 O 0.09525317690591 0.34657250892474 0.77488532958603 15.999 > 36 72 O 0.09525317690591 0.84657250892474 0.77488532958603 15.999 > 36 73 O 0.59881167460067 0.09383265840518 0.22819012067172 15.999 > 37 74 O 0.59881167460067 0.59383265840518 0.22819012067172 15.999 > 37 75 O 0.40118832539933 0.40616734159482 0.72819012067172 15.999 > 38 76 O 0.40118832539933 0.90616734159482 0.72819012067172 15.999 > 38 77 O 0.09881167460067 0.15616734159482 0.22819012067172 15.999 > 39 78 O 0.09881167460067 0.65616734159482 0.22819012067172 15.999 > 39 79 O 0.27636148378151 0.23373491079042 0.13596528485372 15.999 > 40 80 O 0.27636148378151 0.73373491079042 0.13596528485372 15.999 > 40 *81 P 0.99729348208919 0.41659063960815 0.75095045926795 30.974 > 41 82 P 0.99729348208919 0.91659063960815 0.75095045926795 30.974 > 41 83 P 0.50270651791081 0.16659063960815 0.25095045926795 30.974 > 42 84 P 0.50270651791081 0.66659063960815 0.25095045926795 30.974 > 42 85 P 0.49729348208919 0.33340936039185 0.75095045926795 30.974 > 43 86 P 0.49729348208919 0.83340936039185 0.75095045926795 30.974 > 43 87 P 0.00270651791081 0.08340936039185 0.25095045926795 30.974 > 44 88 P 0.00270651791081 0.58340936039185 0.25095045926795 30.974 > 44 *89 P 0.17956237312935 0.25173506958880 0.50348245724888 30.974 > 45 90 P 0.17956237312935 0.75173506958880 0.50348245724888 30.974 > 45 91 P 0.82043762687065 0.24826493041120 0.00348245724888 30.974 > 46 92 P 0.82043762687065 0.74826493041120 0.00348245724888 30.974 > 46 93 P 0.67956237312935 0.49826493041120 0.50348245724888 30.974 > 47 94 P 0.67956237312935 0.99826493041120 0.50348245724888 30.974 > 47 95 P 0.32043762687065 0.00173506958880 0.00348245724888 30.974 > 48 96 P 0.32043762687065 0.50173506958880 0.00348245724888 30.974 > 48 *97 K 0.39118437032172 0.09467998553477 0.56621260971653 39.098 > 49 98 K 0.39118437032172 0.59467998553477 0.56621260971653 39.098 > 49 *99 K 0.61916498318544 0.11081249189027 0.81249269835196 39.098 > 50 100 K 0.61916498318544 0.61081249189027 0.81249269835196 39.098 > 50 101 K 0.88083501681456 0.36081249189027 0.31249269835196 39.098 > 51 102 K 0.88083501681456 0.86081249189027 0.31249269835196 39.098 > 51 103 K 0.11916498318544 0.13918750810973 0.81249269835196 39.098 > 52 104 K 0.11916498318544 0.63918750810973 0.81249269835196 39.098 > 52 105 K 0.38083501681456 0.38918750810973 0.31249269835196 39.098 > 53 106 K 0.38083501681456 0.88918750810973 0.31249269835196 39.098 > 53 107 K 0.10881562967828 0.34467998553477 0.06621260971653 39.098 > 54 108 K 0.10881562967828 0.84467998553477 0.06621260971653 39.098 > 54 109 K 0.89118437032172 0.15532001446523 0.56621260971653 39.098 > 55 110 K 0.89118437032172 0.65532001446523 0.56621260971653 39.098 > 55 111 K 0.60881562967828 0.40532001446523 0.06621260971653 39.098 > 56 112 K 0.60881562967828 0.90532001446523 0.06621260971653 39.098 > 56 *113 Ge 0.25084698404095 0.37693388459327 0.75277569073609 72.640 > 57 114 Ge 0.25084698404095 0.87693388459327 0.75277569073609 72.640 > 57 115 Ge 0.74915301595905 0.12306611540673 0.25277569073609 72.640 > 58 116 Ge 0.74915301595905 0.62306611540673 0.25277569073609 72.640 > 58 117 Ge 0.75084698404095 0.37306611540673 0.75277569073609 72.640 > 59 118 Ge 0.75084698404095 0.87306611540673 0.75277569073609 72.640 > 59 119 Ge 0.24915301595905 0.12693388459327 0.25277569073609 72.640 > 60 120 Ge 0.24915301595905 0.62693388459327 0.25277569073609 72.640 > 60 *121 Ge 0.12979024824862 0.49878501523804 0.50139300883926 72.640 > 61 122 Ge 0.12979024824862 0.99878501523804 0.50139300883926 72.640 > 61 123 Ge 0.87020975175138 0.00121498476196 0.00139300883926 72.640 > 62 124 Ge 0.87020975175138 0.50121498476196 0.00139300883926 72.640 > 62 125 Ge 0.62979024824862 0.25121498476196 0.50139300883926 72.640 > 63 126 Ge 0.62979024824862 0.75121498476196 0.50139300883926 72.640 > 63 127 Ge 0.37020975175138 0.24878501523804 0.00139300883926 72.640 > 64 128 Ge 0.37020975175138 0.74878501523804 0.00139300883926 72.640 > 64 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.9442599 0.0000000 0.0000000 0.0000000 2.9646626 0.0000000 0.0000000 0.0000000 3.0463629 -------------------------- Born effective charges -------------------------- 1 O -1.4193923 -0.0524558 -0.5419618 -0.1433879 -1.6241385 -0.7098741 -0.7442529 -0.5720798 -2.3438635 2 O -1.4193923 -0.0524558 0.5419618 -0.1433879 -1.6241385 0.7098741 0.7442529 0.5720798 -2.3438635 3 O -1.4193923 0.0524558 -0.5419618 0.1433879 -1.6241385 0.7098741 -0.7442529 0.5720798 -2.3438635 4 O -1.4193923 0.0524558 0.5419618 0.1433879 -1.6241385 -0.7098741 0.7442529 -0.5720798 -2.3438635 5 O -1.3704189 0.0557413 0.4938756 0.1443307 -1.6273846 -0.7597593 0.6568381 -0.6252663 -2.3663516 6 O -1.3704189 0.0557413 -0.4938756 0.1443307 -1.6273846 0.7597593 -0.6568381 0.6252663 -2.3663516 7 O -1.3704189 -0.0557413 0.4938756 -0.1443307 -1.6273846 0.7597593 0.6568381 0.6252663 -2.3663516 8 O -1.3704189 -0.0557413 -0.4938756 -0.1443307 -1.6273846 -0.7597593 -0.6568381 -0.6252663 -2.3663516 9 O -1.2355982 -0.4180496 0.1212022 -0.5602512 -2.8618326 0.0753642 0.1089747 -0.1178894 -1.1624699 10 O -1.2355982 -0.4180496 -0.1212022 -0.5602512 -2.8618326 -0.0753642 -0.1089747 0.1178894 -1.1624699 11 O -1.2355982 0.4180496 0.1212022 0.5602512 -2.8618326 -0.0753642 0.1089747 0.1178894 -1.1624699 12 O -1.2355982 0.4180496 -0.1212022 0.5602512 -2.8618326 0.0753642 -0.1089747 -0.1178894 -1.1624699 13 O -1.3495775 0.4204936 -0.1314149 0.5724814 -2.7665211 0.0727503 -0.1291031 -0.1297525 -1.2539913 14 O -1.3495775 0.4204936 0.1314149 0.5724814 -2.7665211 -0.0727503 0.1291031 0.1297525 -1.2539913 15 O -1.3495775 -0.4204936 -0.1314149 -0.5724814 -2.7665211 -0.0727503 -0.1291031 0.1297525 -1.2539913 16 O -2.8502140 -0.5762785 0.0240620 -0.4462096 -1.3089698 -0.1244366 0.1079562 -0.1278704 -1.1700486 17 O -1.3495775 -0.4204936 0.1314149 -0.5724814 -2.7665211 0.0727503 0.1291031 -0.1297525 -1.2539913 18 O -1.5857343 -0.0799058 -0.3935201 -0.1602677 -1.7067512 -0.5042654 -0.3929279 -0.4999789 -2.0497528 19 O -1.5857343 0.0799058 0.3935201 0.1602677 -1.7067512 -0.5042654 0.3929279 -0.4999789 -2.0497528 20 O -1.5857343 0.0799058 -0.3935201 0.1602677 -1.7067512 0.5042654 -0.3929279 0.4999789 -2.0497528 21 O -1.6511336 0.0905061 -0.4407921 0.1459842 -1.6706555 0.4835623 -0.4637492 0.4676131 -2.0471970 22 O -1.6511336 0.0905061 0.4407921 0.1459842 -1.6706555 -0.4835623 0.4637492 -0.4676131 -2.0471970 23 O -1.6511336 -0.0905061 -0.4407921 -0.1459842 -1.6706555 -0.4835623 -0.4637492 -0.4676131 -2.0471970 24 O -1.6511336 -0.0905061 0.4407921 -0.1459842 -1.6706555 0.4835623 0.4637492 0.4676131 -2.0471970 25 O -1.6836400 0.2477040 -0.8040971 0.0452038 -1.4597251 0.5733214 -0.5094049 0.7613347 -2.2281167 26 O -1.6836400 0.2477040 0.8040971 0.0452038 -1.4597251 -0.5733214 0.5094049 -0.7613347 -2.2281167 27 O -1.6836400 -0.2477040 -0.8040971 -0.0452038 -1.4597251 -0.5733214 -0.5094049 -0.7613347 -2.2281167 28 O -1.6836400 -0.2477040 0.8040971 -0.0452038 -1.4597251 0.5733214 0.5094049 0.7613347 -2.2281167 29 O -1.7034912 -0.2285810 -0.8933848 -0.0137499 -1.3867841 -0.5052851 -0.5414839 -0.6946479 -2.3223357 30 O -1.7034912 -0.2285810 0.8933848 -0.0137499 -1.3867841 0.5052851 0.5414839 0.6946479 -2.3223357 31 O -1.7034912 0.2285810 -0.8933848 0.0137499 -1.3867841 0.5052851 -0.5414839 0.6946479 -2.3223357 32 O -1.7034912 0.2285810 0.8933848 0.0137499 -1.3867841 -0.5052851 0.5414839 -0.6946479 -2.3223357 33 O -2.7974205 -0.5770614 0.0173034 -0.4558430 -1.3930433 0.1265753 -0.1152283 0.1123681 -1.2327896 34 O -2.7974205 -0.5770614 -0.0173034 -0.4558430 -1.3930433 -0.1265753 0.1152283 -0.1123681 -1.2327896 35 O -2.7974205 0.5770614 0.0173034 0.4558430 -1.3930433 -0.1265753 -0.1152283 -0.1123681 -1.2327896 36 O -2.7974205 0.5770614 -0.0173034 0.4558430 -1.3930433 0.1265753 0.1152283 0.1123681 -1.2327896 37 O -2.8502140 0.5762785 -0.0240620 0.4462096 -1.3089698 -0.1244366 -0.1079562 -0.1278704 -1.1700486 38 O -2.8502140 0.5762785 0.0240620 0.4462096 -1.3089698 0.1244366 0.1079562 0.1278704 -1.1700486 39 O -2.8502140 -0.5762785 -0.0240620 -0.4462096 -1.3089698 0.1244366 -0.1079562 0.1278704 -1.1700486 40 O -1.5857343 -0.0799058 0.3935201 -0.1602677 -1.7067512 0.5042654 0.3929279 0.4999789 -2.0497528 41 P 4.0789773 0.0830099 -0.7825376 0.0212924 2.9216583 -0.0690084 -0.2896966 -0.0544164 3.5692723 42 P 4.0789773 -0.0830099 0.7825376 -0.0212924 2.9216583 -0.0690084 0.2896966 -0.0544164 3.5692723 43 P 4.0789773 -0.0830099 -0.7825376 -0.0212924 2.9216583 0.0690084 -0.2896966 0.0544164 3.5692723 44 P 4.0789773 0.0830099 0.7825376 0.0212924 2.9216583 0.0690084 0.2896966 0.0544164 3.5692723 45 P 2.8838295 -0.0166246 -0.0576821 -0.0463953 4.0904946 0.5330463 -0.0873795 0.3957019 3.5326505 46 P 2.8838295 -0.0166246 0.0576821 -0.0463953 4.0904946 -0.5330463 0.0873795 -0.3957019 3.5326505 47 P 2.8838295 0.0166246 -0.0576821 0.0463953 4.0904946 -0.5330463 -0.0873795 -0.3957019 3.5326505 48 P 2.8838295 0.0166246 0.0576821 0.0463953 4.0904946 0.5330463 0.0873795 0.3957019 3.5326505 49 K 1.3810412 0.1016119 0.0015906 0.0984225 1.2279729 -0.0949921 0.0047467 -0.0579598 1.1379559 50 K 1.1725785 -0.0715694 -0.0045564 -0.0782802 1.4179601 0.0175832 0.0067957 0.0261064 1.1375616 51 K 1.1725785 0.0715694 0.0045564 0.0782802 1.4179601 0.0175832 -0.0067957 0.0261064 1.1375616 52 K 1.1725785 0.0715694 -0.0045564 0.0782802 1.4179601 -0.0175832 0.0067957 -0.0261064 1.1375616 53 K 1.1725785 -0.0715694 0.0045564 -0.0782802 1.4179601 -0.0175832 -0.0067957 -0.0261064 1.1375616 54 K 1.3810412 -0.1016119 -0.0015906 -0.0984225 1.2279729 -0.0949921 -0.0047467 -0.0579598 1.1379559 55 K 1.3810412 -0.1016119 0.0015906 -0.0984225 1.2279729 0.0949921 0.0047467 0.0579598 1.1379559 56 K 1.3810412 0.1016119 -0.0015906 0.0984225 1.2279729 0.0949921 -0.0047467 0.0579598 1.1379559 57 Ge 4.4822691 0.0578791 0.6600179 -0.4621383 3.6087801 0.2082947 0.2735943 0.1119798 4.4264278 58 Ge 4.4822691 0.0578791 -0.6600179 -0.4621383 3.6087801 -0.2082947 -0.2735943 -0.1119798 4.4264278 59 Ge 4.4822691 -0.0578791 0.6600179 0.4621383 3.6087801 -0.2082947 0.2735943 -0.1119798 4.4264278 60 Ge 4.4822691 -0.0578791 -0.6600179 0.4621383 3.6087801 0.2082947 -0.2735943 0.1119798 4.4264278 61 Ge 3.6479247 -0.0150975 0.0009220 0.0271223 4.5389399 -0.7336855 -0.0559269 -0.3919326 4.3730488 62 Ge 3.6479247 -0.0150975 -0.0009220 0.0271223 4.5389399 0.7336855 0.0559269 0.3919326 4.3730488 63 Ge 3.6479247 0.0150975 0.0009220 -0.0271223 4.5389399 0.7336855 -0.0559269 0.3919326 4.3730488 64 Ge 3.6479247 0.0150975 -0.0009220 -0.0271223 4.5389399 -0.7336855 0.0559269 -0.3919326 4.3730488 ---------------------------------------------------------------------------- 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: 384/384 Permutation basis: 37056/37056 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 9360 Number of blocks in projector: 9360 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: 2048 Use submatrix version of eigh solver. (1) Block: 500 / 2048 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 220 eigenvectors found. (2) Complementary block size: 62 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1000 / 2048 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1500 / 2048 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 2048 / 2048 (2) Block: 250 / 548 (2) 222 eigenvectors found. (2) Block: 548 / 548 (2) 278 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 520 eigenvectors found. (1) Complementary block size: 108 (1) Compute compressed projector. (1) Use standard solver. (1) 76 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 2048 Use submatrix version of eigh solver. (1) Block: 500 / 2048 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 62 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1000 / 2048 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1500 / 2048 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 2048 / 2048 (2) Block: 250 / 548 (2) 232 eigenvectors found. (2) Block: 548 / 548 (2) 271 eigenvectors found. (2) Complementary block size: 45 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 520 eigenvectors found. (1) Complementary block size: 114 (1) Compute compressed projector. (1) Use standard solver. (1) 82 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 2048 Use submatrix version of eigh solver. (1) Block: 500 / 2048 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 51 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1000 / 2048 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 62 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1500 / 2048 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 2048 / 2048 (2) Block: 250 / 548 (2) 230 eigenvectors found. (2) Block: 548 / 548 (2) 282 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 528 eigenvectors found. (1) Complementary block size: 110 (1) Compute compressed projector. (1) Use standard solver. (1) 78 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 1072 Use submatrix version of eigh solver. (1) Block: 500 / 1072 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1072 / 1072 (2) Block: 250 / 572 (2) 237 eigenvectors found. (2) Block: 500 / 572 (2) 240 eigenvectors found. (2) Block: 572 / 572 (2) 67 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 559 eigenvectors found. (1) Complementary block size: 29 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 1072 Use submatrix version of eigh solver. (1) Block: 500 / 1072 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1072 / 1072 (2) Block: 250 / 572 (2) 237 eigenvectors found. (2) Block: 500 / 572 (2) 240 eigenvectors found. (2) Block: 572 / 572 (2) 67 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 559 eigenvectors found. (1) Complementary block size: 29 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 1072 Use submatrix version of eigh solver. (1) Block: 500 / 1072 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1072 / 1072 (2) Block: 250 / 572 (2) 237 eigenvectors found. (2) Block: 500 / 572 (2) 240 eigenvectors found. (2) Block: 572 / 572 (2) 67 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 559 eigenvectors found. (1) Complementary block size: 29 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. Tree of FC basis block matrices: - (9360, 9216), data: False |-- (1072, 1056), data: False |-- (1072, 13), data: (1072, 29) @ (29, 13) |-- (572, 559), data: False |-- (572, 15), data: (572, 28) @ (28, 15) |-- (72, 67), data: True |-- (250, 240), data: True |-- (250, 237), data: True |-- (500, 484), data: False |-- (500, 15), data: (500, 31) @ (31, 15) |-- (250, 235), data: True |-- (250, 234), data: True |-- (1072, 1056), data: False |-- (1072, 13), data: (1072, 29) @ (29, 13) |-- (572, 559), data: False |-- (572, 15), data: (572, 28) @ (28, 15) |-- (72, 67), data: True |-- (250, 240), data: True |-- (250, 237), data: True |-- (500, 484), data: False |-- (500, 15), data: (500, 31) @ (31, 15) |-- (250, 235), data: True |-- (250, 234), data: True |-- (1072, 1056), data: False |-- (1072, 13), data: (1072, 29) @ (29, 13) |-- (572, 559), data: False |-- (572, 15), data: (572, 28) @ (28, 15) |-- (72, 67), data: True |-- (250, 240), data: True |-- (250, 237), data: True |-- (500, 484), data: False |-- (500, 15), data: (500, 31) @ (31, 15) |-- (250, 235), data: True |-- (250, 234), data: True |-- (2048, 2016), data: False |-- (2048, 78), data: (2048, 110) @ (110, 78) |-- (548, 528), data: False |-- (548, 16), data: (548, 36) @ (36, 16) |-- (298, 282), data: True |-- (250, 230), data: True |-- (500, 470), data: False |-- (500, 26), data: (500, 56) @ (56, 26) |-- (250, 224), data: True |-- (250, 220), data: True |-- (500, 468), data: False |-- (500, 30), data: (500, 62) @ (62, 30) |-- (250, 218), data: True |-- (250, 220), data: True |-- (500, 472), data: False |-- (500, 23), data: (500, 51) @ (51, 23) |-- (250, 227), data: True |-- (250, 222), data: True |-- (2048, 2016), data: False |-- (2048, 82), data: (2048, 114) @ (114, 82) |-- (548, 520), data: False |-- (548, 17), data: (548, 45) @ (45, 17) |-- (298, 271), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 20), data: (500, 44) @ (44, 20) |-- (250, 230), data: True |-- (250, 226), data: True |-- (500, 470), data: False |-- (500, 26), data: (500, 56) @ (56, 26) |-- (250, 224), data: True |-- (250, 220), data: True |-- (500, 468), data: False |-- (500, 30), data: (500, 62) @ (62, 30) |-- (250, 218), data: True |-- (250, 220), data: True |-- (2048, 2016), data: False |-- (2048, 76), data: (2048, 108) @ (108, 76) |-- (548, 520), data: False |-- (548, 20), data: (548, 48) @ (48, 20) |-- (298, 278), data: True |-- (250, 222), data: True |-- (500, 480), data: False |-- (500, 16), data: (500, 36) @ (36, 16) |-- (250, 234), data: True |-- (250, 230), data: True |-- (500, 472), data: False |-- (500, 26), data: (500, 54) @ (54, 26) |-- (250, 224), data: True |-- (250, 222), data: True |-- (500, 468), data: False |-- (500, 30), data: (500, 62) @ (62, 30) |-- (250, 220), data: True |-- (250, 218), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.009 Solver_block: 100 / 1920 - Time: 4.326 Solver_block: 200 / 1920 - Time: 4.247 Solver_block: 300 / 1920 - Time: 4.405 Solver_block: 400 / 1920 - Time: 4.239 Solver_block: 500 / 1920 - Time: 4.275 Solver_block: 600 / 1920 - Time: 4.177 Solver_block: 700 / 1920 - Time: 4.399 Solver_block: 800 / 1920 - Time: 4.206 Solver_block: 900 / 1920 - Time: 4.218 Solver_block: 1000 / 1920 - Time: 4.343 Solver_block: 1100 / 1920 - Time: 4.184 Solver_block: 1200 / 1920 - Time: 4.210 Solver_block: 1300 / 1920 - Time: 4.243 Solver_block: 1400 / 1920 - Time: 4.219 Solver_block: 1500 / 1920 - Time: 4.337 Solver_block: 1600 / 1920 - Time: 4.241 Solver_block: 1700 / 1920 - Time: 4.230 Solver_block: 1800 / 1920 - Time: 4.145 Solver_block: 1900 / 1920 - Time: 4.238 Solver_block: 1920 / 1920 - Time: 1.261 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 84.348 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 384/384 Permutation basis: 37056/37056 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 9360 Number of blocks in projector: 9360 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: 2048 Use submatrix version of eigh solver. (1) Block: 500 / 2048 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 220 eigenvectors found. (2) Complementary block size: 62 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1000 / 2048 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1500 / 2048 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 2048 / 2048 (2) Block: 250 / 548 (2) 222 eigenvectors found. (2) Block: 548 / 548 (2) 278 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 520 eigenvectors found. (1) Complementary block size: 108 (1) Compute compressed projector. (1) Use standard solver. (1) 76 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 2048 Use submatrix version of eigh solver. (1) Block: 500 / 2048 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 62 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1000 / 2048 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1500 / 2048 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 2048 / 2048 (2) Block: 250 / 548 (2) 232 eigenvectors found. (2) Block: 548 / 548 (2) 271 eigenvectors found. (2) Complementary block size: 45 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 520 eigenvectors found. (1) Complementary block size: 114 (1) Compute compressed projector. (1) Use standard solver. (1) 82 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 2048 Use submatrix version of eigh solver. (1) Block: 500 / 2048 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 51 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1000 / 2048 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 62 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1500 / 2048 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 2048 / 2048 (2) Block: 250 / 548 (2) 230 eigenvectors found. (2) Block: 548 / 548 (2) 282 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 528 eigenvectors found. (1) Complementary block size: 110 (1) Compute compressed projector. (1) Use standard solver. (1) 78 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 1072 Use submatrix version of eigh solver. (1) Block: 500 / 1072 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1072 / 1072 (2) Block: 250 / 572 (2) 237 eigenvectors found. (2) Block: 500 / 572 (2) 240 eigenvectors found. (2) Block: 572 / 572 (2) 67 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 559 eigenvectors found. (1) Complementary block size: 29 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 1072 Use submatrix version of eigh solver. (1) Block: 500 / 1072 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1072 / 1072 (2) Block: 250 / 572 (2) 237 eigenvectors found. (2) Block: 500 / 572 (2) 240 eigenvectors found. (2) Block: 572 / 572 (2) 67 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 559 eigenvectors found. (1) Complementary block size: 29 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 1072 Use submatrix version of eigh solver. (1) Block: 500 / 1072 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1072 / 1072 (2) Block: 250 / 572 (2) 237 eigenvectors found. (2) Block: 500 / 572 (2) 240 eigenvectors found. (2) Block: 572 / 572 (2) 67 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 559 eigenvectors found. (1) Complementary block size: 29 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. Tree of FC basis block matrices: - (9360, 9216), data: False |-- (1072, 1056), data: False |-- (1072, 13), data: (1072, 29) @ (29, 13) |-- (572, 559), data: False |-- (572, 15), data: (572, 28) @ (28, 15) |-- (72, 67), data: True |-- (250, 240), data: True |-- (250, 237), data: True |-- (500, 484), data: False |-- (500, 15), data: (500, 31) @ (31, 15) |-- (250, 235), data: True |-- (250, 234), data: True |-- (1072, 1056), data: False |-- (1072, 13), data: (1072, 29) @ (29, 13) |-- (572, 559), data: False |-- (572, 15), data: (572, 28) @ (28, 15) |-- (72, 67), data: True |-- (250, 240), data: True |-- (250, 237), data: True |-- (500, 484), data: False |-- (500, 15), data: (500, 31) @ (31, 15) |-- (250, 235), data: True |-- (250, 234), data: True |-- (1072, 1056), data: False |-- (1072, 13), data: (1072, 29) @ (29, 13) |-- (572, 559), data: False |-- (572, 15), data: (572, 28) @ (28, 15) |-- (72, 67), data: True |-- (250, 240), data: True |-- (250, 237), data: True |-- (500, 484), data: False |-- (500, 15), data: (500, 31) @ (31, 15) |-- (250, 235), data: True |-- (250, 234), data: True |-- (2048, 2016), data: False |-- (2048, 78), data: (2048, 110) @ (110, 78) |-- (548, 528), data: False |-- (548, 16), data: (548, 36) @ (36, 16) |-- (298, 282), data: True |-- (250, 230), data: True |-- (500, 470), data: False |-- (500, 26), data: (500, 56) @ (56, 26) |-- (250, 224), data: True |-- (250, 220), data: True |-- (500, 468), data: False |-- (500, 30), data: (500, 62) @ (62, 30) |-- (250, 218), data: True |-- (250, 220), data: True |-- (500, 472), data: False |-- (500, 23), data: (500, 51) @ (51, 23) |-- (250, 227), data: True |-- (250, 222), data: True |-- (2048, 2016), data: False |-- (2048, 82), data: (2048, 114) @ (114, 82) |-- (548, 520), data: False |-- (548, 17), data: (548, 45) @ (45, 17) |-- (298, 271), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 20), data: (500, 44) @ (44, 20) |-- (250, 230), data: True |-- (250, 226), data: True |-- (500, 470), data: False |-- (500, 26), data: (500, 56) @ (56, 26) |-- (250, 224), data: True |-- (250, 220), data: True |-- (500, 468), data: False |-- (500, 30), data: (500, 62) @ (62, 30) |-- (250, 218), data: True |-- (250, 220), data: True |-- (2048, 2016), data: False |-- (2048, 76), data: (2048, 108) @ (108, 76) |-- (548, 520), data: False |-- (548, 20), data: (548, 48) @ (48, 20) |-- (298, 278), data: True |-- (250, 222), data: True |-- (500, 480), data: False |-- (500, 16), data: (500, 36) @ (36, 16) |-- (250, 234), data: True |-- (250, 230), data: True |-- (500, 472), data: False |-- (500, 26), data: (500, 54) @ (54, 26) |-- (250, 224), data: True |-- (250, 222), data: True |-- (500, 468), data: False |-- (500, 30), data: (500, 62) @ (62, 30) |-- (250, 220), data: True |-- (250, 218), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 00:34:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:34:47]------------------------- Compiled with OpenMP support (max 48 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): [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pna2_1 (33) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 12.681446610000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.337062409999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.092987129999997 Atomic positions (fractional): 1 O 0.24270547913139 0.96006714342121 0.88856643045514 15.999 2 O 0.75729452086861 0.03993285657879 0.38856643045514 15.999 3 O 0.74270547913139 0.53993285657879 0.88856643045514 15.999 4 O 0.25729452086861 0.46006714342121 0.38856643045514 15.999 5 O 0.24578285004938 0.04046248390443 0.12296559246120 15.999 6 O 0.75421714995061 0.95953751609557 0.62296559246120 15.999 7 O 0.74578285004939 0.45953751609557 0.12296559246120 15.999 8 O 0.25421714995062 0.54046248390443 0.62296559246120 15.999 9 O 0.39058767824802 0.19579907022408 0.97204735653766 15.999 10 O 0.60941232175198 0.80420092977592 0.47204735653766 15.999 11 O 0.89058767824802 0.30420092977592 0.97204735653766 15.999 12 O 0.10941232175198 0.69579907022408 0.47204735653766 15.999 13 O 0.39159250537498 0.81133926565092 0.03320607549801 15.999 14 O 0.60840749462502 0.18866073434908 0.53320607549801 15.999 15 O 0.89159250537498 0.68866073434908 0.03320607549801 15.999 16 O 0.90118832539933 0.68766531681036 0.72819012067172 15.999 17 O 0.10840749462502 0.31133926565092 0.53320607549801 15.999 18 O 0.72363851621849 0.53253017841917 0.63596528485372 15.999 19 O 0.77636148378151 0.03253017841917 0.13596528485372 15.999 20 O 0.22363851621849 0.96746982158083 0.63596528485372 15.999 21 O 0.26906822215477 0.54640837396448 0.87821418838773 15.999 22 O 0.73093177784523 0.45359162603552 0.37821418838773 15.999 23 O 0.76906822215477 0.95359162603552 0.87821418838773 15.999 24 O 0.23093177784523 0.04640837396448 0.37821418838773 15.999 25 O 0.48593929495947 0.48324891504363 0.13145235287112 15.999 26 O 0.51406070504053 0.51675108495637 0.63145235287112 15.999 27 O 0.98593929495947 0.01675108495637 0.13145235287112 15.999 28 O 0.01406070504053 0.98324891504363 0.63145235287112 15.999 29 O 0.51794544012855 0.47534402351043 0.37519037451701 15.999 30 O 0.48205455987145 0.52465597648957 0.87519037451701 15.999 31 O 0.01794544012855 0.02465597648957 0.37519037451701 15.999 32 O 0.98205455987145 0.97534402351043 0.87519037451701 15.999 33 O 0.40474682309409 0.19314501784947 0.27488532958603 15.999 34 O 0.59525317690591 0.80685498215053 0.77488532958603 15.999 35 O 0.90474682309409 0.30685498215053 0.27488532958603 15.999 36 O 0.09525317690591 0.69314501784947 0.77488532958603 15.999 37 O 0.59881167460067 0.18766531681036 0.22819012067172 15.999 38 O 0.40118832539933 0.81233468318964 0.72819012067172 15.999 39 O 0.09881167460067 0.31233468318964 0.22819012067172 15.999 40 O 0.27636148378151 0.46746982158083 0.13596528485372 15.999 41 P 0.99729348208919 0.83318127921629 0.75095045926795 30.974 42 P 0.50270651791081 0.33318127921629 0.25095045926795 30.974 43 P 0.49729348208919 0.66681872078371 0.75095045926795 30.974 44 P 0.00270651791081 0.16681872078371 0.25095045926795 30.974 45 P 0.17956237312935 0.50347013917759 0.50348245724888 30.974 46 P 0.82043762687065 0.49652986082241 0.00348245724888 30.974 47 P 0.67956237312935 0.99652986082241 0.50348245724888 30.974 48 P 0.32043762687065 0.00347013917759 0.00348245724888 30.974 49 K 0.39118437032172 0.18935997106954 0.56621260971653 39.098 50 K 0.61916498318544 0.22162498378054 0.81249269835196 39.098 51 K 0.88083501681456 0.72162498378054 0.31249269835196 39.098 52 K 0.11916498318544 0.27837501621945 0.81249269835196 39.098 53 K 0.38083501681456 0.77837501621946 0.31249269835196 39.098 54 K 0.10881562967828 0.68935997106954 0.06621260971653 39.098 55 K 0.89118437032172 0.31064002893046 0.56621260971653 39.098 56 K 0.60881562967828 0.81064002893046 0.06621260971653 39.098 57 Ge 0.25084698404095 0.75386776918654 0.75277569073609 72.640 58 Ge 0.74915301595905 0.24613223081346 0.25277569073609 72.640 59 Ge 0.75084698404095 0.74613223081346 0.75277569073609 72.640 60 Ge 0.24915301595905 0.25386776918654 0.25277569073609 72.640 61 Ge 0.12979024824862 0.99757003047608 0.50139300883926 72.640 62 Ge 0.87020975175138 0.00242996952392 0.00139300883926 72.640 63 Ge 0.62979024824862 0.50242996952392 0.50139300883926 72.640 64 Ge 0.37020975175138 0.49757003047609 0.00139300883926 72.640 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.681446610000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.674124819999998 0.000000000000000 c 0.000000000000000 0.000000000000000 10.092987129999997 Atomic positions (fractional): 1 O 0.24270547913139 0.48003357171061 0.88856643045514 15.999 > 1 2 O 0.24270547913139 0.98003357171061 0.88856643045514 15.999 > 1 3 O 0.75729452086861 0.01996642828939 0.38856643045514 15.999 > 3 4 O 0.75729452086861 0.51996642828939 0.38856643045514 15.999 > 3 5 O 0.74270547913139 0.26996642828939 0.88856643045514 15.999 > 5 6 O 0.74270547913139 0.76996642828939 0.88856643045514 15.999 > 5 7 O 0.25729452086861 0.23003357171061 0.38856643045514 15.999 > 7 8 O 0.25729452086861 0.73003357171061 0.38856643045514 15.999 > 7 9 O 0.24578285004938 0.02023124195221 0.12296559246120 15.999 > 9 10 O 0.24578285004938 0.52023124195222 0.12296559246120 15.999 > 9 11 O 0.75421714995061 0.47976875804779 0.62296559246120 15.999 > 11 12 O 0.75421714995061 0.97976875804778 0.62296559246120 15.999 > 11 13 O 0.74578285004939 0.22976875804778 0.12296559246120 15.999 > 13 14 O 0.74578285004939 0.72976875804778 0.12296559246120 15.999 > 13 15 O 0.25421714995062 0.27023124195221 0.62296559246120 15.999 > 15 16 O 0.25421714995062 0.77023124195222 0.62296559246120 15.999 > 15 17 O 0.39058767824802 0.09789953511204 0.97204735653766 15.999 > 17 18 O 0.39058767824802 0.59789953511204 0.97204735653766 15.999 > 17 19 O 0.60941232175198 0.40210046488796 0.47204735653766 15.999 > 19 20 O 0.60941232175198 0.90210046488796 0.47204735653766 15.999 > 19 21 O 0.89058767824802 0.15210046488796 0.97204735653766 15.999 > 21 22 O 0.89058767824802 0.65210046488796 0.97204735653766 15.999 > 21 23 O 0.10941232175198 0.34789953511204 0.47204735653766 15.999 > 23 24 O 0.10941232175198 0.84789953511204 0.47204735653766 15.999 > 23 25 O 0.39159250537498 0.40566963282546 0.03320607549801 15.999 > 25 26 O 0.39159250537498 0.90566963282546 0.03320607549801 15.999 > 25 27 O 0.60840749462502 0.09433036717454 0.53320607549801 15.999 > 27 28 O 0.60840749462502 0.59433036717454 0.53320607549801 15.999 > 27 29 O 0.89159250537498 0.34433036717454 0.03320607549801 15.999 > 29 30 O 0.89159250537498 0.84433036717454 0.03320607549801 15.999 > 29 31 O 0.90118832539933 0.34383265840518 0.72819012067172 15.999 > 31 32 O 0.90118832539933 0.84383265840518 0.72819012067172 15.999 > 31 33 O 0.10840749462502 0.15566963282546 0.53320607549801 15.999 > 33 34 O 0.10840749462502 0.65566963282546 0.53320607549801 15.999 > 33 35 O 0.72363851621849 0.26626508920958 0.63596528485372 15.999 > 35 36 O 0.72363851621849 0.76626508920958 0.63596528485372 15.999 > 35 37 O 0.77636148378151 0.01626508920958 0.13596528485372 15.999 > 37 38 O 0.77636148378151 0.51626508920958 0.13596528485372 15.999 > 37 39 O 0.22363851621849 0.48373491079042 0.63596528485372 15.999 > 39 40 O 0.22363851621849 0.98373491079042 0.63596528485372 15.999 > 39 41 O 0.26906822215477 0.27320418698224 0.87821418838773 15.999 > 41 42 O 0.26906822215477 0.77320418698224 0.87821418838773 15.999 > 41 43 O 0.73093177784523 0.22679581301776 0.37821418838773 15.999 > 43 44 O 0.73093177784523 0.72679581301776 0.37821418838773 15.999 > 43 45 O 0.76906822215477 0.47679581301776 0.87821418838773 15.999 > 45 46 O 0.76906822215477 0.97679581301776 0.87821418838773 15.999 > 45 47 O 0.23093177784523 0.02320418698224 0.37821418838773 15.999 > 47 48 O 0.23093177784523 0.52320418698224 0.37821418838773 15.999 > 47 49 O 0.48593929495947 0.24162445752181 0.13145235287112 15.999 > 49 50 O 0.48593929495947 0.74162445752181 0.13145235287112 15.999 > 49 51 O 0.51406070504053 0.25837554247819 0.63145235287112 15.999 > 51 52 O 0.51406070504053 0.75837554247819 0.63145235287112 15.999 > 51 53 O 0.98593929495947 0.00837554247819 0.13145235287112 15.999 > 53 54 O 0.98593929495947 0.50837554247819 0.13145235287112 15.999 > 53 55 O 0.01406070504053 0.49162445752181 0.63145235287112 15.999 > 55 56 O 0.01406070504053 0.99162445752181 0.63145235287112 15.999 > 55 57 O 0.51794544012855 0.23767201175522 0.37519037451701 15.999 > 57 58 O 0.51794544012855 0.73767201175522 0.37519037451701 15.999 > 57 59 O 0.48205455987145 0.26232798824478 0.87519037451701 15.999 > 59 60 O 0.48205455987145 0.76232798824478 0.87519037451701 15.999 > 59 61 O 0.01794544012855 0.01232798824478 0.37519037451701 15.999 > 61 62 O 0.01794544012855 0.51232798824478 0.37519037451701 15.999 > 61 63 O 0.98205455987145 0.48767201175522 0.87519037451701 15.999 > 63 64 O 0.98205455987145 0.98767201175522 0.87519037451701 15.999 > 63 65 O 0.40474682309409 0.09657250892474 0.27488532958603 15.999 > 65 66 O 0.40474682309409 0.59657250892474 0.27488532958603 15.999 > 65 67 O 0.59525317690591 0.40342749107526 0.77488532958603 15.999 > 67 68 O 0.59525317690591 0.90342749107526 0.77488532958603 15.999 > 67 69 O 0.90474682309409 0.15342749107526 0.27488532958603 15.999 > 69 70 O 0.90474682309409 0.65342749107526 0.27488532958603 15.999 > 69 71 O 0.09525317690591 0.34657250892474 0.77488532958603 15.999 > 71 72 O 0.09525317690591 0.84657250892474 0.77488532958603 15.999 > 71 73 O 0.59881167460067 0.09383265840518 0.22819012067172 15.999 > 73 74 O 0.59881167460067 0.59383265840518 0.22819012067172 15.999 > 73 75 O 0.40118832539933 0.40616734159482 0.72819012067172 15.999 > 75 76 O 0.40118832539933 0.90616734159482 0.72819012067172 15.999 > 75 77 O 0.09881167460067 0.15616734159482 0.22819012067172 15.999 > 77 78 O 0.09881167460067 0.65616734159482 0.22819012067172 15.999 > 77 79 O 0.27636148378151 0.23373491079042 0.13596528485372 15.999 > 79 80 O 0.27636148378151 0.73373491079042 0.13596528485372 15.999 > 79 81 P 0.99729348208919 0.41659063960815 0.75095045926795 30.974 > 81 82 P 0.99729348208919 0.91659063960815 0.75095045926795 30.974 > 81 83 P 0.50270651791081 0.16659063960815 0.25095045926795 30.974 > 83 84 P 0.50270651791081 0.66659063960815 0.25095045926795 30.974 > 83 85 P 0.49729348208919 0.33340936039185 0.75095045926795 30.974 > 85 86 P 0.49729348208919 0.83340936039185 0.75095045926795 30.974 > 85 87 P 0.00270651791081 0.08340936039185 0.25095045926795 30.974 > 87 88 P 0.00270651791081 0.58340936039185 0.25095045926795 30.974 > 87 89 P 0.17956237312935 0.25173506958880 0.50348245724888 30.974 > 89 90 P 0.17956237312935 0.75173506958880 0.50348245724888 30.974 > 89 91 P 0.82043762687065 0.24826493041120 0.00348245724888 30.974 > 91 92 P 0.82043762687065 0.74826493041120 0.00348245724888 30.974 > 91 93 P 0.67956237312935 0.49826493041120 0.50348245724888 30.974 > 93 94 P 0.67956237312935 0.99826493041120 0.50348245724888 30.974 > 93 95 P 0.32043762687065 0.00173506958880 0.00348245724888 30.974 > 95 96 P 0.32043762687065 0.50173506958880 0.00348245724888 30.974 > 95 97 K 0.39118437032172 0.09467998553477 0.56621260971653 39.098 > 97 98 K 0.39118437032172 0.59467998553477 0.56621260971653 39.098 > 97 99 K 0.61916498318544 0.11081249189027 0.81249269835196 39.098 > 99 100 K 0.61916498318544 0.61081249189027 0.81249269835196 39.098 > 99 101 K 0.88083501681456 0.36081249189027 0.31249269835196 39.098 > 101 102 K 0.88083501681456 0.86081249189027 0.31249269835196 39.098 > 101 103 K 0.11916498318544 0.13918750810973 0.81249269835196 39.098 > 103 104 K 0.11916498318544 0.63918750810973 0.81249269835196 39.098 > 103 105 K 0.38083501681456 0.38918750810973 0.31249269835196 39.098 > 105 106 K 0.38083501681456 0.88918750810973 0.31249269835196 39.098 > 105 107 K 0.10881562967828 0.34467998553477 0.06621260971653 39.098 > 107 108 K 0.10881562967828 0.84467998553477 0.06621260971653 39.098 > 107 109 K 0.89118437032172 0.15532001446523 0.56621260971653 39.098 > 109 110 K 0.89118437032172 0.65532001446523 0.56621260971653 39.098 > 109 111 K 0.60881562967828 0.40532001446523 0.06621260971653 39.098 > 111 112 K 0.60881562967828 0.90532001446523 0.06621260971653 39.098 > 111 113 Ge 0.25084698404095 0.37693388459327 0.75277569073609 72.640 > 113 114 Ge 0.25084698404095 0.87693388459327 0.75277569073609 72.640 > 113 115 Ge 0.74915301595905 0.12306611540673 0.25277569073609 72.640 > 115 116 Ge 0.74915301595905 0.62306611540673 0.25277569073609 72.640 > 115 117 Ge 0.75084698404095 0.37306611540673 0.75277569073609 72.640 > 117 118 Ge 0.75084698404095 0.87306611540673 0.75277569073609 72.640 > 117 119 Ge 0.24915301595905 0.12693388459327 0.25277569073609 72.640 > 119 120 Ge 0.24915301595905 0.62693388459327 0.25277569073609 72.640 > 119 121 Ge 0.12979024824862 0.49878501523804 0.50139300883926 72.640 > 121 122 Ge 0.12979024824862 0.99878501523804 0.50139300883926 72.640 > 121 123 Ge 0.87020975175138 0.00121498476196 0.00139300883926 72.640 > 123 124 Ge 0.87020975175138 0.50121498476196 0.00139300883926 72.640 > 123 125 Ge 0.62979024824862 0.25121498476196 0.50139300883926 72.640 > 125 126 Ge 0.62979024824862 0.75121498476196 0.50139300883926 72.640 > 125 127 Ge 0.37020975175138 0.24878501523804 0.00139300883926 72.640 > 127 128 Ge 0.37020975175138 0.74878501523804 0.00139300883926 72.640 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.9442599 0.0000000 0.0000000 0.0000000 2.9646626 0.0000000 0.0000000 0.0000000 3.0463629 -------------------------- Born effective charges -------------------------- 1 O -1.4193923 -0.0524558 -0.5419618 -0.1433879 -1.6241385 -0.7098741 -0.7442529 -0.5720798 -2.3438635 2 O -1.4193923 -0.0524558 0.5419618 -0.1433879 -1.6241385 0.7098741 0.7442529 0.5720798 -2.3438635 3 O -1.4193923 0.0524558 -0.5419618 0.1433879 -1.6241385 0.7098741 -0.7442529 0.5720798 -2.3438635 4 O -1.4193923 0.0524558 0.5419618 0.1433879 -1.6241385 -0.7098741 0.7442529 -0.5720798 -2.3438635 5 O -1.3704189 0.0557413 0.4938756 0.1443307 -1.6273846 -0.7597593 0.6568381 -0.6252663 -2.3663516 6 O -1.3704189 0.0557413 -0.4938756 0.1443307 -1.6273846 0.7597593 -0.6568381 0.6252663 -2.3663516 7 O -1.3704189 -0.0557413 0.4938756 -0.1443307 -1.6273846 0.7597593 0.6568381 0.6252663 -2.3663516 8 O -1.3704189 -0.0557413 -0.4938756 -0.1443307 -1.6273846 -0.7597593 -0.6568381 -0.6252663 -2.3663516 9 O -1.2355982 -0.4180496 0.1212022 -0.5602512 -2.8618326 0.0753642 0.1089747 -0.1178894 -1.1624699 10 O -1.2355982 -0.4180496 -0.1212022 -0.5602512 -2.8618326 -0.0753642 -0.1089747 0.1178894 -1.1624699 11 O -1.2355982 0.4180496 0.1212022 0.5602512 -2.8618326 -0.0753642 0.1089747 0.1178894 -1.1624699 12 O -1.2355982 0.4180496 -0.1212022 0.5602512 -2.8618326 0.0753642 -0.1089747 -0.1178894 -1.1624699 13 O -1.3495775 0.4204936 -0.1314149 0.5724814 -2.7665211 0.0727503 -0.1291031 -0.1297525 -1.2539913 14 O -1.3495775 0.4204936 0.1314149 0.5724814 -2.7665211 -0.0727503 0.1291031 0.1297525 -1.2539913 15 O -1.3495775 -0.4204936 -0.1314149 -0.5724814 -2.7665211 -0.0727503 -0.1291031 0.1297525 -1.2539913 16 O -2.8502140 -0.5762785 0.0240620 -0.4462096 -1.3089698 -0.1244366 0.1079562 -0.1278704 -1.1700486 17 O -1.3495775 -0.4204936 0.1314149 -0.5724814 -2.7665211 0.0727503 0.1291031 -0.1297525 -1.2539913 18 O -1.5857343 -0.0799058 -0.3935201 -0.1602677 -1.7067512 -0.5042654 -0.3929279 -0.4999789 -2.0497528 19 O -1.5857343 0.0799058 0.3935201 0.1602677 -1.7067512 -0.5042654 0.3929279 -0.4999789 -2.0497528 20 O -1.5857343 0.0799058 -0.3935201 0.1602677 -1.7067512 0.5042654 -0.3929279 0.4999789 -2.0497528 21 O -1.6511336 0.0905061 -0.4407921 0.1459842 -1.6706555 0.4835623 -0.4637492 0.4676131 -2.0471970 22 O -1.6511336 0.0905061 0.4407921 0.1459842 -1.6706555 -0.4835623 0.4637492 -0.4676131 -2.0471970 23 O -1.6511336 -0.0905061 -0.4407921 -0.1459842 -1.6706555 -0.4835623 -0.4637492 -0.4676131 -2.0471970 24 O -1.6511336 -0.0905061 0.4407921 -0.1459842 -1.6706555 0.4835623 0.4637492 0.4676131 -2.0471970 25 O -1.6836400 0.2477040 -0.8040971 0.0452038 -1.4597251 0.5733214 -0.5094049 0.7613347 -2.2281167 26 O -1.6836400 0.2477040 0.8040971 0.0452038 -1.4597251 -0.5733214 0.5094049 -0.7613347 -2.2281167 27 O -1.6836400 -0.2477040 -0.8040971 -0.0452038 -1.4597251 -0.5733214 -0.5094049 -0.7613347 -2.2281167 28 O -1.6836400 -0.2477040 0.8040971 -0.0452038 -1.4597251 0.5733214 0.5094049 0.7613347 -2.2281167 29 O -1.7034912 -0.2285810 -0.8933848 -0.0137499 -1.3867841 -0.5052851 -0.5414839 -0.6946479 -2.3223357 30 O -1.7034912 -0.2285810 0.8933848 -0.0137499 -1.3867841 0.5052851 0.5414839 0.6946479 -2.3223357 31 O -1.7034912 0.2285810 -0.8933848 0.0137499 -1.3867841 0.5052851 -0.5414839 0.6946479 -2.3223357 32 O -1.7034912 0.2285810 0.8933848 0.0137499 -1.3867841 -0.5052851 0.5414839 -0.6946479 -2.3223357 33 O -2.7974205 -0.5770614 0.0173034 -0.4558430 -1.3930433 0.1265753 -0.1152283 0.1123681 -1.2327896 34 O -2.7974205 -0.5770614 -0.0173034 -0.4558430 -1.3930433 -0.1265753 0.1152283 -0.1123681 -1.2327896 35 O -2.7974205 0.5770614 0.0173034 0.4558430 -1.3930433 -0.1265753 -0.1152283 -0.1123681 -1.2327896 36 O -2.7974205 0.5770614 -0.0173034 0.4558430 -1.3930433 0.1265753 0.1152283 0.1123681 -1.2327896 37 O -2.8502140 0.5762785 -0.0240620 0.4462096 -1.3089698 -0.1244366 -0.1079562 -0.1278704 -1.1700486 38 O -2.8502140 0.5762785 0.0240620 0.4462096 -1.3089698 0.1244366 0.1079562 0.1278704 -1.1700486 39 O -2.8502140 -0.5762785 -0.0240620 -0.4462096 -1.3089698 0.1244366 -0.1079562 0.1278704 -1.1700486 40 O -1.5857343 -0.0799058 0.3935201 -0.1602677 -1.7067512 0.5042654 0.3929279 0.4999789 -2.0497528 41 P 4.0789773 0.0830099 -0.7825376 0.0212924 2.9216583 -0.0690084 -0.2896966 -0.0544164 3.5692723 42 P 4.0789773 -0.0830099 0.7825376 -0.0212924 2.9216583 -0.0690084 0.2896966 -0.0544164 3.5692723 43 P 4.0789773 -0.0830099 -0.7825376 -0.0212924 2.9216583 0.0690084 -0.2896966 0.0544164 3.5692723 44 P 4.0789773 0.0830099 0.7825376 0.0212924 2.9216583 0.0690084 0.2896966 0.0544164 3.5692723 45 P 2.8838295 -0.0166246 -0.0576821 -0.0463953 4.0904946 0.5330463 -0.0873795 0.3957019 3.5326505 46 P 2.8838295 -0.0166246 0.0576821 -0.0463953 4.0904946 -0.5330463 0.0873795 -0.3957019 3.5326505 47 P 2.8838295 0.0166246 -0.0576821 0.0463953 4.0904946 -0.5330463 -0.0873795 -0.3957019 3.5326505 48 P 2.8838295 0.0166246 0.0576821 0.0463953 4.0904946 0.5330463 0.0873795 0.3957019 3.5326505 49 K 1.3810412 0.1016119 0.0015906 0.0984225 1.2279729 -0.0949921 0.0047467 -0.0579598 1.1379559 50 K 1.1725785 -0.0715694 -0.0045564 -0.0782802 1.4179601 0.0175832 0.0067957 0.0261064 1.1375616 51 K 1.1725785 0.0715694 0.0045564 0.0782802 1.4179601 0.0175832 -0.0067957 0.0261064 1.1375616 52 K 1.1725785 0.0715694 -0.0045564 0.0782802 1.4179601 -0.0175832 0.0067957 -0.0261064 1.1375616 53 K 1.1725785 -0.0715694 0.0045564 -0.0782802 1.4179601 -0.0175832 -0.0067957 -0.0261064 1.1375616 54 K 1.3810412 -0.1016119 -0.0015906 -0.0984225 1.2279729 -0.0949921 -0.0047467 -0.0579598 1.1379559 55 K 1.3810412 -0.1016119 0.0015906 -0.0984225 1.2279729 0.0949921 0.0047467 0.0579598 1.1379559 56 K 1.3810412 0.1016119 -0.0015906 0.0984225 1.2279729 0.0949921 -0.0047467 0.0579598 1.1379559 57 Ge 4.4822691 0.0578791 0.6600179 -0.4621383 3.6087801 0.2082947 0.2735943 0.1119798 4.4264278 58 Ge 4.4822691 0.0578791 -0.6600179 -0.4621383 3.6087801 -0.2082947 -0.2735943 -0.1119798 4.4264278 59 Ge 4.4822691 -0.0578791 0.6600179 0.4621383 3.6087801 -0.2082947 0.2735943 -0.1119798 4.4264278 60 Ge 4.4822691 -0.0578791 -0.6600179 0.4621383 3.6087801 0.2082947 -0.2735943 0.1119798 4.4264278 61 Ge 3.6479247 -0.0150975 0.0009220 0.0271223 4.5389399 -0.7336855 -0.0559269 -0.3919326 4.3730488 62 Ge 3.6479247 -0.0150975 -0.0009220 0.0271223 4.5389399 0.7336855 0.0559269 0.3919326 4.3730488 63 Ge 3.6479247 0.0150975 0.0009220 -0.0271223 4.5389399 0.7336855 -0.0559269 0.3919326 4.3730488 64 Ge 3.6479247 0.0150975 -0.0009220 -0.0271223 4.5389399 -0.7336855 0.0559269 -0.3919326 4.3730488 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 31, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 35, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 89, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 99, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 121, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zy) 0.00000000 (zy) 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 00:36:30]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:36:30]------------------------- Compiled with OpenMP support (max 48 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): [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pna2_1 (33) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 12.681446610000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.337062409999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.092987129999997 Atomic positions (fractional): 1 O 0.24270547913139 0.96006714342121 0.88856643045514 15.999 2 O 0.75729452086861 0.03993285657879 0.38856643045514 15.999 3 O 0.74270547913139 0.53993285657879 0.88856643045514 15.999 4 O 0.25729452086861 0.46006714342121 0.38856643045514 15.999 5 O 0.24578285004938 0.04046248390443 0.12296559246120 15.999 6 O 0.75421714995061 0.95953751609557 0.62296559246120 15.999 7 O 0.74578285004939 0.45953751609557 0.12296559246120 15.999 8 O 0.25421714995062 0.54046248390443 0.62296559246120 15.999 9 O 0.39058767824802 0.19579907022408 0.97204735653766 15.999 10 O 0.60941232175198 0.80420092977592 0.47204735653766 15.999 11 O 0.89058767824802 0.30420092977592 0.97204735653766 15.999 12 O 0.10941232175198 0.69579907022408 0.47204735653766 15.999 13 O 0.39159250537498 0.81133926565092 0.03320607549801 15.999 14 O 0.60840749462502 0.18866073434908 0.53320607549801 15.999 15 O 0.89159250537498 0.68866073434908 0.03320607549801 15.999 16 O 0.90118832539933 0.68766531681036 0.72819012067172 15.999 17 O 0.10840749462502 0.31133926565092 0.53320607549801 15.999 18 O 0.72363851621849 0.53253017841917 0.63596528485372 15.999 19 O 0.77636148378151 0.03253017841917 0.13596528485372 15.999 20 O 0.22363851621849 0.96746982158083 0.63596528485372 15.999 21 O 0.26906822215477 0.54640837396448 0.87821418838773 15.999 22 O 0.73093177784523 0.45359162603552 0.37821418838773 15.999 23 O 0.76906822215477 0.95359162603552 0.87821418838773 15.999 24 O 0.23093177784523 0.04640837396448 0.37821418838773 15.999 25 O 0.48593929495947 0.48324891504363 0.13145235287112 15.999 26 O 0.51406070504053 0.51675108495637 0.63145235287112 15.999 27 O 0.98593929495947 0.01675108495637 0.13145235287112 15.999 28 O 0.01406070504053 0.98324891504363 0.63145235287112 15.999 29 O 0.51794544012855 0.47534402351043 0.37519037451701 15.999 30 O 0.48205455987145 0.52465597648957 0.87519037451701 15.999 31 O 0.01794544012855 0.02465597648957 0.37519037451701 15.999 32 O 0.98205455987145 0.97534402351043 0.87519037451701 15.999 33 O 0.40474682309409 0.19314501784947 0.27488532958603 15.999 34 O 0.59525317690591 0.80685498215053 0.77488532958603 15.999 35 O 0.90474682309409 0.30685498215053 0.27488532958603 15.999 36 O 0.09525317690591 0.69314501784947 0.77488532958603 15.999 37 O 0.59881167460067 0.18766531681036 0.22819012067172 15.999 38 O 0.40118832539933 0.81233468318964 0.72819012067172 15.999 39 O 0.09881167460067 0.31233468318964 0.22819012067172 15.999 40 O 0.27636148378151 0.46746982158083 0.13596528485372 15.999 41 P 0.99729348208919 0.83318127921629 0.75095045926795 30.974 42 P 0.50270651791081 0.33318127921629 0.25095045926795 30.974 43 P 0.49729348208919 0.66681872078371 0.75095045926795 30.974 44 P 0.00270651791081 0.16681872078371 0.25095045926795 30.974 45 P 0.17956237312935 0.50347013917759 0.50348245724888 30.974 46 P 0.82043762687065 0.49652986082241 0.00348245724888 30.974 47 P 0.67956237312935 0.99652986082241 0.50348245724888 30.974 48 P 0.32043762687065 0.00347013917759 0.00348245724888 30.974 49 K 0.39118437032172 0.18935997106954 0.56621260971653 39.098 50 K 0.61916498318544 0.22162498378054 0.81249269835196 39.098 51 K 0.88083501681456 0.72162498378054 0.31249269835196 39.098 52 K 0.11916498318544 0.27837501621945 0.81249269835196 39.098 53 K 0.38083501681456 0.77837501621946 0.31249269835196 39.098 54 K 0.10881562967828 0.68935997106954 0.06621260971653 39.098 55 K 0.89118437032172 0.31064002893046 0.56621260971653 39.098 56 K 0.60881562967828 0.81064002893046 0.06621260971653 39.098 57 Ge 0.25084698404095 0.75386776918654 0.75277569073609 72.640 58 Ge 0.74915301595905 0.24613223081346 0.25277569073609 72.640 59 Ge 0.75084698404095 0.74613223081346 0.75277569073609 72.640 60 Ge 0.24915301595905 0.25386776918654 0.25277569073609 72.640 61 Ge 0.12979024824862 0.99757003047608 0.50139300883926 72.640 62 Ge 0.87020975175138 0.00242996952392 0.00139300883926 72.640 63 Ge 0.62979024824862 0.50242996952392 0.50139300883926 72.640 64 Ge 0.37020975175138 0.49757003047609 0.00139300883926 72.640 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.681446610000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.674124819999998 0.000000000000000 c 0.000000000000000 0.000000000000000 10.092987129999997 Atomic positions (fractional): 1 O 0.24270547913139 0.48003357171061 0.88856643045514 15.999 > 1 2 O 0.24270547913139 0.98003357171061 0.88856643045514 15.999 > 1 3 O 0.75729452086861 0.01996642828939 0.38856643045514 15.999 > 3 4 O 0.75729452086861 0.51996642828939 0.38856643045514 15.999 > 3 5 O 0.74270547913139 0.26996642828939 0.88856643045514 15.999 > 5 6 O 0.74270547913139 0.76996642828939 0.88856643045514 15.999 > 5 7 O 0.25729452086861 0.23003357171061 0.38856643045514 15.999 > 7 8 O 0.25729452086861 0.73003357171061 0.38856643045514 15.999 > 7 9 O 0.24578285004938 0.02023124195221 0.12296559246120 15.999 > 9 10 O 0.24578285004938 0.52023124195222 0.12296559246120 15.999 > 9 11 O 0.75421714995061 0.47976875804779 0.62296559246120 15.999 > 11 12 O 0.75421714995061 0.97976875804778 0.62296559246120 15.999 > 11 13 O 0.74578285004939 0.22976875804778 0.12296559246120 15.999 > 13 14 O 0.74578285004939 0.72976875804778 0.12296559246120 15.999 > 13 15 O 0.25421714995062 0.27023124195221 0.62296559246120 15.999 > 15 16 O 0.25421714995062 0.77023124195222 0.62296559246120 15.999 > 15 17 O 0.39058767824802 0.09789953511204 0.97204735653766 15.999 > 17 18 O 0.39058767824802 0.59789953511204 0.97204735653766 15.999 > 17 19 O 0.60941232175198 0.40210046488796 0.47204735653766 15.999 > 19 20 O 0.60941232175198 0.90210046488796 0.47204735653766 15.999 > 19 21 O 0.89058767824802 0.15210046488796 0.97204735653766 15.999 > 21 22 O 0.89058767824802 0.65210046488796 0.97204735653766 15.999 > 21 23 O 0.10941232175198 0.34789953511204 0.47204735653766 15.999 > 23 24 O 0.10941232175198 0.84789953511204 0.47204735653766 15.999 > 23 25 O 0.39159250537498 0.40566963282546 0.03320607549801 15.999 > 25 26 O 0.39159250537498 0.90566963282546 0.03320607549801 15.999 > 25 27 O 0.60840749462502 0.09433036717454 0.53320607549801 15.999 > 27 28 O 0.60840749462502 0.59433036717454 0.53320607549801 15.999 > 27 29 O 0.89159250537498 0.34433036717454 0.03320607549801 15.999 > 29 30 O 0.89159250537498 0.84433036717454 0.03320607549801 15.999 > 29 31 O 0.90118832539933 0.34383265840518 0.72819012067172 15.999 > 31 32 O 0.90118832539933 0.84383265840518 0.72819012067172 15.999 > 31 33 O 0.10840749462502 0.15566963282546 0.53320607549801 15.999 > 33 34 O 0.10840749462502 0.65566963282546 0.53320607549801 15.999 > 33 35 O 0.72363851621849 0.26626508920958 0.63596528485372 15.999 > 35 36 O 0.72363851621849 0.76626508920958 0.63596528485372 15.999 > 35 37 O 0.77636148378151 0.01626508920958 0.13596528485372 15.999 > 37 38 O 0.77636148378151 0.51626508920958 0.13596528485372 15.999 > 37 39 O 0.22363851621849 0.48373491079042 0.63596528485372 15.999 > 39 40 O 0.22363851621849 0.98373491079042 0.63596528485372 15.999 > 39 41 O 0.26906822215477 0.27320418698224 0.87821418838773 15.999 > 41 42 O 0.26906822215477 0.77320418698224 0.87821418838773 15.999 > 41 43 O 0.73093177784523 0.22679581301776 0.37821418838773 15.999 > 43 44 O 0.73093177784523 0.72679581301776 0.37821418838773 15.999 > 43 45 O 0.76906822215477 0.47679581301776 0.87821418838773 15.999 > 45 46 O 0.76906822215477 0.97679581301776 0.87821418838773 15.999 > 45 47 O 0.23093177784523 0.02320418698224 0.37821418838773 15.999 > 47 48 O 0.23093177784523 0.52320418698224 0.37821418838773 15.999 > 47 49 O 0.48593929495947 0.24162445752181 0.13145235287112 15.999 > 49 50 O 0.48593929495947 0.74162445752181 0.13145235287112 15.999 > 49 51 O 0.51406070504053 0.25837554247819 0.63145235287112 15.999 > 51 52 O 0.51406070504053 0.75837554247819 0.63145235287112 15.999 > 51 53 O 0.98593929495947 0.00837554247819 0.13145235287112 15.999 > 53 54 O 0.98593929495947 0.50837554247819 0.13145235287112 15.999 > 53 55 O 0.01406070504053 0.49162445752181 0.63145235287112 15.999 > 55 56 O 0.01406070504053 0.99162445752181 0.63145235287112 15.999 > 55 57 O 0.51794544012855 0.23767201175522 0.37519037451701 15.999 > 57 58 O 0.51794544012855 0.73767201175522 0.37519037451701 15.999 > 57 59 O 0.48205455987145 0.26232798824478 0.87519037451701 15.999 > 59 60 O 0.48205455987145 0.76232798824478 0.87519037451701 15.999 > 59 61 O 0.01794544012855 0.01232798824478 0.37519037451701 15.999 > 61 62 O 0.01794544012855 0.51232798824478 0.37519037451701 15.999 > 61 63 O 0.98205455987145 0.48767201175522 0.87519037451701 15.999 > 63 64 O 0.98205455987145 0.98767201175522 0.87519037451701 15.999 > 63 65 O 0.40474682309409 0.09657250892474 0.27488532958603 15.999 > 65 66 O 0.40474682309409 0.59657250892474 0.27488532958603 15.999 > 65 67 O 0.59525317690591 0.40342749107526 0.77488532958603 15.999 > 67 68 O 0.59525317690591 0.90342749107526 0.77488532958603 15.999 > 67 69 O 0.90474682309409 0.15342749107526 0.27488532958603 15.999 > 69 70 O 0.90474682309409 0.65342749107526 0.27488532958603 15.999 > 69 71 O 0.09525317690591 0.34657250892474 0.77488532958603 15.999 > 71 72 O 0.09525317690591 0.84657250892474 0.77488532958603 15.999 > 71 73 O 0.59881167460067 0.09383265840518 0.22819012067172 15.999 > 73 74 O 0.59881167460067 0.59383265840518 0.22819012067172 15.999 > 73 75 O 0.40118832539933 0.40616734159482 0.72819012067172 15.999 > 75 76 O 0.40118832539933 0.90616734159482 0.72819012067172 15.999 > 75 77 O 0.09881167460067 0.15616734159482 0.22819012067172 15.999 > 77 78 O 0.09881167460067 0.65616734159482 0.22819012067172 15.999 > 77 79 O 0.27636148378151 0.23373491079042 0.13596528485372 15.999 > 79 80 O 0.27636148378151 0.73373491079042 0.13596528485372 15.999 > 79 81 P 0.99729348208919 0.41659063960815 0.75095045926795 30.974 > 81 82 P 0.99729348208919 0.91659063960815 0.75095045926795 30.974 > 81 83 P 0.50270651791081 0.16659063960815 0.25095045926795 30.974 > 83 84 P 0.50270651791081 0.66659063960815 0.25095045926795 30.974 > 83 85 P 0.49729348208919 0.33340936039185 0.75095045926795 30.974 > 85 86 P 0.49729348208919 0.83340936039185 0.75095045926795 30.974 > 85 87 P 0.00270651791081 0.08340936039185 0.25095045926795 30.974 > 87 88 P 0.00270651791081 0.58340936039185 0.25095045926795 30.974 > 87 89 P 0.17956237312935 0.25173506958880 0.50348245724888 30.974 > 89 90 P 0.17956237312935 0.75173506958880 0.50348245724888 30.974 > 89 91 P 0.82043762687065 0.24826493041120 0.00348245724888 30.974 > 91 92 P 0.82043762687065 0.74826493041120 0.00348245724888 30.974 > 91 93 P 0.67956237312935 0.49826493041120 0.50348245724888 30.974 > 93 94 P 0.67956237312935 0.99826493041120 0.50348245724888 30.974 > 93 95 P 0.32043762687065 0.00173506958880 0.00348245724888 30.974 > 95 96 P 0.32043762687065 0.50173506958880 0.00348245724888 30.974 > 95 97 K 0.39118437032172 0.09467998553477 0.56621260971653 39.098 > 97 98 K 0.39118437032172 0.59467998553477 0.56621260971653 39.098 > 97 99 K 0.61916498318544 0.11081249189027 0.81249269835196 39.098 > 99 100 K 0.61916498318544 0.61081249189027 0.81249269835196 39.098 > 99 101 K 0.88083501681456 0.36081249189027 0.31249269835196 39.098 > 101 102 K 0.88083501681456 0.86081249189027 0.31249269835196 39.098 > 101 103 K 0.11916498318544 0.13918750810973 0.81249269835196 39.098 > 103 104 K 0.11916498318544 0.63918750810973 0.81249269835196 39.098 > 103 105 K 0.38083501681456 0.38918750810973 0.31249269835196 39.098 > 105 106 K 0.38083501681456 0.88918750810973 0.31249269835196 39.098 > 105 107 K 0.10881562967828 0.34467998553477 0.06621260971653 39.098 > 107 108 K 0.10881562967828 0.84467998553477 0.06621260971653 39.098 > 107 109 K 0.89118437032172 0.15532001446523 0.56621260971653 39.098 > 109 110 K 0.89118437032172 0.65532001446523 0.56621260971653 39.098 > 109 111 K 0.60881562967828 0.40532001446523 0.06621260971653 39.098 > 111 112 K 0.60881562967828 0.90532001446523 0.06621260971653 39.098 > 111 113 Ge 0.25084698404095 0.37693388459327 0.75277569073609 72.640 > 113 114 Ge 0.25084698404095 0.87693388459327 0.75277569073609 72.640 > 113 115 Ge 0.74915301595905 0.12306611540673 0.25277569073609 72.640 > 115 116 Ge 0.74915301595905 0.62306611540673 0.25277569073609 72.640 > 115 117 Ge 0.75084698404095 0.37306611540673 0.75277569073609 72.640 > 117 118 Ge 0.75084698404095 0.87306611540673 0.75277569073609 72.640 > 117 119 Ge 0.24915301595905 0.12693388459327 0.25277569073609 72.640 > 119 120 Ge 0.24915301595905 0.62693388459327 0.25277569073609 72.640 > 119 121 Ge 0.12979024824862 0.49878501523804 0.50139300883926 72.640 > 121 122 Ge 0.12979024824862 0.99878501523804 0.50139300883926 72.640 > 121 123 Ge 0.87020975175138 0.00121498476196 0.00139300883926 72.640 > 123 124 Ge 0.87020975175138 0.50121498476196 0.00139300883926 72.640 > 123 125 Ge 0.62979024824862 0.25121498476196 0.50139300883926 72.640 > 125 126 Ge 0.62979024824862 0.75121498476196 0.50139300883926 72.640 > 125 127 Ge 0.37020975175138 0.24878501523804 0.00139300883926 72.640 > 127 128 Ge 0.37020975175138 0.74878501523804 0.00139300883926 72.640 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.9442599 0.0000000 0.0000000 0.0000000 2.9646626 0.0000000 0.0000000 0.0000000 3.0463629 -------------------------- Born effective charges -------------------------- 1 O -1.4193923 -0.0524558 -0.5419618 -0.1433879 -1.6241385 -0.7098741 -0.7442529 -0.5720798 -2.3438635 2 O -1.4193923 -0.0524558 0.5419618 -0.1433879 -1.6241385 0.7098741 0.7442529 0.5720798 -2.3438635 3 O -1.4193923 0.0524558 -0.5419618 0.1433879 -1.6241385 0.7098741 -0.7442529 0.5720798 -2.3438635 4 O -1.4193923 0.0524558 0.5419618 0.1433879 -1.6241385 -0.7098741 0.7442529 -0.5720798 -2.3438635 5 O -1.3704189 0.0557413 0.4938756 0.1443307 -1.6273846 -0.7597593 0.6568381 -0.6252663 -2.3663516 6 O -1.3704189 0.0557413 -0.4938756 0.1443307 -1.6273846 0.7597593 -0.6568381 0.6252663 -2.3663516 7 O -1.3704189 -0.0557413 0.4938756 -0.1443307 -1.6273846 0.7597593 0.6568381 0.6252663 -2.3663516 8 O -1.3704189 -0.0557413 -0.4938756 -0.1443307 -1.6273846 -0.7597593 -0.6568381 -0.6252663 -2.3663516 9 O -1.2355982 -0.4180496 0.1212022 -0.5602512 -2.8618326 0.0753642 0.1089747 -0.1178894 -1.1624699 10 O -1.2355982 -0.4180496 -0.1212022 -0.5602512 -2.8618326 -0.0753642 -0.1089747 0.1178894 -1.1624699 11 O -1.2355982 0.4180496 0.1212022 0.5602512 -2.8618326 -0.0753642 0.1089747 0.1178894 -1.1624699 12 O -1.2355982 0.4180496 -0.1212022 0.5602512 -2.8618326 0.0753642 -0.1089747 -0.1178894 -1.1624699 13 O -1.3495775 0.4204936 -0.1314149 0.5724814 -2.7665211 0.0727503 -0.1291031 -0.1297525 -1.2539913 14 O -1.3495775 0.4204936 0.1314149 0.5724814 -2.7665211 -0.0727503 0.1291031 0.1297525 -1.2539913 15 O -1.3495775 -0.4204936 -0.1314149 -0.5724814 -2.7665211 -0.0727503 -0.1291031 0.1297525 -1.2539913 16 O -2.8502140 -0.5762785 0.0240620 -0.4462096 -1.3089698 -0.1244366 0.1079562 -0.1278704 -1.1700486 17 O -1.3495775 -0.4204936 0.1314149 -0.5724814 -2.7665211 0.0727503 0.1291031 -0.1297525 -1.2539913 18 O -1.5857343 -0.0799058 -0.3935201 -0.1602677 -1.7067512 -0.5042654 -0.3929279 -0.4999789 -2.0497528 19 O -1.5857343 0.0799058 0.3935201 0.1602677 -1.7067512 -0.5042654 0.3929279 -0.4999789 -2.0497528 20 O -1.5857343 0.0799058 -0.3935201 0.1602677 -1.7067512 0.5042654 -0.3929279 0.4999789 -2.0497528 21 O -1.6511336 0.0905061 -0.4407921 0.1459842 -1.6706555 0.4835623 -0.4637492 0.4676131 -2.0471970 22 O -1.6511336 0.0905061 0.4407921 0.1459842 -1.6706555 -0.4835623 0.4637492 -0.4676131 -2.0471970 23 O -1.6511336 -0.0905061 -0.4407921 -0.1459842 -1.6706555 -0.4835623 -0.4637492 -0.4676131 -2.0471970 24 O -1.6511336 -0.0905061 0.4407921 -0.1459842 -1.6706555 0.4835623 0.4637492 0.4676131 -2.0471970 25 O -1.6836400 0.2477040 -0.8040971 0.0452038 -1.4597251 0.5733214 -0.5094049 0.7613347 -2.2281167 26 O -1.6836400 0.2477040 0.8040971 0.0452038 -1.4597251 -0.5733214 0.5094049 -0.7613347 -2.2281167 27 O -1.6836400 -0.2477040 -0.8040971 -0.0452038 -1.4597251 -0.5733214 -0.5094049 -0.7613347 -2.2281167 28 O -1.6836400 -0.2477040 0.8040971 -0.0452038 -1.4597251 0.5733214 0.5094049 0.7613347 -2.2281167 29 O -1.7034912 -0.2285810 -0.8933848 -0.0137499 -1.3867841 -0.5052851 -0.5414839 -0.6946479 -2.3223357 30 O -1.7034912 -0.2285810 0.8933848 -0.0137499 -1.3867841 0.5052851 0.5414839 0.6946479 -2.3223357 31 O -1.7034912 0.2285810 -0.8933848 0.0137499 -1.3867841 0.5052851 -0.5414839 0.6946479 -2.3223357 32 O -1.7034912 0.2285810 0.8933848 0.0137499 -1.3867841 -0.5052851 0.5414839 -0.6946479 -2.3223357 33 O -2.7974205 -0.5770614 0.0173034 -0.4558430 -1.3930433 0.1265753 -0.1152283 0.1123681 -1.2327896 34 O -2.7974205 -0.5770614 -0.0173034 -0.4558430 -1.3930433 -0.1265753 0.1152283 -0.1123681 -1.2327896 35 O -2.7974205 0.5770614 0.0173034 0.4558430 -1.3930433 -0.1265753 -0.1152283 -0.1123681 -1.2327896 36 O -2.7974205 0.5770614 -0.0173034 0.4558430 -1.3930433 0.1265753 0.1152283 0.1123681 -1.2327896 37 O -2.8502140 0.5762785 -0.0240620 0.4462096 -1.3089698 -0.1244366 -0.1079562 -0.1278704 -1.1700486 38 O -2.8502140 0.5762785 0.0240620 0.4462096 -1.3089698 0.1244366 0.1079562 0.1278704 -1.1700486 39 O -2.8502140 -0.5762785 -0.0240620 -0.4462096 -1.3089698 0.1244366 -0.1079562 0.1278704 -1.1700486 40 O -1.5857343 -0.0799058 0.3935201 -0.1602677 -1.7067512 0.5042654 0.3929279 0.4999789 -2.0497528 41 P 4.0789773 0.0830099 -0.7825376 0.0212924 2.9216583 -0.0690084 -0.2896966 -0.0544164 3.5692723 42 P 4.0789773 -0.0830099 0.7825376 -0.0212924 2.9216583 -0.0690084 0.2896966 -0.0544164 3.5692723 43 P 4.0789773 -0.0830099 -0.7825376 -0.0212924 2.9216583 0.0690084 -0.2896966 0.0544164 3.5692723 44 P 4.0789773 0.0830099 0.7825376 0.0212924 2.9216583 0.0690084 0.2896966 0.0544164 3.5692723 45 P 2.8838295 -0.0166246 -0.0576821 -0.0463953 4.0904946 0.5330463 -0.0873795 0.3957019 3.5326505 46 P 2.8838295 -0.0166246 0.0576821 -0.0463953 4.0904946 -0.5330463 0.0873795 -0.3957019 3.5326505 47 P 2.8838295 0.0166246 -0.0576821 0.0463953 4.0904946 -0.5330463 -0.0873795 -0.3957019 3.5326505 48 P 2.8838295 0.0166246 0.0576821 0.0463953 4.0904946 0.5330463 0.0873795 0.3957019 3.5326505 49 K 1.3810412 0.1016119 0.0015906 0.0984225 1.2279729 -0.0949921 0.0047467 -0.0579598 1.1379559 50 K 1.1725785 -0.0715694 -0.0045564 -0.0782802 1.4179601 0.0175832 0.0067957 0.0261064 1.1375616 51 K 1.1725785 0.0715694 0.0045564 0.0782802 1.4179601 0.0175832 -0.0067957 0.0261064 1.1375616 52 K 1.1725785 0.0715694 -0.0045564 0.0782802 1.4179601 -0.0175832 0.0067957 -0.0261064 1.1375616 53 K 1.1725785 -0.0715694 0.0045564 -0.0782802 1.4179601 -0.0175832 -0.0067957 -0.0261064 1.1375616 54 K 1.3810412 -0.1016119 -0.0015906 -0.0984225 1.2279729 -0.0949921 -0.0047467 -0.0579598 1.1379559 55 K 1.3810412 -0.1016119 0.0015906 -0.0984225 1.2279729 0.0949921 0.0047467 0.0579598 1.1379559 56 K 1.3810412 0.1016119 -0.0015906 0.0984225 1.2279729 0.0949921 -0.0047467 0.0579598 1.1379559 57 Ge 4.4822691 0.0578791 0.6600179 -0.4621383 3.6087801 0.2082947 0.2735943 0.1119798 4.4264278 58 Ge 4.4822691 0.0578791 -0.6600179 -0.4621383 3.6087801 -0.2082947 -0.2735943 -0.1119798 4.4264278 59 Ge 4.4822691 -0.0578791 0.6600179 0.4621383 3.6087801 -0.2082947 0.2735943 -0.1119798 4.4264278 60 Ge 4.4822691 -0.0578791 -0.6600179 0.4621383 3.6087801 0.2082947 -0.2735943 0.1119798 4.4264278 61 Ge 3.6479247 -0.0150975 0.0009220 0.0271223 4.5389399 -0.7336855 -0.0559269 -0.3919326 4.3730488 62 Ge 3.6479247 -0.0150975 -0.0009220 0.0271223 4.5389399 0.7336855 0.0559269 0.3919326 4.3730488 63 Ge 3.6479247 0.0150975 0.0009220 -0.0271223 4.5389399 0.7336855 -0.0559269 0.3919326 4.3730488 64 Ge 3.6479247 0.0150975 -0.0009220 -0.0271223 4.5389399 -0.7336855 0.0559269 -0.3919326 4.3730488 ---------------------------------------------------------------------------- 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 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 4 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: 0.45, Number of G-points: 307, Lambda: 0.08 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/45) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.656 ( 0.000 0.000 0.000) 0.000 1.768 ( 0.000 0.000 -0.000) 0.000 2.243 ( 0.000 0.000 0.000) 0.000 2.460 ( 0.000 0.000 0.000) 0.000 2.621 ( 0.000 0.000 0.000) 0.000 2.632 ( 0.000 0.000 0.000) 0.000 2.729 ( 0.000 0.000 0.000) 0.000 2.788 ( 0.000 0.000 0.000) 0.000 2.905 ( 0.000 0.000 0.000) 0.000 2.958 ( 0.000 0.000 -0.000) 0.000 3.107 ( 0.000 0.000 -0.000) 0.000 3.130 ( 0.000 0.000 0.000) 0.000 3.227 ( 0.000 0.000 -0.000) 0.000 3.248 ( 0.000 0.000 0.000) 0.000 3.320 ( 0.000 0.000 0.000) 0.000 3.343 ( 0.000 0.000 0.000) 0.000 3.422 ( 0.000 0.000 0.000) 0.000 3.658 ( 0.000 0.000 0.000) 0.000 3.700 ( 0.000 0.000 -0.000) 0.000 3.754 ( 0.000 0.000 0.000) 0.000 3.848 ( 0.000 0.000 -0.000) 0.000 3.865 ( 0.000 0.000 -0.000) 0.000 4.017 ( 0.000 0.000 0.000) 0.000 4.133 ( 0.000 0.000 0.000) 0.000 4.192 ( 0.000 0.000 0.000) 0.000 4.208 ( 0.000 0.000 -0.000) 0.000 4.285 ( 0.000 0.000 0.000) 0.000 4.320 ( 0.000 0.000 0.000) 0.000 4.499 ( 0.000 0.000 0.000) 0.000 4.667 ( 0.000 0.000 -0.000) 0.000 4.687 ( 0.000 0.000 -0.000) 0.000 4.715 ( 0.000 0.000 0.000) 0.000 4.943 ( 0.000 0.000 -0.000) 0.000 5.015 ( 0.000 0.000 0.000) 0.000 5.106 ( 0.000 0.000 0.000) 0.000 5.231 ( 0.000 0.000 0.000) 0.000 5.306 ( 0.000 0.000 0.000) 0.000 5.364 ( 0.000 0.000 -0.000) 0.000 5.366 ( 0.000 0.000 0.000) 0.000 5.467 ( 0.000 0.000 -0.000) 0.000 5.468 ( 0.000 0.000 0.000) 0.000 5.510 ( 0.000 0.000 -0.000) 0.000 5.555 ( 0.000 0.000 0.000) 0.000 5.755 ( 0.000 0.000 0.000) 0.000 5.801 ( 0.000 0.000 0.000) 0.000 6.012 ( 0.000 0.000 0.000) 0.000 6.034 ( 0.000 0.000 0.000) 0.000 6.047 ( 0.000 0.000 -0.000) 0.000 6.048 ( 0.000 0.000 0.000) 0.000 6.131 ( 0.000 0.000 -0.000) 0.000 6.425 ( 0.000 0.000 0.000) 0.000 6.530 ( 0.000 0.000 -0.000) 0.000 6.562 ( 0.000 0.000 0.000) 0.000 6.751 ( 0.000 0.000 0.000) 0.000 6.817 ( 0.000 0.000 -0.000) 0.000 6.829 ( 0.000 0.000 0.000) 0.000 6.934 ( 0.000 0.000 0.000) 0.000 7.057 ( 0.000 0.000 0.000) 0.000 7.114 ( 0.000 0.000 0.000) 0.000 7.209 ( 0.000 0.000 0.000) 0.000 7.377 ( 0.000 0.000 0.000) 0.000 7.441 ( 0.000 0.000 0.000) 0.000 7.524 ( 0.000 0.000 0.000) 0.000 7.648 ( 0.000 0.000 0.000) 0.000 7.661 ( 0.000 0.000 0.000) 0.000 7.684 ( 0.000 0.000 0.000) 0.000 7.836 ( 0.000 0.000 0.000) 0.000 7.844 ( 0.000 0.000 0.000) 0.000 8.010 ( 0.000 0.000 0.000) 0.000 8.170 ( 0.000 0.000 -0.000) 0.000 8.198 ( 0.000 0.000 -0.000) 0.000 8.206 ( 0.000 0.000 0.000) 0.000 8.306 ( 0.000 0.000 0.000) 0.000 8.470 ( 0.000 0.000 0.000) 0.000 8.600 ( 0.000 0.000 0.000) 0.000 8.616 ( 0.000 0.000 0.000) 0.000 8.643 ( 0.000 0.000 -0.000) 0.000 8.679 ( 0.000 0.000 0.000) 0.000 8.789 ( 0.000 0.000 -0.000) 0.000 8.847 ( 0.000 0.000 0.000) 0.000 8.866 ( 0.000 0.000 0.000) 0.000 8.965 ( 0.000 0.000 0.000) 0.000 9.285 ( 0.000 0.000 0.000) 0.000 9.429 ( 0.000 0.000 0.000) 0.000 9.444 ( 0.000 0.000 -0.000) 0.000 9.482 ( 0.000 0.000 0.000) 0.000 9.564 ( 0.000 0.000 -0.000) 0.000 9.722 ( 0.000 0.000 0.000) 0.000 9.820 ( 0.000 0.000 0.000) 0.000 9.827 ( 0.000 0.000 -0.000) 0.000 9.897 ( 0.000 0.000 -0.000) 0.000 10.134 ( 0.000 0.000 0.000) 0.000 10.216 ( 0.000 0.000 0.000) 0.000 10.239 ( 0.000 0.000 -0.000) 0.000 10.245 ( 0.000 0.000 0.000) 0.000 10.555 ( 0.000 0.000 -0.000) 0.000 10.653 ( 0.000 0.000 0.000) 0.000 10.712 ( 0.000 0.000 0.000) 0.000 10.717 ( 0.000 0.000 -0.000) 0.000 10.956 ( 0.000 0.000 0.000) 0.000 11.190 ( 0.000 0.000 -0.000) 0.000 11.320 ( 0.000 0.000 0.000) 0.000 11.352 ( 0.000 0.000 0.000) 0.000 11.425 ( 0.000 0.000 -0.000) 0.000 11.488 ( 0.000 0.000 -0.000) 0.000 11.535 ( 0.000 0.000 -0.000) 0.000 11.760 ( 0.000 0.000 0.000) 0.000 12.009 ( 0.000 0.000 -0.000) 0.000 12.033 ( 0.000 0.000 -0.000) 0.000 13.035 ( 0.000 0.000 -0.000) 0.000 13.409 ( 0.000 0.000 0.000) 0.000 13.950 ( 0.000 0.000 0.000) 0.000 13.994 ( 0.000 0.000 0.000) 0.000 14.288 ( 0.000 0.000 0.000) 0.000 14.496 ( 0.000 0.000 0.000) 0.000 14.768 ( 0.000 0.000 0.000) 0.000 14.816 ( 0.000 0.000 0.000) 0.000 14.902 ( 0.000 0.000 0.000) 0.000 15.234 ( 0.000 0.000 0.000) 0.000 15.239 ( 0.000 0.000 0.000) 0.000 15.303 ( 0.000 0.000 0.000) 0.000 15.383 ( 0.000 0.000 0.000) 0.000 15.388 ( 0.000 0.000 -0.000) 0.000 15.614 ( 0.000 0.000 0.000) 0.000 15.670 ( 0.000 0.000 -0.000) 0.000 16.071 ( 0.000 0.000 -0.000) 0.000 16.126 ( 0.000 0.000 0.000) 0.000 16.160 ( 0.000 0.000 -0.000) 0.000 16.199 ( 0.000 0.000 0.000) 0.000 16.208 ( 0.000 0.000 0.000) 0.000 16.319 ( 0.000 0.000 -0.000) 0.000 16.362 ( 0.000 0.000 0.000) 0.000 16.540 ( 0.000 0.000 0.000) 0.000 17.008 ( 0.000 0.000 0.000) 0.000 17.114 ( 0.000 0.000 0.000) 0.000 17.206 ( 0.000 0.000 -0.000) 0.000 17.261 ( 0.000 0.000 0.000) 0.000 17.270 ( 0.000 0.000 0.000) 0.000 17.394 ( 0.000 0.000 -0.000) 0.000 17.418 ( 0.000 0.000 -0.000) 0.000 17.497 ( 0.000 0.000 0.000) 0.000 17.942 ( 0.000 0.000 0.000) 0.000 17.996 ( 0.000 0.000 0.000) 0.000 18.117 ( 0.000 0.000 0.000) 0.000 18.236 ( 0.000 0.000 0.000) 0.000 18.585 ( 0.000 0.000 -0.000) 0.000 18.745 ( 0.000 0.000 0.000) 0.000 18.936 ( 0.000 0.000 0.000) 0.000 19.293 ( 0.000 0.000 -0.000) 0.000 20.140 ( 0.000 0.000 0.000) 0.000 20.303 ( 0.000 0.000 0.000) 0.000 20.730 ( 0.000 0.000 -0.000) 0.000 20.744 ( 0.000 0.000 -0.000) 0.000 21.800 ( 0.000 0.000 0.000) 0.000 21.833 ( 0.000 0.000 0.000) 0.000 22.861 ( 0.000 0.000 0.000) 0.000 23.171 ( 0.000 0.000 0.000) 0.000 28.014 ( 0.000 0.000 0.000) 0.000 28.091 ( 0.000 0.000 0.000) 0.000 28.201 ( 0.000 0.000 -0.000) 0.000 28.335 ( 0.000 0.000 0.000) 0.000 28.395 ( 0.000 0.000 0.000) 0.000 28.404 ( 0.000 0.000 0.000) 0.000 28.419 ( 0.000 0.000 -0.000) 0.000 28.642 ( 0.000 0.000 0.000) 0.000 28.733 ( 0.000 0.000 0.000) 0.000 28.844 ( 0.000 0.000 0.000) 0.000 28.945 ( 0.000 0.000 -0.000) 0.000 29.028 ( 0.000 0.000 -0.000) 0.000 29.414 ( 0.000 0.000 0.000) 0.000 29.505 ( 0.000 0.000 -0.000) 0.000 29.662 ( 0.000 0.000 0.000) 0.000 29.803 ( 0.000 0.000 0.000) 0.000 29.878 ( 0.000 0.000 0.000) 0.000 29.924 ( 0.000 0.000 0.000) 0.000 30.286 ( 0.000 0.000 0.000) 0.000 30.308 ( 0.000 0.000 0.000) 0.000 30.420 ( 0.000 0.000 0.000) 0.000 30.495 ( 0.000 0.000 0.000) 0.000 30.505 ( 0.000 0.000 0.000) 0.000 30.569 ( 0.000 0.000 0.000) 0.000 30.588 ( 0.000 0.000 0.000) 0.000 31.856 ( 0.000 0.000 0.000) 0.000 32.098 ( 0.000 0.000 0.000) 0.000 32.240 ( 0.000 0.000 0.000) 0.000 32.264 ( 0.000 0.000 0.000) 0.000 32.522 ( 0.000 0.000 -0.000) 0.000 32.612 ( 0.000 0.000 0.000) 0.000 32.822 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/45) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.749 ( 36.926 0.000 0.000) 36.926 0.765 ( 38.266 0.000 0.000) 38.266 1.301 ( 62.287 0.000 0.000) 62.287 1.742 ( 1.006 0.000 0.000) 1.006 1.908 ( 11.274 0.000 0.000) 11.274 2.038 ( -18.608 0.000 0.000) 18.608 2.396 ( -4.208 0.000 0.000) 4.208 2.572 ( -1.860 0.000 0.000) 1.860 2.656 ( -2.935 0.000 0.000) 2.935 2.708 ( -2.432 0.000 0.000) 2.432 2.736 ( 0.099 0.000 0.000) 0.099 2.871 ( -4.792 0.000 0.000) 4.792 2.914 ( -10.942 0.000 0.000) 10.942 3.007 ( 2.935 0.000 0.000) 2.935 3.187 ( -8.124 0.000 0.000) 8.124 3.194 ( 5.098 0.000 0.000) 5.098 3.225 ( -4.724 0.000 0.000) 4.724 3.342 ( 4.264 0.000 0.000) 4.264 3.441 ( -9.692 0.000 0.000) 9.692 3.444 ( 5.499 0.000 0.000) 5.499 3.500 ( -2.329 0.000 0.000) 2.329 3.678 ( -1.036 0.000 0.000) 1.036 3.754 ( -2.155 0.000 0.000) 2.155 3.818 ( -1.829 0.000 0.000) 1.829 3.834 ( -10.598 0.000 0.000) 10.598 3.964 ( 5.713 0.000 0.000) 5.713 4.066 ( -16.424 0.000 0.000) 16.424 4.134 ( 0.689 0.000 0.000) 0.689 4.138 ( -2.310 0.000 0.000) 2.310 4.406 ( -8.235 0.000 0.000) 8.235 4.421 ( 10.708 0.000 0.000) 10.708 4.537 ( 12.901 0.000 0.000) 12.901 4.635 ( -2.636 0.000 0.000) 2.636 4.654 ( -0.161 0.000 0.000) 0.161 4.707 ( 0.589 0.000 0.000) 0.589 4.896 ( -8.652 0.000 0.000) 8.652 5.046 ( 6.748 0.000 0.000) 6.748 5.105 ( -0.245 0.000 0.000) 0.245 5.205 ( -3.243 0.000 0.000) 3.243 5.306 ( -5.905 0.000 0.000) 5.905 5.352 ( 3.573 0.000 0.000) 3.573 5.359 ( 1.192 0.000 0.000) 1.192 5.501 ( 4.050 0.000 0.000) 4.050 5.556 ( 1.506 0.000 0.000) 1.506 5.647 ( 7.579 0.000 0.000) 7.579 5.655 ( 6.548 0.000 0.000) 6.548 5.783 ( -0.908 0.000 0.000) 0.908 5.798 ( -0.496 0.000 0.000) 0.496 5.911 ( -5.481 0.000 0.000) 5.481 5.938 ( -5.494 0.000 0.000) 5.494 6.081 ( 4.582 0.000 0.000) 4.582 6.198 ( 3.533 0.000 0.000) 3.533 6.218 ( 5.928 0.000 0.000) 5.928 6.363 ( -2.416 0.000 0.000) 2.416 6.532 ( -10.658 0.000 0.000) 10.658 6.533 ( -4.320 0.000 0.000) 4.320 6.577 ( 0.289 0.000 0.000) 0.289 6.755 ( -4.852 0.000 0.000) 4.852 6.904 ( -10.443 0.000 0.000) 10.443 6.907 ( -2.100 0.000 0.000) 2.100 7.144 ( 5.620 0.000 0.000) 5.620 7.149 ( 2.954 0.000 0.000) 2.954 7.322 ( 11.047 0.000 0.000) 11.047 7.360 ( -1.995 0.000 0.000) 1.995 7.504 ( 2.097 0.000 0.000) 2.097 7.506 ( -2.377 0.000 0.000) 2.377 7.631 ( -2.698 0.000 0.000) 2.698 7.725 ( 5.716 0.000 0.000) 5.716 7.727 ( -0.010 0.000 0.000) 0.010 7.836 ( 1.037 0.000 0.000) 1.037 7.940 ( -6.087 0.000 0.000) 6.087 8.044 ( -6.458 0.000 0.000) 6.458 8.160 ( -0.235 0.000 0.000) 0.235 8.217 ( -1.041 0.000 0.000) 1.041 8.316 ( 2.192 0.000 0.000) 2.192 8.354 ( 4.303 0.000 0.000) 4.303 8.478 ( 1.762 0.000 0.000) 1.762 8.616 ( -0.697 0.000 0.000) 0.697 8.678 ( 0.929 0.000 0.000) 0.929 8.717 ( 5.727 0.000 0.000) 5.727 8.751 ( -1.890 0.000 0.000) 1.890 8.915 ( 2.411 0.000 0.000) 2.411 8.921 ( 3.815 0.000 0.000) 3.815 8.936 ( -0.944 0.000 0.000) 0.944 9.316 ( 3.077 0.000 0.000) 3.077 9.435 ( -0.598 0.000 0.000) 0.598 9.458 ( 5.964 0.000 0.000) 5.964 9.475 ( -0.368 0.000 0.000) 0.368 9.567 ( 0.589 0.000 0.000) 0.589 9.665 ( -5.468 0.000 0.000) 5.468 9.826 ( 1.413 0.000 0.000) 1.413 9.843 ( 3.359 0.000 0.000) 3.359 9.878 ( 3.621 0.000 0.000) 3.621 9.917 ( -1.296 0.000 0.000) 1.296 10.127 ( -1.300 0.000 0.000) 1.300 10.178 ( -5.220 0.000 0.000) 5.220 10.179 ( -4.851 0.000 0.000) 4.851 10.186 ( -3.507 0.000 0.000) 3.507 10.647 ( 7.582 0.000 0.000) 7.582 10.706 ( 5.897 0.000 0.000) 5.897 10.815 ( 7.928 0.000 0.000) 7.928 10.900 ( -4.443 0.000 0.000) 4.443 11.183 ( -8.526 0.000 0.000) 8.526 11.199 ( -3.652 0.000 0.000) 3.652 11.238 ( 0.061 0.000 0.000) 0.061 11.368 ( -4.105 0.000 0.000) 4.105 11.404 ( 3.175 0.000 0.000) 3.175 11.608 ( -4.954 0.000 0.000) 4.954 11.677 ( 7.732 0.000 0.000) 7.732 11.773 ( 1.049 0.000 0.000) 1.049 11.997 ( -1.243 0.000 0.000) 1.243 12.005 ( -2.315 0.000 0.000) 2.315 13.089 ( 4.522 0.000 0.000) 4.522 13.346 ( -5.825 0.000 0.000) 5.825 13.961 ( 1.025 0.000 0.000) 1.025 13.995 ( -0.155 0.000 0.000) 0.155 14.327 ( 3.589 0.000 0.000) 3.589 14.474 ( -2.241 0.000 0.000) 2.241 14.766 ( -0.080 0.000 0.000) 0.080 14.797 ( -1.533 0.000 0.000) 1.533 15.214 ( 1.835 0.000 0.000) 1.835 15.240 ( 0.082 0.000 0.000) 0.082 15.296 ( -0.197 0.000 0.000) 0.197 15.330 ( -1.635 0.000 0.000) 1.635 15.423 ( 3.526 0.000 0.000) 3.526 15.576 ( -2.889 0.000 0.000) 2.889 15.612 ( 0.097 0.000 0.000) 0.097 15.655 ( -1.365 0.000 0.000) 1.365 16.068 ( -0.110 0.000 0.000) 0.110 16.106 ( -1.682 0.000 0.000) 1.682 16.137 ( -0.645 0.000 0.000) 0.645 16.179 ( -1.916 0.000 0.000) 1.916 16.260 ( 3.526 0.000 0.000) 3.526 16.346 ( 0.629 0.000 0.000) 0.629 16.392 ( 2.604 0.000 0.000) 2.604 16.524 ( -1.709 0.000 0.000) 1.709 17.008 ( 0.215 0.000 0.000) 0.215 17.075 ( -2.913 0.000 0.000) 2.913 17.232 ( 1.295 0.000 0.000) 1.295 17.264 ( -0.571 0.000 0.000) 0.571 17.404 ( 0.847 0.000 0.000) 0.847 17.421 ( 0.139 0.000 0.000) 0.139 17.506 ( 0.816 0.000 0.000) 0.816 17.534 ( 0.001 0.000 0.000) 0.001 17.977 ( 0.736 0.000 0.000) 0.736 18.080 ( 4.736 0.000 0.000) 4.736 18.087 ( -2.812 0.000 0.000) 2.812 18.221 ( -1.603 0.000 0.000) 1.603 18.605 ( 1.974 0.000 0.000) 1.974 18.718 ( -2.499 0.000 0.000) 2.499 19.280 ( 0.279 0.000 0.000) 0.279 19.292 ( -0.163 0.000 0.000) 0.163 20.162 ( 2.142 0.000 0.000) 2.142 20.278 ( -2.469 0.000 0.000) 2.469 20.731 ( 0.075 0.000 0.000) 0.075 20.740 ( -0.293 0.000 0.000) 0.293 21.804 ( 0.416 0.000 0.000) 0.416 21.827 ( -0.509 0.000 0.000) 0.509 23.174 ( 0.278 0.000 0.000) 0.278 23.185 ( -0.185 0.000 0.000) 0.185 28.026 ( 0.884 0.000 0.000) 0.884 28.078 ( -1.219 0.000 0.000) 1.219 28.214 ( 1.273 0.000 0.000) 1.273 28.302 ( -2.746 0.000 0.000) 2.746 28.378 ( -0.173 0.000 0.000) 0.173 28.392 ( -0.360 0.000 0.000) 0.360 28.498 ( 4.840 0.000 0.000) 4.840 28.659 ( -2.389 0.000 0.000) 2.389 28.747 ( 1.366 0.000 0.000) 1.366 28.825 ( -1.784 0.000 0.000) 1.784 28.964 ( 1.725 0.000 0.000) 1.725 29.024 ( -0.789 0.000 0.000) 0.789 29.447 ( 3.256 0.000 0.000) 3.256 29.575 ( 7.098 0.000 0.000) 7.098 29.623 ( -3.735 0.000 0.000) 3.735 29.875 ( -0.569 0.000 0.000) 0.569 29.920 ( -0.302 0.000 0.000) 0.302 30.078 ( -9.761 0.000 0.000) 9.761 30.224 ( -2.026 0.000 0.000) 2.026 30.272 ( -1.302 0.000 0.000) 1.302 30.493 ( -0.132 0.000 0.000) 0.132 30.494 ( -0.337 0.000 0.000) 0.337 30.592 ( 0.384 0.000 0.000) 0.384 30.595 ( 1.056 0.000 0.000) 1.056 31.925 ( 8.615 0.000 0.000) 8.615 32.164 ( 6.867 0.000 0.000) 6.867 32.183 ( -4.200 0.000 0.000) 4.200 32.298 ( 1.821 0.000 0.000) 1.821 32.356 ( -0.800 0.000 0.000) 0.800 32.539 ( -7.057 0.000 0.000) 7.057 32.832 ( 0.813 0.000 0.000) 0.813 32.864 ( -0.612 0.000 0.000) 0.612 ======================= Grid point 2 (3/45) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( -28.109 0.000 0.000) 28.109 1.415 ( 28.109 0.000 0.000) 28.109 1.476 ( -32.581 0.000 0.000) 32.581 1.476 ( 32.581 0.000 0.000) 32.581 2.231 ( -12.956 0.000 0.000) 12.956 2.231 ( 12.956 0.000 0.000) 12.956 2.434 ( -42.288 0.000 0.000) 42.288 2.434 ( 42.288 0.000 0.000) 42.288 2.577 ( -0.163 0.000 0.000) 0.163 2.577 ( 0.163 0.000 0.000) 0.163 2.729 ( -1.317 0.000 0.000) 1.317 2.729 ( 1.317 0.000 0.000) 1.317 2.873 ( -6.404 0.000 0.000) 6.404 2.873 ( 6.404 0.000 0.000) 6.404 3.117 ( -3.723 0.000 0.000) 3.723 3.117 ( 3.723 0.000 0.000) 3.723 3.305 ( -2.389 0.000 0.000) 2.389 3.305 ( 2.389 0.000 0.000) 2.389 3.508 ( -7.485 0.000 0.000) 7.485 3.508 ( 7.485 0.000 0.000) 7.485 3.566 ( -13.043 0.000 0.000) 13.043 3.566 ( 13.043 0.000 0.000) 13.043 3.679 ( -2.504 0.000 0.000) 2.504 3.679 ( 2.504 0.000 0.000) 2.504 3.818 ( -2.961 0.000 0.000) 2.961 3.818 ( 2.961 0.000 0.000) 2.961 4.070 ( -4.748 0.000 0.000) 4.748 4.070 ( 4.748 0.000 0.000) 4.748 4.229 ( -8.023 0.000 0.000) 8.023 4.229 ( 8.023 0.000 0.000) 8.023 4.591 ( -3.380 0.000 0.000) 3.380 4.591 ( 3.380 0.000 0.000) 3.380 4.678 ( -5.916 0.000 0.000) 5.916 4.678 ( 5.916 0.000 0.000) 5.916 4.743 ( -5.463 0.000 0.000) 5.463 4.743 ( 5.463 0.000 0.000) 5.463 5.148 ( -3.832 0.000 0.000) 3.832 5.148 ( 3.832 0.000 0.000) 3.832 5.172 ( -6.561 0.000 0.000) 6.561 5.172 ( 6.561 0.000 0.000) 6.561 5.383 ( -0.572 0.000 0.000) 0.572 5.383 ( 0.572 0.000 0.000) 0.572 5.575 ( -0.032 0.000 0.000) 0.032 5.575 ( 0.032 0.000 0.000) 0.032 5.681 ( -1.512 0.000 0.000) 1.512 5.681 ( 1.512 0.000 0.000) 1.512 5.814 ( -0.466 0.000 0.000) 0.466 5.814 ( 0.466 0.000 0.000) 0.466 5.858 ( -1.456 0.000 0.000) 1.456 5.858 ( 1.456 0.000 0.000) 1.456 6.249 ( -5.565 0.000 0.000) 5.565 6.249 ( 5.565 0.000 0.000) 5.565 6.328 ( -1.482 0.000 0.000) 1.482 6.328 ( 1.482 0.000 0.000) 1.482 6.366 ( -3.005 0.000 0.000) 3.005 6.366 ( 3.005 0.000 0.000) 3.005 6.634 ( -5.328 0.000 0.000) 5.328 6.634 ( 5.328 0.000 0.000) 5.328 6.833 ( -2.729 0.000 0.000) 2.729 6.833 ( 2.729 0.000 0.000) 2.729 7.200 ( -1.334 0.000 0.000) 1.334 7.200 ( 1.334 0.000 0.000) 1.334 7.385 ( -4.686 0.000 0.000) 4.686 7.385 ( 4.686 0.000 0.000) 4.686 7.512 ( -1.697 0.000 0.000) 1.697 7.512 ( 1.697 0.000 0.000) 1.697 7.671 ( -6.258 0.000 0.000) 6.258 7.671 ( 6.258 0.000 0.000) 6.258 7.826 ( -4.390 0.000 0.000) 4.390 7.826 ( 4.390 0.000 0.000) 4.390 7.905 ( -6.147 0.000 0.000) 6.147 7.905 ( 6.147 0.000 0.000) 6.147 8.177 ( -1.813 0.000 0.000) 1.813 8.177 ( 1.813 0.000 0.000) 1.813 8.368 ( -1.973 0.000 0.000) 1.973 8.368 ( 1.973 0.000 0.000) 1.973 8.557 ( -4.732 0.000 0.000) 4.732 8.557 ( 4.732 0.000 0.000) 4.732 8.714 ( -2.006 0.000 0.000) 2.006 8.714 ( 2.006 0.000 0.000) 2.006 8.838 ( -5.582 0.000 0.000) 5.582 8.838 ( 5.582 0.000 0.000) 5.582 8.970 ( -0.345 0.000 0.000) 0.345 8.970 ( 0.345 0.000 0.000) 0.345 9.393 ( -3.904 0.000 0.000) 3.904 9.393 ( 3.904 0.000 0.000) 3.904 9.518 ( -3.625 0.000 0.000) 3.625 9.518 ( 3.625 0.000 0.000) 3.625 9.570 ( -0.165 0.000 0.000) 0.165 9.570 ( 0.165 0.000 0.000) 0.165 9.874 ( -1.662 0.000 0.000) 1.662 9.874 ( 1.662 0.000 0.000) 1.662 9.918 ( -0.175 0.000 0.000) 0.175 9.918 ( 0.175 0.000 0.000) 0.175 10.098 ( -0.937 0.000 0.000) 0.937 10.098 ( 0.937 0.000 0.000) 0.937 10.129 ( -1.165 0.000 0.000) 1.165 10.129 ( 1.165 0.000 0.000) 1.165 10.779 ( -6.071 0.000 0.000) 6.071 10.779 ( 6.071 0.000 0.000) 6.071 10.888 ( -8.899 0.000 0.000) 8.899 10.888 ( 8.899 0.000 0.000) 8.899 11.077 ( -6.237 0.000 0.000) 6.237 11.077 ( 6.237 0.000 0.000) 6.237 11.292 ( -3.309 0.000 0.000) 3.309 11.292 ( 3.309 0.000 0.000) 3.309 11.497 ( -5.675 0.000 0.000) 5.675 11.497 ( 5.675 0.000 0.000) 5.675 11.777 ( -1.847 0.000 0.000) 1.847 11.777 ( 1.847 0.000 0.000) 1.847 11.975 ( -0.080 0.000 0.000) 0.080 11.975 ( 0.080 0.000 0.000) 0.080 13.210 ( -7.204 0.000 0.000) 7.204 13.210 ( 7.204 0.000 0.000) 7.204 13.983 ( -1.022 0.000 0.000) 1.022 13.983 ( 1.022 0.000 0.000) 1.022 14.409 ( -4.151 0.000 0.000) 4.151 14.409 ( 4.151 0.000 0.000) 4.151 14.772 ( -0.799 0.000 0.000) 0.799 14.772 ( 0.799 0.000 0.000) 0.799 15.239 ( -0.449 0.000 0.000) 0.449 15.239 ( 0.449 0.000 0.000) 0.449 15.302 ( -0.844 0.000 0.000) 0.844 15.302 ( 0.844 0.000 0.000) 0.844 15.503 ( -4.216 0.000 0.000) 4.216 15.503 ( 4.216 0.000 0.000) 4.216 15.626 ( -1.308 0.000 0.000) 1.308 15.626 ( 1.308 0.000 0.000) 1.308 16.076 ( -1.049 0.000 0.000) 1.049 16.076 ( 1.049 0.000 0.000) 1.049 16.145 ( -1.277 0.000 0.000) 1.277 16.145 ( 1.277 0.000 0.000) 1.277 16.322 ( -2.472 0.000 0.000) 2.472 16.322 ( 2.472 0.000 0.000) 2.472 16.468 ( -3.886 0.000 0.000) 3.886 16.468 ( 3.886 0.000 0.000) 3.886 17.026 ( -1.766 0.000 0.000) 1.766 17.026 ( 1.766 0.000 0.000) 1.766 17.251 ( -0.724 0.000 0.000) 0.724 17.251 ( 0.724 0.000 0.000) 0.724 17.419 ( -0.473 0.000 0.000) 0.473 17.419 ( 0.473 0.000 0.000) 0.473 17.525 ( -0.921 0.000 0.000) 0.921 17.525 ( 0.921 0.000 0.000) 0.921 18.021 ( -3.350 0.000 0.000) 3.350 18.021 ( 3.350 0.000 0.000) 3.350 18.168 ( -3.806 0.000 0.000) 3.806 18.168 ( 3.806 0.000 0.000) 3.806 18.658 ( -3.192 0.000 0.000) 3.192 18.658 ( 3.192 0.000 0.000) 3.192 19.287 ( -0.324 0.000 0.000) 0.324 19.287 ( 0.324 0.000 0.000) 0.324 20.218 ( -3.262 0.000 0.000) 3.262 20.218 ( 3.262 0.000 0.000) 3.262 20.734 ( -0.268 0.000 0.000) 0.268 20.734 ( 0.268 0.000 0.000) 0.268 21.815 ( -0.653 0.000 0.000) 0.653 21.815 ( 0.653 0.000 0.000) 0.653 23.180 ( -0.327 0.000 0.000) 0.327 23.180 ( 0.327 0.000 0.000) 0.327 28.050 ( -1.446 0.000 0.000) 1.446 28.050 ( 1.446 0.000 0.000) 1.446 28.250 ( -2.341 0.000 0.000) 2.341 28.250 ( 2.341 0.000 0.000) 2.341 28.383 ( -0.459 0.000 0.000) 0.459 28.383 ( 0.459 0.000 0.000) 0.459 28.592 ( -4.327 0.000 0.000) 4.327 28.592 ( 4.327 0.000 0.000) 4.327 28.783 ( -2.158 0.000 0.000) 2.158 28.783 ( 2.158 0.000 0.000) 2.158 29.000 ( -1.643 0.000 0.000) 1.643 29.000 ( 1.643 0.000 0.000) 1.643 29.532 ( -4.935 0.000 0.000) 4.935 29.532 ( 4.935 0.000 0.000) 4.935 29.772 ( -11.427 0.000 0.000) 11.427 29.772 ( 11.427 0.000 0.000) 11.427 29.922 ( -1.459 0.000 0.000) 1.459 29.922 ( 1.459 0.000 0.000) 1.459 30.239 ( -1.818 0.000 0.000) 1.818 30.239 ( 1.818 0.000 0.000) 1.818 30.492 ( -0.016 0.000 0.000) 0.016 30.492 ( 0.016 0.000 0.000) 0.016 30.600 ( -0.274 0.000 0.000) 0.274 30.600 ( 0.274 0.000 0.000) 0.274 32.079 ( -6.437 0.000 0.000) 6.437 32.079 ( 6.437 0.000 0.000) 6.437 32.324 ( -1.033 0.000 0.000) 1.033 32.324 ( 1.033 0.000 0.000) 1.033 32.361 ( -8.339 0.000 0.000) 8.339 32.361 ( 8.339 0.000 0.000) 8.339 32.849 ( -0.851 0.000 0.000) 0.851 32.849 ( 0.851 0.000 0.000) 0.851 ======================= Grid point 5 (4/45) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.684 ( 0.000 36.000 0.000) 36.000 0.792 ( 0.000 39.611 0.000) 39.611 1.314 ( 0.000 62.628 0.000) 62.628 1.767 ( 0.000 9.070 0.000) 9.070 1.942 ( 0.000 12.643 0.000) 12.643 2.266 ( 0.000 1.193 0.000) 1.193 2.407 ( 0.000 -2.988 0.000) 2.988 2.621 ( 0.000 0.485 0.000) 0.485 2.692 ( 0.000 6.755 0.000) 6.755 2.717 ( 0.000 0.547 0.000) 0.547 2.871 ( 0.000 4.393 0.000) 4.393 2.914 ( 0.000 0.417 0.000) 0.417 2.982 ( 0.000 -2.122 0.000) 2.122 3.049 ( 0.000 -6.811 0.000) 6.811 3.144 ( 0.000 3.110 0.000) 3.110 3.177 ( 0.000 1.646 0.000) 1.646 3.223 ( 0.000 -6.731 0.000) 6.731 3.336 ( 0.000 -0.357 0.000) 0.357 3.440 ( 0.000 7.651 0.000) 7.651 3.450 ( 0.000 1.481 0.000) 1.481 3.488 ( 0.000 -8.352 0.000) 8.352 3.691 ( 0.000 -6.524 0.000) 6.524 3.726 ( 0.000 -12.658 0.000) 12.658 3.756 ( 0.000 -3.047 0.000) 3.047 3.838 ( 0.000 7.942 0.000) 7.942 3.902 ( 0.000 -5.254 0.000) 5.254 4.158 ( 0.000 -6.428 0.000) 6.428 4.185 ( 0.000 7.462 0.000) 7.462 4.225 ( 0.000 -4.200 0.000) 4.200 4.239 ( 0.000 1.965 0.000) 1.965 4.491 ( 0.000 10.035 0.000) 10.035 4.572 ( 0.000 -7.402 0.000) 7.402 4.670 ( 0.000 -0.797 0.000) 0.797 4.736 ( 0.000 -15.524 0.000) 15.524 4.767 ( 0.000 1.169 0.000) 1.169 4.836 ( 0.000 22.172 0.000) 22.172 5.087 ( 0.000 -2.622 0.000) 2.622 5.108 ( 0.000 5.614 0.000) 5.614 5.145 ( 0.000 -6.115 0.000) 6.115 5.226 ( 0.000 -8.296 0.000) 8.296 5.315 ( 0.000 -8.791 0.000) 8.791 5.342 ( 0.000 -1.438 0.000) 1.438 5.370 ( 0.000 -0.642 0.000) 0.642 5.457 ( 0.000 3.397 0.000) 3.397 5.666 ( 0.000 8.644 0.000) 8.644 5.714 ( 0.000 4.076 0.000) 4.076 5.788 ( 0.000 -9.562 0.000) 9.562 5.899 ( 0.000 17.497 0.000) 17.497 5.918 ( 0.000 -8.216 0.000) 8.216 6.017 ( 0.000 5.787 0.000) 5.787 6.096 ( 0.000 -1.519 0.000) 1.519 6.142 ( 0.000 0.836 0.000) 0.836 6.225 ( 0.000 10.136 0.000) 10.136 6.304 ( 0.000 -6.552 0.000) 6.552 6.554 ( 0.000 -0.556 0.000) 0.556 6.676 ( 0.000 4.980 0.000) 4.980 6.784 ( 0.000 -3.526 0.000) 3.526 6.832 ( 0.000 4.728 0.000) 4.728 6.881 ( 0.000 2.918 0.000) 2.918 6.924 ( 0.000 1.391 0.000) 1.391 7.002 ( 0.000 -1.497 0.000) 1.497 7.141 ( 0.000 -3.806 0.000) 3.806 7.226 ( 0.000 -2.692 0.000) 2.692 7.369 ( 0.000 1.011 0.000) 1.011 7.459 ( 0.000 -13.261 0.000) 13.261 7.480 ( 0.000 3.343 0.000) 3.343 7.562 ( 0.000 -9.427 0.000) 9.427 7.616 ( 0.000 -4.442 0.000) 4.442 7.669 ( 0.000 5.546 0.000) 5.546 7.880 ( 0.000 0.293 0.000) 0.293 7.998 ( 0.000 -1.591 0.000) 1.591 8.082 ( 0.000 -6.456 0.000) 6.456 8.132 ( 0.000 -9.179 0.000) 9.179 8.259 ( 0.000 3.129 0.000) 3.129 8.292 ( 0.000 0.791 0.000) 0.791 8.299 ( 0.000 5.151 0.000) 5.151 8.477 ( 0.000 0.663 0.000) 0.663 8.600 ( 0.000 0.248 0.000) 0.248 8.638 ( 0.000 2.227 0.000) 2.227 8.703 ( 0.000 3.980 0.000) 3.980 8.756 ( 0.000 3.520 0.000) 3.520 8.911 ( 0.000 -2.751 0.000) 2.751 8.926 ( 0.000 6.895 0.000) 6.895 8.977 ( 0.000 7.440 0.000) 7.440 9.264 ( 0.000 -2.266 0.000) 2.266 9.322 ( 0.000 -4.304 0.000) 4.304 9.505 ( 0.000 2.800 0.000) 2.800 9.532 ( 0.000 4.163 0.000) 4.163 9.617 ( 0.000 3.507 0.000) 3.507 9.669 ( 0.000 -1.009 0.000) 1.009 9.729 ( 0.000 0.306 0.000) 0.306 9.788 ( 0.000 -1.983 0.000) 1.983 9.930 ( 0.000 1.573 0.000) 1.573 9.992 ( 0.000 1.326 0.000) 1.326 10.184 ( 0.000 5.069 0.000) 5.069 10.244 ( 0.000 0.545 0.000) 0.545 10.325 ( 0.000 6.278 0.000) 6.278 10.372 ( 0.000 -3.827 0.000) 3.827 10.560 ( 0.000 -0.972 0.000) 0.972 10.659 ( 0.000 -4.239 0.000) 4.239 10.706 ( 0.000 5.101 0.000) 5.101 10.726 ( 0.000 0.842 0.000) 0.842 11.030 ( 0.000 5.875 0.000) 5.875 11.195 ( 0.000 0.959 0.000) 0.959 11.319 ( 0.000 -2.380 0.000) 2.380 11.342 ( 0.000 -0.947 0.000) 0.947 11.418 ( 0.000 -4.991 0.000) 4.991 11.479 ( 0.000 -0.910 0.000) 0.910 11.519 ( 0.000 -1.267 0.000) 1.267 11.850 ( 0.000 5.258 0.000) 5.258 12.020 ( 0.000 1.459 0.000) 1.459 12.409 ( 0.000 -13.017 0.000) 13.017 13.065 ( 0.000 3.260 0.000) 3.260 13.417 ( 0.000 1.120 0.000) 1.120 13.825 ( 0.000 -12.542 0.000) 12.542 13.942 ( 0.000 -1.356 0.000) 1.356 14.616 ( 0.000 7.281 0.000) 7.281 14.736 ( 0.000 5.177 0.000) 5.177 14.757 ( 0.000 -1.019 0.000) 1.019 14.851 ( 0.000 3.223 0.000) 3.223 14.895 ( 0.000 -0.542 0.000) 0.542 15.246 ( 0.000 1.066 0.000) 1.066 15.281 ( 0.000 3.658 0.000) 3.658 15.351 ( 0.000 -3.951 0.000) 3.951 15.426 ( 0.000 3.553 0.000) 3.553 15.533 ( 0.000 -4.278 0.000) 4.278 15.577 ( 0.000 -6.401 0.000) 6.401 15.625 ( 0.000 0.311 0.000) 0.311 16.046 ( 0.000 -1.472 0.000) 1.472 16.101 ( 0.000 -2.992 0.000) 2.992 16.107 ( 0.000 -3.399 0.000) 3.399 16.175 ( 0.000 -1.297 0.000) 1.297 16.276 ( 0.000 4.197 0.000) 4.197 16.378 ( 0.000 4.042 0.000) 4.042 16.390 ( 0.000 2.536 0.000) 2.536 16.509 ( 0.000 -2.870 0.000) 2.870 17.031 ( 0.000 1.964 0.000) 1.964 17.097 ( 0.000 -1.608 0.000) 1.608 17.220 ( 0.000 1.385 0.000) 1.385 17.254 ( 0.000 -0.682 0.000) 0.682 17.327 ( 0.000 -2.376 0.000) 2.376 17.415 ( 0.000 1.967 0.000) 1.967 17.422 ( 0.000 -0.425 0.000) 0.425 17.585 ( 0.000 1.760 0.000) 1.760 17.963 ( 0.000 1.968 0.000) 1.968 18.019 ( 0.000 2.158 0.000) 2.158 18.284 ( 0.000 4.422 0.000) 4.422 18.494 ( 0.000 0.876 0.000) 0.876 18.633 ( 0.000 4.566 0.000) 4.566 18.773 ( 0.000 1.651 0.000) 1.651 18.929 ( 0.000 -0.653 0.000) 0.653 19.273 ( 0.000 -2.021 0.000) 2.021 20.167 ( 0.000 2.663 0.000) 2.663 20.316 ( 0.000 1.356 0.000) 1.356 20.721 ( 0.000 -2.233 0.000) 2.233 20.976 ( 0.000 -4.572 0.000) 4.572 21.846 ( 0.000 4.524 0.000) 4.524 21.872 ( 0.000 3.661 0.000) 3.661 22.810 ( 0.000 -5.025 0.000) 5.025 23.086 ( 0.000 -8.102 0.000) 8.102 28.025 ( 0.000 1.034 0.000) 1.034 28.138 ( 0.000 -1.020 0.000) 1.020 28.232 ( 0.000 2.854 0.000) 2.854 28.335 ( 0.000 -0.097 0.000) 0.097 28.361 ( 0.000 -1.473 0.000) 1.473 28.423 ( 0.000 0.597 0.000) 0.597 28.462 ( 0.000 3.776 0.000) 3.776 28.651 ( 0.000 0.973 0.000) 0.973 28.726 ( 0.000 -0.541 0.000) 0.541 28.836 ( 0.000 -0.821 0.000) 0.821 28.968 ( 0.000 2.272 0.000) 2.272 29.090 ( 0.000 5.560 0.000) 5.560 29.366 ( 0.000 -5.680 0.000) 5.680 29.585 ( 0.000 -6.533 0.000) 6.533 29.656 ( 0.000 -13.135 0.000) 13.135 29.829 ( 0.000 -4.926 0.000) 4.926 29.968 ( 0.000 2.489 0.000) 2.489 30.077 ( 0.000 -14.104 0.000) 14.104 30.146 ( 0.000 2.748 0.000) 2.748 30.320 ( 0.000 1.642 0.000) 1.642 30.344 ( 0.000 -3.129 0.000) 3.129 30.422 ( 0.000 -5.109 0.000) 5.109 30.617 ( 0.000 7.281 0.000) 7.281 30.747 ( 0.000 10.248 0.000) 10.248 31.820 ( 0.000 -3.481 0.000) 3.481 31.972 ( 0.000 -7.297 0.000) 7.297 32.249 ( 0.000 -0.798 0.000) 0.798 32.329 ( 0.000 11.250 0.000) 11.250 32.443 ( 0.000 -1.454 0.000) 1.454 32.746 ( 0.000 -0.317 0.000) 0.317 32.755 ( 0.000 9.488 0.000) 9.488 32.875 ( 0.000 0.916 0.000) 0.916 ======================= Grid point 6 (5/45) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( 26.851 22.610 0.000) 35.103 1.093 ( 25.280 26.977 0.000) 36.971 1.727 ( 27.095 31.177 0.000) 41.306 1.882 ( 5.056 11.947 0.000) 12.973 2.060 ( 5.065 13.325 0.000) 14.256 2.152 ( -3.146 10.714 0.000) 11.166 2.350 ( -0.566 -0.480 0.000) 0.742 2.574 ( -3.681 -0.281 0.000) 3.691 2.675 ( -4.832 0.313 0.000) 4.843 2.703 ( 0.648 1.561 0.000) 1.690 2.770 ( -1.049 4.654 0.000) 4.771 2.922 ( -3.939 0.130 0.000) 3.941 2.956 ( -5.944 3.630 0.000) 6.965 3.030 ( 2.966 0.871 0.000) 3.091 3.131 ( 0.312 -4.310 0.000) 4.321 3.142 ( -2.694 -0.656 0.000) 2.772 3.285 ( 3.584 3.823 0.000) 5.241 3.340 ( -2.255 -0.319 0.000) 2.277 3.417 ( 2.889 0.424 0.000) 2.920 3.495 ( -3.583 1.028 0.000) 3.727 3.523 ( 2.203 0.400 0.000) 2.239 3.595 ( -5.955 -9.648 0.000) 11.338 3.696 ( -4.166 1.485 0.000) 4.423 3.733 ( -2.630 -4.464 0.000) 5.182 3.810 ( -2.709 -1.191 0.000) 2.959 3.896 ( 4.407 -2.386 0.000) 5.011 4.089 ( -3.174 -3.675 0.000) 4.856 4.135 ( -5.153 0.660 0.000) 5.195 4.243 ( -6.831 -1.308 0.000) 6.955 4.303 ( -4.663 6.010 0.000) 7.607 4.413 ( 0.791 -5.945 0.000) 5.998 4.563 ( -0.099 -2.897 0.000) 2.899 4.612 ( -2.568 -2.187 0.000) 3.374 4.696 ( -3.964 -9.780 0.000) 10.553 4.727 ( -1.884 12.913 0.000) 13.050 4.834 ( 5.791 1.171 0.000) 5.908 5.023 ( -3.159 -4.657 0.000) 5.628 5.147 ( 5.098 -0.745 0.000) 5.152 5.203 ( 2.419 3.168 0.000) 3.986 5.283 ( 1.714 -5.353 0.000) 5.621 5.313 ( -0.182 0.373 0.000) 0.415 5.320 ( -3.173 -2.392 0.000) 3.974 5.451 ( 1.655 1.730 0.000) 2.394 5.455 ( 6.724 -6.873 0.000) 9.615 5.663 ( 0.763 5.709 0.000) 5.760 5.689 ( -1.356 -6.914 0.000) 7.046 5.795 ( -2.015 -1.063 0.000) 2.278 5.902 ( -0.924 -5.042 0.000) 5.126 5.915 ( -0.329 13.539 0.000) 13.543 6.017 ( -4.896 4.339 0.000) 6.542 6.070 ( 3.346 2.850 0.000) 4.395 6.193 ( 0.494 -4.043 0.000) 4.073 6.234 ( 2.949 -1.139 0.000) 3.161 6.350 ( 6.000 9.948 0.000) 11.617 6.509 ( -4.094 -0.424 0.000) 4.115 6.649 ( -3.766 1.155 0.000) 3.939 6.695 ( -4.211 9.343 0.000) 10.248 6.707 ( -7.433 -0.469 0.000) 7.448 6.862 ( -4.518 -1.104 0.000) 4.651 6.940 ( -0.560 2.123 0.000) 2.196 7.073 ( 5.230 -2.188 0.000) 5.669 7.161 ( 5.212 -3.699 0.000) 6.391 7.314 ( -0.808 -4.412 0.000) 4.486 7.371 ( 4.523 4.305 0.000) 6.244 7.456 ( 0.167 -9.968 0.000) 9.969 7.506 ( 2.537 0.531 0.000) 2.592 7.599 ( 0.049 -4.312 0.000) 4.312 7.637 ( 2.335 -0.202 0.000) 2.344 7.755 ( 6.232 -4.048 0.000) 7.431 7.891 ( -1.651 1.810 0.000) 2.450 7.935 ( -7.718 -1.898 0.000) 7.948 7.966 ( -2.306 -2.066 0.000) 3.096 8.140 ( -0.176 -4.139 0.000) 4.143 8.218 ( -0.754 -0.697 0.000) 1.027 8.235 ( -4.039 -0.311 0.000) 4.050 8.344 ( -0.838 -4.330 0.000) 4.411 8.505 ( 5.138 3.449 0.000) 6.188 8.643 ( 0.057 2.367 0.000) 2.368 8.721 ( 3.759 6.053 0.000) 7.125 8.747 ( 2.330 -0.690 0.000) 2.430 8.762 ( 3.293 2.750 0.000) 4.290 8.885 ( -2.169 -1.640 0.000) 2.719 8.999 ( 5.424 6.010 0.000) 8.096 9.045 ( 4.628 8.119 0.000) 9.346 9.298 ( 3.544 -1.511 0.000) 3.853 9.374 ( 5.373 -2.812 0.000) 6.065 9.508 ( -1.770 2.368 0.000) 2.956 9.527 ( 1.769 2.947 0.000) 3.437 9.569 ( -1.757 2.635 0.000) 3.167 9.658 ( -4.026 0.252 0.000) 4.034 9.767 ( 3.683 -1.919 0.000) 4.153 9.796 ( 1.272 -1.782 0.000) 2.189 9.930 ( -0.606 0.830 0.000) 1.028 9.958 ( -2.907 2.278 0.000) 3.694 10.165 ( -3.694 1.754 0.000) 4.089 10.185 ( -2.990 3.423 0.000) 4.545 10.209 ( -4.900 1.110 0.000) 5.024 10.274 ( -4.642 6.450 0.000) 7.946 10.649 ( 7.528 -1.418 0.000) 7.660 10.747 ( 4.660 3.908 0.000) 6.082 10.801 ( 6.797 -0.815 0.000) 6.845 10.856 ( 4.050 -12.052 0.000) 12.714 11.000 ( -1.388 2.077 0.000) 2.498 11.173 ( -10.357 -0.497 0.000) 10.369 11.222 ( 1.618 -1.412 0.000) 2.147 11.330 ( -1.424 -1.561 0.000) 2.113 11.410 ( 0.860 -3.097 0.000) 3.214 11.456 ( -2.291 -2.731 0.000) 3.565 11.651 ( 7.972 -2.795 0.000) 8.448 11.845 ( -1.317 2.983 0.000) 3.261 12.021 ( 1.084 3.662 0.000) 3.819 12.248 ( -10.397 1.239 0.000) 10.471 13.114 ( 4.522 2.724 0.000) 5.279 13.357 ( -5.456 0.901 0.000) 5.530 13.826 ( 0.049 -11.320 0.000) 11.320 13.863 ( -3.644 -2.617 0.000) 4.486 14.566 ( -1.187 13.269 0.000) 13.322 14.632 ( -2.454 9.967 0.000) 10.265 14.776 ( 0.191 1.466 0.000) 1.478 14.802 ( -1.752 0.601 0.000) 1.852 15.111 ( 8.476 -9.187 0.000) 12.499 15.262 ( 0.530 1.718 0.000) 1.798 15.275 ( -0.205 0.969 0.000) 0.990 15.325 ( -2.042 -1.558 0.000) 2.569 15.445 ( 1.799 1.652 0.000) 2.443 15.493 ( -1.902 -5.264 0.000) 5.597 15.559 ( -1.776 -5.618 0.000) 5.892 15.599 ( -2.213 -0.314 0.000) 2.235 16.053 ( 0.349 -1.249 0.000) 1.297 16.091 ( -1.015 -2.183 0.000) 2.408 16.120 ( 0.703 -2.298 0.000) 2.403 16.154 ( -1.312 -1.090 0.000) 1.706 16.313 ( 2.781 2.930 0.000) 4.040 16.377 ( 0.258 2.563 0.000) 2.576 16.429 ( 2.079 2.833 0.000) 3.514 16.504 ( -0.708 -1.656 0.000) 1.801 17.028 ( -0.133 1.698 0.000) 1.703 17.069 ( -2.060 -0.582 0.000) 2.141 17.232 ( 0.340 0.063 0.000) 0.346 17.254 ( -0.558 -0.595 0.000) 0.816 17.325 ( 1.281 -3.834 0.000) 4.043 17.384 ( -0.999 -1.804 0.000) 2.062 17.525 ( 4.497 1.602 0.000) 4.774 17.589 ( 0.289 2.080 0.000) 2.100 17.992 ( 2.828 2.453 0.000) 3.744 18.075 ( 4.220 1.886 0.000) 4.623 18.248 ( -4.949 5.667 0.000) 7.524 18.297 ( -7.318 7.449 0.000) 10.442 18.647 ( 1.632 4.038 0.000) 4.355 18.743 ( -2.228 2.343 0.000) 3.233 19.137 ( 8.831 -8.134 0.000) 12.006 19.266 ( -0.749 -2.477 0.000) 2.588 20.188 ( 2.036 2.523 0.000) 3.242 20.293 ( -2.189 1.583 0.000) 2.702 20.722 ( 0.277 -1.806 0.000) 1.827 20.824 ( -7.498 2.781 0.000) 7.997 21.849 ( 0.289 4.398 0.000) 4.407 21.867 ( -0.444 3.856 0.000) 3.882 22.970 ( 7.781 -13.566 0.000) 15.639 23.082 ( -0.538 -8.710 0.000) 8.726 28.036 ( 0.984 0.947 0.000) 1.365 28.103 ( -2.318 0.798 0.000) 2.451 28.241 ( 0.926 2.461 0.000) 2.629 28.308 ( -2.111 0.431 0.000) 2.155 28.367 ( 0.596 -0.685 0.000) 0.909 28.402 ( -1.105 0.862 0.000) 1.401 28.520 ( 4.134 2.185 0.000) 4.676 28.649 ( -1.119 0.279 0.000) 1.153 28.743 ( 1.431 -0.464 0.000) 1.504 28.818 ( -1.686 -0.696 0.000) 1.823 29.011 ( 3.233 3.047 0.000) 4.442 29.085 ( -0.564 5.525 0.000) 5.554 29.397 ( 2.897 -5.901 0.000) 6.574 29.536 ( -3.486 -7.115 0.000) 7.923 29.643 ( 0.908 -1.509 0.000) 1.761 29.824 ( -1.156 -6.483 0.000) 6.585 29.942 ( -3.274 -0.788 0.000) 3.368 29.977 ( -2.740 -1.701 0.000) 3.226 30.076 ( -1.670 -10.660 0.000) 10.790 30.180 ( -8.776 -1.393 0.000) 8.886 30.427 ( 0.866 -5.299 0.000) 5.369 30.472 ( 1.123 -4.979 0.000) 5.104 30.644 ( 3.057 7.937 0.000) 8.505 30.740 ( -0.968 9.535 0.000) 9.584 31.917 ( 8.938 -2.591 0.000) 9.306 32.118 ( 8.973 -5.356 0.000) 10.450 32.207 ( -4.013 -0.550 0.000) 4.050 32.354 ( -0.287 4.394 0.000) 4.403 32.443 ( 2.048 6.351 0.000) 6.673 32.679 ( -6.400 12.086 0.000) 13.676 32.753 ( 0.816 -2.826 0.000) 2.942 32.828 ( -2.932 -1.753 0.000) 3.416 ======================= Grid point 7 (6/45) ======================= q-point: (-0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.554 ( -15.203 11.449 0.000) 19.032 1.554 ( 15.203 11.449 0.000) 19.032 1.645 ( -13.569 15.565 0.000) 20.649 1.645 ( 13.569 15.565 0.000) 20.649 2.211 ( -10.072 2.625 0.000) 10.408 2.211 ( 10.072 2.625 0.000) 10.408 2.584 ( -8.186 3.027 0.000) 8.727 2.584 ( 8.186 3.027 0.000) 8.727 2.663 ( -7.363 6.611 0.000) 9.895 2.663 ( 7.363 6.611 0.000) 9.895 2.840 ( -8.007 12.236 0.000) 14.623 2.840 ( 8.007 12.236 0.000) 14.623 2.899 ( -6.604 6.034 0.000) 8.945 2.899 ( 6.604 6.034 0.000) 8.945 3.161 ( -5.809 3.078 0.000) 6.574 3.161 ( 5.809 3.078 0.000) 6.574 3.278 ( -4.248 -4.906 0.000) 6.490 3.278 ( 4.248 -4.906 0.000) 6.490 3.401 ( -4.317 -0.775 0.000) 4.386 3.401 ( 4.317 -0.775 0.000) 4.386 3.559 ( -0.943 -1.663 0.000) 1.912 3.559 ( 0.943 -1.663 0.000) 1.912 3.679 ( -1.022 -0.099 0.000) 1.026 3.679 ( 1.022 -0.099 0.000) 1.026 3.878 ( -12.383 3.960 0.000) 13.001 3.878 ( 12.383 3.960 0.000) 13.001 4.008 ( -4.107 -4.902 0.000) 6.395 4.008 ( 4.107 -4.902 0.000) 6.395 4.176 ( -4.382 -5.352 0.000) 6.917 4.176 ( 4.382 -5.352 0.000) 6.917 4.531 ( -5.170 -5.608 0.000) 7.627 4.531 ( 5.170 -5.608 0.000) 7.627 4.611 ( -0.869 -3.796 0.000) 3.894 4.611 ( 0.869 -3.796 0.000) 3.894 4.820 ( -1.743 3.582 0.000) 3.984 4.820 ( 1.743 3.582 0.000) 3.984 5.111 ( -4.665 -2.305 0.000) 5.204 5.111 ( 4.665 -2.305 0.000) 5.204 5.221 ( -0.817 2.756 0.000) 2.874 5.221 ( 0.817 2.756 0.000) 2.874 5.333 ( -0.513 -3.293 0.000) 3.333 5.333 ( 0.513 -3.293 0.000) 3.333 5.522 ( -0.499 -4.124 0.000) 4.154 5.522 ( 0.499 -4.124 0.000) 4.154 5.675 ( -0.213 -1.951 0.000) 1.963 5.675 ( 0.213 -1.951 0.000) 1.963 5.799 ( -4.516 1.223 0.000) 4.678 5.799 ( 4.516 1.223 0.000) 4.678 5.934 ( -0.585 5.144 0.000) 5.177 5.934 ( 0.585 5.144 0.000) 5.177 6.183 ( -3.144 -1.810 0.000) 3.627 6.183 ( 3.144 -1.810 0.000) 3.627 6.324 ( -2.501 -1.967 0.000) 3.182 6.324 ( 2.501 -1.967 0.000) 3.182 6.525 ( -6.221 7.579 0.000) 9.805 6.525 ( 6.221 7.579 0.000) 9.805 6.644 ( -3.922 6.055 0.000) 7.214 6.644 ( 3.922 6.055 0.000) 7.214 6.867 ( -2.150 2.533 0.000) 3.322 6.867 ( 2.150 2.533 0.000) 3.322 7.177 ( -2.789 -3.075 0.000) 4.152 7.177 ( 2.789 -3.075 0.000) 4.152 7.349 ( -2.343 -4.197 0.000) 4.807 7.349 ( 2.343 -4.197 0.000) 4.807 7.513 ( -0.348 0.348 0.000) 0.492 7.513 ( 0.348 0.348 0.000) 0.492 7.655 ( -1.879 -3.044 0.000) 3.577 7.655 ( 1.879 -3.044 0.000) 3.577 7.789 ( -0.654 -5.654 0.000) 5.692 7.789 ( 0.654 -5.654 0.000) 5.692 7.933 ( -0.950 5.663 0.000) 5.742 7.933 ( 0.950 5.663 0.000) 5.742 8.145 ( -0.486 -2.128 0.000) 2.183 8.145 ( 0.486 -2.128 0.000) 2.183 8.283 ( -3.741 -7.223 0.000) 8.134 8.283 ( 3.741 -7.223 0.000) 8.134 8.604 ( -1.370 4.000 0.000) 4.228 8.604 ( 1.370 4.000 0.000) 4.228 8.767 ( -0.129 2.825 0.000) 2.827 8.767 ( 0.129 2.825 0.000) 2.827 8.828 ( -2.878 1.820 0.000) 3.406 8.828 ( 2.878 1.820 0.000) 3.406 9.079 ( -0.421 6.923 0.000) 6.936 9.079 ( 0.421 6.923 0.000) 6.936 9.402 ( -5.521 1.200 0.000) 5.650 9.402 ( 5.521 1.200 0.000) 5.650 9.526 ( -1.717 -0.904 0.000) 1.941 9.526 ( 1.717 -0.904 0.000) 1.941 9.567 ( -0.629 2.457 0.000) 2.537 9.567 ( 0.629 2.457 0.000) 2.537 9.830 ( -0.008 -2.498 0.000) 2.498 9.830 ( 0.008 -2.498 0.000) 2.498 9.906 ( -0.241 -0.513 0.000) 0.566 9.906 ( 0.241 -0.513 0.000) 0.566 10.123 ( -0.261 0.070 0.000) 0.270 10.123 ( 0.261 0.070 0.000) 0.270 10.202 ( -0.461 7.061 0.000) 7.076 10.202 ( 0.461 7.061 0.000) 7.076 10.792 ( -3.237 -2.729 0.000) 4.234 10.792 ( 3.237 -2.729 0.000) 4.234 10.883 ( -1.477 0.301 0.000) 1.507 10.883 ( 1.477 0.301 0.000) 1.507 10.993 ( -2.785 -2.834 0.000) 3.973 10.993 ( 2.785 -2.834 0.000) 3.973 11.280 ( -1.814 -1.625 0.000) 2.435 11.280 ( 1.814 -1.625 0.000) 2.435 11.423 ( -0.220 -3.330 0.000) 3.338 11.423 ( 0.220 -3.330 0.000) 3.338 11.781 ( -4.395 -1.182 0.000) 4.551 11.781 ( 4.395 -1.182 0.000) 4.551 12.090 ( -1.003 5.746 0.000) 5.833 12.090 ( 1.003 5.746 0.000) 5.833 13.229 ( -2.300 1.859 0.000) 2.957 13.229 ( 2.300 1.859 0.000) 2.957 13.829 ( -0.008 -8.351 0.000) 8.351 13.829 ( 0.008 -8.351 0.000) 8.351 14.587 ( -0.160 11.532 0.000) 11.533 14.587 ( 0.160 11.532 0.000) 11.533 14.780 ( -0.187 0.897 0.000) 0.916 14.780 ( 0.187 0.897 0.000) 0.916 15.225 ( -0.580 -4.167 0.000) 4.208 15.225 ( 0.580 -4.167 0.000) 4.208 15.293 ( -0.072 1.003 0.000) 1.005 15.293 ( 0.072 1.003 0.000) 1.005 15.473 ( -0.042 -4.238 0.000) 4.238 15.473 ( 0.042 -4.238 0.000) 4.238 15.551 ( -0.182 -1.885 0.000) 1.894 15.551 ( 0.182 -1.885 0.000) 1.894 16.067 ( -0.363 -1.087 0.000) 1.146 16.067 ( 0.363 -1.087 0.000) 1.146 16.134 ( -0.102 -1.368 0.000) 1.372 16.134 ( 0.102 -1.368 0.000) 1.372 16.362 ( -0.275 2.317 0.000) 2.334 16.362 ( 0.275 2.317 0.000) 2.334 16.474 ( -0.578 0.951 0.000) 1.113 16.474 ( 0.578 0.951 0.000) 1.113 17.036 ( -0.462 0.799 0.000) 0.923 17.036 ( 0.462 0.799 0.000) 0.923 17.240 ( -0.053 -0.941 0.000) 0.943 17.240 ( 0.053 -0.941 0.000) 0.943 17.358 ( -1.034 -3.126 0.000) 3.292 17.358 ( 1.034 -3.126 0.000) 3.292 17.581 ( -0.289 2.613 0.000) 2.629 17.581 ( 0.289 2.613 0.000) 2.629 18.072 ( -2.438 4.080 0.000) 4.753 18.072 ( 2.438 4.080 0.000) 4.753 18.215 ( -1.062 4.270 0.000) 4.400 18.215 ( 1.062 4.270 0.000) 4.400 18.692 ( -0.452 3.201 0.000) 3.232 18.692 ( 0.452 3.201 0.000) 3.232 19.237 ( -0.358 -4.342 0.000) 4.357 19.237 ( 0.358 -4.342 0.000) 4.357 20.240 ( -2.918 2.130 0.000) 3.612 20.240 ( 2.918 2.130 0.000) 3.612 20.740 ( -0.391 -0.059 0.000) 0.395 20.740 ( 0.391 -0.059 0.000) 0.395 21.857 ( -0.011 4.117 0.000) 4.117 21.857 ( 0.011 4.117 0.000) 4.117 23.058 ( -0.353 -10.771 0.000) 10.777 23.058 ( 0.353 -10.771 0.000) 10.777 28.063 ( -0.813 0.954 0.000) 1.254 28.063 ( 0.813 0.954 0.000) 1.254 28.268 ( -0.393 1.552 0.000) 1.601 28.268 ( 0.393 1.552 0.000) 1.601 28.382 ( -0.135 0.083 0.000) 0.158 28.382 ( 0.135 0.083 0.000) 0.158 28.600 ( -3.594 1.138 0.000) 3.770 28.600 ( 3.594 1.138 0.000) 3.770 28.778 ( -0.797 -0.498 0.000) 0.939 28.778 ( 0.797 -0.498 0.000) 0.939 29.063 ( -0.318 5.135 0.000) 5.145 29.063 ( 0.318 5.135 0.000) 5.145 29.466 ( -2.812 -6.546 0.000) 7.124 29.466 ( 2.812 -6.546 0.000) 7.124 29.737 ( -7.002 -4.126 0.000) 8.127 29.737 ( 7.002 -4.126 0.000) 8.127 29.924 ( -0.143 -2.220 0.000) 2.225 29.924 ( 0.143 -2.220 0.000) 2.225 30.075 ( -0.600 -7.109 0.000) 7.134 30.075 ( 0.600 -7.109 0.000) 7.134 30.453 ( -0.499 -4.846 0.000) 4.872 30.453 ( 0.499 -4.846 0.000) 4.872 30.704 ( -2.519 8.455 0.000) 8.822 30.704 ( 2.519 8.455 0.000) 8.822 32.092 ( -6.433 -1.215 0.000) 6.547 32.092 ( 6.433 -1.215 0.000) 6.547 32.276 ( -6.585 -1.478 0.000) 6.749 32.276 ( 6.585 -1.478 0.000) 6.749 32.542 ( -5.397 12.730 0.000) 13.827 32.542 ( 5.397 12.730 0.000) 13.827 32.780 ( -0.176 -4.373 0.000) 4.376 32.780 ( 0.176 -4.373 0.000) 4.376 ======================= Grid point 10 (7/45) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( 0.000 34.400 0.000) 34.400 1.487 ( 0.000 28.287 0.000) 28.287 1.931 ( 0.000 11.132 0.000) 11.132 2.103 ( 0.000 4.044 0.000) 4.044 2.277 ( 0.000 1.737 0.000) 1.737 2.323 ( 0.000 17.669 0.000) 17.669 2.494 ( 0.000 23.632 0.000) 23.632 2.611 ( 0.000 -3.156 0.000) 3.156 2.771 ( 0.000 -5.829 0.000) 5.829 2.791 ( 0.000 8.352 0.000) 8.352 2.945 ( 0.000 0.931 0.000) 0.931 2.952 ( 0.000 8.535 0.000) 8.535 2.962 ( 0.000 3.563 0.000) 3.563 2.966 ( 0.000 -1.831 0.000) 1.831 3.039 ( 0.000 -6.657 0.000) 6.657 3.139 ( 0.000 -9.610 0.000) 9.610 3.226 ( 0.000 3.309 0.000) 3.309 3.322 ( 0.000 -1.715 0.000) 1.715 3.414 ( 0.000 -2.240 0.000) 2.240 3.463 ( 0.000 1.890 0.000) 1.890 3.472 ( 0.000 -4.183 0.000) 4.183 3.572 ( 0.000 2.584 0.000) 2.584 3.600 ( 0.000 2.617 0.000) 2.617 3.774 ( 0.000 2.585 0.000) 2.585 3.812 ( 0.000 -5.186 0.000) 5.186 3.922 ( 0.000 -17.166 0.000) 17.166 4.038 ( 0.000 7.477 0.000) 7.477 4.134 ( 0.000 -1.554 0.000) 1.554 4.261 ( 0.000 2.019 0.000) 2.019 4.353 ( 0.000 1.468 0.000) 1.468 4.485 ( 0.000 3.886 0.000) 3.886 4.548 ( 0.000 0.563 0.000) 0.563 4.601 ( 0.000 -3.062 0.000) 3.062 4.692 ( 0.000 -6.955 0.000) 6.955 4.720 ( 0.000 1.860 0.000) 1.860 4.844 ( 0.000 -7.847 0.000) 7.847 5.011 ( 0.000 -6.771 0.000) 6.771 5.015 ( 0.000 -9.150 0.000) 9.150 5.094 ( 0.000 -6.640 0.000) 6.640 5.246 ( 0.000 -4.985 0.000) 4.985 5.322 ( 0.000 9.599 0.000) 9.599 5.337 ( 0.000 8.097 0.000) 8.097 5.528 ( 0.000 19.061 0.000) 19.061 5.560 ( 0.000 5.745 0.000) 5.745 5.661 ( 0.000 -0.304 0.000) 0.304 5.704 ( 0.000 -8.100 0.000) 8.100 5.761 ( 0.000 0.360 0.000) 0.360 5.884 ( 0.000 11.736 0.000) 11.736 6.065 ( 0.000 -7.678 0.000) 7.678 6.071 ( 0.000 -0.796 0.000) 0.796 6.174 ( 0.000 8.353 0.000) 8.353 6.231 ( 0.000 13.161 0.000) 13.161 6.324 ( 0.000 6.899 0.000) 6.899 6.385 ( 0.000 3.690 0.000) 3.690 6.450 ( 0.000 -7.144 0.000) 7.144 6.674 ( 0.000 -6.278 0.000) 6.278 6.756 ( 0.000 2.996 0.000) 2.996 6.820 ( 0.000 -3.135 0.000) 3.135 6.947 ( 0.000 4.006 0.000) 4.006 6.972 ( 0.000 -19.548 0.000) 19.548 7.001 ( 0.000 -5.295 0.000) 5.295 7.026 ( 0.000 4.431 0.000) 4.431 7.109 ( 0.000 3.330 0.000) 3.330 7.221 ( 0.000 -10.615 0.000) 10.615 7.379 ( 0.000 -1.325 0.000) 1.325 7.472 ( 0.000 -5.593 0.000) 5.593 7.478 ( 0.000 3.330 0.000) 3.330 7.583 ( 0.000 4.047 0.000) 4.047 7.773 ( 0.000 3.735 0.000) 3.735 7.794 ( 0.000 -8.690 0.000) 8.690 7.931 ( 0.000 -5.399 0.000) 5.399 7.942 ( 0.000 -5.002 0.000) 5.002 8.008 ( 0.000 -3.071 0.000) 3.071 8.238 ( 0.000 -4.917 0.000) 4.917 8.315 ( 0.000 1.239 0.000) 1.239 8.394 ( 0.000 3.019 0.000) 3.019 8.514 ( 0.000 3.230 0.000) 3.230 8.554 ( 0.000 -5.023 0.000) 5.023 8.702 ( 0.000 -8.411 0.000) 8.411 8.709 ( 0.000 3.544 0.000) 3.544 8.848 ( 0.000 9.041 0.000) 9.041 8.995 ( 0.000 9.483 0.000) 9.483 9.045 ( 0.000 4.092 0.000) 4.092 9.079 ( 0.000 3.078 0.000) 3.078 9.243 ( 0.000 1.955 0.000) 1.955 9.293 ( 0.000 0.757 0.000) 0.757 9.589 ( 0.000 6.010 0.000) 6.010 9.619 ( 0.000 4.629 0.000) 4.629 9.676 ( 0.000 2.033 0.000) 2.033 9.708 ( 0.000 2.029 0.000) 2.029 9.712 ( 0.000 0.077 0.000) 0.077 9.773 ( 0.000 1.062 0.000) 1.062 9.939 ( 0.000 -0.262 0.000) 0.262 10.031 ( 0.000 2.680 0.000) 2.680 10.264 ( 0.000 1.254 0.000) 1.254 10.282 ( 0.000 -4.553 0.000) 4.553 10.296 ( 0.000 4.623 0.000) 4.623 10.415 ( 0.000 1.906 0.000) 1.906 10.487 ( 0.000 -5.640 0.000) 5.640 10.576 ( 0.000 -3.679 0.000) 3.679 10.791 ( 0.000 5.202 0.000) 5.202 10.833 ( 0.000 7.008 0.000) 7.008 11.117 ( 0.000 1.788 0.000) 1.788 11.243 ( 0.000 2.982 0.000) 2.982 11.254 ( 0.000 -3.893 0.000) 3.893 11.327 ( 0.000 0.046 0.000) 0.046 11.330 ( 0.000 -3.807 0.000) 3.807 11.463 ( 0.000 0.382 0.000) 0.382 11.509 ( 0.000 0.855 0.000) 0.855 11.867 ( 0.000 -3.719 0.000) 3.719 12.049 ( 0.000 -0.730 0.000) 0.730 12.095 ( 0.000 -16.901 0.000) 16.901 13.175 ( 0.000 8.027 0.000) 8.027 13.469 ( 0.000 4.254 0.000) 4.254 13.634 ( 0.000 -5.433 0.000) 5.433 13.881 ( 0.000 -4.852 0.000) 4.852 14.724 ( 0.000 4.329 0.000) 4.329 14.737 ( 0.000 -0.643 0.000) 0.643 14.858 ( 0.000 5.804 0.000) 5.804 14.890 ( 0.000 0.261 0.000) 0.261 14.925 ( 0.000 3.739 0.000) 3.739 15.209 ( 0.000 -6.467 0.000) 6.467 15.296 ( 0.000 1.298 0.000) 1.298 15.365 ( 0.000 3.271 0.000) 3.271 15.439 ( 0.000 -4.042 0.000) 4.042 15.458 ( 0.000 -2.032 0.000) 2.032 15.542 ( 0.000 3.658 0.000) 3.658 15.625 ( 0.000 -0.073 0.000) 0.073 16.032 ( 0.000 0.178 0.000) 0.178 16.032 ( 0.000 -3.245 0.000) 3.245 16.038 ( 0.000 -3.319 0.000) 3.319 16.161 ( 0.000 -0.658 0.000) 0.658 16.333 ( 0.000 1.578 0.000) 1.578 16.427 ( 0.000 -1.723 0.000) 1.723 16.448 ( 0.000 3.042 0.000) 3.042 16.464 ( 0.000 1.259 0.000) 1.259 17.061 ( 0.000 -1.818 0.000) 1.818 17.064 ( 0.000 0.893 0.000) 0.893 17.236 ( 0.000 -0.613 0.000) 0.613 17.260 ( 0.000 2.256 0.000) 2.256 17.285 ( 0.000 -1.775 0.000) 1.775 17.401 ( 0.000 -1.465 0.000) 1.465 17.464 ( 0.000 2.837 0.000) 2.837 17.616 ( 0.000 1.015 0.000) 1.015 18.011 ( 0.000 2.732 0.000) 2.732 18.067 ( 0.000 2.335 0.000) 2.335 18.384 ( 0.000 5.097 0.000) 5.097 18.513 ( 0.000 0.890 0.000) 0.890 18.749 ( 0.000 6.710 0.000) 6.710 18.814 ( 0.000 2.380 0.000) 2.380 18.913 ( 0.000 -0.787 0.000) 0.787 19.215 ( 0.000 -3.834 0.000) 3.834 20.242 ( 0.000 4.806 0.000) 4.806 20.358 ( 0.000 3.030 0.000) 3.030 20.660 ( 0.000 -3.795 0.000) 3.795 20.856 ( 0.000 -7.149 0.000) 7.149 21.967 ( 0.000 7.329 0.000) 7.329 21.975 ( 0.000 6.815 0.000) 6.815 22.673 ( 0.000 -8.503 0.000) 8.503 22.877 ( 0.000 -12.431 0.000) 12.431 28.048 ( 0.000 1.070 0.000) 1.070 28.113 ( 0.000 -1.317 0.000) 1.317 28.299 ( 0.000 3.075 0.000) 3.075 28.328 ( 0.000 -0.530 0.000) 0.530 28.345 ( 0.000 0.448 0.000) 0.448 28.448 ( 0.000 1.801 0.000) 1.801 28.549 ( 0.000 5.036 0.000) 5.036 28.682 ( 0.000 2.050 0.000) 2.050 28.719 ( 0.000 0.084 0.000) 0.084 28.812 ( 0.000 -1.540 0.000) 1.540 29.029 ( 0.000 3.777 0.000) 3.777 29.195 ( 0.000 2.009 0.000) 2.009 29.224 ( 0.000 -8.204 0.000) 8.204 29.381 ( 0.000 -11.310 0.000) 11.310 29.446 ( 0.000 -6.907 0.000) 6.907 29.650 ( 0.000 -12.082 0.000) 12.082 29.829 ( 0.000 -9.873 0.000) 9.873 29.977 ( 0.000 -1.566 0.000) 1.566 30.212 ( 0.000 3.470 0.000) 3.470 30.311 ( 0.000 -0.778 0.000) 0.778 30.394 ( 0.000 2.475 0.000) 2.475 30.405 ( 0.000 6.831 0.000) 6.831 30.715 ( 0.000 2.313 0.000) 2.313 30.889 ( 0.000 3.767 0.000) 3.767 31.730 ( 0.000 -5.151 0.000) 5.151 31.826 ( 0.000 -7.218 0.000) 7.218 32.175 ( 0.000 -4.976 0.000) 4.976 32.422 ( 0.000 -4.113 0.000) 4.113 32.528 ( 0.000 8.239 0.000) 8.239 32.780 ( 0.000 6.188 0.000) 6.188 32.940 ( 0.000 8.685 0.000) 8.685 32.946 ( 0.000 4.926 0.000) 4.926 ======================= Grid point 11 (8/45) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.541 ( 13.290 28.070 0.000) 31.057 1.637 ( 13.455 24.449 0.000) 27.907 2.027 ( -1.336 5.310 0.000) 5.476 2.081 ( 2.695 9.419 0.000) 9.797 2.285 ( 3.013 5.505 0.000) 6.276 2.364 ( -0.476 7.539 0.000) 7.554 2.532 ( -2.741 1.835 0.000) 3.299 2.588 ( -0.377 -0.238 0.000) 0.446 2.655 ( -3.735 4.730 0.000) 6.026 2.826 ( 4.746 12.371 0.000) 13.250 2.926 ( -1.457 1.384 0.000) 2.009 2.938 ( 0.646 2.870 0.000) 2.942 2.960 ( 1.002 2.663 0.000) 2.845 3.043 ( 5.699 1.849 0.000) 5.991 3.116 ( 2.180 1.450 0.000) 2.618 3.161 ( 3.364 -4.607 0.000) 5.704 3.200 ( -0.539 0.742 0.000) 0.917 3.346 ( 1.959 -5.407 0.000) 5.751 3.422 ( 0.523 3.453 0.000) 3.492 3.495 ( 2.059 -1.793 0.000) 2.730 3.502 ( 1.708 0.434 0.000) 1.762 3.559 ( 0.296 3.849 0.000) 3.860 3.619 ( 1.435 -0.845 0.000) 1.666 3.714 ( -4.137 -2.314 0.000) 4.740 3.826 ( 1.275 -3.946 0.000) 4.147 3.940 ( 0.960 -9.598 0.000) 9.646 3.952 ( -3.736 5.144 0.000) 6.357 4.114 ( -3.178 2.823 0.000) 4.251 4.278 ( -1.694 3.293 0.000) 3.703 4.335 ( -1.642 3.288 0.000) 3.675 4.434 ( -17.058 2.942 0.000) 17.309 4.487 ( 0.366 -4.677 0.000) 4.691 4.533 ( -3.996 -2.928 0.000) 4.954 4.627 ( -0.359 3.544 0.000) 3.562 4.761 ( -1.699 -10.410 0.000) 10.548 4.857 ( 5.181 1.322 0.000) 5.348 4.975 ( 2.193 -3.074 0.000) 3.776 5.055 ( -5.791 2.624 0.000) 6.358 5.152 ( 4.142 -10.325 0.000) 11.124 5.230 ( 3.888 -6.801 0.000) 7.834 5.290 ( -2.063 4.622 0.000) 5.061 5.375 ( 2.192 -1.538 0.000) 2.678 5.417 ( -1.605 11.185 0.000) 11.299 5.557 ( -3.506 -0.016 0.000) 3.506 5.661 ( -0.682 4.780 0.000) 4.829 5.736 ( -0.831 2.838 0.000) 2.957 5.771 ( -3.658 0.810 0.000) 3.746 5.789 ( -0.980 -2.273 0.000) 2.476 5.994 ( -0.227 -2.610 0.000) 2.620 6.116 ( -4.746 6.417 0.000) 7.981 6.173 ( -0.585 -4.147 0.000) 4.188 6.238 ( 1.064 8.589 0.000) 8.655 6.270 ( -0.695 7.477 0.000) 7.509 6.389 ( -4.890 -6.399 0.000) 8.054 6.519 ( 0.542 1.845 0.000) 1.923 6.589 ( 5.068 0.747 0.000) 5.123 6.783 ( 0.447 1.099 0.000) 1.186 6.800 ( -2.467 -0.346 0.000) 2.491 6.936 ( -1.109 1.044 0.000) 1.523 6.992 ( 2.072 -4.892 0.000) 5.313 7.015 ( -1.074 6.488 0.000) 6.577 7.085 ( 4.929 -1.220 0.000) 5.077 7.167 ( 6.402 -9.464 0.000) 11.426 7.209 ( -1.068 -8.389 0.000) 8.456 7.431 ( 2.601 -3.165 0.000) 4.096 7.499 ( 2.810 -2.462 0.000) 3.735 7.536 ( 4.557 -0.867 0.000) 4.639 7.594 ( 0.705 3.093 0.000) 3.172 7.737 ( -5.965 0.651 0.000) 6.000 7.844 ( -0.913 -5.995 0.000) 6.064 7.886 ( 1.092 -5.804 0.000) 5.906 7.945 ( 0.886 1.083 0.000) 1.400 8.009 ( 5.718 -4.258 0.000) 7.129 8.201 ( -5.983 -6.719 0.000) 8.997 8.257 ( -4.539 -0.363 0.000) 4.554 8.287 ( -7.644 3.183 0.000) 8.280 8.584 ( 6.273 3.935 0.000) 7.405 8.660 ( 5.748 -2.288 0.000) 6.187 8.721 ( 2.343 -4.324 0.000) 4.918 8.754 ( 2.878 -0.594 0.000) 2.938 8.854 ( 0.729 6.183 0.000) 6.226 8.964 ( -1.861 7.896 0.000) 8.113 9.091 ( 3.638 3.159 0.000) 4.818 9.156 ( 4.136 2.734 0.000) 4.958 9.293 ( 5.225 1.355 0.000) 5.398 9.356 ( 6.180 2.041 0.000) 6.508 9.553 ( -2.408 4.516 0.000) 5.118 9.631 ( -0.945 5.633 0.000) 5.712 9.641 ( -0.420 3.624 0.000) 3.648 9.694 ( -1.749 2.576 0.000) 3.113 9.743 ( 2.108 -0.114 0.000) 2.111 9.797 ( 2.370 2.013 0.000) 3.110 9.928 ( -1.326 -0.801 0.000) 1.549 9.998 ( -3.869 2.242 0.000) 4.472 10.168 ( -7.027 -1.372 0.000) 7.159 10.193 ( -5.892 -0.788 0.000) 5.944 10.302 ( 0.556 4.750 0.000) 4.782 10.373 ( -2.405 3.055 0.000) 3.888 10.564 ( 4.410 -6.320 0.000) 7.706 10.615 ( 2.173 -8.403 0.000) 8.679 10.832 ( 3.608 4.136 0.000) 5.489 10.888 ( 5.574 6.472 0.000) 8.542 11.075 ( -4.604 0.681 0.000) 4.654 11.164 ( -6.074 0.865 0.000) 6.136 11.236 ( -1.312 1.899 0.000) 2.308 11.308 ( -0.559 0.787 0.000) 0.965 11.348 ( 1.887 -1.948 0.000) 2.712 11.436 ( -4.791 -0.346 0.000) 4.804 11.587 ( 7.552 -3.413 0.000) 8.288 11.833 ( -3.618 -3.558 0.000) 5.074 12.059 ( 0.913 -2.078 0.000) 2.270 12.089 ( -0.442 -13.124 0.000) 13.131 13.204 ( 2.816 6.320 0.000) 6.919 13.398 ( -5.818 3.489 0.000) 6.784 13.673 ( 3.721 -2.747 0.000) 4.625 13.853 ( -3.062 -0.218 0.000) 3.070 14.721 ( 0.011 0.945 0.000) 0.945 14.763 ( 2.363 5.579 0.000) 6.059 14.823 ( -4.772 2.540 0.000) 5.406 14.858 ( -0.574 5.182 0.000) 5.214 14.976 ( 4.658 -3.879 0.000) 6.061 15.182 ( -3.447 -7.309 0.000) 8.081 15.301 ( 1.359 1.466 0.000) 1.999 15.375 ( 0.349 4.257 0.000) 4.271 15.403 ( -2.058 -2.449 0.000) 3.199 15.440 ( -2.054 -2.930 0.000) 3.578 15.548 ( 0.684 3.669 0.000) 3.732 15.606 ( -1.644 0.809 0.000) 1.832 16.030 ( 0.183 -1.729 0.000) 1.739 16.038 ( 0.058 -2.285 0.000) 2.285 16.064 ( 2.084 -2.085 0.000) 2.948 16.142 ( -1.657 -0.652 0.000) 1.780 16.343 ( 1.020 0.416 0.000) 1.102 16.396 ( -1.439 -1.372 0.000) 1.988 16.483 ( 1.746 2.533 0.000) 3.076 16.497 ( 2.169 1.350 0.000) 2.555 17.049 ( -0.505 -0.504 0.000) 0.713 17.062 ( -0.533 0.556 0.000) 0.770 17.227 ( -0.701 -0.592 0.000) 0.918 17.248 ( -2.005 -0.598 0.000) 2.092 17.284 ( 1.512 0.096 0.000) 1.515 17.362 ( -2.037 -0.686 0.000) 2.150 17.543 ( 4.629 0.610 0.000) 4.669 17.618 ( 0.032 0.687 0.000) 0.688 18.054 ( 4.172 3.411 0.000) 5.389 18.122 ( 4.590 2.408 0.000) 5.183 18.349 ( -3.654 4.682 0.000) 5.939 18.406 ( -7.428 3.546 0.000) 8.231 18.751 ( 0.669 6.069 0.000) 6.105 18.800 ( -1.188 3.180 0.000) 3.395 19.024 ( 7.503 -3.837 0.000) 8.427 19.199 ( -1.639 -4.147 0.000) 4.459 20.259 ( 1.633 4.531 0.000) 4.817 20.341 ( -1.678 3.303 0.000) 3.705 20.670 ( 1.075 -3.516 0.000) 3.677 20.795 ( -4.887 -4.592 0.000) 6.705 21.968 ( 0.038 7.301 0.000) 7.301 21.973 ( -0.174 6.884 0.000) 6.886 22.732 ( 4.676 -11.245 0.000) 12.179 22.863 ( -1.478 -12.693 0.000) 12.779 28.055 ( 0.751 0.875 0.000) 1.153 28.101 ( -1.125 -0.681 0.000) 1.316 28.293 ( -0.345 1.961 0.000) 1.991 28.311 ( -1.123 -0.198 0.000) 1.140 28.367 ( 1.620 1.353 0.000) 2.111 28.432 ( -1.354 2.244 0.000) 2.621 28.582 ( 2.861 4.045 0.000) 4.954 28.677 ( -0.772 2.423 0.000) 2.543 28.733 ( 1.239 -0.436 0.000) 1.314 28.797 ( -1.410 -1.390 0.000) 1.980 29.072 ( 3.911 3.159 0.000) 5.027 29.186 ( -0.983 1.914 0.000) 2.151 29.244 ( 1.983 -8.845 0.000) 9.065 29.354 ( -2.302 -9.484 0.000) 9.759 29.483 ( 3.375 -8.747 0.000) 9.375 29.631 ( -1.972 -12.056 0.000) 12.216 29.847 ( 1.767 -6.621 0.000) 6.853 29.962 ( -1.801 0.318 0.000) 1.829 30.078 ( -8.012 4.713 0.000) 9.295 30.177 ( -9.372 0.251 0.000) 9.375 30.393 ( 0.443 2.258 0.000) 2.302 30.444 ( -0.170 2.505 0.000) 2.510 30.753 ( 3.414 2.603 0.000) 4.293 30.873 ( -1.714 3.381 0.000) 3.790 31.833 ( 9.075 -5.090 0.000) 10.405 31.974 ( 11.650 -8.378 0.000) 14.350 32.140 ( -3.394 -4.496 0.000) 5.633 32.366 ( -5.328 -3.984 0.000) 6.653 32.586 ( 5.284 6.567 0.000) 8.429 32.782 ( 0.135 5.835 0.000) 5.836 32.869 ( -5.285 7.182 0.000) 8.917 32.913 ( -3.664 8.703 0.000) 9.443 ======================= Grid point 12 (9/45) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.816 ( -7.760 13.935 0.000) 15.950 1.816 ( 7.760 13.935 0.000) 15.950 1.977 ( -5.295 16.069 0.000) 16.919 1.977 ( 5.295 16.069 0.000) 16.919 2.315 ( -2.416 6.937 0.000) 7.346 2.315 ( 2.416 6.937 0.000) 7.346 2.575 ( -3.472 -1.832 0.000) 3.926 2.575 ( 3.472 -1.832 0.000) 3.926 2.733 ( -11.317 0.812 0.000) 11.346 2.733 ( 11.317 0.812 0.000) 11.346 2.921 ( -0.021 -0.526 0.000) 0.526 2.921 ( 0.021 -0.526 0.000) 0.526 3.039 ( -3.146 1.888 0.000) 3.669 3.039 ( 3.146 1.888 0.000) 3.669 3.178 ( -1.882 0.274 0.000) 1.902 3.178 ( 1.882 0.274 0.000) 1.902 3.342 ( -5.375 2.461 0.000) 5.912 3.342 ( 5.375 2.461 0.000) 5.912 3.465 ( -2.752 1.476 0.000) 3.123 3.465 ( 2.752 1.476 0.000) 3.123 3.536 ( -2.904 1.042 0.000) 3.085 3.536 ( 2.904 1.042 0.000) 3.085 3.681 ( -1.066 3.178 0.000) 3.352 3.681 ( 1.066 3.178 0.000) 3.352 3.903 ( -3.146 -1.318 0.000) 3.411 3.903 ( 3.146 -1.318 0.000) 3.411 3.996 ( -4.081 0.928 0.000) 4.185 3.996 ( 4.081 0.928 0.000) 4.185 4.142 ( -1.444 8.013 0.000) 8.142 4.142 ( 1.444 8.013 0.000) 8.142 4.419 ( -4.459 0.233 0.000) 4.465 4.419 ( 4.459 0.233 0.000) 4.465 4.550 ( -1.333 -3.747 0.000) 3.977 4.550 ( 1.333 -3.747 0.000) 3.977 4.829 ( -2.930 -2.608 0.000) 3.922 4.829 ( 2.930 -2.608 0.000) 3.922 5.066 ( -7.165 -0.886 0.000) 7.220 5.066 ( 7.165 -0.886 0.000) 7.220 5.147 ( -7.322 -5.737 0.000) 9.302 5.147 ( 7.322 -5.737 0.000) 9.302 5.362 ( -7.094 2.889 0.000) 7.659 5.362 ( 7.094 2.889 0.000) 7.659 5.530 ( -5.495 -4.898 0.000) 7.361 5.530 ( 5.495 -4.898 0.000) 7.361 5.595 ( -2.999 3.277 0.000) 4.442 5.595 ( 2.999 3.277 0.000) 4.442 5.823 ( -0.872 -0.949 0.000) 1.289 5.823 ( 0.872 -0.949 0.000) 1.289 5.993 ( -0.665 -1.198 0.000) 1.370 5.993 ( 0.665 -1.198 0.000) 1.370 6.206 ( -0.777 4.242 0.000) 4.313 6.206 ( 0.777 4.242 0.000) 4.313 6.278 ( -0.468 0.177 0.000) 0.500 6.278 ( 0.468 0.177 0.000) 0.500 6.623 ( -5.619 4.783 0.000) 7.379 6.623 ( 5.619 4.783 0.000) 7.379 6.768 ( -0.442 -2.681 0.000) 2.718 6.768 ( 0.442 -2.681 0.000) 2.718 6.961 ( -0.572 8.074 0.000) 8.094 6.961 ( 0.572 8.074 0.000) 8.094 7.071 ( -3.992 -6.167 0.000) 7.346 7.071 ( 3.992 -6.167 0.000) 7.346 7.243 ( -0.082 -4.558 0.000) 4.559 7.243 ( 0.082 -4.558 0.000) 4.559 7.492 ( -3.558 -4.221 0.000) 5.521 7.492 ( 3.558 -4.221 0.000) 5.521 7.583 ( -0.332 0.267 0.000) 0.426 7.583 ( 0.332 0.267 0.000) 0.426 7.722 ( -5.753 -1.517 0.000) 5.950 7.722 ( 5.753 -1.517 0.000) 5.950 7.996 ( -0.942 -3.272 0.000) 3.405 7.996 ( 0.942 -3.272 0.000) 3.405 8.094 ( -0.468 -1.883 0.000) 1.940 8.094 ( 0.468 -1.883 0.000) 1.940 8.177 ( -0.701 -1.605 0.000) 1.751 8.177 ( 0.701 -1.605 0.000) 1.751 8.685 ( -0.774 3.670 0.000) 3.751 8.685 ( 0.774 3.670 0.000) 3.751 8.769 ( -1.569 -2.145 0.000) 2.658 8.769 ( 1.569 -2.145 0.000) 2.658 8.908 ( -1.296 3.733 0.000) 3.951 8.908 ( 1.296 3.733 0.000) 3.951 9.163 ( -0.487 2.636 0.000) 2.681 9.163 ( 0.487 2.636 0.000) 2.681 9.418 ( -3.509 0.288 0.000) 3.521 9.418 ( 3.509 0.288 0.000) 3.521 9.558 ( -2.485 4.463 0.000) 5.108 9.558 ( 2.485 4.463 0.000) 5.108 9.659 ( -1.182 6.087 0.000) 6.200 9.659 ( 1.182 6.087 0.000) 6.200 9.815 ( -0.740 0.537 0.000) 0.914 9.815 ( 0.740 0.537 0.000) 0.914 9.907 ( -0.440 0.972 0.000) 1.067 9.907 ( 0.440 0.972 0.000) 1.067 10.105 ( -0.685 -1.877 0.000) 1.998 10.105 ( 0.685 -1.877 0.000) 1.998 10.330 ( -0.288 4.859 0.000) 4.868 10.330 ( 0.288 4.859 0.000) 4.868 10.624 ( -0.107 -9.603 0.000) 9.604 10.624 ( 0.107 -9.603 0.000) 9.604 10.936 ( -3.381 1.895 0.000) 3.876 10.936 ( 3.381 1.895 0.000) 3.876 11.035 ( -3.375 5.405 0.000) 6.372 11.035 ( 3.375 5.405 0.000) 6.372 11.261 ( -0.592 0.703 0.000) 0.919 11.261 ( 0.592 0.703 0.000) 0.919 11.377 ( -0.458 -1.749 0.000) 1.808 11.377 ( 0.458 -1.749 0.000) 1.808 11.729 ( -6.578 -3.849 0.000) 7.621 11.729 ( 6.578 -3.849 0.000) 7.621 12.078 ( -0.043 -6.608 0.000) 6.608 12.078 ( 0.043 -6.608 0.000) 6.608 13.284 ( -0.995 3.876 0.000) 4.002 13.284 ( 0.995 3.876 0.000) 4.002 13.766 ( -0.724 1.397 0.000) 1.574 13.766 ( 0.724 1.397 0.000) 1.574 14.742 ( -0.544 3.019 0.000) 3.067 14.742 ( 0.544 3.019 0.000) 3.067 14.824 ( -0.731 4.263 0.000) 4.325 14.824 ( 0.731 4.263 0.000) 4.325 15.085 ( -1.642 -7.296 0.000) 7.479 15.085 ( 1.642 -7.296 0.000) 7.479 15.343 ( -0.480 1.618 0.000) 1.688 15.343 ( 0.480 1.618 0.000) 1.688 15.403 ( -0.199 -0.874 0.000) 0.897 15.403 ( 0.199 -0.874 0.000) 0.897 15.571 ( -0.557 2.411 0.000) 2.475 15.571 ( 0.557 2.411 0.000) 2.475 16.036 ( -0.008 -1.877 0.000) 1.877 16.036 ( 0.008 -1.877 0.000) 1.877 16.105 ( -0.435 -1.217 0.000) 1.293 16.105 ( 0.435 -1.217 0.000) 1.293 16.369 ( -0.078 -1.137 0.000) 1.139 16.369 ( 0.078 -1.137 0.000) 1.139 16.512 ( -0.059 2.218 0.000) 2.218 16.512 ( 0.059 2.218 0.000) 2.218 17.049 ( -0.105 0.424 0.000) 0.436 17.049 ( 0.105 0.424 0.000) 0.436 17.222 ( -0.020 -0.856 0.000) 0.857 17.222 ( 0.020 -0.856 0.000) 0.857 17.322 ( -0.844 -0.659 0.000) 1.071 17.322 ( 0.844 -0.659 0.000) 1.071 17.606 ( -0.238 0.215 0.000) 0.320 17.606 ( 0.238 0.215 0.000) 0.320 18.153 ( -1.321 3.912 0.000) 4.129 18.153 ( 1.321 3.912 0.000) 4.129 18.302 ( -0.418 3.829 0.000) 3.852 18.302 ( 0.418 3.829 0.000) 3.852 18.773 ( -0.082 4.715 0.000) 4.715 18.773 ( 0.082 4.715 0.000) 4.715 19.143 ( -0.730 -4.752 0.000) 4.807 19.143 ( 0.730 -4.752 0.000) 4.807 20.300 ( -2.171 3.926 0.000) 4.486 20.300 ( 2.171 3.926 0.000) 4.486 20.710 ( -1.569 -3.134 0.000) 3.505 20.710 ( 1.569 -3.134 0.000) 3.505 21.969 ( -0.001 7.098 0.000) 7.098 21.969 ( 0.001 7.098 0.000) 7.098 22.816 ( -0.490 -12.943 0.000) 12.952 22.816 ( 0.490 -12.943 0.000) 12.952 28.076 ( -0.328 0.288 0.000) 0.437 28.076 ( 0.328 0.288 0.000) 0.437 28.294 ( -0.014 0.650 0.000) 0.650 28.294 ( 0.014 0.650 0.000) 0.650 28.401 ( -0.156 2.139 0.000) 2.144 28.401 ( 0.156 2.139 0.000) 2.144 28.642 ( -2.563 3.051 0.000) 3.985 28.642 ( 2.563 3.051 0.000) 3.985 28.764 ( -0.414 -0.961 0.000) 1.047 28.764 ( 0.414 -0.961 0.000) 1.047 29.148 ( -0.633 2.212 0.000) 2.301 29.148 ( 0.633 2.212 0.000) 2.301 29.298 ( -2.495 -9.222 0.000) 9.553 29.298 ( 2.495 -9.222 0.000) 9.553 29.566 ( -0.727 -10.623 0.000) 10.648 29.566 ( 0.727 -10.623 0.000) 10.648 29.897 ( -3.289 1.405 0.000) 3.577 29.897 ( 3.289 1.405 0.000) 3.577 30.034 ( -2.407 -0.765 0.000) 2.525 30.034 ( 2.407 -0.765 0.000) 2.525 30.416 ( -0.137 1.950 0.000) 1.955 30.416 ( 0.137 1.950 0.000) 1.955 30.823 ( -1.476 2.854 0.000) 3.213 30.823 ( 1.476 2.854 0.000) 3.213 32.013 ( -3.975 -5.606 0.000) 6.873 32.013 ( 3.975 -5.606 0.000) 6.873 32.215 ( -8.105 -5.518 0.000) 9.805 32.215 ( 8.105 -5.518 0.000) 9.805 32.715 ( -6.043 4.701 0.000) 7.656 32.715 ( 6.043 4.701 0.000) 7.656 32.839 ( -0.836 9.720 0.000) 9.755 32.839 ( 0.836 9.720 0.000) 9.755 ======================= Grid point 15 (10/45) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.845 ( 0.000 11.385 0.000) 11.385 1.916 ( 0.000 14.146 0.000) 14.146 2.203 ( 0.000 6.906 0.000) 6.906 2.214 ( 0.000 7.387 0.000) 7.387 2.308 ( 0.000 7.123 0.000) 7.123 2.460 ( 0.000 6.907 0.000) 6.907 2.499 ( 0.000 -4.648 0.000) 4.648 2.669 ( 0.000 -5.046 0.000) 5.046 2.741 ( 0.000 1.814 0.000) 1.814 2.850 ( 0.000 -3.756 0.000) 3.756 2.865 ( 0.000 -4.563 0.000) 4.563 2.916 ( 0.000 -5.416 0.000) 5.416 3.045 ( 0.000 7.398 0.000) 7.398 3.058 ( 0.000 2.486 0.000) 2.486 3.073 ( 0.000 3.085 0.000) 3.085 3.150 ( 0.000 10.624 0.000) 10.624 3.226 ( 0.000 -3.855 0.000) 3.855 3.329 ( 0.000 4.626 0.000) 4.626 3.379 ( 0.000 -7.192 0.000) 7.192 3.472 ( 0.000 2.333 0.000) 2.333 3.562 ( 0.000 5.917 0.000) 5.917 3.594 ( 0.000 -7.959 0.000) 7.959 3.619 ( 0.000 -5.510 0.000) 5.510 3.637 ( 0.000 2.061 0.000) 2.061 3.752 ( 0.000 -3.020 0.000) 3.020 3.820 ( 0.000 -1.098 0.000) 1.098 4.109 ( 0.000 -6.035 0.000) 6.035 4.220 ( 0.000 7.726 0.000) 7.726 4.285 ( 0.000 15.068 0.000) 15.068 4.286 ( 0.000 -1.872 0.000) 1.872 4.452 ( 0.000 -11.085 0.000) 11.085 4.502 ( 0.000 -3.869 0.000) 3.869 4.557 ( 0.000 3.856 0.000) 3.856 4.586 ( 0.000 -15.203 0.000) 15.203 4.777 ( 0.000 2.097 0.000) 2.097 4.830 ( 0.000 2.168 0.000) 2.168 4.908 ( 0.000 5.050 0.000) 5.050 4.928 ( 0.000 0.687 0.000) 0.687 5.013 ( 0.000 0.227 0.000) 0.227 5.231 ( 0.000 1.402 0.000) 1.402 5.482 ( 0.000 -0.410 0.000) 0.410 5.486 ( 0.000 9.464 0.000) 9.464 5.566 ( 0.000 8.191 0.000) 8.191 5.604 ( 0.000 -10.064 0.000) 10.064 5.711 ( 0.000 4.819 0.000) 4.819 5.771 ( 0.000 1.779 0.000) 1.779 5.902 ( 0.000 7.149 0.000) 7.149 5.973 ( 0.000 3.435 0.000) 3.435 6.054 ( 0.000 -0.235 0.000) 0.235 6.118 ( 0.000 10.975 0.000) 10.975 6.248 ( 0.000 -9.922 0.000) 9.922 6.294 ( 0.000 -3.361 0.000) 3.361 6.382 ( 0.000 6.701 0.000) 6.701 6.457 ( 0.000 2.214 0.000) 2.214 6.470 ( 0.000 3.760 0.000) 3.760 6.527 ( 0.000 -3.434 0.000) 3.434 6.621 ( 0.000 -8.643 0.000) 8.643 6.748 ( 0.000 -4.108 0.000) 4.108 6.816 ( 0.000 -10.621 0.000) 10.621 6.898 ( 0.000 2.384 0.000) 2.384 7.019 ( 0.000 -4.447 0.000) 4.447 7.029 ( 0.000 1.533 0.000) 1.533 7.036 ( 0.000 -0.945 0.000) 0.945 7.118 ( 0.000 -1.869 0.000) 1.869 7.407 ( 0.000 -0.685 0.000) 0.685 7.409 ( 0.000 -1.949 0.000) 1.949 7.573 ( 0.000 8.085 0.000) 8.085 7.668 ( 0.000 3.067 0.000) 3.067 7.671 ( 0.000 -1.516 0.000) 1.516 7.808 ( 0.000 -5.433 0.000) 5.433 7.817 ( 0.000 0.739 0.000) 0.739 7.868 ( 0.000 -3.186 0.000) 3.186 7.993 ( 0.000 1.121 0.000) 1.121 8.128 ( 0.000 -5.398 0.000) 5.398 8.340 ( 0.000 1.393 0.000) 1.393 8.383 ( 0.000 -4.145 0.000) 4.145 8.420 ( 0.000 -7.208 0.000) 7.208 8.485 ( 0.000 -6.704 0.000) 6.704 8.635 ( 0.000 4.254 0.000) 4.254 8.747 ( 0.000 0.169 0.000) 0.169 9.004 ( 0.000 6.233 0.000) 6.233 9.094 ( 0.000 1.256 0.000) 1.256 9.134 ( 0.000 3.005 0.000) 3.005 9.156 ( 0.000 5.117 0.000) 5.117 9.315 ( 0.000 1.262 0.000) 1.262 9.324 ( 0.000 4.350 0.000) 4.350 9.628 ( 0.000 -4.137 0.000) 4.137 9.666 ( 0.000 -2.586 0.000) 2.586 9.732 ( 0.000 6.281 0.000) 6.281 9.734 ( 0.000 7.554 0.000) 7.554 9.814 ( 0.000 4.674 0.000) 4.674 9.838 ( 0.000 4.694 0.000) 4.694 9.927 ( 0.000 -1.066 0.000) 1.066 10.066 ( 0.000 -1.518 0.000) 1.518 10.205 ( 0.000 -0.506 0.000) 0.506 10.303 ( 0.000 -3.259 0.000) 3.259 10.324 ( 0.000 4.180 0.000) 4.180 10.378 ( 0.000 -4.317 0.000) 4.317 10.432 ( 0.000 -0.138 0.000) 0.138 10.500 ( 0.000 -4.556 0.000) 4.556 10.908 ( 0.000 6.298 0.000) 6.298 10.968 ( 0.000 6.512 0.000) 6.512 11.104 ( 0.000 -2.503 0.000) 2.503 11.176 ( 0.000 -4.125 0.000) 4.125 11.264 ( 0.000 -0.312 0.000) 0.312 11.269 ( 0.000 -2.142 0.000) 2.142 11.335 ( 0.000 0.862 0.000) 0.862 11.546 ( 0.000 7.292 0.000) 7.292 11.577 ( 0.000 6.403 0.000) 6.403 11.676 ( 0.000 -14.399 0.000) 14.399 11.847 ( 0.000 -8.077 0.000) 8.077 11.950 ( 0.000 -8.645 0.000) 8.645 13.369 ( 0.000 10.917 0.000) 10.917 13.564 ( 0.000 4.458 0.000) 4.458 13.603 ( 0.000 0.874 0.000) 0.874 13.756 ( 0.000 -7.678 0.000) 7.678 14.743 ( 0.000 1.370 0.000) 1.370 14.785 ( 0.000 1.485 0.000) 1.485 14.911 ( 0.000 1.835 0.000) 1.835 14.953 ( 0.000 3.491 0.000) 3.491 14.979 ( 0.000 1.764 0.000) 1.764 15.101 ( 0.000 -3.987 0.000) 3.987 15.324 ( 0.000 0.633 0.000) 0.633 15.332 ( 0.000 -2.893 0.000) 2.893 15.413 ( 0.000 -1.475 0.000) 1.475 15.438 ( 0.000 0.325 0.000) 0.325 15.618 ( 0.000 3.024 0.000) 3.024 15.635 ( 0.000 1.080 0.000) 1.080 15.982 ( 0.000 -1.770 0.000) 1.770 15.984 ( 0.000 -1.974 0.000) 1.974 16.055 ( 0.000 1.952 0.000) 1.952 16.139 ( 0.000 -1.643 0.000) 1.643 16.347 ( 0.000 0.189 0.000) 0.189 16.377 ( 0.000 -2.078 0.000) 2.078 16.499 ( 0.000 1.911 0.000) 1.911 16.503 ( 0.000 1.572 0.000) 1.572 17.036 ( 0.000 -0.541 0.000) 0.541 17.062 ( 0.000 -0.921 0.000) 0.921 17.231 ( 0.000 0.135 0.000) 0.135 17.257 ( 0.000 -1.102 0.000) 1.102 17.306 ( 0.000 2.166 0.000) 2.166 17.371 ( 0.000 -1.428 0.000) 1.428 17.523 ( 0.000 3.040 0.000) 3.040 17.616 ( 0.000 -1.044 0.000) 1.044 18.063 ( 0.000 2.343 0.000) 2.343 18.100 ( 0.000 0.821 0.000) 0.821 18.469 ( 0.000 3.313 0.000) 3.313 18.524 ( 0.000 0.135 0.000) 0.135 18.854 ( 0.000 2.078 0.000) 2.078 18.888 ( 0.000 6.591 0.000) 6.591 18.899 ( 0.000 -0.687 0.000) 0.687 19.125 ( 0.000 -5.131 0.000) 5.131 20.349 ( 0.000 5.911 0.000) 5.911 20.438 ( 0.000 5.101 0.000) 5.101 20.574 ( 0.000 -4.942 0.000) 4.942 20.706 ( 0.000 -7.808 0.000) 7.808 22.118 ( 0.000 8.313 0.000) 8.313 22.148 ( 0.000 10.132 0.000) 10.132 22.489 ( 0.000 -9.856 0.000) 9.856 22.620 ( 0.000 -13.217 0.000) 13.217 28.064 ( 0.000 0.590 0.000) 0.590 28.090 ( 0.000 -1.022 0.000) 1.022 28.315 ( 0.000 -0.188 0.000) 0.188 28.318 ( 0.000 -0.437 0.000) 0.437 28.405 ( 0.000 4.071 0.000) 4.071 28.481 ( 0.000 1.005 0.000) 1.005 28.658 ( 0.000 5.799 0.000) 5.799 28.708 ( 0.000 0.668 0.000) 0.668 28.755 ( 0.000 3.282 0.000) 3.282 28.777 ( 0.000 -1.915 0.000) 1.915 29.051 ( 0.000 -9.996 0.000) 9.996 29.062 ( 0.000 -7.753 0.000) 7.753 29.117 ( 0.000 4.839 0.000) 4.839 29.319 ( 0.000 -0.790 0.000) 0.790 29.329 ( 0.000 -4.675 0.000) 4.675 29.420 ( 0.000 -10.134 0.000) 10.134 29.735 ( 0.000 0.764 0.000) 0.764 29.915 ( 0.000 -4.459 0.000) 4.459 30.266 ( 0.000 1.879 0.000) 1.879 30.301 ( 0.000 -0.376 0.000) 0.376 30.483 ( 0.000 6.231 0.000) 6.231 30.580 ( 0.000 9.813 0.000) 9.813 30.707 ( 0.000 -2.891 0.000) 2.891 30.891 ( 0.000 -3.460 0.000) 3.460 31.644 ( 0.000 -2.946 0.000) 2.946 31.700 ( 0.000 -5.221 0.000) 5.221 32.108 ( 0.000 -1.155 0.000) 1.155 32.274 ( 0.000 -8.336 0.000) 8.336 32.706 ( 0.000 8.765 0.000) 8.765 32.879 ( 0.000 1.744 0.000) 1.744 33.050 ( 0.000 5.193 0.000) 5.193 33.076 ( 0.000 4.719 0.000) 4.719 ======================= Grid point 16 (11/45) ======================= q-point: ( 0.25 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.934 ( 5.958 8.210 0.000) 10.144 1.968 ( 4.673 10.098 0.000) 11.126 2.220 ( 1.801 6.767 0.000) 7.003 2.246 ( 1.269 11.641 0.000) 11.710 2.366 ( 3.670 2.151 0.000) 4.253 2.497 ( -0.515 5.181 0.000) 5.207 2.527 ( 5.116 5.545 0.000) 7.544 2.585 ( 0.967 1.134 0.000) 1.490 2.741 ( -5.159 2.909 0.000) 5.923 2.822 ( 0.941 -3.991 0.000) 4.100 2.887 ( 0.784 -1.077 0.000) 1.332 2.920 ( 0.077 -2.784 0.000) 2.785 3.029 ( -1.817 0.343 0.000) 1.850 3.075 ( -0.309 0.408 0.000) 0.512 3.095 ( 1.167 -1.403 0.000) 1.825 3.149 ( -3.735 0.923 0.000) 3.848 3.221 ( 1.283 -0.215 0.000) 1.301 3.307 ( 3.079 0.531 0.000) 3.125 3.391 ( -2.374 -9.391 0.000) 9.687 3.466 ( 3.103 1.530 0.000) 3.460 3.517 ( -5.137 -4.385 0.000) 6.754 3.585 ( -1.619 -4.528 0.000) 4.809 3.633 ( 4.006 1.773 0.000) 4.380 3.691 ( 4.115 1.472 0.000) 4.370 3.783 ( 2.831 -4.813 0.000) 5.583 3.795 ( -0.999 -2.730 0.000) 2.907 4.055 ( -2.996 5.033 0.000) 5.858 4.223 ( -4.656 -4.621 0.000) 6.560 4.245 ( -3.699 4.703 0.000) 5.983 4.367 ( -5.760 -4.085 0.000) 7.061 4.431 ( 7.455 9.828 0.000) 12.336 4.524 ( 5.555 3.644 0.000) 6.643 4.593 ( 7.075 -0.007 0.000) 7.075 4.647 ( 1.800 7.738 0.000) 7.944 4.798 ( -3.523 9.539 0.000) 10.169 4.838 ( 6.341 -2.174 0.000) 6.703 4.942 ( 5.553 -4.241 0.000) 6.987 5.002 ( 5.085 3.439 0.000) 6.139 5.083 ( 4.429 -6.121 0.000) 7.555 5.161 ( -5.143 2.384 0.000) 5.669 5.368 ( -5.580 1.219 0.000) 5.711 5.400 ( -10.724 4.850 0.000) 11.769 5.491 ( -6.213 1.278 0.000) 6.343 5.581 ( -3.055 -10.596 0.000) 11.027 5.665 ( -2.063 6.054 0.000) 6.396 5.752 ( -11.164 0.005 0.000) 11.164 5.777 ( -6.326 -0.785 0.000) 6.375 5.939 ( -4.860 12.376 0.000) 13.295 6.004 ( -5.239 2.847 0.000) 5.963 6.049 ( 0.302 -2.513 0.000) 2.532 6.209 ( 2.988 0.245 0.000) 2.998 6.276 ( -4.759 -2.077 0.000) 5.192 6.357 ( 2.516 2.747 0.000) 3.725 6.437 ( -2.434 4.610 0.000) 5.213 6.513 ( 1.623 -5.429 0.000) 5.666 6.595 ( 5.397 -1.484 0.000) 5.597 6.631 ( -0.533 -6.081 0.000) 6.104 6.744 ( -1.035 -2.326 0.000) 2.546 6.850 ( -1.755 -14.060 0.000) 14.169 6.921 ( -5.226 -4.853 0.000) 7.132 7.020 ( 10.611 -1.281 0.000) 10.688 7.064 ( 7.216 9.745 0.000) 12.126 7.154 ( 8.073 0.873 0.000) 8.120 7.191 ( 3.520 -1.396 0.000) 3.786 7.411 ( -2.266 4.329 0.000) 4.886 7.460 ( 4.332 -2.267 0.000) 4.890 7.590 ( 3.335 2.581 0.000) 4.217 7.637 ( -3.703 0.226 0.000) 3.710 7.686 ( 1.003 -2.461 0.000) 2.657 7.778 ( -3.052 -0.037 0.000) 3.052 7.831 ( 0.724 0.740 0.000) 1.036 7.916 ( 2.524 -3.580 0.000) 4.380 7.977 ( 3.018 -0.251 0.000) 3.029 8.076 ( -4.504 -5.129 0.000) 6.826 8.250 ( -6.739 -0.517 0.000) 6.758 8.303 ( -6.042 -1.110 0.000) 6.143 8.554 ( 8.051 -7.094 0.000) 10.730 8.563 ( 7.340 -5.512 0.000) 9.179 8.691 ( 4.581 3.773 0.000) 5.935 8.771 ( 1.211 0.381 0.000) 1.269 8.962 ( -2.205 4.508 0.000) 5.018 9.051 ( -4.594 0.529 0.000) 4.624 9.166 ( 2.334 4.278 0.000) 4.873 9.196 ( 3.388 1.982 0.000) 3.925 9.359 ( 3.758 3.802 0.000) 5.346 9.399 ( 5.572 1.928 0.000) 5.896 9.645 ( 1.567 -2.993 0.000) 3.379 9.660 ( -1.509 2.218 0.000) 2.683 9.701 ( 0.947 4.015 0.000) 4.125 9.762 ( 0.859 6.640 0.000) 6.696 9.821 ( -0.499 4.337 0.000) 4.366 9.862 ( 2.916 3.570 0.000) 4.609 9.908 ( -1.808 -0.609 0.000) 1.908 10.030 ( -3.489 -0.371 0.000) 3.509 10.123 ( -6.147 -1.508 0.000) 6.329 10.177 ( -8.355 -1.604 0.000) 8.508 10.342 ( 0.919 0.862 0.000) 1.260 10.410 ( -0.718 0.606 0.000) 0.940 10.444 ( 2.344 -4.254 0.000) 4.857 10.504 ( -0.264 -4.396 0.000) 4.404 10.910 ( 0.439 3.381 0.000) 3.409 11.010 ( 1.053 3.354 0.000) 3.515 11.041 ( -0.969 0.005 0.000) 0.969 11.175 ( -0.323 -0.943 0.000) 0.997 11.266 ( -0.237 2.208 0.000) 2.221 11.315 ( 3.414 -0.543 0.000) 3.457 11.367 ( 1.705 0.946 0.000) 1.950 11.459 ( -7.927 1.924 0.000) 8.157 11.559 ( 2.083 2.641 0.000) 3.364 11.714 ( -0.432 -7.270 0.000) 7.283 11.845 ( 1.126 -9.623 0.000) 9.689 11.937 ( -1.401 -9.200 0.000) 9.306 13.348 ( -0.667 7.515 0.000) 7.544 13.469 ( -6.172 2.567 0.000) 6.685 13.696 ( 7.394 3.651 0.000) 8.247 13.830 ( 3.605 -2.124 0.000) 4.184 14.732 ( -0.220 1.119 0.000) 1.140 14.801 ( -0.028 -0.332 0.000) 0.333 14.892 ( -1.924 2.924 0.000) 3.500 14.930 ( -0.912 0.905 0.000) 1.285 14.957 ( -0.841 2.225 0.000) 2.378 15.066 ( -3.551 -4.229 0.000) 5.522 15.295 ( -0.381 -1.128 0.000) 1.191 15.348 ( -0.860 -2.896 0.000) 3.021 15.426 ( 1.476 1.466 0.000) 2.080 15.449 ( 0.844 1.999 0.000) 2.170 15.617 ( -0.093 2.667 0.000) 2.668 15.628 ( -0.600 1.259 0.000) 1.395 15.991 ( 0.715 -1.508 0.000) 1.669 15.997 ( 0.834 -1.776 0.000) 1.962 16.062 ( 0.845 1.132 0.000) 1.412 16.123 ( -1.504 -1.339 0.000) 2.013 16.342 ( -0.265 -0.257 0.000) 0.369 16.360 ( -1.132 -1.594 0.000) 1.955 16.523 ( 1.587 1.366 0.000) 2.094 16.526 ( 1.719 1.136 0.000) 2.061 17.038 ( 0.397 -0.169 0.000) 0.432 17.063 ( -0.112 -0.649 0.000) 0.658 17.217 ( -1.082 -0.258 0.000) 1.113 17.231 ( -1.953 -0.783 0.000) 2.104 17.310 ( 0.388 1.658 0.000) 1.703 17.351 ( -1.497 -0.502 0.000) 1.579 17.560 ( 2.680 1.142 0.000) 2.913 17.614 ( -0.235 -0.929 0.000) 0.958 18.116 ( 4.976 2.690 0.000) 5.656 18.157 ( 5.058 0.937 0.000) 5.144 18.423 ( -4.518 2.693 0.000) 5.260 18.451 ( -5.839 1.217 0.000) 5.964 18.859 ( 0.423 3.076 0.000) 3.105 18.873 ( -0.349 5.331 0.000) 5.342 18.970 ( 4.747 -1.691 0.000) 5.040 19.109 ( -1.727 -4.955 0.000) 5.247 20.362 ( 1.205 5.745 0.000) 5.870 20.425 ( -1.309 5.176 0.000) 5.339 20.585 ( 1.235 -4.945 0.000) 5.097 20.678 ( -2.560 -6.797 0.000) 7.263 22.122 ( 0.359 8.579 0.000) 8.587 22.142 ( -0.482 9.861 0.000) 9.873 22.514 ( 2.293 -10.826 0.000) 11.066 22.605 ( -1.456 -13.047 0.000) 13.128 28.067 ( 0.324 0.378 0.000) 0.498 28.085 ( -0.398 -0.765 0.000) 0.862 28.305 ( -0.831 -0.113 0.000) 0.839 28.305 ( -0.792 -0.275 0.000) 0.839 28.425 ( 1.650 3.649 0.000) 4.004 28.477 ( -0.504 1.806 0.000) 1.875 28.670 ( 1.382 4.329 0.000) 4.544 28.722 ( 1.218 0.976 0.000) 1.561 28.746 ( -1.172 2.653 0.000) 2.900 28.766 ( -0.831 -1.182 0.000) 1.445 29.057 ( 0.406 -9.682 0.000) 9.690 29.062 ( 0.063 -7.649 0.000) 7.649 29.146 ( 2.847 2.989 0.000) 4.128 29.281 ( -2.953 -2.312 0.000) 3.751 29.358 ( 2.343 -3.855 0.000) 4.511 29.428 ( 0.167 -7.507 0.000) 7.509 29.788 ( 5.370 0.822 0.000) 5.433 29.931 ( 1.870 -3.266 0.000) 3.764 30.151 ( -10.197 2.403 0.000) 10.476 30.181 ( -9.496 0.135 0.000) 9.497 30.487 ( 0.674 6.520 0.000) 6.555 30.557 ( -2.124 7.721 0.000) 8.008 30.747 ( 3.215 -2.761 0.000) 4.238 30.869 ( -2.165 -3.649 0.000) 4.243 31.749 ( 8.987 -2.745 0.000) 9.397 31.823 ( 10.015 -6.249 0.000) 11.805 32.079 ( -2.635 -1.100 0.000) 2.855 32.229 ( -4.671 -7.722 0.000) 9.025 32.737 ( 3.150 7.729 0.000) 8.346 32.872 ( -0.989 2.108 0.000) 2.328 33.014 ( -2.718 6.207 0.000) 6.775 33.047 ( -2.705 4.532 0.000) 5.278 ======================= Grid point 17 (12/45) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.013 ( -0.343 5.240 0.000) 5.252 2.013 ( 0.343 5.240 0.000) 5.252 2.250 ( -0.146 9.075 0.000) 9.076 2.250 ( 0.146 9.075 0.000) 9.076 2.427 ( -2.049 4.182 0.000) 4.657 2.427 ( 2.049 4.182 0.000) 4.657 2.631 ( -1.194 9.174 0.000) 9.252 2.631 ( 1.194 9.174 0.000) 9.252 2.760 ( -6.731 3.922 0.000) 7.790 2.760 ( 6.731 3.922 0.000) 7.790 2.908 ( -0.846 -0.565 0.000) 1.018 2.908 ( 0.846 -0.565 0.000) 1.018 3.043 ( -1.952 -5.437 0.000) 5.777 3.043 ( 1.952 -5.437 0.000) 5.777 3.072 ( -0.418 -5.322 0.000) 5.339 3.072 ( 0.418 -5.322 0.000) 5.339 3.288 ( -4.068 -5.583 0.000) 6.908 3.288 ( 4.068 -5.583 0.000) 6.908 3.426 ( -4.099 -2.378 0.000) 4.739 3.426 ( 4.099 -2.378 0.000) 4.739 3.549 ( -0.356 0.015 0.000) 0.356 3.549 ( 0.356 0.015 0.000) 0.356 3.731 ( -0.965 -0.501 0.000) 1.087 3.731 ( 0.965 -0.501 0.000) 1.087 3.817 ( -1.473 -8.226 0.000) 8.357 3.817 ( 1.473 -8.226 0.000) 8.357 4.019 ( -1.136 3.135 0.000) 3.334 4.019 ( 1.136 3.135 0.000) 3.334 4.258 ( -0.807 -1.748 0.000) 1.925 4.258 ( 0.807 -1.748 0.000) 1.925 4.624 ( -5.657 12.785 0.000) 13.981 4.624 ( 5.657 12.785 0.000) 13.981 4.643 ( -0.229 16.576 0.000) 16.577 4.643 ( 0.229 16.576 0.000) 16.577 4.828 ( -9.058 3.584 0.000) 9.742 4.828 ( 9.058 3.584 0.000) 9.742 5.065 ( -4.546 -0.844 0.000) 4.623 5.065 ( 4.546 -0.844 0.000) 4.623 5.090 ( -2.574 -0.794 0.000) 2.694 5.090 ( 2.574 -0.794 0.000) 2.694 5.326 ( -9.621 -1.052 0.000) 9.679 5.326 ( 9.621 -1.052 0.000) 9.679 5.435 ( -9.797 -9.079 0.000) 13.357 5.435 ( 9.797 -9.079 0.000) 13.357 5.594 ( -0.381 -3.194 0.000) 3.217 5.594 ( 0.381 -3.194 0.000) 3.217 5.771 ( -4.874 0.912 0.000) 4.959 5.771 ( 4.874 0.912 0.000) 4.959 6.062 ( -3.069 5.789 0.000) 6.552 6.062 ( 3.069 5.789 0.000) 6.552 6.226 ( -0.655 0.863 0.000) 1.083 6.226 ( 0.655 0.863 0.000) 1.083 6.383 ( -0.134 5.801 0.000) 5.802 6.383 ( 0.134 5.801 0.000) 5.802 6.573 ( -0.308 -11.213 0.000) 11.217 6.573 ( 0.308 -11.213 0.000) 11.217 6.721 ( -2.075 -0.097 0.000) 2.077 6.721 ( 2.075 -0.097 0.000) 2.077 6.821 ( -0.336 -9.805 0.000) 9.811 6.821 ( 0.336 -9.805 0.000) 9.811 7.173 ( -0.450 3.300 0.000) 3.331 7.173 ( 0.450 3.300 0.000) 3.331 7.228 ( -1.112 5.644 0.000) 5.753 7.228 ( 1.112 5.644 0.000) 5.753 7.449 ( -3.579 -1.999 0.000) 4.100 7.449 ( 3.579 -1.999 0.000) 4.100 7.589 ( -3.275 0.448 0.000) 3.306 7.589 ( 3.275 0.448 0.000) 3.306 7.729 ( -0.338 2.291 0.000) 2.316 7.729 ( 0.338 2.291 0.000) 2.316 7.885 ( -2.330 -4.513 0.000) 5.079 7.885 ( 2.330 -4.513 0.000) 5.079 8.051 ( -1.246 -3.360 0.000) 3.584 8.051 ( 1.246 -3.360 0.000) 3.584 8.179 ( -3.989 0.494 0.000) 4.020 8.179 ( 3.989 0.494 0.000) 4.020 8.662 ( -0.428 -5.589 0.000) 5.605 8.662 ( 0.428 -5.589 0.000) 5.605 8.760 ( -1.058 2.006 0.000) 2.268 8.760 ( 1.058 2.006 0.000) 2.268 8.965 ( -0.322 2.265 0.000) 2.288 8.965 ( 0.322 2.265 0.000) 2.288 9.210 ( -0.287 1.707 0.000) 1.731 9.210 ( 0.287 1.707 0.000) 1.731 9.442 ( -0.624 2.071 0.000) 2.163 9.442 ( 0.624 2.071 0.000) 2.163 9.650 ( -0.289 4.197 0.000) 4.207 9.650 ( 0.289 4.197 0.000) 4.207 9.758 ( -3.449 1.263 0.000) 3.674 9.758 ( 3.449 1.263 0.000) 3.674 9.835 ( -4.936 3.236 0.000) 5.902 9.835 ( 4.936 3.236 0.000) 5.902 9.948 ( -0.480 2.225 0.000) 2.276 9.948 ( 0.480 2.225 0.000) 2.276 10.057 ( -1.812 -2.560 0.000) 3.137 10.057 ( 1.812 -2.560 0.000) 3.137 10.375 ( -0.315 0.165 0.000) 0.356 10.375 ( 0.315 0.165 0.000) 0.356 10.484 ( -0.203 -4.354 0.000) 4.359 10.484 ( 0.203 -4.354 0.000) 4.359 10.943 ( -2.965 -0.509 0.000) 3.009 10.943 ( 2.965 -0.509 0.000) 3.009 11.135 ( -1.598 3.557 0.000) 3.899 11.135 ( 1.598 3.557 0.000) 3.899 11.300 ( -1.236 2.304 0.000) 2.614 11.300 ( 1.236 2.304 0.000) 2.614 11.377 ( -1.355 2.285 0.000) 2.656 11.377 ( 1.355 2.285 0.000) 2.656 11.642 ( -4.844 -4.169 0.000) 6.391 11.642 ( 4.844 -4.169 0.000) 6.391 11.894 ( -0.870 -10.113 0.000) 10.150 11.894 ( 0.870 -10.113 0.000) 10.150 13.373 ( -0.371 4.267 0.000) 4.283 13.373 ( 0.371 4.267 0.000) 4.283 13.825 ( -0.494 3.269 0.000) 3.306 13.825 ( 0.494 3.269 0.000) 3.306 14.756 ( -2.237 -0.335 0.000) 2.262 14.756 ( 2.237 -0.335 0.000) 2.262 14.900 ( -0.232 2.402 0.000) 2.413 14.900 ( 0.232 2.402 0.000) 2.413 14.987 ( -0.575 -2.528 0.000) 2.593 14.987 ( 0.575 -2.528 0.000) 2.593 15.313 ( -0.324 -2.148 0.000) 2.172 15.313 ( 0.324 -2.148 0.000) 2.172 15.453 ( -0.146 3.107 0.000) 3.111 15.453 ( 0.146 3.107 0.000) 3.111 15.617 ( -0.008 1.837 0.000) 1.837 15.617 ( 0.008 1.837 0.000) 1.837 16.003 ( -0.007 -1.256 0.000) 1.256 16.003 ( 0.007 -1.256 0.000) 1.256 16.089 ( -0.379 -0.477 0.000) 0.609 16.089 ( 0.379 -0.477 0.000) 0.609 16.344 ( -0.007 -1.055 0.000) 1.055 16.344 ( 0.007 -1.055 0.000) 1.055 16.543 ( -0.004 0.956 0.000) 0.956 16.543 ( 0.004 0.956 0.000) 0.956 17.052 ( -0.344 -0.026 0.000) 0.345 17.052 ( 0.344 -0.026 0.000) 0.345 17.206 ( -0.014 -0.687 0.000) 0.688 17.206 ( 0.014 -0.687 0.000) 0.688 17.324 ( -0.135 0.555 0.000) 0.572 17.324 ( 0.135 0.555 0.000) 0.572 17.601 ( -0.133 -0.452 0.000) 0.472 17.601 ( 0.133 -0.452 0.000) 0.472 18.219 ( -0.435 2.536 0.000) 2.573 18.219 ( 0.435 2.536 0.000) 2.573 18.354 ( -0.181 1.513 0.000) 1.524 18.354 ( 0.181 1.513 0.000) 1.524 18.867 ( -0.004 4.577 0.000) 4.577 18.867 ( 0.004 4.577 0.000) 4.577 19.056 ( -0.501 -4.061 0.000) 4.092 19.056 ( 0.501 -4.061 0.000) 4.092 20.393 ( -1.667 5.416 0.000) 5.667 20.393 ( 1.667 5.416 0.000) 5.667 20.623 ( -2.288 -5.397 0.000) 5.862 20.623 ( 2.288 -5.397 0.000) 5.862 22.131 ( -0.008 9.218 0.000) 9.218 22.131 ( 0.008 9.218 0.000) 9.218 22.565 ( -0.204 -12.308 0.000) 12.309 22.565 ( 0.204 -12.308 0.000) 12.309 28.076 ( -0.043 -0.169 0.000) 0.175 28.076 ( 0.043 -0.169 0.000) 0.175 28.296 ( -0.000 -0.169 0.000) 0.169 28.296 ( 0.000 -0.169 0.000) 0.169 28.457 ( -0.099 2.985 0.000) 2.987 28.457 ( 0.099 2.985 0.000) 2.987 28.709 ( -1.069 2.558 0.000) 2.773 28.709 ( 1.069 2.558 0.000) 2.773 28.747 ( -0.145 0.359 0.000) 0.387 28.747 ( 0.145 0.359 0.000) 0.387 29.062 ( -0.014 -8.470 0.000) 8.470 29.062 ( 0.014 -8.470 0.000) 8.470 29.214 ( -0.764 -0.628 0.000) 0.989 29.214 ( 0.764 -0.628 0.000) 0.989 29.408 ( -0.166 -4.817 0.000) 4.820 29.408 ( 0.166 -4.817 0.000) 4.820 29.940 ( -9.583 2.129 0.000) 9.816 29.940 ( 9.583 2.129 0.000) 9.816 30.011 ( -4.137 -1.282 0.000) 4.332 30.011 ( 4.137 -1.282 0.000) 4.332 30.513 ( -0.128 6.890 0.000) 6.891 30.513 ( 0.128 6.890 0.000) 6.891 30.813 ( -0.525 -3.492 0.000) 3.531 30.813 ( 0.525 -3.492 0.000) 3.531 31.913 ( -2.253 -3.778 0.000) 4.399 31.913 ( 2.253 -3.778 0.000) 4.399 32.097 ( -3.585 -5.139 0.000) 6.266 32.097 ( 3.585 -5.139 0.000) 6.266 32.819 ( -4.138 4.898 0.000) 6.412 32.819 ( 4.138 4.898 0.000) 6.412 32.996 ( -1.184 5.417 0.000) 5.545 32.996 ( 1.184 5.417 0.000) 5.545 ======================= Grid point 20 (13/45) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 27 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.002 ( 0.000 -3.057 0.000) 3.057 2.002 ( 0.000 3.057 0.000) 3.057 2.233 ( 0.000 -0.943 0.000) 0.943 2.233 ( 0.000 0.943 0.000) 0.943 2.431 ( 0.000 -3.792 0.000) 3.792 2.431 ( 0.000 3.792 0.000) 3.792 2.626 ( 0.000 -4.315 0.000) 4.315 2.626 ( 0.000 4.315 0.000) 4.315 2.763 ( 0.000 -4.463 0.000) 4.463 2.763 ( 0.000 4.463 0.000) 4.463 2.851 ( 0.000 -2.092 0.000) 2.092 2.851 ( 0.000 2.092 0.000) 2.092 3.098 ( 0.000 -2.143 0.000) 2.143 3.098 ( 0.000 2.143 0.000) 2.143 3.156 ( 0.000 -1.597 0.000) 1.597 3.156 ( 0.000 1.597 0.000) 1.597 3.305 ( 0.000 -6.010 0.000) 6.010 3.305 ( 0.000 6.010 0.000) 6.010 3.438 ( 0.000 -10.015 0.000) 10.015 3.438 ( 0.000 10.015 0.000) 10.015 3.579 ( 0.000 -5.106 0.000) 5.106 3.579 ( 0.000 5.106 0.000) 5.106 3.592 ( 0.000 -4.683 0.000) 4.683 3.592 ( 0.000 4.683 0.000) 4.683 3.669 ( 0.000 -1.408 0.000) 1.408 3.669 ( 0.000 1.408 0.000) 1.408 4.184 ( 0.000 -12.645 0.000) 12.645 4.184 ( 0.000 12.645 0.000) 12.645 4.315 ( 0.000 -7.261 0.000) 7.261 4.315 ( 0.000 7.261 0.000) 7.261 4.443 ( 0.000 -3.876 0.000) 3.876 4.443 ( 0.000 3.876 0.000) 3.876 4.615 ( 0.000 -8.778 0.000) 8.778 4.615 ( 0.000 8.778 0.000) 8.778 4.713 ( 0.000 -6.124 0.000) 6.124 4.713 ( 0.000 6.124 0.000) 6.124 5.020 ( 0.000 -1.088 0.000) 1.088 5.020 ( 0.000 1.088 0.000) 1.088 5.130 ( 0.000 -7.893 0.000) 7.893 5.130 ( 0.000 7.893 0.000) 7.893 5.483 ( 0.000 -1.749 0.000) 1.749 5.483 ( 0.000 1.749 0.000) 1.749 5.653 ( 0.000 -4.433 0.000) 4.433 5.653 ( 0.000 4.433 0.000) 4.433 5.823 ( 0.000 -7.654 0.000) 7.654 5.823 ( 0.000 7.654 0.000) 7.654 5.887 ( 0.000 -16.151 0.000) 16.151 5.887 ( 0.000 16.151 0.000) 16.151 6.088 ( 0.000 -2.121 0.000) 2.121 6.088 ( 0.000 2.121 0.000) 2.121 6.270 ( 0.000 -3.538 0.000) 3.538 6.270 ( 0.000 3.538 0.000) 3.538 6.414 ( 0.000 -0.341 0.000) 0.341 6.414 ( 0.000 0.341 0.000) 0.341 6.583 ( 0.000 -9.082 0.000) 9.082 6.583 ( 0.000 9.082 0.000) 9.082 6.620 ( 0.000 -2.060 0.000) 2.060 6.620 ( 0.000 2.060 0.000) 2.060 6.743 ( 0.000 -7.492 0.000) 7.492 6.743 ( 0.000 7.492 0.000) 7.492 6.998 ( 0.000 -2.052 0.000) 2.052 6.998 ( 0.000 2.052 0.000) 2.052 7.118 ( 0.000 -0.634 0.000) 0.634 7.118 ( 0.000 0.634 0.000) 0.634 7.384 ( 0.000 -1.619 0.000) 1.619 7.384 ( 0.000 1.619 0.000) 1.619 7.659 ( 0.000 -1.974 0.000) 1.974 7.659 ( 0.000 1.974 0.000) 1.974 7.749 ( 0.000 -4.694 0.000) 4.694 7.749 ( 0.000 4.694 0.000) 4.694 7.817 ( 0.000 -1.392 0.000) 1.392 7.817 ( 0.000 1.392 0.000) 1.392 8.038 ( 0.000 -3.465 0.000) 3.465 8.038 ( 0.000 3.465 0.000) 3.465 8.319 ( 0.000 -0.546 0.000) 0.546 8.319 ( 0.000 0.546 0.000) 0.546 8.395 ( 0.000 -3.212 0.000) 3.212 8.395 ( 0.000 3.212 0.000) 3.212 8.716 ( 0.000 -3.145 0.000) 3.145 8.716 ( 0.000 3.145 0.000) 3.145 9.087 ( 0.000 -2.188 0.000) 2.188 9.087 ( 0.000 2.188 0.000) 2.188 9.186 ( 0.000 -1.392 0.000) 1.392 9.186 ( 0.000 1.392 0.000) 1.392 9.350 ( 0.000 -1.725 0.000) 1.725 9.350 ( 0.000 1.725 0.000) 1.725 9.603 ( 0.000 -2.290 0.000) 2.290 9.603 ( 0.000 2.290 0.000) 2.290 9.842 ( 0.000 -0.534 0.000) 0.534 9.842 ( 0.000 0.534 0.000) 0.534 9.855 ( 0.000 -2.913 0.000) 2.913 9.855 ( 0.000 2.913 0.000) 2.913 9.967 ( 0.000 -6.128 0.000) 6.128 9.967 ( 0.000 6.128 0.000) 6.128 10.241 ( 0.000 -2.322 0.000) 2.322 10.241 ( 0.000 2.322 0.000) 2.322 10.373 ( 0.000 -4.002 0.000) 4.002 10.373 ( 0.000 4.002 0.000) 4.002 10.416 ( 0.000 -4.336 0.000) 4.336 10.416 ( 0.000 4.336 0.000) 4.336 11.025 ( 0.000 -5.201 0.000) 5.201 11.025 ( 0.000 5.201 0.000) 5.201 11.085 ( 0.000 -5.127 0.000) 5.127 11.085 ( 0.000 5.127 0.000) 5.127 11.253 ( 0.000 -0.349 0.000) 0.349 11.253 ( 0.000 0.349 0.000) 0.349 11.427 ( 0.000 -9.300 0.000) 9.300 11.427 ( 0.000 9.300 0.000) 9.300 11.695 ( 0.000 -7.693 0.000) 7.693 11.695 ( 0.000 7.693 0.000) 7.693 11.753 ( 0.000 -10.357 0.000) 10.357 11.753 ( 0.000 10.357 0.000) 10.357 13.578 ( 0.000 -9.461 0.000) 9.461 13.578 ( 0.000 9.461 0.000) 9.461 13.618 ( 0.000 -1.148 0.000) 1.148 13.618 ( 0.000 1.148 0.000) 1.148 14.780 ( 0.000 -1.700 0.000) 1.700 14.780 ( 0.000 1.700 0.000) 1.700 14.953 ( 0.000 -2.000 0.000) 2.000 14.953 ( 0.000 2.000 0.000) 2.000 15.037 ( 0.000 -3.105 0.000) 3.105 15.037 ( 0.000 3.105 0.000) 3.105 15.312 ( 0.000 -0.736 0.000) 0.736 15.312 ( 0.000 0.736 0.000) 0.736 15.420 ( 0.000 -1.461 0.000) 1.461 15.420 ( 0.000 1.461 0.000) 1.461 15.649 ( 0.000 -0.163 0.000) 0.163 15.649 ( 0.000 0.163 0.000) 0.163 15.964 ( 0.000 -0.014 0.000) 0.014 15.964 ( 0.000 0.014 0.000) 0.014 16.099 ( 0.000 -2.317 0.000) 2.317 16.099 ( 0.000 2.317 0.000) 2.317 16.352 ( 0.000 -0.542 0.000) 0.542 16.352 ( 0.000 0.542 0.000) 0.542 16.519 ( 0.000 -0.074 0.000) 0.074 16.519 ( 0.000 0.074 0.000) 0.074 17.040 ( 0.000 -0.899 0.000) 0.899 17.040 ( 0.000 0.899 0.000) 0.899 17.240 ( 0.000 -0.676 0.000) 0.676 17.240 ( 0.000 0.676 0.000) 0.676 17.343 ( 0.000 -1.566 0.000) 1.566 17.343 ( 0.000 1.566 0.000) 1.566 17.579 ( 0.000 -2.552 0.000) 2.552 17.579 ( 0.000 2.552 0.000) 2.552 18.097 ( 0.000 -1.044 0.000) 1.044 18.097 ( 0.000 1.044 0.000) 1.044 18.513 ( 0.000 -1.303 0.000) 1.303 18.513 ( 0.000 1.303 0.000) 1.303 18.883 ( 0.000 -1.032 0.000) 1.032 18.883 ( 0.000 1.032 0.000) 1.032 19.015 ( 0.000 -6.065 0.000) 6.065 19.015 ( 0.000 6.065 0.000) 6.065 20.467 ( 0.000 -5.814 0.000) 5.814 20.467 ( 0.000 5.814 0.000) 5.814 20.558 ( 0.000 -6.958 0.000) 6.958 20.558 ( 0.000 6.958 0.000) 6.958 22.295 ( 0.000 -9.543 0.000) 9.543 22.295 ( 0.000 9.543 0.000) 9.543 22.368 ( 0.000 -12.104 0.000) 12.104 22.368 ( 0.000 12.104 0.000) 12.104 28.074 ( 0.000 -0.562 0.000) 0.562 28.074 ( 0.000 0.562 0.000) 0.562 28.313 ( 0.000 -0.050 0.000) 0.050 28.313 ( 0.000 0.050 0.000) 0.050 28.470 ( 0.000 -2.163 0.000) 2.163 28.470 ( 0.000 2.163 0.000) 2.163 28.727 ( 0.000 -0.921 0.000) 0.921 28.727 ( 0.000 0.921 0.000) 0.921 28.778 ( 0.000 -2.894 0.000) 2.894 28.778 ( 0.000 2.894 0.000) 2.894 28.948 ( 0.000 -1.947 0.000) 1.947 28.948 ( 0.000 1.947 0.000) 1.947 29.230 ( 0.000 -6.399 0.000) 6.399 29.230 ( 0.000 6.399 0.000) 6.399 29.303 ( 0.000 -0.769 0.000) 0.769 29.303 ( 0.000 0.769 0.000) 0.769 29.812 ( 0.000 -5.512 0.000) 5.512 29.812 ( 0.000 5.512 0.000) 5.512 30.291 ( 0.000 -0.772 0.000) 0.772 30.291 ( 0.000 0.772 0.000) 0.772 30.612 ( 0.000 -6.273 0.000) 6.273 30.612 ( 0.000 6.273 0.000) 6.273 30.767 ( 0.000 -8.548 0.000) 8.548 30.767 ( 0.000 8.548 0.000) 8.548 31.630 ( 0.000 -1.617 0.000) 1.617 31.630 ( 0.000 1.617 0.000) 1.617 32.141 ( 0.000 -4.532 0.000) 4.532 32.141 ( 0.000 4.532 0.000) 4.532 32.845 ( 0.000 -4.810 0.000) 4.810 32.845 ( 0.000 4.810 0.000) 4.810 33.116 ( 0.000 -0.833 0.000) 0.833 33.116 ( 0.000 0.833 0.000) 0.833 ======================= Grid point 22 (14/45) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.030 ( 2.190 -0.513 0.000) 2.249 2.030 ( 2.190 0.513 0.000) 2.249 2.293 ( 2.926 -2.003 0.000) 3.546 2.293 ( 2.926 2.003 0.000) 3.546 2.451 ( 2.835 -5.724 0.000) 6.387 2.451 ( 2.835 5.724 0.000) 6.387 2.670 ( 4.827 -2.325 0.000) 5.358 2.670 ( 4.827 2.325 0.000) 5.358 2.783 ( 3.323 -2.416 0.000) 4.108 2.783 ( 3.323 2.416 0.000) 4.108 2.876 ( 1.280 -0.221 0.000) 1.299 2.876 ( 1.280 0.221 0.000) 1.299 3.066 ( -4.736 -2.902 0.000) 5.554 3.066 ( -4.736 2.902 0.000) 5.554 3.121 ( -8.106 -0.337 0.000) 8.113 3.121 ( -8.106 0.337 0.000) 8.113 3.234 ( 1.291 -2.323 0.000) 2.658 3.234 ( 1.291 2.323 0.000) 2.658 3.383 ( -5.614 -7.321 0.000) 9.226 3.383 ( -5.614 7.321 0.000) 9.226 3.529 ( 2.049 -1.701 0.000) 2.663 3.529 ( 2.049 1.701 0.000) 2.663 3.638 ( 2.712 -0.336 0.000) 2.733 3.638 ( 2.712 0.336 0.000) 2.733 3.722 ( 0.780 -0.665 0.000) 1.025 3.722 ( 0.780 0.665 0.000) 1.025 4.177 ( -7.481 -0.085 0.000) 7.481 4.177 ( -7.481 0.085 0.000) 7.481 4.248 ( 1.192 -1.835 0.000) 2.188 4.248 ( 1.192 1.835 0.000) 2.188 4.603 ( 13.233 -0.033 0.000) 13.233 4.603 ( 13.233 0.033 0.000) 13.233 4.683 ( 5.672 -2.209 0.000) 6.087 4.683 ( 5.672 2.209 0.000) 6.087 4.836 ( 10.410 -7.380 0.000) 12.760 4.836 ( 10.410 7.380 0.000) 12.760 5.003 ( -3.073 -9.500 0.000) 9.984 5.003 ( -3.073 9.500 0.000) 9.984 5.099 ( -0.029 -1.907 0.000) 1.907 5.099 ( -0.029 1.907 0.000) 1.907 5.389 ( -8.765 -1.775 0.000) 8.943 5.389 ( -8.765 1.775 0.000) 8.943 5.538 ( -9.627 -3.871 0.000) 10.376 5.538 ( -9.627 3.871 0.000) 10.376 5.682 ( -10.412 -2.887 0.000) 10.805 5.682 ( -10.412 2.887 0.000) 10.805 5.904 ( -3.090 -9.232 0.000) 9.736 5.904 ( -3.090 9.232 0.000) 9.736 6.088 ( -0.928 -2.496 0.000) 2.663 6.088 ( -0.928 2.496 0.000) 2.663 6.242 ( 2.948 -8.547 0.000) 9.041 6.242 ( 2.948 8.547 0.000) 9.041 6.395 ( -4.517 -7.497 0.000) 8.753 6.395 ( -4.517 7.497 0.000) 8.753 6.514 ( -1.612 -0.555 0.000) 1.705 6.514 ( -1.612 0.555 0.000) 1.705 6.609 ( 0.413 -1.538 0.000) 1.592 6.609 ( 0.413 1.538 0.000) 1.592 6.822 ( -0.172 -4.985 0.000) 4.988 6.822 ( -0.172 4.985 0.000) 4.988 7.073 ( 8.999 -2.631 0.000) 9.376 7.073 ( 8.999 2.631 0.000) 9.376 7.195 ( 6.816 -1.985 0.000) 7.099 7.195 ( 6.816 1.985 0.000) 7.099 7.432 ( 1.786 -1.353 0.000) 2.240 7.432 ( 1.786 1.353 0.000) 2.240 7.609 ( -2.626 -0.202 0.000) 2.634 7.609 ( -2.626 0.202 0.000) 2.634 7.777 ( 1.923 -6.463 0.000) 6.743 7.777 ( 1.923 6.463 0.000) 6.743 7.838 ( 0.840 -3.497 0.000) 3.596 7.838 ( 0.840 3.497 0.000) 3.596 7.996 ( -2.438 -2.349 0.000) 3.385 7.996 ( -2.438 2.349 0.000) 3.385 8.265 ( -5.213 -1.731 0.000) 5.493 8.265 ( -5.213 1.731 0.000) 5.493 8.486 ( 7.828 -0.202 0.000) 7.831 8.486 ( 7.828 0.202 0.000) 7.831 8.755 ( 2.869 -2.111 0.000) 3.562 8.755 ( 2.869 2.111 0.000) 3.562 9.029 ( -3.700 -0.505 0.000) 3.735 9.029 ( -3.700 0.505 0.000) 3.735 9.217 ( 1.365 -0.235 0.000) 1.385 9.217 ( 1.365 0.235 0.000) 1.385 9.410 ( 4.716 -0.456 0.000) 4.738 9.410 ( 4.716 0.456 0.000) 4.738 9.629 ( 2.913 -1.925 0.000) 3.492 9.629 ( 2.913 1.925 0.000) 3.492 9.811 ( -2.860 -3.730 0.000) 4.700 9.811 ( -2.860 3.730 0.000) 4.700 9.869 ( 1.215 -1.486 0.000) 1.919 9.869 ( 1.215 1.486 0.000) 1.919 9.968 ( 0.035 -1.063 0.000) 1.063 9.968 ( 0.035 1.063 0.000) 1.063 10.133 ( -7.920 -1.608 0.000) 8.081 10.133 ( -7.920 1.608 0.000) 8.081 10.387 ( -0.718 -1.954 0.000) 2.081 10.387 ( -0.718 1.954 0.000) 2.081 10.426 ( 1.361 -1.302 0.000) 1.884 10.426 ( 1.361 1.302 0.000) 1.884 10.968 ( -3.174 -2.296 0.000) 3.917 10.968 ( -3.174 2.296 0.000) 3.917 11.131 ( 2.736 -2.767 0.000) 3.891 11.131 ( 2.736 2.767 0.000) 3.891 11.304 ( 4.071 -0.551 0.000) 4.108 11.304 ( 4.071 0.551 0.000) 4.108 11.407 ( -1.612 -3.125 0.000) 3.516 11.407 ( -1.612 3.125 0.000) 3.516 11.656 ( -3.179 -4.154 0.000) 5.231 11.656 ( -3.179 4.154 0.000) 5.231 11.759 ( 0.289 -3.335 0.000) 3.348 11.759 ( 0.289 3.335 0.000) 3.348 13.463 ( -4.533 -0.781 0.000) 4.600 13.463 ( -4.533 0.781 0.000) 4.600 13.773 ( 7.927 -0.757 0.000) 7.963 13.773 ( 7.927 0.757 0.000) 7.963 14.770 ( -1.116 -2.278 0.000) 2.537 14.770 ( -1.116 2.278 0.000) 2.537 14.930 ( -1.494 -0.182 0.000) 1.505 14.930 ( -1.494 0.182 0.000) 1.505 15.003 ( -2.619 -1.372 0.000) 2.957 15.003 ( -2.619 1.372 0.000) 2.957 15.299 ( -0.787 -0.793 0.000) 1.117 15.299 ( -0.787 0.793 0.000) 1.117 15.456 ( 2.563 -0.439 0.000) 2.600 15.456 ( 2.563 0.439 0.000) 2.600 15.643 ( -0.528 -0.001 0.000) 0.528 15.643 ( -0.528 0.001 0.000) 0.528 15.977 ( 1.026 -0.005 0.000) 1.026 15.977 ( 1.026 0.005 0.000) 1.026 16.092 ( -0.583 -0.918 0.000) 1.087 16.092 ( -0.583 0.918 0.000) 1.087 16.341 ( -0.738 -0.009 0.000) 0.738 16.341 ( -0.738 0.009 0.000) 0.738 16.536 ( 1.310 -0.001 0.000) 1.310 16.536 ( 1.310 0.001 0.000) 1.310 17.045 ( 0.436 -0.668 0.000) 0.798 17.045 ( 0.436 0.668 0.000) 0.798 17.219 ( -1.638 -0.065 0.000) 1.639 17.219 ( -1.638 0.065 0.000) 1.639 17.337 ( -0.446 -0.259 0.000) 0.516 17.337 ( -0.446 0.259 0.000) 0.516 17.588 ( 0.642 -0.437 0.000) 0.777 17.588 ( 0.642 0.437 0.000) 0.777 18.155 ( 5.254 -0.478 0.000) 5.276 18.155 ( 5.254 0.478 0.000) 5.276 18.456 ( -5.165 -0.141 0.000) 5.167 18.456 ( -5.165 0.141 0.000) 5.167 18.907 ( 1.876 -0.370 0.000) 1.912 18.907 ( 1.876 0.370 0.000) 1.912 19.008 ( -0.645 -3.341 0.000) 3.402 19.008 ( -0.645 3.341 0.000) 3.402 20.478 ( 1.088 -5.647 0.000) 5.750 20.478 ( 1.088 5.647 0.000) 5.750 20.542 ( -1.476 -6.494 0.000) 6.660 20.542 ( -1.476 6.494 0.000) 6.660 22.303 ( 0.719 -6.184 0.000) 6.226 22.303 ( 0.719 6.184 0.000) 6.226 22.361 ( -0.636 -8.636 0.000) 8.659 22.361 ( -0.636 8.636 0.000) 8.659 28.074 ( -0.029 -0.067 0.000) 0.073 28.074 ( -0.029 0.067 0.000) 0.073 28.303 ( -0.772 -0.000 0.000) 0.772 28.303 ( -0.772 0.000 0.000) 0.772 28.482 ( 0.871 -0.293 0.000) 0.919 28.482 ( 0.871 0.293 0.000) 0.919 28.719 ( -0.570 -1.370 0.000) 1.484 28.719 ( -0.570 1.370 0.000) 1.484 28.784 ( 0.440 -2.039 0.000) 2.086 28.784 ( 0.440 2.039 0.000) 2.086 28.951 ( 0.231 -1.065 0.000) 1.090 28.951 ( 0.231 1.065 0.000) 1.090 29.214 ( -0.952 -1.623 0.000) 1.882 29.214 ( -0.952 1.623 0.000) 1.882 29.337 ( 2.435 -0.284 0.000) 2.451 29.337 ( 2.435 0.284 0.000) 2.451 29.850 ( 4.020 -3.674 0.000) 5.446 29.850 ( 4.020 3.674 0.000) 5.446 30.178 ( -9.720 -0.393 0.000) 9.727 30.178 ( -9.720 0.393 0.000) 9.727 30.617 ( 0.418 -3.428 0.000) 3.454 30.617 ( 0.418 3.428 0.000) 3.454 30.752 ( -1.175 -3.455 0.000) 3.650 30.752 ( -1.175 3.455 0.000) 3.650 31.741 ( 9.190 -1.787 0.000) 9.363 31.741 ( 9.190 1.787 0.000) 9.363 32.108 ( -3.365 -3.168 0.000) 4.622 32.108 ( -3.365 3.168 0.000) 4.622 32.856 ( 1.026 -3.647 0.000) 3.789 32.856 ( 1.026 3.647 0.000) 3.789 33.085 ( -2.607 -0.632 0.000) 2.682 33.085 ( -2.607 0.632 0.000) 2.682 ======================= Grid point 24 (15/45) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.059 ( 0.000 0.000 0.000) 0.000 2.059 ( 0.000 0.000 0.000) 0.000 2.306 ( 0.000 0.000 0.000) 0.000 2.306 ( 0.000 0.000 0.000) 0.000 2.492 ( 0.000 0.000 0.000) 0.000 2.492 ( 0.000 0.000 0.000) 0.000 2.796 ( -0.000 0.000 0.000) 0.000 2.796 ( -0.000 0.000 0.000) 0.000 2.839 ( 0.000 0.000 0.000) 0.000 2.839 ( 0.000 0.000 0.000) 0.000 2.904 ( -0.000 -0.000 0.000) 0.000 2.904 ( -0.000 -0.000 0.000) 0.000 2.932 ( 0.000 0.000 0.000) 0.000 2.932 ( 0.000 0.000 0.000) 0.000 3.005 ( 0.000 0.000 0.000) 0.000 3.005 ( 0.000 0.000 0.000) 0.000 3.218 ( -0.000 0.000 0.000) 0.000 3.218 ( -0.000 0.000 0.000) 0.000 3.395 ( 0.000 0.000 0.000) 0.000 3.395 ( 0.000 0.000 0.000) 0.000 3.562 ( 0.000 -0.000 0.000) 0.000 3.562 ( 0.000 -0.000 0.000) 0.000 3.662 ( 0.000 0.000 0.000) 0.000 3.662 ( 0.000 0.000 0.000) 0.000 3.736 ( 0.000 0.000 0.000) 0.000 3.736 ( 0.000 0.000 0.000) 0.000 4.030 ( 0.000 0.000 0.000) 0.000 4.030 ( 0.000 0.000 0.000) 0.000 4.288 ( 0.000 0.000 0.000) 0.000 4.288 ( 0.000 0.000 0.000) 0.000 4.722 ( 0.000 0.000 0.000) 0.000 4.722 ( 0.000 0.000 0.000) 0.000 4.859 ( 0.000 0.000 0.000) 0.000 4.859 ( 0.000 0.000 0.000) 0.000 4.914 ( -0.000 -0.000 0.000) 0.000 4.914 ( -0.000 -0.000 0.000) 0.000 5.035 ( 0.000 0.000 0.000) 0.000 5.035 ( 0.000 0.000 0.000) 0.000 5.086 ( 0.000 -0.000 0.000) 0.000 5.086 ( 0.000 -0.000 0.000) 0.000 5.248 ( 0.000 0.000 0.000) 0.000 5.248 ( 0.000 0.000 0.000) 0.000 5.392 ( 0.000 0.000 0.000) 0.000 5.392 ( 0.000 0.000 0.000) 0.000 5.563 ( 0.000 0.000 0.000) 0.000 5.563 ( 0.000 0.000 0.000) 0.000 5.797 ( 0.000 0.000 0.000) 0.000 5.797 ( 0.000 0.000 0.000) 0.000 6.147 ( -0.000 -0.000 0.000) 0.000 6.147 ( -0.000 -0.000 0.000) 0.000 6.259 ( 0.000 0.000 0.000) 0.000 6.259 ( 0.000 0.000 0.000) 0.000 6.341 ( 0.000 0.000 0.000) 0.000 6.341 ( 0.000 0.000 0.000) 0.000 6.493 ( 0.000 0.000 0.000) 0.000 6.493 ( 0.000 0.000 0.000) 0.000 6.621 ( 0.000 0.000 0.000) 0.000 6.621 ( 0.000 0.000 0.000) 0.000 6.803 ( 0.000 0.000 0.000) 0.000 6.803 ( 0.000 0.000 0.000) 0.000 7.191 ( 0.000 0.000 0.000) 0.000 7.191 ( 0.000 0.000 0.000) 0.000 7.324 ( 0.000 0.000 0.000) 0.000 7.324 ( 0.000 0.000 0.000) 0.000 7.389 ( 0.000 0.000 0.000) 0.000 7.389 ( 0.000 0.000 0.000) 0.000 7.604 ( 0.000 0.000 0.000) 0.000 7.604 ( 0.000 0.000 0.000) 0.000 7.791 ( 0.000 0.000 0.000) 0.000 7.791 ( 0.000 0.000 0.000) 0.000 7.829 ( 0.000 0.000 0.000) 0.000 7.829 ( 0.000 0.000 0.000) 0.000 7.999 ( 0.000 0.000 0.000) 0.000 7.999 ( 0.000 0.000 0.000) 0.000 8.183 ( 0.000 0.000 0.000) 0.000 8.183 ( 0.000 0.000 0.000) 0.000 8.595 ( 0.000 0.000 0.000) 0.000 8.595 ( 0.000 0.000 0.000) 0.000 8.781 ( 0.000 0.000 0.000) 0.000 8.781 ( 0.000 0.000 0.000) 0.000 8.990 ( 0.000 0.000 0.000) 0.000 8.990 ( 0.000 0.000 0.000) 0.000 9.225 ( 0.000 0.000 0.000) 0.000 9.225 ( 0.000 0.000 0.000) 0.000 9.471 ( 0.000 0.000 0.000) 0.000 9.471 ( 0.000 0.000 0.000) 0.000 9.698 ( -0.000 0.000 0.000) 0.000 9.698 ( -0.000 0.000 0.000) 0.000 9.746 ( 0.000 0.000 0.000) 0.000 9.746 ( 0.000 0.000 0.000) 0.000 9.897 ( 0.000 0.000 0.000) 0.000 9.897 ( 0.000 0.000 0.000) 0.000 9.966 ( 0.000 0.000 0.000) 0.000 9.966 ( 0.000 0.000 0.000) 0.000 10.024 ( 0.000 0.000 0.000) 0.000 10.024 ( 0.000 0.000 0.000) 0.000 10.377 ( 0.000 0.000 0.000) 0.000 10.377 ( 0.000 0.000 0.000) 0.000 10.437 ( 0.000 0.000 0.000) 0.000 10.437 ( 0.000 0.000 0.000) 0.000 10.935 ( 0.000 0.000 0.000) 0.000 10.935 ( 0.000 0.000 0.000) 0.000 11.165 ( -0.000 0.000 0.000) 0.000 11.165 ( -0.000 0.000 0.000) 0.000 11.349 ( 0.000 0.000 0.000) 0.000 11.349 ( 0.000 0.000 0.000) 0.000 11.395 ( 0.000 -0.000 0.000) 0.000 11.395 ( 0.000 -0.000 0.000) 0.000 11.611 ( 0.000 0.000 0.000) 0.000 11.611 ( 0.000 0.000 0.000) 0.000 11.762 ( 0.000 0.000 0.000) 0.000 11.762 ( 0.000 0.000 0.000) 0.000 13.419 ( 0.000 0.000 0.000) 0.000 13.419 ( 0.000 0.000 0.000) 0.000 13.862 ( 0.000 0.000 0.000) 0.000 13.862 ( 0.000 0.000 0.000) 0.000 14.750 ( 0.000 0.000 0.000) 0.000 14.750 ( 0.000 0.000 0.000) 0.000 14.919 ( 0.000 0.000 0.000) 0.000 14.919 ( 0.000 0.000 0.000) 0.000 14.968 ( 0.000 0.000 0.000) 0.000 14.968 ( 0.000 0.000 0.000) 0.000 15.291 ( 0.000 0.000 0.000) 0.000 15.291 ( 0.000 0.000 0.000) 0.000 15.486 ( 0.000 0.000 0.000) 0.000 15.486 ( 0.000 0.000 0.000) 0.000 15.636 ( 0.000 0.000 0.000) 0.000 15.636 ( 0.000 0.000 0.000) 0.000 15.990 ( 0.000 0.000 0.000) 0.000 15.990 ( 0.000 0.000 0.000) 0.000 16.084 ( 0.000 0.000 0.000) 0.000 16.084 ( 0.000 0.000 0.000) 0.000 16.333 ( 0.000 0.000 0.000) 0.000 16.333 ( 0.000 0.000 0.000) 0.000 16.552 ( 0.000 0.000 0.000) 0.000 16.552 ( 0.000 0.000 0.000) 0.000 17.051 ( 0.000 0.000 0.000) 0.000 17.051 ( 0.000 0.000 0.000) 0.000 17.198 ( 0.000 0.000 0.000) 0.000 17.198 ( 0.000 0.000 0.000) 0.000 17.332 ( 0.000 0.000 0.000) 0.000 17.332 ( 0.000 0.000 0.000) 0.000 17.595 ( 0.000 0.000 0.000) 0.000 17.595 ( 0.000 0.000 0.000) 0.000 18.245 ( 0.000 0.000 0.000) 0.000 18.245 ( 0.000 0.000 0.000) 0.000 18.368 ( 0.000 0.000 0.000) 0.000 18.368 ( 0.000 0.000 0.000) 0.000 18.932 ( 0.000 0.000 0.000) 0.000 18.932 ( 0.000 0.000 0.000) 0.000 18.997 ( 0.000 0.000 0.000) 0.000 18.997 ( 0.000 0.000 0.000) 0.000 20.504 ( 0.000 0.000 0.000) 0.000 20.504 ( 0.000 0.000 0.000) 0.000 20.511 ( -0.000 -0.000 0.000) 0.000 20.511 ( -0.000 -0.000 0.000) 0.000 22.314 ( 0.000 0.000 0.000) 0.000 22.314 ( 0.000 0.000 0.000) 0.000 22.351 ( 0.000 -0.000 0.000) 0.000 22.351 ( 0.000 -0.000 0.000) 0.000 28.074 ( 0.000 0.000 0.000) 0.000 28.074 ( 0.000 0.000 0.000) 0.000 28.293 ( 0.000 0.000 0.000) 0.000 28.293 ( 0.000 0.000 0.000) 0.000 28.492 ( 0.000 0.000 0.000) 0.000 28.492 ( 0.000 0.000 0.000) 0.000 28.712 ( 0.000 0.000 0.000) 0.000 28.712 ( 0.000 0.000 0.000) 0.000 28.789 ( 0.000 0.000 0.000) 0.000 28.789 ( 0.000 0.000 0.000) 0.000 28.954 ( 0.000 0.000 0.000) 0.000 28.954 ( 0.000 0.000 0.000) 0.000 29.204 ( 0.000 0.000 0.000) 0.000 29.204 ( 0.000 0.000 0.000) 0.000 29.366 ( 0.000 0.000 0.000) 0.000 29.366 ( 0.000 0.000 0.000) 0.000 29.963 ( 0.000 0.000 0.000) 0.000 29.963 ( 0.000 0.000 0.000) 0.000 29.996 ( -0.000 0.000 0.000) 0.000 29.996 ( -0.000 0.000 0.000) 0.000 30.623 ( 0.000 0.000 0.000) 0.000 30.623 ( 0.000 0.000 0.000) 0.000 30.737 ( 0.000 -0.000 0.000) 0.000 30.737 ( 0.000 -0.000 0.000) 0.000 31.876 ( 0.000 0.000 0.000) 0.000 31.876 ( 0.000 0.000 0.000) 0.000 32.042 ( 0.000 0.000 0.000) 0.000 32.042 ( 0.000 0.000 0.000) 0.000 32.872 ( 0.000 0.000 0.000) 0.000 32.872 ( 0.000 0.000 0.000) 0.000 33.049 ( 0.000 0.000 0.000) 0.000 33.049 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 45 (16/45) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.729 ( 0.000 0.000 36.459) 36.459 0.779 ( 0.000 0.000 38.284) 38.284 1.488 ( 0.000 0.000 68.195) 68.195 1.870 ( 0.000 0.000 17.225) 17.225 1.950 ( 0.000 0.000 12.382) 12.382 2.301 ( 0.000 0.000 4.118) 4.118 2.443 ( 0.000 0.000 -4.404) 4.404 2.547 ( 0.000 0.000 -6.576) 6.576 2.598 ( 0.000 0.000 -3.585) 3.585 2.622 ( 0.000 0.000 -1.298) 1.298 2.932 ( 0.000 0.000 0.637) 0.637 3.033 ( 0.000 0.000 2.703) 2.703 3.034 ( 0.000 0.000 4.712) 4.712 3.036 ( 0.000 0.000 -6.526) 6.526 3.193 ( 0.000 0.000 5.024) 5.024 3.197 ( 0.000 0.000 -4.806) 4.806 3.334 ( 0.000 0.000 1.032) 1.032 3.398 ( 0.000 0.000 1.787) 1.787 3.431 ( 0.000 0.000 10.775) 10.775 3.431 ( 0.000 0.000 0.461) 0.461 3.528 ( 0.000 0.000 -8.517) 8.517 3.637 ( 0.000 0.000 -16.337) 16.337 3.721 ( 0.000 0.000 -3.862) 3.862 3.783 ( 0.000 0.000 2.921) 2.921 3.791 ( 0.000 0.000 4.402) 4.402 3.862 ( 0.000 0.000 -12.305) 12.305 4.148 ( 0.000 0.000 -0.929) 0.929 4.150 ( 0.000 0.000 -4.195) 4.195 4.219 ( 0.000 0.000 10.618) 10.618 4.330 ( 0.000 0.000 7.759) 7.759 4.619 ( 0.000 0.000 13.058) 13.058 4.673 ( 0.000 0.000 3.624) 3.624 4.677 ( 0.000 0.000 -3.783) 3.783 4.773 ( 0.000 0.000 7.149) 7.149 4.782 ( 0.000 0.000 16.711) 16.711 4.944 ( 0.000 0.000 -0.019) 0.019 5.009 ( 0.000 0.000 -7.894) 7.894 5.083 ( 0.000 0.000 3.593) 3.593 5.168 ( 0.000 0.000 -4.092) 4.092 5.255 ( 0.000 0.000 -8.761) 8.761 5.269 ( 0.000 0.000 -8.480) 8.480 5.374 ( 0.000 0.000 1.345) 1.345 5.441 ( 0.000 0.000 -6.546) 6.546 5.474 ( 0.000 0.000 -6.154) 6.154 5.514 ( 0.000 0.000 1.280) 1.280 5.605 ( 0.000 0.000 12.139) 12.139 5.705 ( 0.000 0.000 -4.038) 4.038 5.853 ( 0.000 0.000 2.043) 2.043 5.946 ( 0.000 0.000 -5.588) 5.588 6.008 ( 0.000 0.000 -3.142) 3.142 6.042 ( 0.000 0.000 0.742) 0.742 6.097 ( 0.000 0.000 2.765) 2.765 6.158 ( 0.000 0.000 1.438) 1.438 6.420 ( 0.000 0.000 -0.742) 0.742 6.486 ( 0.000 0.000 -4.759) 4.759 6.531 ( 0.000 0.000 -3.935) 3.935 6.779 ( 0.000 0.000 0.328) 0.328 6.793 ( 0.000 0.000 -2.711) 2.711 6.807 ( 0.000 0.000 -10.379) 10.379 6.810 ( 0.000 0.000 -16.000) 16.000 6.905 ( 0.000 0.000 -12.588) 12.588 7.019 ( 0.000 0.000 -0.320) 0.320 7.230 ( 0.000 0.000 -0.745) 0.745 7.308 ( 0.000 0.000 -7.645) 7.645 7.438 ( 0.000 0.000 -4.003) 4.003 7.452 ( 0.000 0.000 -15.172) 15.172 7.544 ( 0.000 0.000 -5.297) 5.297 7.678 ( 0.000 0.000 13.557) 13.557 7.802 ( 0.000 0.000 5.493) 5.493 7.887 ( 0.000 0.000 4.914) 4.914 7.942 ( 0.000 0.000 -6.086) 6.086 7.996 ( 0.000 0.000 12.254) 12.254 8.126 ( 0.000 0.000 -6.012) 6.012 8.294 ( 0.000 0.000 5.796) 5.796 8.307 ( 0.000 0.000 -0.572) 0.572 8.394 ( 0.000 0.000 -4.581) 4.581 8.611 ( 0.000 0.000 2.930) 2.930 8.670 ( 0.000 0.000 3.078) 3.078 8.676 ( 0.000 0.000 3.967) 3.967 8.754 ( 0.000 0.000 10.895) 10.895 8.868 ( 0.000 0.000 4.123) 4.123 8.870 ( 0.000 0.000 7.666) 7.666 8.902 ( 0.000 0.000 3.173) 3.173 8.912 ( 0.000 0.000 5.077) 5.077 9.320 ( 0.000 0.000 3.773) 3.773 9.397 ( 0.000 0.000 -3.071) 3.071 9.407 ( 0.000 0.000 -3.249) 3.249 9.425 ( 0.000 0.000 -5.577) 5.577 9.618 ( 0.000 0.000 2.324) 2.324 9.737 ( 0.000 0.000 -7.006) 7.006 9.742 ( 0.000 0.000 3.167) 3.167 9.766 ( 0.000 0.000 -0.737) 0.737 9.810 ( 0.000 0.000 2.806) 2.806 9.856 ( 0.000 0.000 -2.812) 2.812 10.107 ( 0.000 0.000 -1.531) 1.531 10.290 ( 0.000 0.000 4.344) 4.344 10.295 ( 0.000 0.000 5.169) 5.169 10.321 ( 0.000 0.000 -5.468) 5.468 10.604 ( 0.000 0.000 -9.869) 9.869 10.637 ( 0.000 0.000 -6.988) 6.988 10.745 ( 0.000 0.000 6.261) 6.261 10.857 ( 0.000 0.000 14.360) 14.360 11.071 ( 0.000 0.000 7.169) 7.169 11.220 ( 0.000 0.000 3.619) 3.619 11.263 ( 0.000 0.000 -4.658) 4.658 11.391 ( 0.000 0.000 4.634) 4.634 11.430 ( 0.000 0.000 -0.727) 0.727 11.526 ( 0.000 0.000 5.000) 5.000 11.554 ( 0.000 0.000 2.993) 2.993 11.905 ( 0.000 0.000 -4.222) 4.222 11.991 ( 0.000 0.000 -3.955) 3.955 12.551 ( 0.000 0.000 -13.159) 13.159 13.099 ( 0.000 0.000 6.310) 6.310 13.446 ( 0.000 0.000 3.470) 3.470 13.804 ( 0.000 0.000 -12.856) 12.856 13.851 ( 0.000 0.000 -10.218) 10.218 14.441 ( 0.000 0.000 11.276) 11.276 14.607 ( 0.000 0.000 8.090) 8.090 14.795 ( 0.000 0.000 2.725) 2.725 14.846 ( 0.000 0.000 2.867) 2.867 14.892 ( 0.000 0.000 -1.098) 1.098 15.123 ( 0.000 0.000 -6.622) 6.622 15.138 ( 0.000 0.000 -6.465) 6.465 15.205 ( 0.000 0.000 -13.393) 13.393 15.442 ( 0.000 0.000 8.726) 8.726 15.500 ( 0.000 0.000 7.989) 7.989 15.757 ( 0.000 0.000 4.180) 4.180 15.773 ( 0.000 0.000 -0.034) 0.034 16.072 ( 0.000 0.000 -0.250) 0.250 16.113 ( 0.000 0.000 -3.330) 3.330 16.158 ( 0.000 0.000 -3.648) 3.648 16.191 ( 0.000 0.000 -1.591) 1.591 16.192 ( 0.000 0.000 3.905) 3.905 16.337 ( 0.000 0.000 0.928) 0.928 16.366 ( 0.000 0.000 0.146) 0.146 16.511 ( 0.000 0.000 -2.965) 2.965 17.030 ( 0.000 0.000 2.211) 2.211 17.112 ( 0.000 0.000 -0.596) 0.596 17.170 ( 0.000 0.000 -2.362) 2.362 17.249 ( 0.000 0.000 -2.168) 2.168 17.303 ( 0.000 0.000 2.846) 2.846 17.393 ( 0.000 0.000 -0.049) 0.049 17.410 ( 0.000 0.000 -0.764) 0.764 17.459 ( 0.000 0.000 -3.171) 3.171 17.951 ( 0.000 0.000 0.911) 0.911 18.000 ( 0.000 0.000 -0.029) 0.029 18.117 ( 0.000 0.000 0.034) 0.034 18.209 ( 0.000 0.000 -2.425) 2.425 18.631 ( 0.000 0.000 4.182) 4.182 18.799 ( 0.000 0.000 5.184) 5.184 18.910 ( 0.000 0.000 -2.563) 2.563 19.230 ( 0.000 0.000 -5.795) 5.795 20.206 ( 0.000 0.000 6.223) 6.223 20.377 ( 0.000 0.000 7.410) 7.410 20.679 ( 0.000 0.000 -5.066) 5.066 21.306 ( 0.000 0.000 -19.963) 19.963 21.963 ( 0.000 0.000 12.601) 12.601 22.117 ( 0.000 0.000 16.556) 16.556 22.808 ( 0.000 0.000 -5.302) 5.302 23.035 ( 0.000 0.000 -12.947) 12.947 28.033 ( 0.000 0.000 1.809) 1.809 28.106 ( 0.000 0.000 1.436) 1.436 28.185 ( 0.000 0.000 -1.661) 1.661 28.272 ( 0.000 0.000 -3.773) 3.773 28.414 ( 0.000 0.000 0.964) 0.964 28.469 ( 0.000 0.000 1.628) 1.628 28.643 ( 0.000 0.000 0.121) 0.121 28.736 ( 0.000 0.000 -3.315) 3.315 28.829 ( 0.000 0.000 8.783) 8.783 29.023 ( 0.000 0.000 8.392) 8.392 29.059 ( 0.000 0.000 2.932) 2.932 29.166 ( 0.000 0.000 2.581) 2.581 29.318 ( 0.000 0.000 -6.674) 6.674 29.589 ( 0.000 0.000 4.241) 4.241 29.700 ( 0.000 0.000 0.541) 0.541 29.793 ( 0.000 0.000 -0.967) 0.967 29.884 ( 0.000 0.000 -2.921) 2.921 30.224 ( 0.000 0.000 -5.884) 5.884 30.312 ( 0.000 0.000 0.518) 0.518 30.404 ( 0.000 0.000 -1.538) 1.538 30.500 ( 0.000 0.000 0.530) 0.530 30.507 ( 0.000 0.000 0.650) 0.650 30.563 ( 0.000 0.000 -0.622) 0.622 30.575 ( 0.000 0.000 -1.232) 1.232 31.877 ( 0.000 0.000 2.017) 2.017 32.044 ( 0.000 0.000 -1.960) 1.960 32.167 ( 0.000 0.000 3.447) 3.447 32.210 ( 0.000 0.000 -2.386) 2.386 32.235 ( 0.000 0.000 -2.601) 2.601 32.482 ( 0.000 0.000 -3.823) 3.823 32.650 ( 0.000 0.000 3.261) 3.261 32.811 ( 0.000 0.000 -1.077) 1.077 ======================= Grid point 46 (17/45) ======================= q-point: ( 0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( 24.544 0.000 26.580) 36.179 1.099 ( 27.349 0.000 24.519) 36.731 1.873 ( 23.874 0.000 36.724) 43.802 1.947 ( 9.961 0.000 25.839) 27.693 2.048 ( 2.677 0.000 4.944) 5.622 2.128 ( -9.285 0.000 12.103) 15.254 2.379 ( -0.510 0.000 -2.268) 2.325 2.515 ( -0.604 0.000 -3.042) 3.101 2.642 ( 0.882 0.000 -2.458) 2.611 2.671 ( 3.692 0.000 -3.824) 5.315 2.864 ( -13.150 0.000 8.749) 15.794 2.942 ( -0.430 0.000 1.448) 1.510 2.968 ( -6.893 0.000 5.241) 8.659 3.036 ( 0.645 0.000 2.134) 2.229 3.145 ( 6.627 0.000 -3.322) 7.413 3.217 ( -4.456 0.000 -1.279) 4.636 3.319 ( -6.032 0.000 -0.911) 6.100 3.338 ( 1.586 0.000 -0.530) 1.672 3.367 ( -11.962 0.000 4.652) 12.835 3.446 ( 4.494 0.000 0.701) 4.548 3.539 ( -0.000 0.000 3.895) 3.895 3.631 ( -0.240 0.000 -4.526) 4.533 3.696 ( -8.281 0.000 -3.713) 9.075 3.698 ( 0.711 0.000 -7.163) 7.198 3.786 ( -6.145 0.000 -2.362) 6.583 3.847 ( 6.656 0.000 -3.084) 7.336 4.065 ( -3.918 0.000 -2.958) 4.909 4.137 ( 0.844 0.000 -1.919) 2.096 4.191 ( -16.283 0.000 9.537) 18.870 4.394 ( -10.258 0.000 0.217) 10.260 4.435 ( 7.199 0.000 4.089) 8.279 4.684 ( -6.094 0.000 4.066) 7.326 4.728 ( 2.432 0.000 7.871) 8.238 4.773 ( 7.770 0.000 8.982) 11.876 4.778 ( 0.330 0.000 7.263) 7.270 4.925 ( -1.026 0.000 -1.967) 2.219 5.056 ( 2.474 0.000 -3.034) 3.915 5.066 ( -0.471 0.000 -1.600) 1.668 5.159 ( 0.950 0.000 0.867) 1.286 5.260 ( -0.084 0.000 -4.610) 4.610 5.321 ( 4.634 0.000 -2.630) 5.328 5.357 ( -0.410 0.000 -0.185) 0.450 5.466 ( 0.958 0.000 -4.878) 4.971 5.503 ( 1.609 0.000 -2.660) 3.109 5.577 ( 3.990 0.000 -4.894) 6.315 5.698 ( 2.026 0.000 2.350) 3.102 5.731 ( 1.795 0.000 -5.760) 6.033 5.824 ( -2.917 0.000 0.317) 2.935 5.904 ( -0.856 0.000 0.703) 1.107 5.961 ( -3.471 0.000 5.121) 6.186 6.050 ( 6.689 0.000 -2.563) 7.163 6.168 ( 4.163 0.000 -1.657) 4.480 6.228 ( 5.881 0.000 0.169) 5.884 6.368 ( -3.178 0.000 0.122) 3.180 6.499 ( -4.235 0.000 -3.472) 5.476 6.575 ( -8.378 0.000 -1.545) 8.520 6.576 ( 1.743 0.000 -5.421) 5.694 6.688 ( -10.091 0.000 -9.820) 14.081 6.760 ( -5.372 0.000 -4.860) 7.244 6.828 ( -3.239 0.000 -5.855) 6.691 6.965 ( 0.433 0.000 -8.233) 8.244 6.971 ( 2.749 0.000 -12.339) 12.642 7.317 ( 7.755 0.000 -1.970) 8.001 7.331 ( 1.386 0.000 -6.352) 6.501 7.394 ( -0.444 0.000 -8.088) 8.100 7.555 ( 5.478 0.000 -9.972) 11.377 7.567 ( -2.950 0.000 0.753) 3.044 7.671 ( -1.503 0.000 -6.138) 6.320 7.761 ( -2.085 0.000 6.893) 7.201 7.866 ( -1.335 0.000 0.776) 1.544 8.003 ( 2.135 0.000 10.837) 11.045 8.036 ( 6.310 0.000 4.433) 7.712 8.173 ( 1.640 0.000 -2.084) 2.652 8.251 ( -5.846 0.000 2.661) 6.423 8.321 ( 1.934 0.000 -0.794) 2.090 8.396 ( 0.166 0.000 0.112) 0.200 8.539 ( 1.295 0.000 7.955) 8.059 8.708 ( 1.384 0.000 6.539) 6.683 8.718 ( 1.963 0.000 3.482) 3.997 8.753 ( -0.289 0.000 4.941) 4.950 8.852 ( -0.635 0.000 9.686) 9.707 8.885 ( 0.147 0.000 0.954) 0.965 8.956 ( 4.226 0.000 3.014) 5.191 9.001 ( 4.846 0.000 3.503) 5.979 9.337 ( 2.007 0.000 0.901) 2.199 9.395 ( -0.241 0.000 -4.661) 4.667 9.398 ( 2.522 0.000 -3.073) 3.975 9.434 ( 0.546 0.000 -4.093) 4.129 9.597 ( -1.399 0.000 1.443) 2.010 9.677 ( -5.788 0.000 1.845) 6.075 9.777 ( 2.340 0.000 -2.499) 3.424 9.798 ( 3.526 0.000 -4.276) 5.542 9.811 ( 1.006 0.000 -0.631) 1.187 9.886 ( 0.790 0.000 -0.794) 1.120 10.108 ( -0.361 0.000 -0.235) 0.430 10.178 ( -5.609 0.000 1.943) 5.936 10.247 ( -4.167 0.000 0.757) 4.235 10.307 ( -3.190 0.000 7.754) 8.385 10.676 ( 5.652 0.000 0.985) 5.738 10.710 ( 6.237 0.000 -9.053) 10.994 10.792 ( 3.752 0.000 -4.014) 5.495 10.992 ( 7.087 0.000 -0.565) 7.110 11.008 ( -5.791 0.000 5.049) 7.683 11.153 ( -6.386 0.000 -1.324) 6.522 11.275 ( 2.453 0.000 2.857) 3.765 11.378 ( -1.542 0.000 4.241) 4.513 11.432 ( 1.570 0.000 4.181) 4.466 11.506 ( -1.686 0.000 4.570) 4.871 11.650 ( 6.314 0.000 -1.986) 6.619 11.861 ( -4.313 0.000 -3.421) 5.505 11.999 ( 1.283 0.000 -1.476) 1.955 12.255 ( -15.224 0.000 5.330) 16.130 13.180 ( 4.924 0.000 7.452) 8.932 13.396 ( -4.650 0.000 4.652) 6.578 13.820 ( 1.560 0.000 -11.647) 11.751 13.859 ( 0.402 0.000 -10.056) 10.064 14.464 ( 2.294 0.000 10.328) 10.580 14.578 ( -2.175 0.000 7.868) 8.163 14.793 ( -0.147 0.000 2.671) 2.675 14.821 ( -1.519 0.000 2.506) 2.931 15.056 ( 4.551 0.000 -11.384) 12.260 15.108 ( -1.105 0.000 -7.832) 7.909 15.187 ( 4.717 0.000 -11.801) 12.709 15.226 ( 1.564 0.000 -13.205) 13.297 15.448 ( 0.608 0.000 8.571) 8.593 15.489 ( -1.131 0.000 7.477) 7.562 15.755 ( -0.129 0.000 4.497) 4.498 15.767 ( -0.573 0.000 2.509) 2.574 16.049 ( -1.464 0.000 -0.800) 1.668 16.064 ( -2.436 0.000 -2.521) 3.506 16.186 ( 0.465 0.000 3.085) 3.120 16.197 ( 1.381 0.000 -1.050) 1.734 16.241 ( 3.166 0.000 -0.773) 3.259 16.327 ( -0.605 0.000 -0.147) 0.623 16.400 ( 2.377 0.000 -0.192) 2.385 16.500 ( -1.280 0.000 -2.568) 2.869 17.028 ( -0.057 0.000 2.000) 2.001 17.076 ( -2.383 0.000 0.253) 2.396 17.212 ( 1.729 0.000 -2.760) 3.257 17.245 ( -0.423 0.000 -2.036) 2.080 17.392 ( 5.158 0.000 -4.974) 7.166 17.401 ( 0.640 0.000 -0.300) 0.707 17.414 ( 0.390 0.000 -0.914) 0.994 17.460 ( 0.068 0.000 -3.644) 3.645 17.979 ( 1.986 0.000 0.558) 2.062 18.049 ( 4.532 0.000 -1.495) 4.772 18.090 ( -2.513 0.000 0.304) 2.531 18.193 ( -1.726 0.000 -2.551) 3.080 18.652 ( 2.158 0.000 4.508) 4.998 18.773 ( -2.543 0.000 5.184) 5.774 19.035 ( 8.574 0.000 -9.849) 13.058 19.217 ( -1.498 0.000 -6.634) 6.801 20.229 ( 2.240 0.000 6.324) 6.709 20.350 ( -2.563 0.000 7.106) 7.554 20.701 ( 2.471 0.000 -3.675) 4.428 21.034 ( -17.506 0.000 0.605) 17.517 21.957 ( -0.539 0.000 12.747) 12.758 21.977 ( -4.356 0.000 18.382) 18.891 22.964 ( 6.343 0.000 -14.566) 15.887 23.035 ( -0.066 0.000 -13.107) 13.107 28.043 ( 0.993 0.000 1.752) 2.014 28.094 ( -1.093 0.000 1.558) 1.903 28.191 ( 0.707 0.000 -1.676) 1.819 28.250 ( -1.808 0.000 -3.111) 3.598 28.433 ( 1.787 0.000 2.621) 3.173 28.506 ( 3.395 0.000 0.280) 3.406 28.589 ( -5.673 0.000 4.372) 7.163 28.664 ( -4.517 0.000 -0.413) 4.536 28.846 ( 1.673 0.000 9.187) 9.338 28.996 ( -7.644 0.000 13.612) 15.612 29.031 ( 0.771 0.000 7.161) 7.203 29.063 ( -0.999 0.000 4.625) 4.731 29.359 ( 4.041 0.000 -6.329) 7.509 29.572 ( -6.023 0.000 -2.567) 6.547 29.643 ( 5.466 0.000 2.846) 6.162 29.823 ( 0.024 0.000 -4.221) 4.221 29.881 ( -0.132 0.000 -2.271) 2.275 30.128 ( -13.743 0.000 3.265) 14.126 30.221 ( -0.301 0.000 -4.949) 4.958 30.256 ( -4.484 0.000 1.239) 4.652 30.501 ( 0.083 0.000 0.725) 0.730 30.507 ( -0.241 0.000 1.224) 1.248 30.580 ( 0.453 0.000 -1.174) 1.258 30.586 ( 0.928 0.000 -0.801) 1.226 31.959 ( 7.799 0.000 3.163) 8.416 32.166 ( -3.183 0.000 -1.182) 3.395 32.184 ( 7.074 0.000 1.330) 7.198 32.266 ( 1.754 0.000 -3.018) 3.491 32.294 ( 3.551 0.000 -4.517) 5.746 32.575 ( -7.204 0.000 3.281) 7.916 32.630 ( 10.477 0.000 -13.019) 16.711 32.805 ( -0.948 0.000 -2.566) 2.736 ======================= Grid point 47 (18/45) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.547 ( -6.653 0.000 14.294) 15.766 1.547 ( 6.653 0.000 14.294) 15.766 1.696 ( -6.366 0.000 16.002) 17.222 1.696 ( 6.366 0.000 16.002) 17.222 2.325 ( -9.364 0.000 8.249) 12.480 2.325 ( 9.364 0.000 8.249) 12.480 2.486 ( -5.595 0.000 -0.558) 5.623 2.486 ( 5.595 0.000 -0.558) 5.623 2.722 ( -0.003 0.000 2.369) 2.369 2.722 ( 0.003 0.000 2.369) 2.369 2.804 ( -24.020 0.000 10.408) 26.178 2.804 ( 24.020 0.000 10.408) 26.178 2.920 ( -2.370 0.000 9.519) 9.809 2.920 ( 2.370 0.000 9.519) 9.809 3.150 ( -0.102 0.000 2.612) 2.614 3.150 ( 0.102 0.000 2.612) 2.614 3.256 ( -1.186 0.000 -1.224) 1.704 3.256 ( 1.186 0.000 -1.224) 1.704 3.454 ( -4.405 0.000 -4.269) 6.134 3.454 ( 4.405 0.000 -4.269) 6.134 3.545 ( -4.355 0.000 -1.955) 4.774 3.545 ( 4.355 0.000 -1.955) 4.774 3.685 ( -4.540 0.000 2.556) 5.210 3.685 ( 4.540 0.000 2.556) 5.210 3.792 ( -12.389 0.000 -1.532) 12.483 3.792 ( 12.389 0.000 -1.532) 12.483 3.982 ( -5.978 0.000 -4.326) 7.378 3.982 ( 5.978 0.000 -4.326) 7.378 4.222 ( -7.534 0.000 -1.309) 7.647 4.222 ( 7.534 0.000 -1.309) 7.647 4.554 ( -4.747 0.000 0.959) 4.843 4.554 ( 4.747 0.000 0.959) 4.843 4.774 ( -1.807 0.000 8.909) 9.090 4.774 ( 1.807 0.000 8.909) 9.090 4.911 ( -0.610 0.000 3.502) 3.554 4.911 ( 0.610 0.000 3.502) 3.554 5.076 ( -0.353 0.000 -1.495) 1.536 5.076 ( 0.353 0.000 -1.495) 1.536 5.220 ( -3.374 0.000 0.790) 3.465 5.220 ( 3.374 0.000 0.790) 3.465 5.363 ( -0.244 0.000 0.086) 0.259 5.363 ( 0.244 0.000 0.086) 0.259 5.497 ( -0.119 0.000 -4.643) 4.645 5.497 ( 0.119 0.000 -4.643) 4.645 5.634 ( -4.718 0.000 -5.243) 7.053 5.634 ( 4.718 0.000 -5.243) 7.053 5.765 ( -0.369 0.000 -3.396) 3.416 5.765 ( 0.369 0.000 -3.396) 3.416 5.943 ( -0.017 0.000 5.155) 5.155 5.943 ( 0.017 0.000 5.155) 5.155 6.217 ( -2.107 0.000 -2.697) 3.422 6.217 ( 2.107 0.000 -2.697) 3.422 6.330 ( -3.639 0.000 -1.820) 4.069 6.330 ( 3.639 0.000 -1.820) 4.069 6.415 ( -10.143 0.000 3.580) 10.756 6.415 ( 10.143 0.000 3.580) 10.756 6.551 ( -1.877 0.000 -8.928) 9.123 6.551 ( 1.877 0.000 -8.928) 9.123 6.752 ( -1.445 0.000 -3.976) 4.230 6.752 ( 1.445 0.000 -3.976) 4.230 6.985 ( -0.117 0.000 -14.680) 14.680 6.985 ( 0.117 0.000 -14.680) 14.680 7.369 ( -1.797 0.000 -5.269) 5.567 7.369 ( 1.797 0.000 -5.269) 5.567 7.465 ( -5.526 0.000 -3.318) 6.446 7.465 ( 5.526 0.000 -3.318) 6.446 7.638 ( -0.592 0.000 -9.624) 9.642 7.638 ( 0.592 0.000 -9.624) 9.642 7.794 ( -3.840 0.000 6.115) 7.221 7.794 ( 3.840 0.000 6.115) 7.221 8.069 ( -2.825 0.000 12.331) 12.650 8.069 ( 2.825 0.000 12.331) 12.650 8.173 ( -0.000 0.000 -0.831) 0.831 8.173 ( 0.000 0.000 -0.831) 0.831 8.372 ( -2.381 0.000 -1.188) 2.661 8.372 ( 2.381 0.000 -1.188) 2.661 8.642 ( -4.735 0.000 8.161) 9.435 8.642 ( 4.735 0.000 8.161) 9.435 8.760 ( -1.426 0.000 3.405) 3.691 8.760 ( 1.426 0.000 3.405) 3.691 8.858 ( -0.563 0.000 4.310) 4.347 8.858 ( 0.563 0.000 4.310) 4.347 9.028 ( -1.207 0.000 4.499) 4.658 9.028 ( 1.207 0.000 4.499) 4.658 9.388 ( -0.473 0.000 -3.711) 3.741 9.388 ( 0.473 0.000 -3.711) 3.741 9.451 ( -0.000 0.000 -4.988) 4.988 9.451 ( 0.000 0.000 -4.988) 4.988 9.580 ( -1.406 0.000 2.063) 2.496 9.580 ( 1.406 0.000 2.063) 2.496 9.820 ( -0.228 0.000 -3.599) 3.606 9.820 ( 0.228 0.000 -3.599) 3.606 9.866 ( -2.789 0.000 -1.424) 3.131 9.866 ( 2.789 0.000 -1.424) 3.131 10.105 ( -0.341 0.000 1.363) 1.405 10.105 ( 0.341 0.000 1.363) 1.405 10.228 ( -2.801 0.000 6.172) 6.778 10.228 ( 2.801 0.000 6.172) 6.778 10.782 ( -0.376 0.000 -2.613) 2.640 10.782 ( 0.376 0.000 -2.613) 2.640 10.879 ( -3.289 0.000 -7.705) 8.377 10.879 ( 3.289 0.000 -7.705) 8.377 11.060 ( -0.446 0.000 4.443) 4.466 11.060 ( 0.446 0.000 4.443) 4.466 11.333 ( -2.566 0.000 3.536) 4.369 11.333 ( 2.566 0.000 3.536) 4.369 11.470 ( -0.888 0.000 4.080) 4.175 11.470 ( 0.888 0.000 4.080) 4.175 11.761 ( -4.960 0.000 -2.934) 5.762 11.761 ( 4.960 0.000 -2.934) 5.762 12.064 ( -1.316 0.000 3.456) 3.698 12.064 ( 1.316 0.000 3.456) 3.698 13.286 ( -2.376 0.000 7.037) 7.427 13.286 ( 2.376 0.000 7.037) 7.427 13.851 ( -0.065 0.000 -10.339) 10.339 13.851 ( 0.065 0.000 -10.339) 10.339 14.523 ( -0.427 0.000 8.605) 8.616 14.523 ( 0.427 0.000 8.605) 8.616 14.797 ( -0.566 0.000 2.564) 2.625 14.797 ( 0.566 0.000 2.564) 2.625 15.090 ( -0.142 0.000 -9.271) 9.272 15.090 ( 0.142 0.000 -9.271) 9.272 15.243 ( -0.227 0.000 -13.941) 13.942 15.243 ( 0.227 0.000 -13.941) 13.942 15.465 ( -0.429 0.000 8.089) 8.100 15.465 ( 0.429 0.000 8.089) 8.100 15.756 ( -0.094 0.000 4.535) 4.536 15.756 ( 0.094 0.000 4.535) 4.536 16.036 ( -0.044 0.000 -1.641) 1.642 16.036 ( 0.044 0.000 -1.641) 1.642 16.200 ( -0.617 0.000 2.299) 2.381 16.200 ( 0.617 0.000 2.299) 2.381 16.299 ( -0.646 0.000 -1.012) 1.201 16.299 ( 0.646 0.000 -1.012) 1.201 16.457 ( -1.072 0.000 -1.396) 1.760 16.457 ( 1.072 0.000 -1.396) 1.760 17.038 ( -0.746 0.000 1.269) 1.472 17.038 ( 0.746 0.000 1.269) 1.472 17.234 ( -0.107 0.000 -2.060) 2.063 17.234 ( 0.107 0.000 -2.060) 2.063 17.412 ( -0.037 0.000 -0.625) 0.626 17.412 ( 0.037 0.000 -0.625) 0.626 17.453 ( -0.660 0.000 -5.021) 5.064 17.453 ( 0.660 0.000 -5.021) 5.064 18.031 ( -1.565 0.000 0.786) 1.752 18.031 ( 1.565 0.000 0.786) 1.752 18.137 ( -2.367 0.000 -2.552) 3.481 18.137 ( 2.367 0.000 -2.552) 3.481 18.710 ( -1.005 0.000 4.975) 5.075 18.710 ( 1.005 0.000 4.975) 5.075 19.163 ( -1.478 0.000 -9.150) 9.269 19.163 ( 1.478 0.000 -9.150) 9.269 20.288 ( -3.373 0.000 6.627) 7.436 20.288 ( 3.373 0.000 6.627) 7.436 20.793 ( -6.828 0.000 0.522) 6.848 20.793 ( 6.828 0.000 0.522) 6.848 21.948 ( -0.000 0.000 13.792) 13.792 21.948 ( 0.000 0.000 13.792) 13.792 23.027 ( -0.144 0.000 -13.741) 13.742 23.027 ( 0.144 0.000 -13.741) 13.742 28.068 ( -0.809 0.000 1.720) 1.901 28.068 ( 0.809 0.000 1.720) 1.901 28.215 ( -0.849 0.000 -2.212) 2.369 28.215 ( 0.849 0.000 -2.212) 2.369 28.486 ( -3.767 0.000 5.390) 6.576 28.486 ( 3.767 0.000 5.390) 6.576 28.584 ( -4.007 0.000 -0.722) 4.071 28.584 ( 4.007 0.000 -0.722) 4.071 28.895 ( -2.009 0.000 10.817) 11.002 28.895 ( 2.009 0.000 10.817) 11.002 29.048 ( -0.082 0.000 5.080) 5.080 29.048 ( 0.082 0.000 5.080) 5.080 29.461 ( -5.147 0.000 -5.381) 7.446 29.461 ( 5.147 0.000 -5.381) 7.446 29.780 ( -5.978 0.000 -4.097) 7.247 29.780 ( 5.978 0.000 -4.097) 7.247 29.909 ( -5.050 0.000 2.897) 5.822 29.909 ( 5.050 0.000 2.897) 5.822 30.218 ( -0.043 0.000 -2.366) 2.367 30.218 ( 0.043 0.000 -2.366) 2.367 30.504 ( -0.007 0.000 1.098) 1.098 30.504 ( 0.007 0.000 1.098) 1.098 30.589 ( -0.029 0.000 -1.021) 1.022 30.589 ( 0.029 0.000 -1.021) 1.022 32.088 ( -4.909 0.000 1.107) 5.032 32.088 ( 4.909 0.000 1.107) 5.032 32.292 ( -0.401 0.000 -3.306) 3.330 32.292 ( 0.401 0.000 -3.306) 3.330 32.389 ( -7.583 0.000 3.046) 8.172 32.389 ( 7.583 0.000 3.046) 8.172 32.763 ( -0.950 0.000 -7.324) 7.386 32.763 ( 0.950 0.000 -7.324) 7.386 ======================= Grid point 50 (19/45) ======================= q-point: ( 0.00 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( 0.000 23.085 25.390) 34.316 1.080 ( 0.000 25.306 26.385) 36.559 1.859 ( 0.000 22.792 30.880) 38.380 2.017 ( 0.000 20.478 28.004) 34.693 2.081 ( 0.000 8.604 9.621) 12.907 2.304 ( 0.000 0.236 2.688) 2.699 2.459 ( 0.000 2.349 5.404) 5.893 2.551 ( 0.000 0.620 -6.244) 6.275 2.702 ( 0.000 9.149 0.263) 9.152 2.725 ( 0.000 11.463 -4.821) 12.436 2.891 ( 0.000 -8.127 -5.893) 10.039 2.936 ( 0.000 -2.860 5.225) 5.956 2.964 ( 0.000 -3.439 -3.520) 4.921 3.046 ( 0.000 -1.314 8.812) 8.909 3.171 ( 0.000 -7.914 -2.913) 8.433 3.203 ( 0.000 3.126 4.152) 5.197 3.262 ( 0.000 4.026 5.244) 6.611 3.344 ( 0.000 -2.641 2.123) 3.389 3.409 ( 0.000 -1.050 -3.368) 3.528 3.476 ( 0.000 0.891 2.717) 2.859 3.480 ( 0.000 2.074 2.810) 3.493 3.604 ( 0.000 -7.179 -3.686) 8.070 3.754 ( 0.000 -0.148 -3.471) 3.474 3.794 ( 0.000 -0.131 2.574) 2.577 3.823 ( 0.000 -6.942 -6.840) 9.746 3.883 ( 0.000 5.785 4.103) 7.093 4.096 ( 0.000 -3.028 -3.816) 4.872 4.110 ( 0.000 -4.630 1.743) 4.948 4.263 ( 0.000 5.075 -10.184) 11.379 4.390 ( 0.000 4.591 6.811) 8.214 4.439 ( 0.000 -3.174 15.039) 15.370 4.591 ( 0.000 -4.503 -0.602) 4.544 4.658 ( 0.000 -3.927 -0.858) 4.020 4.750 ( 0.000 -11.476 -0.558) 11.489 4.855 ( 0.000 0.831 7.249) 7.297 4.970 ( 0.000 -0.066 3.071) 3.071 5.072 ( 0.000 1.930 3.389) 3.900 5.073 ( 0.000 6.830 -1.403) 6.972 5.141 ( 0.000 0.630 -0.757) 0.985 5.181 ( 0.000 -6.384 -4.109) 7.592 5.305 ( 0.000 -5.591 -1.606) 5.817 5.312 ( 0.000 -4.867 -1.768) 5.178 5.385 ( 0.000 -0.224 -3.301) 3.309 5.425 ( 0.000 4.146 -2.104) 4.650 5.637 ( 0.000 8.474 -2.162) 8.746 5.639 ( 0.000 4.829 -5.244) 7.129 5.844 ( 0.000 10.425 -0.834) 10.459 5.856 ( 0.000 -3.959 3.675) 5.402 5.936 ( 0.000 -8.947 2.026) 9.173 5.952 ( 0.000 3.480 -7.926) 8.656 6.115 ( 0.000 3.487 -2.180) 4.112 6.166 ( 0.000 4.766 5.058) 6.950 6.198 ( 0.000 6.108 -1.508) 6.291 6.321 ( 0.000 -6.372 2.534) 6.857 6.473 ( 0.000 -1.546 -6.624) 6.802 6.600 ( 0.000 5.627 -7.364) 9.268 6.724 ( 0.000 -3.498 -5.425) 6.455 6.764 ( 0.000 -3.507 -8.145) 8.868 6.804 ( 0.000 0.918 -9.447) 9.492 6.877 ( 0.000 5.059 -4.858) 7.014 6.914 ( 0.000 3.300 -4.413) 5.510 7.112 ( 0.000 -12.402 -13.288) 18.176 7.121 ( 0.000 5.903 1.059) 5.997 7.279 ( 0.000 -0.753 1.595) 1.763 7.438 ( 0.000 -2.844 -4.919) 5.682 7.450 ( 0.000 1.674 -1.142) 2.027 7.614 ( 0.000 3.275 -8.942) 9.523 7.712 ( 0.000 -0.001 10.495) 10.495 7.740 ( 0.000 -1.087 0.133) 1.095 7.818 ( 0.000 -7.156 5.245) 8.872 7.958 ( 0.000 2.560 -1.434) 2.935 8.048 ( 0.000 -6.611 -3.148) 7.322 8.141 ( 0.000 8.548 2.367) 8.870 8.172 ( 0.000 -5.775 3.340) 6.671 8.351 ( 0.000 -3.460 -3.083) 4.634 8.373 ( 0.000 0.333 3.403) 3.419 8.584 ( 0.000 -1.575 0.297) 1.603 8.638 ( 0.000 0.130 7.219) 7.220 8.734 ( 0.000 1.874 4.521) 4.894 8.736 ( 0.000 -0.741 8.566) 8.598 8.802 ( 0.000 2.175 4.934) 5.392 8.929 ( 0.000 3.210 -0.640) 3.273 8.957 ( 0.000 0.796 4.570) 4.639 9.028 ( 0.000 7.534 5.557) 9.362 9.295 ( 0.000 -3.387 0.519) 3.426 9.302 ( 0.000 -3.167 -0.768) 3.259 9.473 ( 0.000 4.152 -2.503) 4.848 9.502 ( 0.000 3.403 -2.381) 4.154 9.667 ( 0.000 3.650 4.030) 5.437 9.678 ( 0.000 -0.270 -1.627) 1.649 9.754 ( 0.000 1.596 4.514) 4.788 9.783 ( 0.000 2.278 -0.746) 2.397 9.864 ( 0.000 1.373 -3.740) 3.984 9.927 ( 0.000 5.365 -4.682) 7.121 10.132 ( 0.000 3.063 -2.625) 4.034 10.266 ( 0.000 -0.882 1.758) 1.967 10.306 ( 0.000 -2.164 -2.894) 3.614 10.350 ( 0.000 4.161 2.853) 5.045 10.572 ( 0.000 -2.892 -8.442) 8.923 10.582 ( 0.000 -4.380 -3.139) 5.389 10.752 ( 0.000 1.180 4.048) 4.217 10.867 ( 0.000 1.488 11.804) 11.897 11.124 ( 0.000 3.437 4.946) 6.023 11.247 ( 0.000 3.192 5.616) 6.460 11.257 ( 0.000 -0.824 -4.343) 4.421 11.360 ( 0.000 -2.785 2.879) 4.005 11.395 ( 0.000 -3.986 -1.398) 4.224 11.507 ( 0.000 -1.917 3.452) 3.949 11.558 ( 0.000 0.783 5.491) 5.546 11.832 ( 0.000 -1.393 -2.908) 3.225 11.984 ( 0.000 0.398 -3.546) 3.568 12.435 ( 0.000 -11.713 -4.943) 12.714 13.097 ( 0.000 0.311 3.314) 3.329 13.478 ( 0.000 3.229 5.739) 6.585 13.602 ( 0.000 -9.600 -14.695) 17.553 13.953 ( 0.000 0.068 -2.607) 2.608 14.561 ( 0.000 7.668 -3.063) 8.258 14.777 ( 0.000 -1.774 1.646) 2.420 14.787 ( 0.000 9.335 5.788) 10.983 14.873 ( 0.000 3.093 2.959) 4.281 14.883 ( 0.000 -0.700 -1.198) 1.388 15.136 ( 0.000 0.241 -7.683) 7.687 15.202 ( 0.000 6.042 -8.711) 10.602 15.246 ( 0.000 2.860 -9.214) 9.647 15.459 ( 0.000 1.138 4.943) 5.072 15.482 ( 0.000 -1.447 6.886) 7.037 15.698 ( 0.000 -4.851 5.958) 7.683 15.723 ( 0.000 -4.155 1.787) 4.523 16.009 ( 0.000 -3.090 -1.675) 3.515 16.080 ( 0.000 -2.270 -1.835) 2.919 16.167 ( 0.000 -1.881 3.805) 4.245 16.178 ( 0.000 -1.281 -0.512) 1.379 16.220 ( 0.000 3.259 -3.946) 5.118 16.354 ( 0.000 0.869 -2.245) 2.407 16.414 ( 0.000 3.901 1.595) 4.214 16.509 ( 0.000 0.299 -0.222) 0.372 17.050 ( 0.000 1.729 1.866) 2.544 17.089 ( 0.000 -1.322 -0.588) 1.447 17.171 ( 0.000 0.018 -2.721) 2.721 17.282 ( 0.000 0.044 -3.599) 3.599 17.309 ( 0.000 0.593 3.320) 3.373 17.398 ( 0.000 -0.451 -0.724) 0.853 17.412 ( 0.000 1.878 -0.217) 1.890 17.526 ( 0.000 4.383 -4.489) 6.274 17.970 ( 0.000 1.729 0.674) 1.856 18.009 ( 0.000 1.085 -0.791) 1.343 18.259 ( 0.000 4.678 -2.172) 5.158 18.267 ( 0.000 10.069 -8.025) 12.876 18.616 ( 0.000 0.230 0.156) 0.278 18.874 ( 0.000 5.260 7.636) 9.273 18.882 ( 0.000 -2.425 -4.456) 5.073 19.238 ( 0.000 0.453 -3.255) 3.286 20.233 ( 0.000 2.662 6.257) 6.800 20.389 ( 0.000 1.202 7.222) 7.322 20.713 ( 0.000 2.464 -4.517) 5.145 21.097 ( 0.000 -15.239 -2.311) 15.413 21.828 ( 0.000 -5.437 6.538) 8.503 22.168 ( 0.000 3.630 19.110) 19.452 22.726 ( 0.000 -7.832 -8.752) 11.745 22.988 ( 0.000 -4.672 -8.949) 10.095 28.040 ( 0.000 0.646 1.516) 1.648 28.097 ( 0.000 -0.461 -0.085) 0.469 28.203 ( 0.000 1.166 -1.997) 2.313 28.261 ( 0.000 -1.109 -4.290) 4.431 28.428 ( 0.000 1.165 1.344) 1.779 28.486 ( 0.000 1.766 2.015) 2.679 28.633 ( 0.000 -6.591 5.356) 8.493 28.649 ( 0.000 0.651 0.226) 0.689 28.820 ( 0.000 -0.810 8.767) 8.805 28.969 ( 0.000 -6.636 12.721) 14.348 29.001 ( 0.000 0.142 3.371) 3.374 29.156 ( 0.000 6.770 6.610) 9.462 29.336 ( 0.000 -4.839 -3.211) 5.808 29.482 ( 0.000 -4.609 -8.318) 9.510 29.639 ( 0.000 -13.529 -1.665) 13.631 29.715 ( 0.000 -0.274 -1.575) 1.599 29.901 ( 0.000 0.953 -5.663) 5.743 30.037 ( 0.000 -12.933 -3.852) 13.494 30.288 ( 0.000 -3.084 2.312) 3.854 30.343 ( 0.000 -2.708 -0.186) 2.714 30.427 ( 0.000 -7.243 7.761) 10.616 30.477 ( 0.000 0.381 5.970) 5.982 30.614 ( 0.000 6.892 -0.302) 6.899 30.710 ( 0.000 8.622 -3.452) 9.287 31.826 ( 0.000 -4.766 0.716) 4.820 31.949 ( 0.000 -7.201 -2.231) 7.538 32.252 ( 0.000 2.921 0.168) 2.925 32.301 ( 0.000 8.938 -1.791) 9.115 32.431 ( 0.000 -1.902 -1.346) 2.331 32.493 ( 0.000 12.869 -12.294) 17.798 32.757 ( 0.000 8.395 0.502) 8.410 32.880 ( 0.000 3.954 -1.375) 4.186 ======================= Grid point 51 (20/45) ======================= q-point: ( 0.25 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.253 ( 21.815 16.767 21.300) 34.795 1.331 ( 21.546 20.618 19.746) 35.766 1.995 ( 2.197 9.994 15.553) 18.617 2.083 ( 6.273 8.423 14.557) 17.950 2.201 ( -5.899 8.690 10.330) 14.732 2.275 ( 8.493 13.086 14.329) 21.183 2.413 ( 7.227 7.847 3.998) 11.392 2.543 ( -2.909 1.201 -1.895) 3.674 2.699 ( 0.467 5.004 -2.572) 5.646 2.729 ( 1.711 7.948 -0.716) 8.162 2.826 ( -6.275 -3.102 9.500) 11.800 2.903 ( -1.464 -3.444 -1.900) 4.196 2.982 ( -0.690 -0.888 2.765) 2.984 3.041 ( 1.731 -0.046 0.653) 1.851 3.120 ( -1.807 1.749 0.455) 2.556 3.161 ( -0.470 1.158 4.570) 4.738 3.299 ( -0.807 2.241 -0.656) 2.470 3.380 ( -0.967 0.104 2.369) 2.561 3.400 ( -0.528 -0.046 -1.202) 1.313 3.443 ( 1.390 -2.046 0.503) 2.524 3.503 ( -0.375 -1.819 -0.418) 1.903 3.574 ( -0.144 -3.461 -0.657) 3.526 3.698 ( -6.426 4.316 0.831) 7.786 3.764 ( -4.409 -1.364 0.466) 4.639 3.800 ( 1.261 0.938 -2.740) 3.158 3.872 ( 0.670 1.708 0.582) 1.925 4.025 ( -5.259 -3.167 -4.288) 7.488 4.124 ( -1.266 -1.909 -0.224) 2.302 4.243 ( -9.220 2.931 -2.695) 10.043 4.318 ( -5.166 -2.551 4.036) 7.034 4.498 ( 2.817 -0.046 5.062) 5.793 4.604 ( -2.683 -3.533 1.049) 4.559 4.639 ( -1.217 -4.758 5.463) 7.346 4.708 ( 2.606 -0.160 6.475) 6.981 4.776 ( -2.941 -5.805 4.813) 8.094 4.970 ( 0.475 -0.045 -0.298) 0.562 5.020 ( -2.055 -3.874 0.049) 4.385 5.094 ( 2.547 3.768 1.165) 4.695 5.156 ( 2.403 1.242 -4.403) 5.168 5.216 ( -0.320 -8.907 -2.339) 9.215 5.296 ( -0.385 0.364 -2.340) 2.399 5.341 ( 3.786 -2.098 -1.569) 4.604 5.398 ( 0.266 -1.588 -0.827) 1.810 5.467 ( 2.095 -0.128 -4.312) 4.796 5.636 ( 3.736 3.748 -2.409) 5.815 5.691 ( 0.280 1.049 -1.367) 1.746 5.783 ( -4.625 -4.283 -0.090) 6.304 5.862 ( -2.585 7.716 -1.840) 8.343 5.922 ( 0.581 -1.916 0.467) 2.056 5.979 ( -1.706 2.085 -3.910) 4.748 6.046 ( 2.543 2.801 -0.431) 3.808 6.218 ( 1.082 -2.582 2.060) 3.476 6.277 ( 3.753 4.041 3.462) 6.512 6.328 ( 4.469 6.117 -2.340) 7.928 6.508 ( 0.223 -3.502 -2.787) 4.481 6.559 ( -5.688 -3.098 -9.352) 11.376 6.611 ( -4.770 3.708 -6.276) 8.712 6.693 ( -7.419 4.411 -4.850) 9.900 6.760 ( -1.763 0.406 -6.216) 6.474 6.878 ( -0.721 4.920 -4.730) 6.863 6.972 ( 3.403 1.482 -9.764) 10.446 7.062 ( -1.473 4.136 -4.462) 6.260 7.197 ( 3.276 -10.910 -9.804) 15.029 7.334 ( 5.302 -0.205 -3.076) 6.134 7.388 ( -4.439 -0.032 -4.526) 6.339 7.476 ( 2.014 -3.024 -0.787) 3.717 7.588 ( -0.383 -0.305 -1.570) 1.645 7.710 ( -1.242 1.575 2.371) 3.105 7.752 ( 1.014 0.256 -1.973) 2.234 7.896 ( 2.550 -2.213 4.444) 5.581 7.963 ( 1.417 -2.495 1.701) 3.336 8.057 ( 0.151 -1.678 6.901) 7.104 8.132 ( 2.499 -2.937 -2.012) 4.350 8.222 ( -1.650 1.937 2.232) 3.385 8.311 ( -1.888 -3.547 -0.243) 4.026 8.370 ( -0.737 -2.571 3.348) 4.285 8.542 ( 2.071 1.534 6.130) 6.650 8.684 ( 1.549 -0.730 2.605) 3.117 8.725 ( 0.159 0.278 2.855) 2.872 8.787 ( 0.685 2.229 2.741) 3.599 8.846 ( 4.822 1.254 6.288) 8.023 8.925 ( -1.330 2.402 5.020) 5.722 8.981 ( 4.155 2.696 -1.419) 5.153 9.112 ( 5.339 8.209 6.287) 11.637 9.296 ( -0.140 -0.407 -1.648) 1.704 9.325 ( 2.842 -3.793 -1.289) 4.911 9.449 ( -1.559 1.198 -4.111) 4.557 9.531 ( 1.452 4.629 -1.705) 5.143 9.608 ( -1.021 3.166 4.250) 5.397 9.689 ( -4.130 1.428 2.499) 5.034 9.754 ( 2.771 -0.343 0.870) 2.925 9.801 ( 2.013 0.931 0.451) 2.263 9.878 ( 0.965 1.863 -3.532) 4.109 9.928 ( -0.615 5.747 -4.096) 7.084 10.122 ( -1.483 2.406 -1.994) 3.459 10.183 ( -4.844 -0.475 0.537) 4.896 10.249 ( -3.843 -0.827 0.197) 3.936 10.304 ( -4.327 1.240 4.870) 6.631 10.584 ( 3.970 -6.141 -7.918) 10.778 10.731 ( 7.254 -1.524 -5.945) 9.502 10.790 ( 3.290 -0.017 0.627) 3.349 10.922 ( 2.715 -0.856 6.950) 7.510 11.095 ( -3.784 4.086 3.331) 6.489 11.145 ( -4.648 -1.087 -0.187) 4.777 11.275 ( 0.825 0.438 5.137) 5.221 11.356 ( -1.239 -2.143 3.986) 4.692 11.410 ( 2.183 -2.276 2.710) 4.158 11.506 ( -1.759 0.013 5.403) 5.682 11.628 ( 6.245 -2.455 -1.229) 6.822 11.811 ( -2.247 -1.146 -3.081) 3.982 11.967 ( -1.295 0.802 -3.263) 3.601 12.320 ( -7.509 -2.526 -0.902) 7.973 13.144 ( 3.319 -1.721 2.931) 4.751 13.443 ( -2.355 2.977 7.249) 8.183 13.611 ( 0.298 -8.634 -11.582) 14.449 13.953 ( 0.031 -0.827 -0.945) 1.257 14.487 ( -3.381 8.449 -0.399) 9.109 14.768 ( -0.105 6.559 6.572) 9.286 14.797 ( -0.016 2.038 2.026) 2.873 14.836 ( -1.865 2.306 3.707) 4.747 14.990 ( 5.157 -4.813 -8.936) 11.385 15.142 ( 0.200 1.701 -7.728) 7.916 15.202 ( 0.375 2.107 -9.726) 9.959 15.246 ( -0.007 1.545 -8.687) 8.823 15.454 ( -0.320 0.504 5.933) 5.963 15.484 ( -0.028 -0.457 6.576) 6.592 15.678 ( -1.365 -5.683 5.609) 8.101 15.715 ( -0.698 -4.169 3.932) 5.773 16.008 ( -0.010 -1.926 -1.987) 2.767 16.049 ( -2.093 -1.351 -2.039) 3.220 16.177 ( 0.644 -1.775 3.041) 3.580 16.187 ( 0.553 -0.733 1.519) 1.775 16.238 ( 1.177 -0.375 -5.497) 5.634 16.372 ( 1.928 2.388 -1.294) 3.331 16.432 ( 0.477 3.340 0.391) 3.396 16.517 ( 0.654 1.463 0.766) 1.776 17.042 ( -0.742 1.114 1.250) 1.831 17.072 ( -1.103 -0.174 0.633) 1.284 17.179 ( 0.364 -1.397 -3.271) 3.575 17.264 ( -0.884 0.080 -1.625) 1.852 17.332 ( 1.391 -1.602 1.370) 2.525 17.388 ( -0.539 -1.049 0.437) 1.258 17.463 ( 2.840 1.759 -3.981) 5.197 17.541 ( 1.411 5.147 -4.109) 6.736 17.991 ( 2.012 1.764 0.006) 2.676 18.057 ( 3.975 0.970 -1.764) 4.456 18.194 ( -4.857 7.104 -2.839) 9.061 18.252 ( -1.604 5.687 -2.751) 6.518 18.627 ( 0.906 -0.420 0.164) 1.012 18.854 ( -1.158 5.733 8.024) 9.930 18.976 ( 5.911 -4.333 -9.422) 11.937 19.241 ( 0.271 1.150 -3.423) 3.622 20.254 ( 2.062 2.470 6.259) 7.038 20.364 ( -2.316 1.437 6.954) 7.469 20.723 ( 1.149 1.574 -3.069) 3.635 20.945 ( -10.766 -7.313 2.488) 13.251 21.824 ( -0.205 -4.620 5.823) 7.436 22.124 ( -2.203 6.801 17.964) 19.334 22.806 ( 4.259 -12.052 -13.922) 18.901 23.002 ( 1.104 -4.749 -8.205) 9.544 28.045 ( 0.460 0.188 1.129) 1.233 28.093 ( -0.434 0.005 0.575) 0.721 28.200 ( -0.281 0.244 -2.607) 2.633 28.254 ( -0.458 0.434 -3.283) 3.343 28.437 ( 1.105 0.361 3.001) 3.219 28.517 ( 2.172 0.825 1.846) 2.968 28.569 ( -3.553 -1.055 5.280) 6.451 28.645 ( -1.535 -0.088 -0.178) 1.548 28.830 ( 0.952 -1.246 8.641) 8.782 28.932 ( -2.258 -3.096 11.022) 11.669 29.029 ( 1.289 0.794 2.562) 2.976 29.166 ( 0.660 6.445 6.911) 9.473 29.351 ( 1.730 -3.631 -3.861) 5.575 29.462 ( -1.630 -5.950 -6.222) 8.762 29.653 ( 1.325 -10.542 -1.949) 10.802 29.715 ( 0.772 -1.901 -2.484) 3.222 29.888 ( -0.940 0.647 -5.175) 5.300 30.031 ( -1.699 -8.636 -0.858) 8.843 30.130 ( -8.394 -5.085 4.563) 10.823 30.187 ( -8.755 -2.086 0.964) 9.051 30.450 ( 0.248 -5.816 2.648) 6.395 30.514 ( 0.160 -0.755 3.345) 3.433 30.639 ( 2.397 6.897 -0.583) 7.325 30.707 ( -0.558 7.882 -3.094) 8.486 31.930 ( 9.097 -3.962 1.443) 10.027 32.113 ( 10.379 -6.459 -0.984) 12.264 32.209 ( -3.349 2.229 0.362) 4.040 32.353 ( 1.762 5.279 -0.566) 5.595 32.418 ( 0.452 6.999 -2.641) 7.495 32.514 ( 1.740 2.749 -10.783) 11.263 32.703 ( -4.999 7.370 -0.616) 8.927 32.852 ( -2.153 1.791 -1.451) 3.154 ======================= Grid point 52 (21/45) ======================= q-point: (-0.50 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( 0.000 11.514 13.409) 17.674 1.740 ( -0.000 13.109 14.775) 19.752 1.755 ( 0.000 10.219 12.151) 15.877 1.928 ( 0.000 16.413 15.214) 22.380 2.293 ( -0.000 0.133 3.562) 3.564 2.295 ( 0.000 -1.743 9.861) 10.014 2.545 ( 0.000 1.601 -5.452) 5.682 2.589 ( -0.000 4.339 -0.454) 4.363 2.691 ( 0.000 2.145 0.788) 2.285 2.786 ( 0.000 3.163 11.617) 12.040 2.832 ( -0.000 2.073 -3.337) 3.929 2.890 ( 0.000 7.912 3.957) 8.846 2.974 ( 0.000 4.780 5.529) 7.308 3.070 ( 0.000 8.458 10.550) 13.522 3.109 ( 0.000 -9.284 -1.434) 9.394 3.198 ( -0.000 7.283 -2.719) 7.774 3.255 ( 0.000 7.954 9.317) 12.250 3.277 ( 0.000 2.118 2.252) 3.092 3.374 ( 0.000 8.649 -1.448) 8.769 3.470 ( 0.000 -7.106 4.751) 8.548 3.532 ( 0.000 -2.147 -0.867) 2.316 3.563 ( 0.000 -2.609 2.047) 3.316 3.679 ( 0.000 3.594 2.327) 4.281 3.694 ( -0.000 0.565 0.845) 1.016 3.817 ( -0.000 0.694 -4.104) 4.162 3.872 ( 0.000 5.277 -2.738) 5.946 3.949 ( -0.000 -2.876 -3.809) 4.773 3.950 ( 0.000 -0.461 -0.720) 0.855 4.206 ( -0.000 -1.791 0.707) 1.926 4.220 ( 0.000 -1.436 0.644) 1.574 4.523 ( -0.000 -5.085 0.097) 5.086 4.523 ( 0.000 -2.016 -0.366) 2.049 4.683 ( -0.000 -10.073 10.471) 14.530 4.699 ( 0.000 -1.365 4.922) 5.108 4.843 ( 0.000 -2.699 9.227) 9.614 4.928 ( 0.000 -3.863 -0.236) 3.870 5.061 ( 0.000 -1.068 0.329) 1.117 5.101 ( 0.000 1.567 -6.945) 7.120 5.190 ( 0.000 -2.229 -6.460) 6.834 5.213 ( 0.000 -3.813 2.146) 4.375 5.307 ( 0.000 2.510 -2.504) 3.545 5.355 ( 0.000 0.374 2.198) 2.230 5.416 ( 0.000 -7.017 -4.184) 8.170 5.506 ( 0.000 0.424 -3.959) 3.982 5.638 ( 0.000 -1.443 2.449) 2.842 5.711 ( 0.000 -4.150 -5.066) 6.549 5.762 ( -0.000 3.744 -2.593) 4.554 5.784 ( 0.000 4.982 -2.630) 5.634 5.888 ( 0.000 -0.197 1.785) 1.795 6.010 ( 0.000 0.855 2.730) 2.861 6.098 ( 0.000 -2.897 -6.170) 6.816 6.214 ( 0.000 -1.483 2.168) 2.627 6.337 ( 0.000 -1.772 3.277) 3.726 6.388 ( 0.000 -3.611 -0.233) 3.618 6.477 ( 0.000 10.065 -8.864) 13.412 6.528 ( 0.000 7.671 -5.813) 9.625 6.549 ( 0.000 6.295 -1.011) 6.375 6.566 ( 0.000 0.641 -5.032) 5.073 6.748 ( 0.000 1.886 -7.578) 7.809 6.862 ( 0.000 7.199 -1.845) 7.432 7.032 ( -0.000 4.094 -7.914) 8.910 7.043 ( 0.000 2.728 -14.852) 15.100 7.222 ( 0.000 -11.160 -5.519) 12.451 7.302 ( 0.000 -3.670 -7.567) 8.410 7.455 ( 0.000 -5.043 -7.120) 8.725 7.463 ( 0.000 -0.902 0.134) 0.912 7.628 ( 0.000 5.763 -1.045) 5.857 7.674 ( 0.000 -2.461 -3.801) 4.528 7.763 ( 0.000 -1.565 8.184) 8.332 7.878 ( 0.000 4.695 -2.146) 5.162 8.006 ( 0.000 -9.555 5.958) 11.261 8.088 ( 0.000 2.407 8.662) 8.990 8.132 ( 0.000 3.366 6.919) 7.694 8.182 ( 0.000 -3.931 -3.207) 5.073 8.299 ( 0.000 -7.100 1.043) 7.176 8.349 ( 0.000 -2.578 3.137) 4.060 8.606 ( 0.000 0.675 6.239) 6.275 8.686 ( 0.000 1.109 4.191) 4.335 8.739 ( 0.000 0.041 -0.089) 0.098 8.789 ( 0.000 1.126 1.229) 1.667 8.883 ( 0.000 3.872 4.532) 5.961 8.922 ( 0.000 4.874 8.391) 9.704 9.042 ( 0.000 1.006 -2.767) 2.944 9.162 ( 0.000 9.776 6.407) 11.689 9.312 ( 0.000 -1.087 -6.075) 6.172 9.385 ( 0.000 -2.874 -4.583) 5.410 9.400 ( -0.000 0.194 -1.059) 1.077 9.542 ( 0.000 1.724 -0.680) 1.853 9.617 ( 0.000 3.447 4.696) 5.825 9.635 ( 0.000 4.759 2.472) 5.363 9.784 ( 0.000 -1.969 1.401) 2.416 9.852 ( 0.000 0.324 -0.417) 0.528 9.878 ( 0.000 1.962 -1.424) 2.425 9.911 ( 0.000 5.041 -5.529) 7.482 10.094 ( 0.000 1.908 -1.737) 2.580 10.130 ( 0.000 -0.336 1.534) 1.570 10.207 ( 0.000 -2.001 2.933) 3.550 10.243 ( 0.000 2.389 3.153) 3.956 10.641 ( 0.000 -9.686 -12.464) 15.785 10.832 ( 0.000 2.528 1.598) 2.991 10.839 ( 0.000 -3.194 -3.727) 4.909 10.911 ( -0.000 2.030 -1.881) 2.768 11.010 ( 0.000 -0.884 1.667) 1.887 11.132 ( 0.000 1.808 8.019) 8.220 11.301 ( 0.000 -1.966 7.142) 7.408 11.321 ( 0.000 -0.756 3.043) 3.135 11.435 ( 0.000 -1.717 4.031) 4.382 11.488 ( 0.000 -1.149 4.992) 5.122 11.726 ( 0.000 -1.679 -3.417) 3.808 11.754 ( -0.000 -1.536 -2.972) 3.346 11.951 ( 0.000 1.147 -3.058) 3.266 12.240 ( 0.000 2.197 1.047) 2.434 13.184 ( 0.000 -3.328 1.376) 3.601 13.415 ( 0.000 5.500 11.280) 12.549 13.612 ( 0.000 -9.822 -10.888) 14.664 13.953 ( 0.000 -1.510 0.199) 1.523 14.458 ( 0.000 7.014 -1.178) 7.112 14.771 ( 0.000 9.749 8.084) 12.665 14.795 ( 0.000 0.627 1.930) 2.029 14.811 ( 0.000 1.064 2.742) 2.942 15.039 ( 0.000 -4.008 -11.414) 12.097 15.141 ( 0.000 3.158 -7.443) 8.086 15.214 ( 0.000 -2.206 -12.452) 12.646 15.244 ( -0.000 0.199 -6.870) 6.873 15.450 ( 0.000 0.087 6.451) 6.452 15.483 ( 0.000 0.440 6.887) 6.901 15.663 ( 0.000 -6.305 5.904) 8.638 15.706 ( 0.000 -4.230 5.018) 6.563 16.014 ( -0.000 -0.092 -3.028) 3.029 16.020 ( 0.000 -1.967 -1.288) 2.351 16.184 ( 0.000 -1.426 4.320) 4.550 16.192 ( 0.000 -0.886 1.226) 1.513 16.252 ( 0.000 -2.428 -6.627) 7.057 16.415 ( -0.000 0.460 -3.231) 3.264 16.415 ( 0.000 5.887 2.233) 6.296 16.526 ( 0.000 2.705 1.922) 3.318 17.032 ( 0.000 0.200 0.414) 0.459 17.060 ( 0.000 1.198 1.805) 2.167 17.182 ( 0.000 -2.271 -3.326) 4.027 17.255 ( 0.000 -0.341 -1.234) 1.280 17.350 ( 0.000 -2.415 -0.072) 2.416 17.379 ( 0.000 -1.107 1.553) 1.907 17.491 ( 0.000 1.589 -5.296) 5.530 17.560 ( 0.000 5.684 -3.770) 6.821 18.027 ( 0.000 1.943 -1.605) 2.520 18.116 ( -0.000 5.321 1.879) 5.643 18.123 ( 0.000 0.796 -4.650) 4.718 18.225 ( 0.000 5.990 -1.667) 6.218 18.639 ( 0.000 -1.277 0.052) 1.278 18.839 ( 0.000 6.823 8.790) 11.128 19.041 ( 0.000 -5.987 -11.333) 12.817 19.245 ( 0.000 2.047 -3.681) 4.212 20.304 ( -0.000 1.824 6.206) 6.468 20.312 ( 0.000 2.142 6.759) 7.090 20.759 ( 0.000 -1.339 1.718) 2.178 20.804 ( 0.000 -0.942 -0.536) 1.084 21.822 ( 0.000 -4.268 5.366) 6.857 22.104 ( 0.000 7.527 16.852) 18.457 22.846 ( 0.000 -12.680 -15.878) 20.319 23.015 ( 0.000 -4.930 -7.813) 9.238 28.052 ( 0.000 -0.557 0.429) 0.703 28.086 ( 0.000 0.800 1.610) 1.798 28.196 ( 0.000 -0.795 -3.349) 3.443 28.249 ( 0.000 1.911 -2.287) 2.980 28.464 ( 0.000 -1.716 5.058) 5.341 28.497 ( 0.000 1.089 5.799) 5.900 28.588 ( 0.000 1.187 -1.111) 1.626 28.601 ( -0.000 1.472 -0.029) 1.472 28.845 ( 0.000 -2.204 8.421) 8.705 28.903 ( 0.000 -1.187 10.749) 10.815 29.041 ( 0.000 2.326 1.174) 2.605 29.172 ( 0.000 6.874 6.934) 9.764 29.391 ( 0.000 -5.369 -5.449) 7.650 29.428 ( 0.000 -4.813 -3.717) 6.081 29.671 ( 0.000 -12.015 -7.273) 14.045 29.750 ( 0.000 -2.056 -1.128) 2.345 29.884 ( -0.000 -0.223 2.345) 2.356 29.942 ( 0.000 2.457 -1.385) 2.820 30.077 ( 0.000 -10.517 1.841) 10.677 30.097 ( 0.000 -6.331 -0.831) 6.386 30.454 ( 0.000 -6.219 2.021) 6.539 30.507 ( 0.000 -0.008 3.291) 3.291 30.680 ( -0.000 8.541 -2.035) 8.780 30.686 ( 0.000 5.795 -2.101) 6.164 32.076 ( 0.000 -3.958 0.385) 3.977 32.128 ( 0.000 2.493 2.124) 3.275 32.288 ( 0.000 -0.966 0.413) 1.051 32.292 ( -0.000 -2.859 1.078) 3.056 32.451 ( 0.000 12.704 -7.261) 14.633 32.554 ( -0.000 10.069 0.693) 10.092 32.616 ( 0.000 -3.863 -7.388) 8.337 32.825 ( 0.000 0.030 -2.270) 2.270 ======================= Grid point 55 (22/45) ======================= q-point: ( 0.00 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.508 ( 0.000 26.737 10.941) 28.889 1.621 ( 0.000 27.106 12.219) 29.733 2.109 ( 0.000 9.582 15.459) 18.188 2.167 ( 0.000 1.594 5.497) 5.724 2.279 ( 0.000 -1.440 -0.243) 1.460 2.458 ( 0.000 6.496 11.017) 12.789 2.541 ( 0.000 -3.172 -4.901) 5.837 2.646 ( 0.000 18.876 8.777) 20.817 2.676 ( 0.000 -5.277 -4.727) 7.084 2.870 ( 0.000 0.373 2.779) 2.804 2.924 ( 0.000 -2.401 -6.231) 6.677 2.976 ( 0.000 9.318 0.843) 9.356 3.027 ( 0.000 9.458 4.675) 10.551 3.052 ( 0.000 -0.626 10.996) 11.014 3.092 ( 0.000 0.496 3.559) 3.594 3.260 ( 0.000 -5.813 6.898) 9.020 3.260 ( 0.000 -4.201 -1.708) 4.535 3.373 ( 0.000 13.166 15.609) 20.420 3.424 ( 0.000 1.725 -4.938) 5.231 3.437 ( 0.000 0.166 2.316) 2.322 3.500 ( 0.000 0.061 2.943) 2.944 3.552 ( 0.000 0.389 0.723) 0.821 3.646 ( 0.000 -2.875 0.440) 2.909 3.744 ( 0.000 -1.414 -1.686) 2.200 3.772 ( 0.000 -0.128 1.135) 1.143 3.943 ( 0.000 -0.081 -2.631) 2.633 3.983 ( 0.000 -9.256 1.841) 9.437 4.100 ( 0.000 -9.674 -0.765) 9.704 4.141 ( 0.000 6.445 -4.701) 7.977 4.464 ( 0.000 -0.718 1.957) 2.085 4.526 ( 0.000 -3.321 1.371) 3.593 4.581 ( 0.000 4.478 5.674) 7.229 4.605 ( 0.000 -1.317 0.249) 1.341 4.716 ( 0.000 9.212 -1.065) 9.273 4.756 ( 0.000 -7.329 6.335) 9.687 4.876 ( 0.000 -3.644 0.243) 3.652 4.986 ( 0.000 -9.409 -3.678) 10.102 5.003 ( 0.000 -7.880 0.219) 7.883 5.082 ( 0.000 -2.321 -0.570) 2.390 5.119 ( 0.000 -2.047 -5.406) 5.780 5.314 ( 0.000 2.696 -5.038) 5.713 5.324 ( 0.000 2.924 -3.221) 4.350 5.523 ( 0.000 8.941 -0.515) 8.955 5.545 ( 0.000 6.998 -2.386) 7.393 5.699 ( 0.000 -4.822 3.720) 6.090 5.740 ( 0.000 -1.647 2.475) 2.973 5.750 ( 0.000 4.091 1.621) 4.401 5.894 ( 0.000 8.942 1.820) 9.126 5.995 ( 0.000 5.777 -10.409) 11.905 6.100 ( 0.000 6.956 -6.280) 9.371 6.120 ( 0.000 -4.541 3.273) 5.598 6.192 ( 0.000 0.047 -4.417) 4.417 6.316 ( 0.000 7.048 0.652) 7.078 6.328 ( 0.000 4.791 0.516) 4.819 6.441 ( 0.000 -0.060 -0.187) 0.196 6.609 ( 0.000 -7.870 -8.109) 11.300 6.652 ( 0.000 -3.415 -9.949) 10.518 6.734 ( 0.000 0.919 -6.876) 6.937 6.790 ( 0.000 -1.003 -9.698) 9.750 6.877 ( 0.000 -6.225 -4.138) 7.474 6.976 ( 0.000 1.758 -2.607) 3.144 7.031 ( 0.000 5.234 -3.278) 6.176 7.219 ( 0.000 3.815 6.077) 7.175 7.246 ( 0.000 -0.647 2.307) 2.396 7.369 ( 0.000 -2.640 -5.435) 6.043 7.477 ( 0.000 -1.129 1.039) 1.535 7.565 ( 0.000 -8.755 12.226) 15.037 7.633 ( 0.000 -4.679 -0.265) 4.686 7.705 ( 0.000 -1.885 -6.940) 7.191 7.797 ( 0.000 3.007 5.387) 6.170 7.916 ( 0.000 -4.494 -1.341) 4.690 7.957 ( 0.000 -2.833 -0.470) 2.872 8.085 ( 0.000 -3.496 4.761) 5.907 8.215 ( 0.000 -2.709 -1.309) 3.008 8.338 ( 0.000 3.134 -0.837) 3.244 8.339 ( 0.000 -2.709 1.060) 2.909 8.554 ( 0.000 -2.659 -0.756) 2.765 8.642 ( 0.000 -1.210 1.083) 1.624 8.730 ( 0.000 0.303 4.376) 4.386 8.743 ( 0.000 -5.041 4.600) 6.824 8.828 ( 0.000 3.513 2.054) 4.069 8.989 ( 0.000 1.946 -3.999) 4.447 9.014 ( 0.000 5.801 2.814) 6.448 9.125 ( 0.000 2.477 3.494) 4.283 9.287 ( 0.000 1.096 0.759) 1.333 9.290 ( 0.000 4.023 4.452) 6.001 9.550 ( 0.000 3.434 -3.214) 4.704 9.578 ( 0.000 4.975 -0.676) 5.021 9.677 ( 0.000 -0.694 -2.415) 2.513 9.701 ( 0.000 -0.702 1.243) 1.428 9.825 ( 0.000 5.184 7.333) 8.980 9.863 ( 0.000 5.984 6.197) 8.615 9.912 ( 0.000 2.742 -2.429) 3.663 10.008 ( 0.000 3.369 -2.839) 4.406 10.230 ( 0.000 5.739 -4.667) 7.397 10.236 ( 0.000 -2.665 -1.996) 3.329 10.289 ( 0.000 1.687 1.541) 2.285 10.407 ( 0.000 1.106 -1.113) 1.569 10.483 ( 0.000 -5.148 -1.395) 5.334 10.514 ( 0.000 -2.280 -4.805) 5.318 10.807 ( 0.000 4.241 1.695) 4.567 10.905 ( 0.000 1.670 5.993) 6.222 11.162 ( 0.000 0.272 2.468) 2.482 11.227 ( 0.000 -2.313 -2.044) 3.087 11.298 ( 0.000 -1.865 0.942) 2.090 11.310 ( 0.000 -3.780 -1.778) 4.177 11.329 ( 0.000 2.564 4.846) 5.482 11.463 ( 0.000 -1.779 0.948) 2.016 11.601 ( 0.000 3.831 8.784) 9.583 11.807 ( 0.000 -3.359 -5.084) 6.093 11.984 ( 0.000 -2.291 -3.032) 3.801 12.139 ( 0.000 -16.108 -2.014) 16.233 13.140 ( 0.000 4.450 -1.944) 4.856 13.455 ( 0.000 -4.358 -13.043) 13.752 13.569 ( 0.000 5.613 8.194) 9.933 13.918 ( 0.000 -3.038 0.937) 3.180 14.693 ( 0.000 5.440 -2.001) 5.796 14.741 ( 0.000 -1.174 0.029) 1.174 14.876 ( 0.000 0.174 -0.682) 0.704 14.896 ( 0.000 3.553 1.435) 3.831 14.957 ( 0.000 4.348 3.572) 5.627 15.144 ( 0.000 0.169 -5.974) 5.976 15.273 ( 0.000 -0.382 -0.933) 1.008 15.294 ( 0.000 2.221 -5.393) 5.833 15.474 ( 0.000 0.567 3.649) 3.692 15.476 ( 0.000 1.088 2.065) 2.334 15.608 ( 0.000 -3.476 3.957) 5.267 15.645 ( 0.000 -2.949 0.358) 2.971 15.984 ( 0.000 0.406 -0.641) 0.759 16.039 ( 0.000 -1.731 0.807) 1.909 16.124 ( 0.000 -2.215 4.258) 4.800 16.153 ( 0.000 -1.330 -1.188) 1.784 16.271 ( 0.000 1.919 -4.327) 4.733 16.348 ( 0.000 -1.170 -4.097) 4.261 16.488 ( 0.000 3.332 2.682) 4.278 16.532 ( 0.000 1.709 3.062) 3.506 17.064 ( 0.000 -1.172 0.229) 1.194 17.080 ( 0.000 0.807 1.550) 1.747 17.172 ( 0.000 0.242 -3.451) 3.459 17.262 ( 0.000 -1.431 -2.291) 2.701 17.324 ( 0.000 0.854 3.436) 3.541 17.386 ( 0.000 -0.837 -0.520) 0.985 17.462 ( 0.000 2.983 -0.099) 2.984 17.591 ( 0.000 2.056 -2.678) 3.376 18.010 ( 0.000 2.105 -0.168) 2.112 18.034 ( 0.000 1.275 -2.663) 2.953 18.366 ( 0.000 5.436 -1.578) 5.660 18.418 ( 0.000 5.213 -5.877) 7.856 18.656 ( 0.000 3.278 -4.456) 5.532 18.832 ( 0.000 -2.350 -6.865) 7.256 18.970 ( 0.000 4.468 9.727) 10.704 19.235 ( 0.000 -0.970 1.059) 1.436 20.308 ( 0.000 4.848 6.366) 8.002 20.427 ( 0.000 2.740 6.684) 7.224 20.735 ( 0.000 -0.994 1.566) 1.855 20.850 ( 0.000 -9.474 0.732) 9.502 21.794 ( 0.000 1.490 -4.427) 4.671 22.256 ( 0.000 5.293 15.747) 16.613 22.524 ( 0.000 -11.915 -13.467) 17.981 22.861 ( 0.000 -7.838 -2.558) 8.244 28.053 ( 0.000 0.563 0.698) 0.897 28.088 ( 0.000 -0.588 -1.261) 1.391 28.213 ( 0.000 -0.337 -3.792) 3.807 28.233 ( 0.000 -1.564 -5.426) 5.647 28.456 ( 0.000 2.158 4.074) 4.610 28.539 ( 0.000 3.586 3.186) 4.797 28.596 ( 0.000 2.207 3.970) 4.542 28.667 ( 0.000 1.015 0.442) 1.107 28.805 ( 0.000 -0.567 7.429) 7.451 28.892 ( 0.000 -2.892 7.855) 8.371 29.028 ( 0.000 2.296 0.757) 2.417 29.203 ( 0.000 -7.636 -2.303) 7.975 29.247 ( 0.000 -3.300 3.145) 4.559 29.358 ( 0.000 -7.249 -6.649) 9.836 29.390 ( 0.000 -5.214 2.131) 5.633 29.671 ( 0.000 -5.253 1.087) 5.365 29.813 ( 0.000 -8.592 -1.494) 8.721 29.952 ( 0.000 3.947 -6.869) 7.923 30.181 ( 0.000 -5.170 3.506) 6.247 30.314 ( 0.000 -0.716 0.208) 0.746 30.343 ( 0.000 -0.989 0.526) 1.120 30.563 ( 0.000 6.283 7.287) 9.621 30.693 ( 0.000 0.401 -2.636) 2.667 30.828 ( 0.000 3.436 -5.261) 6.283 31.715 ( 0.000 -5.707 -0.872) 5.773 31.803 ( 0.000 -7.143 -2.158) 7.462 32.236 ( 0.000 -3.794 4.922) 6.215 32.374 ( 0.000 -2.275 -3.500) 4.174 32.512 ( 0.000 9.041 -1.130) 9.111 32.723 ( 0.000 10.997 -4.969) 12.068 32.929 ( 0.000 8.266 -0.883) 8.313 32.944 ( 0.000 3.311 -0.486) 3.346 ======================= Grid point 56 (23/45) ======================= q-point: ( 0.25 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( 12.889 20.331 11.450) 26.657 1.793 ( 14.220 23.574 11.035) 29.660 2.128 ( -2.660 3.869 7.080) 8.496 2.217 ( -0.580 3.229 10.747) 11.236 2.317 ( 9.353 4.470 2.648) 10.699 2.413 ( -4.117 5.088 5.505) 8.553 2.535 ( -2.290 -0.112 -1.344) 2.658 2.589 ( -2.935 1.652 0.750) 3.450 2.728 ( -0.554 1.266 -2.215) 2.611 2.806 ( -2.382 -0.014 7.690) 8.051 2.920 ( -0.118 6.354 1.363) 6.500 2.969 ( 0.389 2.134 1.096) 2.431 3.025 ( 4.024 8.788 0.204) 9.668 3.067 ( 0.886 2.087 0.904) 2.441 3.152 ( 2.744 -1.375 3.619) 4.746 3.255 ( 0.961 -4.450 6.570) 7.993 3.298 ( 1.124 1.094 6.626) 6.809 3.345 ( -1.304 4.489 3.725) 5.977 3.396 ( 0.948 2.127 -3.673) 4.349 3.500 ( 2.861 4.018 3.317) 5.944 3.517 ( -0.608 3.397 2.310) 4.152 3.552 ( 1.965 1.921 3.640) 4.561 3.667 ( 1.674 -4.209 1.817) 4.881 3.732 ( -0.711 -1.340 3.304) 3.635 3.788 ( 2.421 0.638 -1.089) 2.731 3.923 ( -1.305 0.412 -1.323) 1.903 3.990 ( 0.093 -1.457 -1.056) 1.801 4.078 ( -0.185 -0.079 -0.183) 0.272 4.209 ( -1.783 -2.062 -3.808) 4.683 4.315 ( -6.788 0.075 0.601) 6.815 4.474 ( -2.041 -1.715 -0.037) 2.666 4.522 ( -6.732 -2.466 5.081) 8.787 4.597 ( -3.672 -3.986 2.520) 5.977 4.668 ( -5.411 -0.021 6.337) 8.333 4.808 ( 1.478 0.253 4.354) 4.605 4.907 ( 1.760 3.222 2.698) 4.556 4.941 ( 1.096 -5.111 -3.196) 6.127 5.067 ( 0.287 -2.368 1.424) 2.777 5.125 ( 3.475 -0.512 -5.642) 6.646 5.182 ( 1.239 -5.543 -1.666) 5.919 5.207 ( 4.951 -1.243 -6.134) 7.980 5.304 ( -3.737 -0.732 -5.598) 6.770 5.467 ( -2.059 4.876 -0.684) 5.337 5.579 ( -3.022 7.145 1.141) 7.841 5.643 ( -2.756 -2.267 0.285) 3.580 5.737 ( -3.597 1.732 -1.280) 4.192 5.757 ( -0.723 4.551 1.532) 4.857 5.802 ( 0.858 -1.385 -0.295) 1.655 5.983 ( -5.296 -1.236 -0.543) 5.465 6.030 ( -3.787 2.608 -7.171) 8.519 6.138 ( 0.741 5.071 -3.194) 6.039 6.200 ( -1.975 -1.415 2.143) 3.240 6.351 ( -3.031 1.473 0.268) 3.380 6.395 ( 7.631 1.803 1.186) 7.931 6.448 ( 1.329 -1.382 -4.736) 5.109 6.515 ( 1.578 1.544 -4.126) 4.680 6.688 ( -0.909 0.772 -12.679) 12.735 6.762 ( 1.876 1.534 -4.748) 5.331 6.795 ( -1.109 3.957 -7.309) 8.385 6.914 ( 2.062 -6.411 -5.663) 8.799 7.006 ( 3.133 3.209 -5.214) 6.877 7.046 ( 1.109 -2.108 -1.537) 2.835 7.127 ( -3.271 5.266 2.059) 6.532 7.295 ( 2.593 -1.782 -1.111) 3.336 7.400 ( 1.708 -0.613 -3.963) 4.359 7.456 ( -5.653 0.769 -0.144) 5.707 7.551 ( 1.026 -3.658 -0.075) 3.799 7.657 ( 3.287 -9.222 6.845) 11.946 7.727 ( 0.778 -2.691 -4.442) 5.251 7.823 ( 0.089 1.976 6.578) 6.869 7.927 ( 1.008 -5.311 1.408) 5.586 7.985 ( 4.054 -2.911 1.134) 5.117 8.086 ( 1.505 -1.029 4.548) 4.900 8.177 ( -4.410 -5.931 -1.382) 7.519 8.301 ( -3.031 -0.969 2.193) 3.864 8.326 ( -3.132 0.131 3.060) 4.381 8.576 ( 4.635 1.043 1.247) 4.911 8.674 ( 1.658 -1.095 -2.788) 3.423 8.727 ( 0.690 -1.127 -0.372) 1.373 8.807 ( 3.672 -3.231 3.730) 6.151 8.846 ( 0.879 0.678 3.976) 4.128 9.001 ( 1.565 5.965 1.475) 6.341 9.046 ( 3.228 2.595 -1.942) 4.575 9.226 ( 7.183 2.931 3.886) 8.677 9.294 ( 2.062 1.204 -0.083) 2.389 9.326 ( 2.726 3.660 1.530) 4.813 9.498 ( -3.374 3.626 -2.000) 5.341 9.610 ( -0.156 4.245 -1.522) 4.513 9.670 ( 0.076 1.620 -0.475) 1.690 9.709 ( 0.324 0.031 0.940) 0.995 9.790 ( -1.274 4.256 3.174) 5.460 9.837 ( -1.163 3.869 7.931) 8.901 9.919 ( 0.365 1.517 0.478) 1.631 10.036 ( 0.596 4.737 -2.556) 5.416 10.166 ( -4.562 -0.317 -0.095) 4.574 10.204 ( -3.977 0.975 -0.015) 4.094 10.232 ( -2.761 3.401 -3.373) 5.529 10.355 ( -3.175 3.335 -1.062) 4.726 10.471 ( -0.186 -4.804 -6.001) 7.689 10.619 ( 5.796 -7.247 -2.946) 9.736 10.839 ( 3.071 3.614 1.220) 4.897 10.942 ( 2.690 1.710 4.380) 5.417 11.103 ( -6.276 -2.085 -1.300) 6.740 11.176 ( -1.726 2.924 2.478) 4.203 11.279 ( -0.026 -0.946 3.366) 3.497 11.303 ( -0.585 -2.535 0.795) 2.720 11.376 ( 2.365 -0.637 4.523) 5.144 11.529 ( -0.085 1.646 5.077) 5.338 11.573 ( 2.706 -1.634 2.515) 4.039 11.781 ( -2.881 -3.307 -4.624) 6.373 11.984 ( 0.040 -1.184 -3.382) 3.583 12.127 ( -0.845 -14.439 -2.165) 14.625 13.153 ( 1.055 2.811 -2.342) 3.808 13.470 ( 1.393 -0.571 -8.831) 8.958 13.546 ( -1.935 2.763 6.395) 7.230 13.932 ( 0.939 -0.659 2.242) 2.519 14.668 ( -1.573 7.277 -2.728) 7.929 14.775 ( 1.864 -0.175 0.266) 1.891 14.839 ( -2.081 1.119 2.561) 3.484 14.911 ( 1.066 -2.051 -4.160) 4.759 14.939 ( -1.290 4.618 3.903) 6.182 15.157 ( 0.876 -0.131 -5.409) 5.481 15.229 ( -3.136 -0.455 -2.071) 3.785 15.289 ( -0.646 2.406 -4.242) 4.920 15.469 ( -0.404 0.862 3.528) 3.654 15.484 ( 0.462 0.635 3.367) 3.457 15.593 ( -1.078 -2.890 2.426) 3.925 15.642 ( -0.223 -2.141 2.130) 3.028 15.986 ( 0.106 -0.366 -0.523) 0.647 16.027 ( -0.766 -0.782 -0.994) 1.479 16.140 ( 0.927 -1.821 3.805) 4.319 16.163 ( 0.871 -1.496 0.739) 1.882 16.222 ( -2.668 -1.001 -5.923) 6.573 16.408 ( 3.653 1.293 -2.982) 4.889 16.498 ( 0.473 2.808 2.839) 4.021 16.548 ( 1.238 1.544 3.161) 3.729 17.050 ( -0.921 -0.309 0.166) 0.985 17.079 ( -0.185 0.545 1.550) 1.653 17.163 ( -0.756 -0.342 -3.509) 3.605 17.245 ( -1.065 -1.328 -1.625) 2.353 17.321 ( -0.403 -0.249 1.878) 1.937 17.385 ( 0.056 0.647 2.649) 2.727 17.485 ( 1.615 0.842 -3.925) 4.327 17.614 ( 1.769 2.192 -1.465) 3.175 18.037 ( 2.461 2.370 -1.627) 3.784 18.082 ( 4.191 1.462 -3.508) 5.658 18.317 ( -5.276 5.331 -1.761) 7.704 18.373 ( -2.517 5.479 -2.442) 6.505 18.654 ( 0.026 2.786 -3.865) 4.765 18.891 ( 4.092 -3.260 -9.300) 10.671 18.967 ( -0.285 4.770 9.697) 10.811 19.240 ( 0.420 -1.253 1.567) 2.050 20.324 ( 1.532 4.518 6.258) 7.869 20.408 ( -1.775 3.038 6.502) 7.393 20.734 ( -0.062 -1.089 1.788) 2.095 20.801 ( -3.735 -6.611 1.216) 7.690 21.794 ( -0.041 1.448 -4.392) 4.625 22.247 ( -0.591 6.064 15.330) 16.496 22.550 ( 1.809 -13.471 -15.013) 20.251 22.867 ( 0.471 -8.248 -2.095) 8.523 28.048 ( -0.370 -0.029 -0.413) 0.555 28.093 ( 0.391 0.013 0.068) 0.398 28.189 ( -1.252 -1.180 -4.689) 4.995 28.258 ( 1.309 -0.462 -4.496) 4.706 28.452 ( -0.236 1.758 4.956) 5.264 28.545 ( -0.075 2.759 5.097) 5.796 28.600 ( 1.127 3.537 1.023) 3.851 28.664 ( -0.511 1.585 -0.015) 1.665 28.806 ( 0.089 -1.129 7.194) 7.282 28.883 ( -0.739 -2.370 7.831) 8.215 29.056 ( 2.200 1.687 -0.034) 2.772 29.209 ( 0.466 -6.715 -1.813) 6.971 29.252 ( 0.441 -5.918 0.990) 6.017 29.353 ( -0.504 -2.193 -0.463) 2.297 29.394 ( 0.588 -9.601 -2.923) 10.053 29.687 ( 1.540 -4.416 2.366) 5.241 29.829 ( 1.720 -5.361 -1.787) 5.907 29.958 ( 0.654 1.872 -5.319) 5.676 30.066 ( -8.997 -0.976 3.920) 9.863 30.177 ( -9.851 0.402 0.068) 9.859 30.335 ( -1.084 -4.007 -0.136) 4.153 30.568 ( -0.254 5.106 6.589) 8.340 30.713 ( 1.620 -0.372 -4.338) 4.646 30.825 ( -0.319 4.059 -3.962) 5.681 31.827 ( 9.480 -5.473 0.029) 10.947 31.956 ( 12.314 -8.271 -1.866) 14.951 32.197 ( -3.737 -3.313 4.601) 6.791 32.345 ( -3.535 -3.429 -1.651) 5.194 32.560 ( 4.837 8.308 -1.899) 9.799 32.723 ( 0.202 11.556 -4.914) 12.559 32.856 ( -6.136 6.435 -1.046) 8.953 32.908 ( -3.644 5.609 -1.029) 6.768 ======================= Grid point 57 (24/45) ======================= q-point: (-0.50 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.887 ( 0.000 9.782 7.931) 12.594 1.992 ( -0.000 10.475 14.186) 17.634 2.047 ( 0.000 18.349 6.606) 19.502 2.164 ( 0.000 4.332 12.151) 12.900 2.323 ( -0.000 3.131 -1.123) 3.326 2.369 ( 0.000 9.565 5.448) 11.008 2.547 ( 0.000 -0.069 -1.730) 1.731 2.593 ( -0.000 -0.458 0.619) 0.770 2.692 ( 0.000 -0.750 -3.668) 3.744 2.826 ( -0.000 1.024 7.976) 8.042 2.892 ( 0.000 2.260 4.762) 5.271 2.994 ( 0.000 0.231 0.836) 0.867 3.058 ( -0.000 5.247 -3.363) 6.233 3.096 ( 0.000 7.453 0.550) 7.473 3.201 ( 0.000 3.602 7.948) 8.726 3.224 ( -0.000 -7.652 2.510) 8.053 3.319 ( 0.000 -1.435 1.649) 2.186 3.385 ( 0.000 -2.782 -1.652) 3.235 3.399 ( -0.000 2.733 1.650) 3.192 3.488 ( 0.000 5.694 3.492) 6.680 3.521 ( 0.000 -1.348 1.713) 2.180 3.619 ( 0.000 3.973 6.971) 8.023 3.720 ( -0.000 4.032 1.254) 4.223 3.737 ( 0.000 1.065 6.190) 6.281 3.865 ( -0.000 5.007 -5.848) 7.699 3.880 ( 0.000 -2.093 0.178) 2.101 3.978 ( 0.000 3.744 -6.002) 7.074 4.004 ( 0.000 3.627 -0.891) 3.735 4.129 ( -0.000 -5.415 3.007) 6.193 4.258 ( 0.000 10.186 6.335) 11.995 4.439 ( 0.000 -8.506 3.232) 9.099 4.467 ( 0.000 4.208 4.254) 5.983 4.512 ( 0.000 -0.233 4.783) 4.789 4.646 ( 0.000 -10.957 5.349) 12.193 4.814 ( 0.000 4.558 1.513) 4.803 4.836 ( -0.000 -4.304 -3.286) 5.415 5.023 ( 0.000 -0.452 -2.164) 2.210 5.064 ( -0.000 -3.662 0.506) 3.697 5.147 ( 0.000 -1.712 -1.581) 2.331 5.168 ( -0.000 -2.382 -1.113) 2.629 5.334 ( -0.000 1.335 -4.151) 4.361 5.352 ( 0.000 -2.833 -2.566) 3.822 5.439 ( 0.000 -2.518 -4.356) 5.031 5.499 ( 0.000 2.495 -3.414) 4.229 5.569 ( 0.000 0.432 1.140) 1.219 5.667 ( 0.000 4.061 1.962) 4.510 5.824 ( -0.000 -1.162 1.040) 1.560 5.828 ( 0.000 0.366 -2.860) 2.883 5.886 ( 0.000 0.229 -3.156) 3.165 5.979 ( 0.000 -3.660 -0.136) 3.663 6.088 ( 0.000 -0.018 -9.142) 9.142 6.193 ( 0.000 0.628 3.316) 3.375 6.356 ( 0.000 0.695 -1.344) 1.513 6.366 ( -0.000 6.095 7.455) 9.629 6.551 ( 0.000 -7.148 -8.189) 10.870 6.600 ( -0.000 3.853 -2.816) 4.772 6.654 ( 0.000 3.224 -1.109) 3.409 6.742 ( 0.000 11.551 -12.929) 17.338 6.777 ( 0.000 2.846 -7.942) 8.437 6.950 ( 0.000 -8.104 -6.254) 10.236 7.025 ( 0.000 7.124 -2.380) 7.511 7.042 ( 0.000 -4.149 -1.284) 4.343 7.178 ( -0.000 6.073 -0.742) 6.118 7.278 ( 0.000 1.026 -6.240) 6.324 7.359 ( 0.000 -2.899 -6.839) 7.429 7.444 ( 0.000 -0.634 -2.494) 2.573 7.578 ( 0.000 -7.315 1.295) 7.429 7.681 ( -0.000 -1.340 0.492) 1.427 7.739 ( 0.000 -11.512 5.738) 12.863 7.803 ( 0.000 5.465 8.098) 9.769 7.963 ( 0.000 -2.521 -0.968) 2.701 8.051 ( 0.000 -6.732 -0.389) 6.744 8.094 ( 0.000 -5.602 -0.237) 5.607 8.143 ( 0.000 1.732 4.213) 4.555 8.224 ( 0.000 0.398 5.327) 5.342 8.284 ( 0.000 -3.850 6.644) 7.679 8.656 ( 0.000 3.124 1.468) 3.452 8.687 ( 0.000 -0.574 -3.158) 3.210 8.758 ( 0.000 0.095 -3.894) 3.895 8.789 ( -0.000 -0.896 1.731) 1.949 8.887 ( 0.000 -4.320 4.000) 5.888 9.025 ( 0.000 3.812 7.358) 8.286 9.091 ( 0.000 4.114 -4.030) 5.759 9.310 ( 0.000 4.512 6.500) 7.913 9.324 ( -0.000 2.404 -8.125) 8.473 9.402 ( 0.000 3.623 -4.102) 5.472 9.429 ( 0.000 1.914 2.273) 2.971 9.584 ( 0.000 4.525 1.430) 4.746 9.662 ( 0.000 0.372 -1.031) 1.096 9.723 ( 0.000 4.444 3.912) 5.921 9.786 ( 0.000 3.032 5.800) 6.545 9.854 ( 0.000 0.314 0.852) 0.908 9.906 ( 0.000 0.642 3.682) 3.738 10.019 ( 0.000 4.202 -2.760) 5.028 10.131 ( -0.000 1.914 3.336) 3.847 10.134 ( 0.000 -1.251 2.100) 2.444 10.204 ( 0.000 4.144 -5.713) 7.058 10.322 ( 0.000 5.262 -3.316) 6.219 10.470 ( 0.000 -7.007 -8.129) 10.732 10.682 ( 0.000 -9.442 -2.106) 9.674 10.918 ( 0.000 3.421 1.754) 3.844 10.936 ( -0.000 -0.110 -0.544) 0.555 11.015 ( 0.000 2.548 -1.312) 2.866 11.181 ( 0.000 2.268 3.994) 4.593 11.261 ( 0.000 -2.320 8.019) 8.348 11.303 ( 0.000 -1.471 1.336) 1.987 11.407 ( 0.000 -1.102 1.911) 2.206 11.485 ( 0.000 2.740 11.720) 12.036 11.687 ( 0.000 -2.832 -4.035) 4.930 11.695 ( -0.000 -4.449 -3.007) 5.370 11.985 ( 0.000 -0.109 -3.801) 3.803 12.118 ( 0.000 -13.145 -2.411) 13.364 13.166 ( 0.000 1.535 -2.822) 3.212 13.500 ( 0.000 3.964 12.106) 12.739 13.510 ( -0.000 -0.640 -12.571) 12.587 13.942 ( 0.000 1.191 4.005) 4.178 14.649 ( 0.000 9.394 -3.742) 10.112 14.783 ( 0.000 -0.703 2.288) 2.394 14.831 ( 0.000 0.659 2.317) 2.409 14.921 ( 0.000 5.102 4.090) 6.539 14.928 ( 0.000 -5.531 -8.658) 10.275 15.172 ( 0.000 -0.593 2.104) 2.186 15.185 ( -0.000 -0.557 -8.473) 8.491 15.280 ( 0.000 2.757 -4.085) 4.928 15.463 ( 0.000 0.845 4.028) 4.115 15.489 ( 0.000 0.519 4.118) 4.151 15.581 ( 0.000 -2.456 1.399) 2.826 15.639 ( 0.000 -1.326 3.228) 3.490 15.986 ( 0.000 -1.327 -0.161) 1.337 16.019 ( 0.000 0.452 -2.489) 2.530 16.152 ( 0.000 -1.803 3.892) 4.289 16.171 ( -0.000 -1.131 1.940) 2.246 16.195 ( 0.000 -2.483 -7.093) 7.515 16.452 ( 0.000 2.287 -3.562) 4.233 16.498 ( 0.000 2.429 4.215) 4.865 16.563 ( 0.000 1.392 3.242) 3.528 17.039 ( 0.000 0.393 -0.125) 0.412 17.076 ( 0.000 0.344 1.891) 1.922 17.153 ( 0.000 -0.794 -3.602) 3.689 17.234 ( 0.000 -1.268 -1.301) 1.817 17.315 ( 0.000 -1.278 0.471) 1.362 17.387 ( 0.000 1.421 4.631) 4.844 17.504 ( 0.000 -0.145 -5.804) 5.806 17.635 ( 0.000 2.055 -0.818) 2.212 18.074 ( 0.000 2.151 -3.764) 4.336 18.156 ( 0.000 2.127 -7.632) 7.923 18.224 ( 0.000 5.300 3.051) 6.116 18.344 ( 0.000 5.420 -0.595) 5.453 18.655 ( 0.000 2.489 -3.608) 4.384 18.938 ( 0.000 -4.315 -11.126) 11.933 18.962 ( 0.000 5.493 10.081) 11.481 19.245 ( 0.000 -1.588 2.090) 2.625 20.359 ( -0.000 3.849 6.097) 7.210 20.369 ( 0.000 3.669 6.370) 7.351 20.735 ( 0.000 -1.627 3.102) 3.503 20.755 ( 0.000 -3.810 0.346) 3.826 21.793 ( 0.000 1.405 -4.355) 4.576 22.241 ( 0.000 6.566 15.027) 16.399 22.570 ( 0.000 -14.448 -16.329) 21.803 22.873 ( 0.000 -8.640 -1.713) 8.808 28.043 ( 0.000 -0.404 -1.106) 1.177 28.098 ( 0.000 0.391 1.024) 1.096 28.175 ( 0.000 -1.336 -4.942) 5.119 28.272 ( 0.000 -0.020 -4.238) 4.239 28.450 ( 0.000 1.100 5.762) 5.866 28.539 ( 0.000 3.229 5.818) 6.654 28.631 ( 0.000 3.044 -1.741) 3.506 28.645 ( 0.000 2.903 0.595) 2.963 28.807 ( 0.000 -1.852 6.953) 7.195 28.873 ( 0.000 -1.826 8.048) 8.252 29.084 ( 0.000 1.367 -1.096) 1.752 29.214 ( 0.000 -6.227 -0.415) 6.241 29.259 ( 0.000 -8.003 -3.636) 8.790 29.345 ( 0.000 0.225 5.721) 5.726 29.405 ( 0.000 -11.674 -6.669) 13.444 29.712 ( 0.000 -3.442 3.466) 4.885 29.890 ( -0.000 -3.106 0.238) 3.116 29.906 ( 0.000 1.692 0.671) 1.820 30.001 ( -0.000 -3.439 -2.086) 4.023 30.033 ( 0.000 3.605 -0.975) 3.734 30.323 ( 0.000 -5.208 -0.483) 5.231 30.562 ( 0.000 4.894 6.658) 8.263 30.733 ( 0.000 -1.632 -6.637) 6.835 30.820 ( 0.000 5.105 -2.081) 5.513 31.968 ( 0.000 -5.637 -0.102) 5.638 32.117 ( -0.000 -3.811 5.460) 6.659 32.160 ( 0.000 -8.437 -3.254) 9.043 32.251 ( -0.000 -3.129 1.364) 3.414 32.662 ( 0.000 8.063 -3.345) 8.729 32.717 ( 0.000 5.540 -0.447) 5.558 32.757 ( 0.000 13.672 -4.726) 14.465 32.853 ( 0.000 4.504 -1.596) 4.779 ======================= Grid point 60 (25/45) ======================= q-point: ( 0.00 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.906 ( 0.000 11.467 0.167) 11.468 2.061 ( 0.000 13.707 13.551) 19.275 2.181 ( 0.000 -0.973 -1.789) 2.037 2.231 ( 0.000 4.234 4.228) 5.984 2.350 ( 0.000 9.288 5.576) 10.833 2.500 ( 0.000 2.524 -0.814) 2.652 2.549 ( 0.000 3.751 6.928) 7.879 2.649 ( 0.000 -1.133 -0.058) 1.134 2.806 ( 0.000 -2.379 0.657) 2.468 2.854 ( 0.000 -3.421 -3.396) 4.820 2.918 ( 0.000 0.918 12.863) 12.895 2.983 ( 0.000 6.962 -3.810) 7.936 3.016 ( 0.000 -3.045 2.850) 4.171 3.090 ( 0.000 -2.995 4.790) 5.650 3.149 ( 0.000 0.604 7.284) 7.309 3.178 ( 0.000 2.993 1.196) 3.223 3.221 ( 0.000 -0.461 2.728) 2.766 3.396 ( 0.000 -5.298 0.525) 5.324 3.417 ( 0.000 1.277 3.087) 3.341 3.487 ( 0.000 -1.712 -1.790) 2.477 3.542 ( 0.000 -1.377 -2.790) 3.111 3.584 ( 0.000 -2.660 -0.003) 2.660 3.626 ( 0.000 0.959 0.339) 1.018 3.680 ( 0.000 -9.732 5.725) 11.291 3.784 ( 0.000 -0.878 -0.950) 1.294 3.793 ( 0.000 -4.472 7.591) 8.811 4.111 ( 0.000 13.670 -1.552) 13.758 4.190 ( 0.000 13.580 -6.996) 15.276 4.260 ( 0.000 6.530 6.210) 9.012 4.372 ( 0.000 -7.760 -1.578) 7.919 4.423 ( 0.000 -3.776 8.963) 9.726 4.507 ( 0.000 -7.367 2.275) 7.710 4.535 ( 0.000 2.046 -0.419) 2.088 4.780 ( 0.000 -1.411 0.093) 1.414 4.787 ( 0.000 -5.173 2.420) 5.711 4.831 ( 0.000 0.715 -0.888) 1.141 4.846 ( 0.000 -6.124 8.059) 10.122 4.938 ( 0.000 7.118 1.041) 7.193 5.130 ( 0.000 4.728 6.034) 7.666 5.156 ( 0.000 1.483 -5.485) 5.682 5.379 ( 0.000 7.107 -12.657) 14.516 5.408 ( 0.000 4.488 -5.448) 7.059 5.499 ( 0.000 -1.769 -4.498) 4.834 5.562 ( 0.000 -4.034 -2.709) 4.859 5.731 ( 0.000 0.359 0.535) 0.644 5.818 ( 0.000 7.175 3.909) 8.171 5.836 ( 0.000 -1.200 -8.923) 9.003 5.942 ( 0.000 -3.268 -5.133) 6.085 6.052 ( 0.000 1.848 2.521) 3.126 6.119 ( 0.000 9.203 1.135) 9.272 6.126 ( 0.000 -3.262 -5.306) 6.228 6.267 ( 0.000 1.762 -1.560) 2.353 6.395 ( 0.000 5.475 -0.103) 5.475 6.401 ( 0.000 -6.478 -4.879) 8.109 6.484 ( 0.000 2.679 0.802) 2.797 6.515 ( 0.000 7.886 0.058) 7.887 6.664 ( 0.000 2.298 -2.394) 3.319 6.684 ( 0.000 -3.668 -4.336) 5.679 6.794 ( 0.000 -0.510 -6.952) 6.971 6.823 ( 0.000 -1.104 -0.980) 1.476 6.957 ( 0.000 -3.341 0.870) 3.453 7.016 ( 0.000 -3.532 1.989) 4.054 7.245 ( 0.000 -0.447 5.740) 5.758 7.254 ( 0.000 -3.213 6.128) 6.920 7.372 ( 0.000 2.082 -2.264) 3.076 7.375 ( 0.000 -2.359 3.615) 4.317 7.514 ( 0.000 0.885 -4.471) 4.558 7.555 ( 0.000 -3.101 -5.579) 6.383 7.652 ( 0.000 -1.020 0.067) 1.022 7.807 ( 0.000 -3.490 0.403) 3.513 7.906 ( 0.000 0.062 3.574) 3.575 7.919 ( 0.000 2.161 0.477) 2.213 8.030 ( 0.000 -1.088 4.174) 4.314 8.138 ( 0.000 -4.184 1.023) 4.307 8.289 ( 0.000 -1.965 -4.282) 4.712 8.364 ( 0.000 -1.513 -1.460) 2.102 8.467 ( 0.000 -4.995 2.783) 5.718 8.502 ( 0.000 -9.252 -1.721) 9.411 8.704 ( 0.000 1.172 5.416) 5.541 8.740 ( 0.000 0.211 0.341) 0.401 8.916 ( 0.000 3.997 -4.987) 6.392 9.003 ( 0.000 -0.272 -5.257) 5.264 9.128 ( 0.000 4.615 -0.301) 4.625 9.171 ( 0.000 2.238 1.085) 2.487 9.309 ( 0.000 1.210 0.755) 1.427 9.378 ( 0.000 2.557 2.817) 3.804 9.595 ( 0.000 0.298 -2.971) 2.986 9.654 ( 0.000 -1.566 0.278) 1.590 9.674 ( 0.000 2.136 -1.287) 2.494 9.692 ( 0.000 3.608 -2.087) 4.169 9.931 ( 0.000 1.547 4.860) 5.100 9.931 ( 0.000 4.462 8.014) 9.172 10.007 ( 0.000 5.139 5.978) 7.884 10.056 ( 0.000 0.969 -0.838) 1.281 10.214 ( 0.000 1.354 0.609) 1.484 10.290 ( 0.000 -0.190 -1.376) 1.389 10.333 ( 0.000 0.947 -0.750) 1.208 10.406 ( 0.000 -1.743 -2.441) 2.999 10.422 ( 0.000 1.015 4.457) 4.571 10.504 ( 0.000 1.549 -0.133) 1.554 10.908 ( 0.000 5.716 -0.078) 5.716 10.933 ( 0.000 2.115 -0.818) 2.268 11.133 ( 0.000 -3.072 1.646) 3.485 11.155 ( 0.000 -4.972 -1.759) 5.274 11.260 ( 0.000 -0.809 -2.020) 2.176 11.271 ( 0.000 -0.125 0.393) 0.413 11.345 ( 0.000 -1.472 4.555) 4.787 11.499 ( 0.000 6.009 -3.661) 7.037 11.638 ( 0.000 -14.813 -4.164) 15.387 11.700 ( 0.000 5.732 8.863) 10.555 11.809 ( 0.000 -9.547 -3.596) 10.201 11.949 ( 0.000 -6.242 -0.480) 6.260 13.262 ( 0.000 7.139 -6.598) 9.721 13.420 ( 0.000 -0.554 -11.877) 11.890 13.679 ( 0.000 5.065 7.527) 9.073 13.845 ( 0.000 -4.100 3.464) 5.367 14.746 ( 0.000 1.580 0.351) 1.619 14.770 ( 0.000 2.274 -0.549) 2.339 14.894 ( 0.000 1.606 -0.474) 1.674 14.943 ( 0.000 0.929 -0.031) 0.929 15.034 ( 0.000 3.605 2.328) 4.291 15.134 ( 0.000 -1.141 -0.723) 1.351 15.255 ( 0.000 -1.043 -0.522) 1.167 15.282 ( 0.000 -2.367 -1.997) 3.097 15.482 ( 0.000 -0.593 3.174) 3.229 15.485 ( 0.000 0.204 3.135) 3.142 15.592 ( 0.000 1.398 -2.049) 2.480 15.620 ( 0.000 -0.032 -2.025) 2.026 16.007 ( 0.000 1.388 1.917) 2.367 16.017 ( 0.000 -0.455 3.330) 3.361 16.088 ( 0.000 -1.196 2.751) 3.000 16.123 ( 0.000 -1.681 -1.940) 2.567 16.297 ( 0.000 0.859 -3.545) 3.648 16.325 ( 0.000 -0.988 -3.003) 3.162 16.542 ( 0.000 2.009 3.088) 3.684 16.561 ( 0.000 0.965 3.610) 3.736 17.048 ( 0.000 -0.267 1.130) 1.161 17.076 ( 0.000 -0.947 1.467) 1.746 17.185 ( 0.000 1.051 -3.359) 3.520 17.235 ( 0.000 -1.340 -2.168) 2.548 17.341 ( 0.000 0.775 2.336) 2.461 17.369 ( 0.000 -0.816 0.166) 0.833 17.523 ( 0.000 3.087 0.160) 3.091 17.606 ( 0.000 -0.464 -1.141) 1.231 18.045 ( 0.000 1.346 -1.751) 2.209 18.055 ( 0.000 0.760 -3.919) 3.992 18.455 ( 0.000 3.414 -1.102) 3.588 18.486 ( 0.000 1.904 -2.667) 3.277 18.721 ( 0.000 2.890 -6.260) 6.895 18.794 ( 0.000 -1.514 -7.525) 7.676 19.055 ( 0.000 4.185 9.107) 10.023 19.198 ( 0.000 -2.661 4.561) 5.281 20.417 ( 0.000 5.950 6.374) 8.720 20.499 ( 0.000 4.611 5.827) 7.431 20.657 ( 0.000 -6.049 6.672) 9.006 20.715 ( 0.000 -5.289 0.575) 5.320 21.878 ( 0.000 6.816 -11.552) 13.413 22.280 ( 0.000 -12.354 -15.508) 19.828 22.375 ( 0.000 6.798 11.229) 13.127 22.693 ( 0.000 -8.837 2.509) 9.186 28.060 ( 0.000 0.229 -0.192) 0.299 28.075 ( 0.000 -0.668 -1.154) 1.333 28.199 ( 0.000 -0.772 -5.984) 6.034 28.205 ( 0.000 -1.168 -6.583) 6.686 28.523 ( 0.000 4.280 5.623) 7.066 28.614 ( 0.000 3.048 6.960) 7.598 28.674 ( 0.000 4.958 1.601) 5.210 28.685 ( 0.000 1.095 -0.685) 1.292 28.802 ( 0.000 0.361 3.993) 4.010 28.831 ( 0.000 -3.459 5.104) 6.166 29.031 ( 0.000 -7.171 -1.534) 7.333 29.049 ( 0.000 -7.374 -1.424) 7.510 29.109 ( 0.000 0.739 -0.203) 0.766 29.237 ( 0.000 -4.723 -5.008) 6.884 29.402 ( 0.000 0.544 7.115) 7.136 29.536 ( 0.000 -7.186 7.189) 10.165 29.746 ( 0.000 2.034 1.083) 2.305 29.949 ( 0.000 -4.465 2.433) 5.085 30.205 ( 0.000 6.228 -7.764) 9.953 30.304 ( 0.000 -0.396 0.245) 0.466 30.352 ( 0.000 2.028 -3.705) 4.224 30.625 ( 0.000 -6.730 -8.494) 10.838 30.694 ( 0.000 6.563 5.411) 8.506 30.856 ( 0.000 -0.553 -2.370) 2.434 31.628 ( 0.000 -2.697 -0.990) 2.873 31.681 ( 0.000 -4.946 -1.724) 5.238 32.170 ( 0.000 -1.981 4.839) 5.229 32.274 ( 0.000 -6.147 -0.101) 6.148 32.705 ( 0.000 9.246 0.307) 9.251 32.872 ( 0.000 2.882 -1.067) 3.073 33.024 ( 0.000 4.713 -2.073) 5.148 33.059 ( 0.000 4.377 -1.640) 4.675 ======================= Grid point 61 (26/45) ======================= q-point: ( 0.25 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.930 ( 2.784 7.389 0.960) 7.954 2.088 ( -0.481 1.733 9.525) 9.693 2.222 ( 3.984 3.645 -0.951) 5.483 2.266 ( 2.534 6.308 2.176) 7.137 2.435 ( 4.083 5.551 5.653) 8.913 2.491 ( 0.451 7.697 1.211) 7.805 2.586 ( 3.471 4.029 0.586) 5.350 2.659 ( 0.969 2.730 4.191) 5.095 2.722 ( -0.559 3.492 2.051) 4.088 2.845 ( -1.499 1.721 4.843) 5.354 2.918 ( -0.024 -2.515 1.688) 3.029 3.017 ( -2.481 -1.715 3.241) 4.427 3.063 ( 1.218 -0.168 0.721) 1.425 3.073 ( 1.580 -2.127 2.944) 3.961 3.144 ( -1.058 -0.947 3.327) 3.617 3.182 ( 3.444 2.272 4.513) 6.115 3.276 ( 3.994 0.339 4.023) 5.679 3.372 ( -0.769 -3.855 2.725) 4.783 3.438 ( 1.638 -1.934 0.510) 2.585 3.448 ( -1.438 -1.580 2.047) 2.959 3.531 ( -2.236 0.879 6.285) 6.728 3.620 ( 3.512 -1.371 -1.365) 4.010 3.647 ( 1.184 -1.070 2.281) 2.784 3.687 ( 2.046 -4.195 4.217) 6.290 3.792 ( 2.804 -3.187 0.139) 4.247 3.848 ( 0.817 -2.801 7.342) 7.900 4.094 ( -4.078 2.031 -2.119) 5.024 4.160 ( -6.126 7.173 -6.469) 11.438 4.207 ( -0.508 -3.946 -5.163) 6.518 4.300 ( -9.623 1.517 1.164) 9.811 4.400 ( -1.138 -4.912 -0.944) 5.130 4.438 ( 0.951 2.956 0.060) 3.106 4.605 ( 5.816 5.716 2.855) 8.640 4.768 ( 1.380 9.177 4.418) 10.278 4.806 ( 4.651 -2.968 -3.638) 6.609 4.898 ( 0.919 3.803 2.978) 4.917 4.965 ( 5.681 -4.269 -1.153) 7.199 5.030 ( 6.704 -4.055 6.481) 10.169 5.077 ( -3.692 5.072 2.530) 6.765 5.156 ( -0.855 0.076 -1.134) 1.422 5.287 ( -2.944 5.083 -6.469) 8.738 5.338 ( -5.742 3.921 -5.994) 9.180 5.449 ( -5.173 -0.372 -3.205) 6.097 5.559 ( -2.740 -7.255 -1.671) 7.933 5.682 ( -1.922 1.096 0.024) 2.213 5.754 ( -7.286 -0.691 -0.575) 7.342 5.830 ( 1.330 3.834 0.362) 4.074 5.904 ( -5.129 2.442 -2.966) 6.408 5.978 ( -7.988 3.100 -3.629) 9.306 6.076 ( -5.318 7.786 7.398) 11.985 6.156 ( 4.180 -2.060 -2.941) 5.511 6.204 ( -1.376 -1.490 -4.923) 5.325 6.296 ( -2.925 -1.878 -4.726) 5.867 6.399 ( -2.249 0.044 -2.874) 3.650 6.494 ( 0.652 2.119 1.916) 2.930 6.593 ( 6.172 4.289 1.654) 7.696 6.689 ( 1.280 0.165 -3.856) 4.066 6.752 ( 1.593 -1.216 -5.963) 6.291 6.808 ( 0.870 -3.978 0.676) 4.128 6.896 ( 4.707 1.152 -2.654) 5.525 6.939 ( 0.462 -2.950 -0.839) 3.102 7.045 ( 3.524 -0.531 -2.876) 4.579 7.222 ( 0.551 -1.129 0.465) 1.339 7.280 ( 1.737 -3.196 6.018) 7.032 7.364 ( 0.303 2.512 -2.765) 3.748 7.446 ( 0.802 1.798 -0.102) 1.972 7.523 ( -2.535 -1.272 -2.854) 4.024 7.536 ( 3.188 -1.288 -3.155) 4.667 7.667 ( 0.530 -2.075 -2.778) 3.508 7.837 ( 0.044 -2.989 0.972) 3.143 7.877 ( 1.026 1.990 4.653) 5.164 7.946 ( 1.471 -0.695 1.642) 2.311 8.048 ( 0.596 -2.538 3.979) 4.757 8.093 ( -1.722 -3.104 2.723) 4.473 8.248 ( -3.170 -2.128 -0.723) 3.886 8.323 ( -4.779 -1.673 1.781) 5.368 8.530 ( 5.769 -8.028 -3.531) 10.498 8.572 ( 6.274 -3.921 -0.830) 7.445 8.727 ( 0.632 0.551 -1.323) 1.566 8.759 ( 2.378 -0.247 3.323) 4.094 8.874 ( -3.130 1.182 -2.240) 4.027 9.083 ( 5.171 1.354 -3.051) 6.155 9.119 ( 0.127 5.392 0.396) 5.408 9.248 ( 6.054 -0.402 2.870) 6.712 9.328 ( 1.811 1.564 -2.496) 3.458 9.408 ( 2.717 3.125 0.107) 4.143 9.553 ( -3.941 0.966 -4.495) 6.055 9.654 ( 1.289 -0.543 0.594) 1.520 9.692 ( 0.910 2.118 -0.543) 2.368 9.735 ( 3.196 2.545 -1.407) 4.321 9.879 ( -3.291 3.212 3.009) 5.496 9.915 ( -3.159 3.075 6.472) 7.831 9.968 ( -0.414 3.922 8.376) 9.258 10.098 ( -0.815 1.249 -0.241) 1.511 10.156 ( -4.237 -0.110 2.618) 4.981 10.213 ( -2.980 0.543 2.184) 3.734 10.319 ( -3.039 3.290 -1.664) 4.778 10.412 ( -0.921 0.172 -1.059) 1.414 10.426 ( 1.190 1.465 -0.360) 1.922 10.512 ( 0.939 -1.879 -0.420) 2.143 10.899 ( 0.185 2.246 -0.438) 2.296 10.968 ( 0.590 0.903 -0.094) 1.083 11.073 ( -0.965 -0.703 0.593) 1.333 11.178 ( 0.331 -1.764 -0.192) 1.805 11.248 ( -1.453 -0.819 -1.462) 2.218 11.303 ( 1.445 0.003 0.253) 1.467 11.366 ( 1.899 -0.058 2.570) 3.196 11.508 ( 1.871 0.069 -2.077) 2.797 11.613 ( -2.156 -2.603 4.269) 5.445 11.682 ( -1.936 -2.387 0.569) 3.126 11.809 ( 0.054 -11.778 -4.020) 12.445 11.944 ( -0.417 -5.085 0.396) 5.118 13.237 ( -1.319 4.668 -5.684) 7.472 13.487 ( 4.733 1.884 -12.929) 13.896 13.621 ( -3.561 3.462 9.160) 10.419 13.917 ( 4.658 -0.950 2.167) 5.225 14.736 ( 0.055 1.788 0.616) 1.892 14.798 ( 1.340 0.511 -0.940) 1.714 14.865 ( -3.010 1.584 0.604) 3.454 14.905 ( -2.243 0.896 -0.844) 2.559 15.018 ( -1.256 3.441 2.555) 4.466 15.138 ( 0.311 -1.542 1.101) 1.920 15.215 ( -2.628 -0.687 -1.525) 3.116 15.295 ( 0.315 -1.299 -1.983) 2.392 15.478 ( 0.300 -0.116 2.614) 2.634 15.498 ( 0.619 0.591 2.543) 2.683 15.565 ( -1.724 -0.055 -2.790) 3.280 15.642 ( 1.220 1.300 -0.891) 1.993 15.978 ( -1.215 -0.578 1.866) 2.300 16.033 ( 0.233 1.374 -0.196) 1.407 16.105 ( 0.813 -1.742 2.542) 3.187 16.137 ( 1.604 -0.983 0.915) 2.092 16.207 ( -4.124 -0.462 -4.033) 5.787 16.423 ( 4.923 0.304 -1.735) 5.229 16.539 ( -0.488 1.368 4.086) 4.337 16.573 ( 0.967 0.920 2.822) 3.122 17.045 ( -0.116 -0.030 0.574) 0.586 17.078 ( -0.012 -0.639 1.562) 1.687 17.163 ( -1.617 0.175 -3.462) 3.826 17.225 ( -0.839 -0.651 -1.348) 1.716 17.315 ( -1.495 -0.258 0.563) 1.618 17.399 ( 1.778 0.513 3.151) 3.654 17.503 ( -1.053 0.955 -2.928) 3.255 17.636 ( 1.831 0.295 0.403) 1.898 18.073 ( 2.396 1.205 -3.817) 4.665 18.109 ( 4.845 1.154 -4.506) 6.717 18.399 ( -5.199 2.957 -0.507) 6.003 18.454 ( -2.300 2.696 -0.658) 3.605 18.715 ( -0.094 2.949 -5.941) 6.633 18.837 ( 2.824 -2.198 -8.658) 9.369 19.056 ( 0.049 4.167 9.185) 10.086 19.198 ( -0.000 -2.773 4.947) 5.672 20.427 ( 0.969 5.677 6.156) 8.430 20.485 ( -1.339 4.719 5.754) 7.561 20.659 ( 0.196 -5.683 5.584) 7.969 20.699 ( -1.374 -4.580 1.869) 5.133 21.877 ( -0.106 6.770 -11.577) 13.412 22.288 ( 0.581 -12.742 -15.865) 20.356 22.374 ( -0.102 6.877 11.157) 13.106 22.694 ( 0.079 -8.951 2.708) 9.352 28.043 ( -0.870 -0.339 -1.433) 1.711 28.093 ( 0.926 -0.073 0.203) 0.950 28.165 ( -1.442 -1.016 -6.377) 6.616 28.239 ( 1.532 -1.024 -6.107) 6.379 28.512 ( -0.770 3.839 6.195) 7.329 28.617 ( 0.066 3.777 6.500) 7.518 28.686 ( 1.060 4.670 0.396) 4.805 28.693 ( 0.717 1.049 -0.224) 1.290 28.791 ( -1.038 -0.022 4.310) 4.433 28.828 ( -0.133 -3.099 5.197) 6.052 29.037 ( 0.479 -7.400 -1.741) 7.617 29.048 ( -0.099 -7.344 -1.515) 7.500 29.125 ( 1.248 -0.084 -0.813) 1.491 29.245 ( 0.749 -4.487 -5.077) 6.817 29.376 ( -1.848 -0.495 7.313) 7.559 29.580 ( 3.410 -4.897 8.877) 10.696 29.786 ( 4.251 1.450 0.082) 4.492 29.953 ( 0.548 -2.987 1.384) 3.337 30.116 ( -8.821 4.248 -4.073) 10.604 30.187 ( -8.907 0.264 0.365) 8.918 30.323 ( -1.595 3.353 -7.384) 8.265 30.628 ( 0.264 -7.126 -9.286) 11.708 30.684 ( -0.900 5.591 5.320) 7.770 30.868 ( 0.823 0.291 -0.991) 1.321 31.744 ( 9.703 -2.484 -0.030) 10.016 31.814 ( 11.196 -5.750 -1.173) 12.641 32.132 ( -3.911 -2.333 4.497) 6.400 32.241 ( -3.486 -5.787 0.825) 6.806 32.732 ( 2.917 8.155 -0.098) 8.661 32.863 ( -0.909 2.720 -0.934) 3.016 32.983 ( -3.273 6.158 -2.677) 7.470 33.023 ( -3.283 4.442 -2.217) 5.952 ======================= Grid point 62 (27/45) ======================= q-point: (-0.50 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.996 ( 0.000 2.149 -1.956) 2.905 2.036 ( -0.000 -2.577 9.123) 9.480 2.274 ( 0.000 3.996 3.528) 5.330 2.294 ( 0.000 2.698 -2.165) 3.460 2.469 ( 0.000 2.094 4.526) 4.987 2.477 ( 0.000 11.428 -2.411) 11.679 2.632 ( 0.000 11.527 5.263) 12.672 2.686 ( 0.000 7.246 -0.389) 7.256 2.766 ( 0.000 8.653 2.136) 8.913 2.850 ( -0.000 1.085 6.244) 6.338 2.926 ( -0.000 0.814 3.319) 3.417 2.935 ( 0.000 -7.179 0.808) 7.225 3.063 ( 0.000 -3.845 5.945) 7.080 3.103 ( 0.000 -2.440 -0.119) 2.443 3.147 ( 0.000 -3.904 7.495) 8.451 3.228 ( -0.000 0.799 11.177) 11.205 3.313 ( 0.000 3.053 3.731) 4.821 3.376 ( 0.000 1.745 7.117) 7.328 3.410 ( 0.000 0.328 -3.189) 3.205 3.492 ( 0.000 -2.697 5.241) 5.894 3.503 ( 0.000 -2.575 4.018) 4.772 3.654 ( 0.000 0.331 5.972) 5.981 3.690 ( 0.000 -4.730 0.127) 4.732 3.753 ( -0.000 0.341 0.766) 0.838 3.839 ( -0.000 -4.670 1.734) 4.982 3.899 ( -0.000 -5.200 -4.498) 6.875 3.908 ( 0.000 -4.868 5.188) 7.114 4.065 ( 0.000 4.503 -2.354) 5.082 4.100 ( 0.000 -2.751 -4.435) 5.219 4.294 ( 0.000 -3.400 -1.830) 3.861 4.379 ( 0.000 -7.632 -11.540) 13.835 4.499 ( 0.000 10.995 -8.057) 13.631 4.715 ( 0.000 11.256 4.732) 12.211 4.727 ( 0.000 14.950 4.966) 15.754 4.850 ( 0.000 8.605 -0.264) 8.609 4.946 ( -0.000 5.329 3.215) 6.224 4.994 ( 0.000 -7.162 -0.976) 7.228 5.046 ( -0.000 0.842 -5.061) 5.131 5.098 ( -0.000 -1.177 1.230) 1.702 5.140 ( 0.000 0.784 1.017) 1.284 5.242 ( 0.000 -2.645 -6.317) 6.848 5.334 ( 0.000 1.750 1.322) 2.193 5.410 ( 0.000 -3.948 -1.331) 4.167 5.453 ( 0.000 -4.256 2.565) 4.969 5.625 ( 0.000 -0.683 3.591) 3.655 5.705 ( 0.000 -2.306 -1.818) 2.936 5.769 ( -0.000 0.311 5.685) 5.693 5.840 ( 0.000 2.664 3.786) 4.629 5.982 ( -0.000 1.924 -3.076) 3.628 6.003 ( 0.000 10.267 -4.937) 11.393 6.134 ( 0.000 7.545 -4.352) 8.710 6.207 ( 0.000 -2.654 -3.160) 4.126 6.294 ( 0.000 -8.623 -6.901) 11.044 6.383 ( 0.000 -2.900 -1.310) 3.182 6.499 ( 0.000 5.520 4.254) 6.969 6.670 ( 0.000 0.341 3.460) 3.476 6.721 ( 0.000 2.585 -1.717) 3.103 6.748 ( 0.000 -1.503 -6.987) 7.147 6.794 ( 0.000 -6.287 1.353) 6.431 6.894 ( 0.000 -2.979 2.026) 3.603 7.003 ( 0.000 1.271 -4.220) 4.408 7.110 ( 0.000 1.734 -6.618) 6.841 7.250 ( 0.000 -3.794 -7.511) 8.415 7.331 ( 0.000 7.686 3.521) 8.454 7.370 ( 0.000 -5.408 5.071) 7.414 7.378 ( -0.000 3.763 -7.295) 8.208 7.493 ( 0.000 1.498 -4.996) 5.216 7.617 ( -0.000 -0.253 -4.937) 4.943 7.627 ( 0.000 -4.283 1.794) 4.643 7.854 ( 0.000 -5.306 0.676) 5.349 7.896 ( 0.000 3.058 7.383) 7.991 7.958 ( 0.000 -1.304 3.177) 3.434 8.020 ( 0.000 -3.919 -1.835) 4.328 8.144 ( 0.000 -2.914 5.214) 5.973 8.218 ( 0.000 -1.010 2.965) 3.132 8.218 ( -0.000 -1.449 4.366) 4.600 8.601 ( 0.000 -8.149 -6.162) 10.216 8.694 ( -0.000 0.145 1.165) 1.174 8.733 ( 0.000 -0.672 -9.751) 9.774 8.748 ( -0.000 -2.443 0.767) 2.560 8.843 ( 0.000 0.278 4.870) 4.878 9.105 ( 0.000 5.416 6.096) 8.154 9.159 ( 0.000 2.268 -4.284) 4.847 9.333 ( 0.000 -2.638 7.461) 7.914 9.355 ( 0.000 0.125 -6.914) 6.915 9.466 ( 0.000 2.661 -0.020) 2.661 9.477 ( 0.000 2.497 -12.821) 13.062 9.680 ( 0.000 2.419 1.311) 2.752 9.697 ( 0.000 4.837 2.924) 5.652 9.776 ( 0.000 0.173 1.308) 1.319 9.827 ( 0.000 -0.314 0.642) 0.714 9.900 ( 0.000 4.465 6.247) 7.678 9.952 ( 0.000 4.800 7.197) 8.651 10.042 ( 0.000 -0.892 -1.191) 1.488 10.105 ( 0.000 -1.264 5.957) 6.090 10.212 ( 0.000 3.524 5.690) 6.693 10.275 ( 0.000 2.088 -4.565) 5.020 10.391 ( 0.000 0.586 -1.645) 1.746 10.438 ( 0.000 5.504 -1.852) 5.807 10.529 ( 0.000 -5.706 0.123) 5.707 10.917 ( -0.000 -1.477 -1.119) 1.853 10.938 ( 0.000 0.269 1.355) 1.381 11.095 ( 0.000 2.832 -0.855) 2.959 11.191 ( -0.000 -0.952 -2.128) 2.331 11.215 ( 0.000 -1.866 0.730) 2.004 11.306 ( 0.000 2.548 1.354) 2.885 11.393 ( 0.000 0.190 1.005) 1.023 11.550 ( 0.000 0.315 7.550) 7.556 11.593 ( 0.000 -4.980 -3.816) 6.274 11.637 ( 0.000 -0.012 1.995) 1.995 11.811 ( 0.000 -15.540 -6.097) 16.694 11.939 ( 0.000 -3.616 1.475) 3.905 13.225 ( 0.000 3.466 -5.004) 6.087 13.545 ( 0.000 2.769 -14.561) 14.822 13.580 ( -0.000 3.602 10.816) 11.400 13.969 ( 0.000 0.959 1.697) 1.949 14.762 ( 0.000 1.786 -0.683) 1.912 14.769 ( -0.000 -0.670 2.173) 2.274 14.842 ( 0.000 1.400 -0.599) 1.523 14.884 ( 0.000 0.268 -1.688) 1.709 15.001 ( 0.000 3.262 2.684) 4.225 15.144 ( 0.000 -1.800 7.811) 8.016 15.182 ( 0.000 0.158 -7.464) 7.465 15.295 ( 0.000 -1.013 -1.479) 1.792 15.488 ( 0.000 1.662 1.988) 2.591 15.504 ( 0.000 0.784 1.847) 2.007 15.542 ( 0.000 -1.579 -2.843) 3.252 15.655 ( 0.000 1.826 -0.294) 1.850 15.966 ( 0.000 -0.728 1.268) 1.462 16.033 ( 0.000 0.990 -1.616) 1.896 16.115 ( 0.000 -1.750 -0.787) 1.919 16.152 ( -0.000 -0.688 2.591) 2.681 16.168 ( 0.000 -0.490 -1.213) 1.308 16.487 ( 0.000 1.104 -3.428) 3.601 16.522 ( 0.000 0.373 7.146) 7.156 16.585 ( 0.000 0.775 2.379) 2.502 17.045 ( 0.000 0.221 -0.131) 0.257 17.076 ( 0.000 -0.243 1.886) 1.902 17.144 ( 0.000 -0.297 -3.532) 3.544 17.214 ( 0.000 -0.684 -0.939) 1.161 17.298 ( 0.000 -0.442 0.032) 0.443 17.419 ( 0.000 1.487 6.023) 6.203 17.494 ( 0.000 -0.668 -5.984) 6.021 17.655 ( 0.000 0.322 1.016) 1.066 18.105 ( 0.000 1.077 -5.752) 5.852 18.191 ( 0.000 1.223 -8.943) 9.026 18.313 ( 0.000 3.476 4.064) 5.347 18.425 ( 0.000 2.654 1.033) 2.848 18.716 ( 0.000 3.115 -5.792) 6.577 18.868 ( 0.000 -2.826 -9.542) 9.952 19.056 ( 0.000 4.149 9.284) 10.169 19.198 ( 0.000 -2.903 5.367) 6.101 20.453 ( -0.000 5.436 6.198) 8.244 20.454 ( 0.000 4.801 5.422) 7.242 20.663 ( 0.000 -5.215 2.168) 5.648 20.680 ( 0.000 -4.006 5.475) 6.785 21.875 ( 0.000 6.726 -11.600) 13.409 22.295 ( 0.000 -13.177 -16.295) 20.956 22.373 ( 0.000 7.026 11.174) 13.200 22.695 ( 0.000 -9.062 2.902) 9.515 28.034 ( 0.000 -0.474 -1.844) 1.904 28.102 ( 0.000 0.083 0.744) 0.749 28.150 ( 0.000 -1.061 -6.436) 6.523 28.256 ( 0.000 -1.078 -5.974) 6.070 28.503 ( 0.000 3.533 6.583) 7.471 28.616 ( 0.000 4.275 6.291) 7.606 28.697 ( 0.000 2.671 -2.263) 3.501 28.708 ( 0.000 3.087 0.951) 3.230 28.775 ( 0.000 -0.610 5.371) 5.405 28.827 ( 0.000 -2.784 5.258) 5.950 29.044 ( 0.000 -8.540 -1.460) 8.664 29.045 ( -0.000 -6.418 -2.083) 6.748 29.141 ( 0.000 -1.156 -1.671) 2.031 29.256 ( 0.000 -4.213 -5.410) 6.857 29.353 ( 0.000 -0.578 8.062) 8.083 29.624 ( 0.000 -3.556 11.013) 11.573 29.918 ( 0.000 -0.672 -1.134) 1.318 29.919 ( -0.000 3.672 -2.626) 4.514 29.974 ( 0.000 0.574 -1.443) 1.553 30.068 ( 0.000 -0.967 2.551) 2.728 30.308 ( 0.000 4.458 -9.307) 10.320 30.632 ( 0.000 -7.847 -10.741) 13.302 30.671 ( 0.000 5.497 6.267) 8.336 30.877 ( 0.000 0.808 -0.005) 0.808 31.886 ( 0.000 -2.428 0.414) 2.463 32.016 ( -0.000 -5.632 -3.632) 6.701 32.021 ( 0.000 -4.641 6.571) 8.045 32.171 ( 0.000 -4.025 2.699) 4.846 32.805 ( 0.000 3.657 -0.538) 3.697 32.821 ( -0.000 6.708 -0.071) 6.708 32.954 ( 0.000 4.178 -3.557) 5.487 32.966 ( -0.000 7.071 -3.179) 7.752 ======================= Grid point 65 (28/45) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.050 ( 0.000 -5.597 3.161) 6.428 2.050 ( 0.000 5.597 3.161) 6.428 2.255 ( 0.000 -1.686 1.471) 2.237 2.255 ( 0.000 1.686 1.471) 2.237 2.528 ( 0.000 -4.878 6.914) 8.462 2.528 ( 0.000 4.878 6.914) 8.462 2.580 ( 0.000 -2.462 -2.627) 3.601 2.580 ( 0.000 2.462 -2.627) 3.601 2.829 ( 0.000 -1.472 5.242) 5.445 2.829 ( 0.000 1.472 5.242) 5.445 2.944 ( 0.000 -1.872 7.423) 7.655 2.944 ( 0.000 1.872 7.423) 7.655 3.084 ( 0.000 -0.815 -2.141) 2.291 3.084 ( 0.000 0.815 -2.141) 2.291 3.170 ( 0.000 -1.408 1.111) 1.794 3.170 ( 0.000 1.408 1.111) 1.794 3.297 ( 0.000 -0.671 0.974) 1.183 3.297 ( 0.000 0.671 0.974) 1.183 3.399 ( 0.000 -4.358 -2.664) 5.108 3.399 ( 0.000 4.358 -2.664) 5.108 3.547 ( 0.000 -0.574 1.962) 2.044 3.547 ( 0.000 0.574 1.962) 2.044 3.620 ( 0.000 -0.740 2.585) 2.689 3.620 ( 0.000 0.740 2.585) 2.689 3.734 ( 0.000 -0.433 4.022) 4.046 3.734 ( 0.000 0.433 4.022) 4.046 4.193 ( 0.000 -2.256 -0.734) 2.372 4.193 ( 0.000 2.256 -0.734) 2.372 4.351 ( 0.000 -4.789 5.736) 7.472 4.351 ( 0.000 4.789 5.736) 7.472 4.520 ( 0.000 -5.319 -4.348) 6.870 4.520 ( 0.000 5.319 -4.348) 6.870 4.611 ( 0.000 -11.864 0.497) 11.875 4.611 ( 0.000 11.864 0.497) 11.875 4.739 ( 0.000 -0.208 8.552) 8.555 4.739 ( 0.000 0.208 8.552) 8.555 4.994 ( 0.000 -11.645 -2.587) 11.929 4.994 ( 0.000 11.645 -2.587) 11.929 5.126 ( 0.000 -5.408 2.272) 5.866 5.126 ( 0.000 5.408 2.272) 5.866 5.456 ( 0.000 -0.849 -4.577) 4.656 5.456 ( 0.000 0.849 -4.577) 4.656 5.568 ( 0.000 -2.345 -6.043) 6.482 5.568 ( 0.000 2.345 -6.043) 6.482 5.709 ( 0.000 -0.113 -5.519) 5.521 5.709 ( 0.000 0.113 -5.519) 5.521 5.925 ( 0.000 -3.756 -3.504) 5.137 5.925 ( 0.000 3.756 -3.504) 5.137 6.066 ( 0.000 -0.002 -1.391) 1.391 6.066 ( 0.000 0.002 -1.391) 1.391 6.258 ( 0.000 -2.658 -0.471) 2.699 6.258 ( 0.000 2.658 -0.471) 2.699 6.381 ( 0.000 -5.296 2.890) 6.033 6.381 ( 0.000 5.296 2.890) 6.033 6.572 ( 0.000 -4.272 -2.087) 4.754 6.572 ( 0.000 4.272 -2.087) 4.754 6.687 ( 0.000 -0.752 -4.399) 4.463 6.687 ( 0.000 0.752 -4.399) 4.463 6.793 ( 0.000 -2.558 6.144) 6.656 6.793 ( 0.000 2.558 6.144) 6.656 6.916 ( 0.000 -1.648 1.063) 1.961 6.916 ( 0.000 1.648 1.063) 1.961 7.246 ( 0.000 -0.029 5.715) 5.716 7.246 ( 0.000 0.029 5.715) 5.716 7.373 ( 0.000 -2.288 -0.921) 2.466 7.373 ( 0.000 2.288 -0.921) 2.466 7.519 ( 0.000 -0.012 -7.237) 7.237 7.519 ( 0.000 0.012 -7.237) 7.237 7.710 ( 0.000 -5.016 -2.331) 5.531 7.710 ( 0.000 5.016 -2.331) 5.531 7.927 ( 0.000 -0.826 5.060) 5.127 7.927 ( 0.000 0.826 5.060) 5.127 8.063 ( 0.000 -3.233 2.051) 3.829 8.063 ( 0.000 3.233 2.051) 3.829 8.292 ( 0.000 -2.849 -5.085) 5.828 8.292 ( 0.000 2.849 -5.085) 5.828 8.412 ( 0.000 -0.026 2.261) 2.262 8.412 ( 0.000 0.026 2.261) 2.262 8.730 ( 0.000 -1.029 0.731) 1.262 8.730 ( 0.000 1.029 0.731) 1.262 8.979 ( 0.000 -1.494 -5.991) 6.175 8.979 ( 0.000 1.494 -5.991) 6.175 9.183 ( 0.000 -1.161 -0.559) 1.289 9.183 ( 0.000 1.161 -0.559) 1.289 9.359 ( 0.000 -3.269 -0.224) 3.277 9.359 ( 0.000 3.269 -0.224) 3.277 9.608 ( 0.000 -1.842 1.026) 2.109 9.608 ( 0.000 1.842 1.026) 2.109 9.728 ( 0.000 -1.106 -4.132) 4.277 9.728 ( 0.000 1.106 -4.132) 4.277 9.960 ( 0.000 -0.774 6.530) 6.575 9.960 ( 0.000 0.774 6.530) 6.575 10.060 ( 0.000 -0.077 4.395) 4.395 10.060 ( 0.000 0.077 4.395) 4.395 10.265 ( 0.000 -1.966 1.313) 2.365 10.265 ( 0.000 1.966 1.313) 2.365 10.345 ( 0.000 -2.486 -0.839) 2.624 10.345 ( 0.000 2.486 -0.839) 2.624 10.499 ( 0.000 -3.483 6.248) 7.153 10.499 ( 0.000 3.483 6.248) 7.153 11.000 ( 0.000 -0.311 -3.422) 3.436 11.000 ( 0.000 0.311 -3.422) 3.436 11.063 ( 0.000 -0.037 -0.172) 0.175 11.063 ( 0.000 0.037 -0.172) 0.175 11.290 ( 0.000 -0.670 2.804) 2.883 11.290 ( 0.000 0.670 2.804) 2.883 11.358 ( 0.000 -9.166 -5.017) 10.449 11.358 ( 0.000 9.166 -5.017) 10.449 11.647 ( 0.000 -8.003 -4.582) 9.222 11.647 ( 0.000 8.003 -4.582) 9.222 11.820 ( 0.000 -6.252 5.125) 8.084 11.820 ( 0.000 6.252 5.125) 8.084 13.381 ( 0.000 -3.291 -10.242) 10.758 13.381 ( 0.000 3.291 -10.242) 10.758 13.765 ( 0.000 -2.995 5.762) 6.494 13.765 ( 0.000 2.995 5.762) 6.494 14.780 ( 0.000 -1.092 0.316) 1.137 14.780 ( 0.000 1.092 0.316) 1.137 14.931 ( 0.000 -1.721 -0.319) 1.750 14.931 ( 0.000 1.721 -0.319) 1.750 15.098 ( 0.000 -2.574 1.831) 3.159 15.098 ( 0.000 2.574 1.831) 3.159 15.246 ( 0.000 -0.352 -1.671) 1.708 15.246 ( 0.000 0.352 -1.671) 1.708 15.480 ( 0.000 -0.193 3.479) 3.484 15.480 ( 0.000 0.193 3.479) 3.484 15.617 ( 0.000 -0.351 -3.124) 3.144 15.617 ( 0.000 0.351 -3.124) 3.144 16.018 ( 0.000 -0.038 4.756) 4.756 16.018 ( 0.000 0.038 4.756) 4.756 16.091 ( 0.000 -1.165 -1.238) 1.700 16.091 ( 0.000 1.165 -1.238) 1.700 16.310 ( 0.000 -0.116 -2.739) 2.741 16.310 ( 0.000 0.116 -2.739) 2.741 16.566 ( 0.000 -0.403 3.388) 3.412 16.566 ( 0.000 0.403 3.388) 3.412 17.055 ( 0.000 -0.868 1.447) 1.688 17.055 ( 0.000 0.868 1.447) 1.688 17.209 ( 0.000 -1.080 -2.699) 2.908 17.209 ( 0.000 1.080 -2.699) 2.908 17.354 ( 0.000 -0.321 1.077) 1.124 17.354 ( 0.000 0.321 1.077) 1.124 17.578 ( 0.000 -1.765 -0.166) 1.773 17.578 ( 0.000 1.765 -0.166) 1.773 18.061 ( 0.000 -0.109 -3.415) 3.417 18.061 ( 0.000 0.109 -3.415) 3.417 18.497 ( 0.000 -0.608 -1.282) 1.418 18.497 ( 0.000 0.608 -1.282) 1.418 18.765 ( 0.000 -1.475 -7.045) 7.198 18.765 ( 0.000 1.475 -7.045) 7.198 19.134 ( 0.000 -3.726 7.155) 8.068 19.134 ( 0.000 3.726 7.155) 8.068 20.536 ( 0.000 -6.069 6.002) 8.535 20.536 ( 0.000 6.069 6.002) 8.535 20.605 ( 0.000 -5.809 4.483) 7.337 20.605 ( 0.000 5.809 4.483) 7.337 22.052 ( 0.000 -10.481 -14.975) 18.278 22.052 ( 0.000 10.481 -14.975) 18.278 22.524 ( 0.000 -8.177 6.861) 10.674 22.524 ( 0.000 8.177 6.861) 10.674 28.065 ( 0.000 -0.123 -0.768) 0.778 28.065 ( 0.000 0.123 -0.768) 0.778 28.191 ( 0.000 -0.016 -6.994) 6.994 28.191 ( 0.000 0.016 -6.994) 6.994 28.605 ( 0.000 -3.151 7.374) 8.019 28.605 ( 0.000 3.151 7.374) 8.019 28.738 ( 0.000 -2.490 1.137) 2.737 28.738 ( 0.000 2.490 1.137) 2.737 28.788 ( 0.000 -2.272 1.364) 2.650 28.788 ( 0.000 2.272 1.364) 2.650 28.946 ( 0.000 -1.587 -0.366) 1.629 28.946 ( 0.000 1.587 -0.366) 1.629 29.163 ( 0.000 -3.068 -3.003) 4.293 29.163 ( 0.000 3.068 -3.003) 4.293 29.427 ( 0.000 -2.711 8.603) 9.020 29.427 ( 0.000 2.711 8.603) 9.020 29.839 ( 0.000 -5.940 2.407) 6.410 29.839 ( 0.000 5.940 2.407) 6.410 30.289 ( 0.000 -1.639 -0.664) 1.769 30.289 ( 0.000 1.639 -0.664) 1.769 30.462 ( 0.000 -8.620 -11.502) 14.373 30.462 ( 0.000 8.620 -11.502) 14.373 30.806 ( 0.000 -4.173 1.909) 4.589 30.806 ( 0.000 4.173 1.909) 4.589 31.616 ( 0.000 -1.457 -1.166) 1.866 31.616 ( 0.000 1.457 -1.166) 1.866 32.178 ( 0.000 -2.855 2.823) 4.015 32.178 ( 0.000 2.855 2.823) 4.015 32.847 ( 0.000 -4.701 0.407) 4.719 32.847 ( 0.000 4.701 0.407) 4.719 33.091 ( 0.000 -1.146 -2.259) 2.533 33.091 ( 0.000 1.146 -2.259) 2.533 ======================= Grid point 67 (29/45) ======================= q-point: ( 0.25 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.025 ( -1.285 0.000 -2.331) 2.661 2.031 ( -2.123 -0.000 6.848) 7.169 2.276 ( 1.849 0.000 -2.367) 3.003 2.298 ( 1.299 0.000 0.246) 1.322 2.506 ( -1.414 0.000 4.411) 4.632 2.603 ( 6.427 0.000 -2.400) 6.860 2.620 ( 5.976 -0.000 3.972) 7.176 2.699 ( 6.447 0.000 -1.348) 6.587 2.809 ( 0.864 0.000 6.753) 6.808 2.845 ( 0.453 0.000 3.840) 3.866 2.955 ( 0.722 0.000 1.323) 1.507 2.957 ( 1.449 -0.000 12.620) 12.703 3.038 ( -4.053 0.000 0.165) 4.056 3.077 ( -2.627 0.000 2.444) 3.588 3.122 ( -1.996 0.000 2.262) 3.017 3.194 ( 0.673 -0.000 2.928) 3.005 3.247 ( 2.174 0.000 5.548) 5.958 3.335 ( 5.597 0.000 4.252) 7.029 3.436 ( 1.504 -0.000 -3.008) 3.363 3.476 ( 1.417 0.000 4.806) 5.011 3.551 ( 0.800 -0.000 5.631) 5.687 3.582 ( -1.622 0.000 3.141) 3.535 3.622 ( 0.705 -0.000 3.415) 3.487 3.644 ( 3.706 0.000 -0.621) 3.758 3.694 ( 2.839 -0.000 1.772) 3.347 3.816 ( 1.498 0.000 9.322) 9.442 4.047 ( -10.235 0.000 0.894) 10.274 4.159 ( -9.751 -0.000 -1.676) 9.894 4.165 ( -3.090 0.000 -6.572) 7.262 4.286 ( -7.190 0.000 -3.909) 8.184 4.479 ( -2.783 0.000 -10.045) 10.423 4.595 ( 6.459 -0.000 4.404) 7.817 4.677 ( 0.065 0.000 -6.233) 6.234 4.744 ( 12.255 -0.000 -2.467) 12.501 4.822 ( 4.471 0.000 -7.651) 8.862 4.833 ( 8.877 -0.000 4.299) 9.863 4.999 ( -0.214 -0.000 2.068) 2.079 5.070 ( 7.199 0.000 6.569) 9.746 5.114 ( 3.092 0.000 9.353) 9.851 5.127 ( -3.074 -0.000 -0.286) 3.087 5.346 ( -8.247 0.000 -4.402) 9.349 5.399 ( -9.026 0.000 -1.307) 9.120 5.477 ( -2.980 -0.000 -4.071) 5.045 5.479 ( -7.445 0.000 -3.164) 8.089 5.646 ( -3.788 0.000 1.120) 3.950 5.741 ( -2.293 0.000 -1.378) 2.675 5.897 ( -0.594 0.000 -4.344) 4.385 5.909 ( -4.085 0.000 0.884) 4.180 5.986 ( -7.547 0.000 -2.201) 7.861 6.068 ( 1.016 0.000 -9.369) 9.424 6.209 ( 2.246 0.000 -0.658) 2.340 6.245 ( -3.972 0.000 3.302) 5.165 6.349 ( -3.730 0.000 -3.047) 4.816 6.364 ( -1.746 0.000 -4.490) 4.817 6.497 ( -0.002 0.000 7.475) 7.475 6.624 ( 3.462 0.000 3.909) 5.221 6.691 ( -2.949 0.000 6.328) 6.982 6.738 ( -0.375 0.000 3.362) 3.383 6.756 ( 0.553 0.000 -3.779) 3.819 6.864 ( 4.387 0.000 1.907) 4.784 6.931 ( 3.581 0.000 -3.235) 4.825 7.007 ( 5.241 0.000 -4.379) 6.830 7.200 ( -0.578 0.000 -2.795) 2.855 7.259 ( 4.019 0.000 1.796) 4.402 7.449 ( -1.553 -0.000 -5.136) 5.366 7.449 ( 4.861 0.000 1.010) 4.965 7.493 ( 2.888 0.000 -0.640) 2.958 7.529 ( -0.901 0.000 -5.038) 5.118 7.711 ( 0.258 0.000 -3.363) 3.373 7.749 ( 1.834 0.000 -0.437) 1.885 7.915 ( -0.393 0.000 0.053) 0.396 7.950 ( 0.536 0.000 6.116) 6.139 8.019 ( -1.048 0.000 3.819) 3.960 8.042 ( -1.833 -0.000 3.349) 3.818 8.236 ( -2.438 0.000 -1.944) 3.118 8.291 ( -4.130 0.000 0.854) 4.217 8.425 ( 4.944 0.000 -3.637) 6.138 8.534 ( 8.270 0.000 0.544) 8.288 8.729 ( 0.234 0.000 -2.380) 2.391 8.762 ( 1.593 0.000 0.085) 1.595 8.889 ( -4.202 0.000 -2.903) 5.107 9.095 ( 6.243 0.000 -3.721) 7.268 9.204 ( 2.390 0.000 4.184) 4.819 9.214 ( 1.821 0.000 -1.552) 2.393 9.351 ( 0.085 0.000 -1.310) 1.313 9.424 ( 4.366 0.000 -5.390) 6.936 9.561 ( -3.567 0.000 -2.685) 4.465 9.638 ( 3.199 0.000 0.555) 3.247 9.730 ( 1.464 0.000 -2.304) 2.730 9.761 ( 1.338 0.000 -1.943) 2.359 9.900 ( -4.037 0.000 4.213) 5.835 9.967 ( -2.917 0.000 6.722) 7.328 10.006 ( 1.347 0.000 6.767) 6.900 10.109 ( -0.994 0.000 3.713) 3.844 10.155 ( -8.788 0.000 2.825) 9.230 10.217 ( -0.499 0.000 3.747) 3.780 10.341 ( -2.822 0.000 -2.787) 3.966 10.402 ( 4.574 0.000 -0.170) 4.578 10.471 ( -1.469 0.000 6.458) 6.623 10.506 ( -0.565 0.000 4.738) 4.772 10.931 ( -3.475 0.000 -1.849) 3.936 10.973 ( -1.786 0.000 -0.912) 2.006 11.080 ( 2.705 0.000 -1.830) 3.266 11.144 ( 2.341 0.000 -0.677) 2.437 11.248 ( -3.580 0.000 -3.420) 4.951 11.307 ( 2.104 0.000 -0.995) 2.327 11.358 ( 3.819 0.000 1.609) 4.144 11.452 ( 4.628 0.000 -3.004) 5.518 11.614 ( -2.721 -0.000 -3.799) 4.673 11.623 ( -2.323 0.000 -4.953) 5.471 11.736 ( -4.805 0.000 5.326) 7.173 11.874 ( 1.812 0.000 4.966) 5.286 13.291 ( -2.822 0.000 -6.980) 7.529 13.510 ( 5.985 0.000 -13.454) 14.725 13.658 ( -3.786 0.000 8.621) 9.415 13.905 ( 6.431 0.000 2.025) 6.742 14.777 ( -0.687 -0.000 1.046) 1.252 14.780 ( 0.006 0.000 0.596) 0.596 14.883 ( -2.910 0.000 -0.199) 2.917 14.916 ( -1.811 0.000 -0.116) 1.815 15.063 ( -1.885 0.000 1.785) 2.596 15.112 ( 0.380 0.000 4.428) 4.444 15.207 ( -1.710 0.000 -3.523) 3.916 15.277 ( 0.657 0.000 -0.416) 0.777 15.473 ( 1.025 0.000 1.878) 2.139 15.504 ( 0.899 0.000 2.093) 2.278 15.570 ( -2.492 0.000 -3.832) 4.571 15.659 ( 1.695 0.000 -1.923) 2.563 15.971 ( -1.405 0.000 2.821) 3.152 16.062 ( -1.297 -0.000 -1.592) 2.054 16.074 ( 1.909 0.000 3.119) 3.657 16.127 ( 2.264 0.000 1.847) 2.922 16.203 ( -4.377 0.000 -3.412) 5.550 16.425 ( 5.219 0.000 -0.965) 5.307 16.553 ( -1.035 0.000 4.529) 4.646 16.582 ( 0.890 0.000 2.406) 2.565 17.048 ( -0.133 0.000 0.543) 0.559 17.066 ( 0.515 0.000 1.801) 1.873 17.165 ( -2.202 0.000 -3.254) 3.929 17.219 ( -0.565 0.000 -1.345) 1.459 17.312 ( -1.706 0.000 0.043) 1.707 17.404 ( 2.419 0.000 2.644) 3.584 17.515 ( -2.504 0.000 -2.253) 3.368 17.637 ( 2.109 0.000 1.121) 2.388 18.084 ( 2.356 0.000 -4.806) 5.353 18.121 ( 5.033 0.000 -4.789) 6.947 18.429 ( -5.032 0.000 0.003) 5.032 18.481 ( -2.214 0.000 0.110) 2.217 18.752 ( 0.136 0.000 -7.034) 7.035 18.810 ( 2.205 0.000 -7.639) 7.951 19.124 ( -0.402 -0.000 7.882) 7.892 19.143 ( 0.317 0.000 6.736) 6.743 20.530 ( 0.179 -0.000 5.559) 5.562 20.554 ( 0.922 0.000 5.330) 5.409 20.578 ( -1.719 -0.000 4.098) 4.444 20.609 ( -0.263 0.000 5.869) 5.875 22.031 ( -0.792 0.000 -15.354) 15.374 22.074 ( 0.935 -0.000 -14.777) 14.807 22.518 ( -0.241 0.000 7.200) 7.204 22.529 ( 0.215 -0.000 6.669) 6.672 28.039 ( -1.007 0.000 -1.694) 1.971 28.092 ( 1.083 0.000 0.283) 1.120 28.154 ( -1.481 0.000 -7.034) 7.188 28.228 ( 1.471 0.000 -6.854) 7.010 28.565 ( -1.503 0.000 7.779) 7.923 28.651 ( 2.163 0.000 6.980) 7.308 28.722 ( -1.109 0.000 1.396) 1.783 28.737 ( -0.257 -0.000 1.256) 1.282 28.790 ( 0.290 0.000 1.063) 1.102 28.798 ( 0.551 -0.000 1.422) 1.525 28.937 ( -0.319 0.000 -0.665) 0.738 28.956 ( 0.468 -0.000 -0.530) 0.707 29.144 ( -0.609 0.000 -2.016) 2.106 29.196 ( 1.684 0.000 -4.162) 4.490 29.363 ( -2.173 0.000 8.359) 8.637 29.527 ( 5.307 0.000 10.028) 11.346 29.836 ( 1.608 0.000 0.769) 1.782 29.893 ( 4.021 0.000 1.939) 4.464 30.161 ( -11.016 0.000 -1.981) 11.193 30.186 ( -8.669 0.000 0.418) 8.679 30.457 ( -0.034 0.000 -13.496) 13.496 30.459 ( -0.359 -0.000 -10.184) 10.191 30.758 ( -1.816 0.000 3.583) 4.016 30.856 ( 1.833 0.000 1.918) 2.653 31.732 ( 9.663 0.000 -0.219) 9.665 31.744 ( 10.816 -0.000 -0.480) 10.826 32.116 ( -5.291 0.000 2.751) 5.963 32.170 ( -2.071 0.000 3.075) 3.708 32.846 ( -0.104 0.000 -0.233) 0.255 32.860 ( 1.490 -0.000 0.111) 1.494 33.052 ( -3.478 0.000 -2.668) 4.384 33.065 ( -2.272 -0.000 -2.321) 3.248 ======================= Grid point 69 (30/45) ======================= q-point: (-0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 38 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.003 ( 0.000 0.000 6.780) 6.780 2.012 ( 0.000 0.000 -5.341) 5.341 2.297 ( 0.000 0.000 -3.800) 3.800 2.301 ( 0.000 0.000 1.036) 1.036 2.489 ( 0.000 0.000 3.051) 3.051 2.683 ( 0.000 0.000 -2.775) 2.775 2.697 ( 0.000 -0.000 -4.953) 4.953 2.751 ( -0.000 0.000 -3.540) 3.540 2.854 ( 0.000 -0.000 7.716) 7.716 2.876 ( 0.000 0.000 -0.015) 0.015 2.912 ( 0.000 0.000 1.680) 1.680 2.973 ( 0.000 0.000 4.075) 4.075 3.045 ( 0.000 0.000 19.663) 19.663 3.066 ( 0.000 0.000 6.873) 6.873 3.101 ( -0.000 0.000 6.659) 6.659 3.152 ( 0.000 -0.000 7.933) 7.933 3.302 ( 0.000 0.000 6.673) 6.673 3.431 ( -0.000 -0.000 3.037) 3.037 3.448 ( 0.000 0.000 6.288) 6.288 3.475 ( 0.000 0.000 14.463) 14.463 3.563 ( 0.000 -0.001 -1.981) 1.981 3.566 ( -0.000 0.001 3.037) 3.037 3.643 ( -0.000 0.000 4.799) 4.799 3.715 ( 0.000 0.000 0.416) 0.416 3.765 ( 0.000 -0.000 2.303) 2.303 3.782 ( 0.000 0.000 12.367) 12.367 3.870 ( 0.000 0.000 -9.647) 9.647 4.050 ( 0.000 0.000 -4.557) 4.557 4.073 ( 0.000 0.000 -0.431) 0.431 4.326 ( -0.000 0.000 -22.269) 22.269 4.382 ( 0.000 0.000 -11.886) 11.886 4.629 ( 0.000 0.000 -9.494) 9.494 4.710 ( 0.000 0.000 -1.157) 1.157 4.893 ( 0.000 0.000 2.672) 2.672 4.948 ( 0.000 0.000 -5.849) 5.849 4.997 ( 0.000 0.000 7.288) 7.288 5.000 ( 0.000 0.000 -0.608) 0.608 5.069 ( -0.000 0.000 -2.539) 2.539 5.077 ( 0.000 0.000 -2.938) 2.938 5.189 ( -0.000 0.000 -7.673) 7.673 5.191 ( 0.000 0.000 5.631) 5.631 5.252 ( -0.000 -0.000 4.698) 4.698 5.410 ( 0.000 0.000 2.328) 2.328 5.464 ( 0.000 0.000 1.094) 1.094 5.600 ( 0.000 0.000 4.434) 4.434 5.709 ( 0.000 -0.000 11.117) 11.117 5.758 ( 0.000 0.000 -0.689) 0.689 5.861 ( 0.000 0.000 0.108) 0.108 6.038 ( 0.000 -0.000 -5.867) 5.867 6.053 ( 0.000 0.000 -9.197) 9.197 6.178 ( 0.000 -0.000 0.753) 0.753 6.252 ( -0.000 0.000 -1.173) 1.173 6.275 ( 0.000 0.000 -5.035) 5.035 6.343 ( 0.000 0.000 -3.537) 3.537 6.529 ( 0.000 0.000 9.390) 9.390 6.656 ( 0.000 0.000 5.760) 5.760 6.672 ( 0.000 0.000 4.705) 4.705 6.728 ( 0.000 0.000 7.337) 7.337 6.757 ( 0.000 0.000 -4.219) 4.219 6.865 ( 0.000 0.000 5.111) 5.111 6.982 ( 0.000 0.000 -7.021) 7.021 7.125 ( 0.000 0.000 -8.061) 8.061 7.187 ( 0.000 0.000 -11.130) 11.130 7.350 ( 0.000 0.000 1.631) 1.631 7.397 ( 0.000 0.000 -6.032) 6.032 7.485 ( 0.000 0.000 7.120) 7.120 7.522 ( 0.000 0.000 -10.106) 10.106 7.528 ( 0.000 0.000 -1.766) 1.766 7.682 ( 0.000 0.000 -4.643) 4.643 7.771 ( 0.000 0.000 1.873) 1.873 7.916 ( 0.000 0.000 4.434) 4.434 7.961 ( -0.000 0.000 -3.374) 3.374 7.987 ( 0.000 0.000 5.313) 5.313 8.075 ( 0.000 -0.000 8.241) 8.241 8.203 ( 0.000 0.000 1.068) 1.068 8.214 ( 0.000 0.000 2.761) 2.761 8.499 ( 0.000 0.000 -6.232) 6.232 8.680 ( -0.000 0.000 4.134) 4.134 8.728 ( 0.000 0.000 -2.652) 2.652 8.728 ( 0.000 0.000 -11.805) 11.805 8.850 ( 0.000 0.000 4.256) 4.256 9.181 ( 0.000 0.000 -5.662) 5.662 9.230 ( 0.000 0.000 12.370) 12.370 9.233 ( 0.000 0.000 1.266) 1.266 9.349 ( 0.000 0.000 -5.415) 5.415 9.492 ( -0.000 0.000 -16.950) 16.950 9.504 ( 0.000 0.000 -1.729) 1.729 9.729 ( -0.000 0.000 2.656) 2.656 9.736 ( 0.000 0.000 -1.946) 1.946 9.777 ( 0.000 0.000 5.611) 5.611 9.807 ( 0.000 0.000 -0.114) 0.114 9.967 ( 0.000 0.000 8.383) 8.383 10.017 ( 0.000 0.000 -0.813) 0.813 10.033 ( 0.000 0.000 2.235) 2.235 10.074 ( -0.000 0.000 12.207) 12.207 10.229 ( 0.000 0.000 2.767) 2.767 10.295 ( 0.000 0.000 -2.969) 2.969 10.452 ( 0.000 0.000 5.793) 5.793 10.468 ( 0.000 0.000 0.538) 0.538 10.483 ( -0.000 0.000 4.683) 4.683 10.898 ( 0.000 0.000 -1.077) 1.077 10.951 ( 0.000 0.000 -0.112) 0.112 11.114 ( 0.000 0.000 -2.207) 2.207 11.178 ( -0.000 0.000 -2.323) 2.323 11.186 ( 0.000 0.000 -3.260) 3.260 11.354 ( 0.000 0.000 -1.019) 1.019 11.408 ( 0.000 0.000 -0.168) 0.168 11.513 ( -0.000 0.000 1.238) 1.238 11.574 ( 0.000 -0.000 -3.128) 3.128 11.592 ( 0.000 0.000 -9.562) 9.562 11.666 ( 0.000 0.000 7.811) 7.811 11.891 ( 0.000 0.000 4.899) 4.899 13.265 ( 0.000 0.000 -5.605) 5.605 13.578 ( 0.000 0.000 -15.245) 15.245 13.619 ( 0.000 0.000 9.960) 9.960 13.977 ( 0.000 0.000 0.043) 0.043 14.761 ( 0.000 0.000 2.277) 2.277 14.779 ( 0.000 0.000 1.379) 1.379 14.853 ( 0.000 0.000 -0.546) 0.546 14.894 ( 0.000 0.000 -0.572) 0.572 15.041 ( 0.000 0.000 2.470) 2.470 15.118 ( 0.000 0.000 8.325) 8.325 15.186 ( 0.000 0.000 -7.020) 7.020 15.279 ( 0.000 0.000 0.704) 0.704 15.508 ( -0.000 0.000 0.501) 0.501 15.513 ( 0.000 0.000 1.325) 1.325 15.524 ( 0.000 0.000 -4.565) 4.565 15.677 ( 0.000 0.000 -1.386) 1.386 15.959 ( 0.000 0.000 2.018) 2.018 16.048 ( 0.000 0.000 -1.811) 1.811 16.094 ( 0.000 0.000 -1.309) 1.309 16.145 ( 0.000 0.000 2.797) 2.797 16.165 ( 0.000 0.000 0.406) 0.406 16.497 ( 0.000 0.000 -3.281) 3.281 16.524 ( 0.000 0.000 8.230) 8.230 16.593 ( 0.000 0.000 2.069) 2.069 17.048 ( 0.000 0.000 -0.004) 0.004 17.073 ( 0.000 0.000 1.868) 1.868 17.140 ( 0.000 0.000 -3.426) 3.426 17.208 ( 0.000 0.000 -0.722) 0.722 17.294 ( 0.000 0.000 -0.360) 0.360 17.435 ( 0.000 0.000 6.368) 6.368 17.486 ( 0.000 0.000 -6.053) 6.053 17.657 ( 0.000 0.000 1.548) 1.548 18.116 ( 0.000 0.000 -6.593) 6.593 18.203 ( 0.000 0.000 -9.251) 9.251 18.350 ( 0.000 0.000 4.424) 4.424 18.450 ( 0.000 0.000 1.848) 1.848 18.755 ( 0.000 0.000 -7.149) 7.149 18.834 ( 0.000 0.000 -8.072) 8.072 19.120 ( 0.000 -0.000 8.340) 8.340 19.146 ( 0.000 0.000 6.616) 6.616 20.543 ( 0.000 0.000 5.378) 5.378 20.547 ( -0.000 0.000 3.900) 3.900 20.565 ( 0.000 -0.000 4.035) 4.035 20.603 ( 0.000 0.000 7.427) 7.427 22.023 ( 0.000 0.000 -15.550) 15.550 22.084 ( 0.000 -0.000 -14.764) 14.764 22.515 ( 0.000 0.000 7.399) 7.399 22.531 ( 0.000 -0.000 6.620) 6.620 28.029 ( 0.000 0.000 -2.047) 2.047 28.103 ( 0.000 0.000 0.765) 0.765 28.139 ( 0.000 0.000 -7.039) 7.039 28.243 ( 0.000 0.000 -6.744) 6.744 28.550 ( 0.000 0.000 7.883) 7.883 28.680 ( 0.000 0.000 8.658) 8.658 28.704 ( -0.000 0.000 -0.284) 0.284 28.734 ( 0.000 -0.000 1.380) 1.380 28.794 ( 0.000 0.000 0.990) 0.990 28.804 ( 0.000 0.000 1.430) 1.430 28.934 ( 0.000 0.000 -0.990) 0.990 28.961 ( 0.000 0.000 -0.686) 0.686 29.138 ( 0.000 0.000 -1.551) 1.551 29.216 ( 0.000 0.000 -5.045) 5.045 29.341 ( 0.000 0.000 8.658) 8.658 29.591 ( 0.000 0.000 12.065) 12.065 29.908 ( 0.000 0.000 -1.602) 1.602 29.972 ( -0.000 0.000 -2.643) 2.643 29.984 ( 0.000 0.000 -1.220) 1.220 30.038 ( 0.000 0.000 3.528) 3.528 30.455 ( 0.000 0.000 -9.805) 9.805 30.457 ( 0.000 -0.000 -14.426) 14.426 30.739 ( 0.000 0.000 4.658) 4.658 30.874 ( 0.000 0.000 2.298) 2.298 31.866 ( 0.000 0.000 0.766) 0.766 31.956 ( 0.000 0.000 -3.532) 3.532 31.970 ( -0.000 0.000 6.452) 6.452 32.127 ( 0.000 0.000 3.137) 3.137 32.845 ( 0.000 0.000 -0.979) 0.979 32.891 ( -0.000 0.000 0.763) 0.763 32.996 ( 0.000 0.000 -3.905) 3.905 33.035 ( 0.000 0.000 -2.350) 2.350 ======================= Grid point 90 (31/45) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( 0.000 0.000 32.901) 32.901 1.488 ( 0.000 0.000 32.276) 32.276 1.944 ( 0.000 0.000 -14.369) 14.369 1.979 ( 0.000 0.000 -13.565) 13.565 2.342 ( 0.000 0.000 1.249) 1.249 2.402 ( 0.000 0.000 -5.742) 5.742 2.411 ( 0.000 0.000 8.082) 8.082 2.544 ( 0.000 0.000 26.740) 26.740 2.563 ( 0.000 0.000 -5.299) 5.299 2.710 ( 0.000 0.000 12.104) 12.104 2.855 ( 0.000 0.000 -11.098) 11.098 2.896 ( 0.000 0.000 -4.419) 4.419 3.085 ( 0.000 0.000 3.791) 3.791 3.140 ( 0.000 0.000 4.166) 4.166 3.223 ( 0.000 0.000 9.159) 9.159 3.249 ( 0.000 0.000 -2.930) 2.930 3.259 ( 0.000 0.000 -13.363) 13.363 3.331 ( 0.000 0.000 -2.867) 2.867 3.422 ( 0.000 0.000 -0.982) 0.982 3.450 ( 0.000 0.000 0.863) 0.863 3.515 ( 0.000 0.000 0.216) 0.216 3.517 ( 0.000 0.000 -0.126) 0.126 3.764 ( 0.000 0.000 5.658) 5.658 3.781 ( 0.000 0.000 16.788) 16.788 3.852 ( 0.000 0.000 -0.510) 0.510 3.980 ( 0.000 0.000 18.439) 18.439 4.045 ( 0.000 0.000 -7.702) 7.702 4.211 ( 0.000 0.000 8.129) 8.129 4.416 ( 0.000 0.000 -5.470) 5.470 4.486 ( 0.000 0.000 8.205) 8.205 4.634 ( 0.000 0.000 -19.808) 19.808 4.681 ( 0.000 0.000 10.906) 10.906 4.692 ( 0.000 0.000 -25.997) 25.997 4.731 ( 0.000 0.000 3.297) 3.297 4.914 ( 0.000 0.000 6.010) 6.010 4.958 ( 0.000 0.000 2.411) 2.411 4.992 ( 0.000 0.000 -3.107) 3.107 5.030 ( 0.000 0.000 -3.823) 3.823 5.102 ( 0.000 0.000 -4.857) 4.857 5.110 ( 0.000 0.000 4.746) 4.746 5.203 ( 0.000 0.000 9.629) 9.629 5.361 ( 0.000 0.000 -4.934) 4.934 5.428 ( 0.000 0.000 3.404) 3.404 5.439 ( 0.000 0.000 4.247) 4.247 5.523 ( 0.000 0.000 0.084) 0.084 5.602 ( 0.000 0.000 -6.139) 6.139 5.737 ( 0.000 0.000 -5.211) 5.211 5.771 ( 0.000 0.000 -8.455) 8.455 5.928 ( 0.000 0.000 8.818) 8.818 5.997 ( 0.000 0.000 1.091) 1.091 6.094 ( 0.000 0.000 3.636) 3.636 6.142 ( 0.000 0.000 0.192) 0.192 6.177 ( 0.000 0.000 2.016) 2.016 6.342 ( 0.000 0.000 -12.846) 12.846 6.382 ( 0.000 0.000 -3.076) 3.076 6.398 ( 0.000 0.000 -2.138) 2.138 6.551 ( 0.000 0.000 -5.627) 5.627 6.613 ( 0.000 0.000 -8.229) 8.229 6.751 ( 0.000 0.000 -1.077) 1.077 6.761 ( 0.000 0.000 -0.933) 0.933 6.809 ( 0.000 0.000 2.217) 2.217 6.988 ( 0.000 0.000 -15.188) 15.188 7.046 ( 0.000 0.000 2.678) 2.678 7.137 ( 0.000 0.000 -6.987) 6.987 7.376 ( 0.000 0.000 2.401) 2.401 7.406 ( 0.000 0.000 -0.442) 0.442 7.571 ( 0.000 0.000 6.318) 6.318 7.732 ( 0.000 0.000 -8.241) 8.241 7.886 ( 0.000 0.000 4.102) 4.102 7.934 ( 0.000 0.000 5.380) 5.380 7.967 ( 0.000 0.000 2.012) 2.012 7.994 ( 0.000 0.000 -6.659) 6.659 8.191 ( 0.000 0.000 6.831) 6.831 8.279 ( 0.000 0.000 -2.541) 2.541 8.328 ( 0.000 0.000 -0.603) 0.603 8.330 ( 0.000 0.000 -1.530) 1.530 8.698 ( 0.000 0.000 3.521) 3.521 8.717 ( 0.000 0.000 1.224) 1.224 8.807 ( 0.000 0.000 7.921) 7.921 8.903 ( 0.000 0.000 0.265) 0.265 8.966 ( 0.000 0.000 4.853) 4.853 8.999 ( 0.000 0.000 2.392) 2.392 9.001 ( 0.000 0.000 7.967) 7.967 9.041 ( 0.000 0.000 7.118) 7.118 9.289 ( 0.000 0.000 -6.109) 6.109 9.322 ( 0.000 0.000 -5.915) 5.915 9.333 ( 0.000 0.000 -2.162) 2.162 9.340 ( 0.000 0.000 -1.515) 1.515 9.554 ( 0.000 0.000 -2.202) 2.202 9.603 ( 0.000 0.000 -5.716) 5.716 9.794 ( 0.000 0.000 1.507) 1.507 9.817 ( 0.000 0.000 -1.192) 1.192 9.960 ( 0.000 0.000 15.252) 15.252 9.961 ( 0.000 0.000 11.127) 11.127 10.085 ( 0.000 0.000 -1.253) 1.253 10.233 ( 0.000 0.000 -1.755) 1.755 10.243 ( 0.000 0.000 -10.694) 10.694 10.358 ( 0.000 0.000 -13.078) 13.078 10.424 ( 0.000 0.000 6.724) 6.724 10.524 ( 0.000 0.000 -3.624) 3.624 10.880 ( 0.000 0.000 6.832) 6.832 10.985 ( 0.000 0.000 -2.062) 2.062 11.143 ( 0.000 0.000 1.302) 1.302 11.176 ( 0.000 0.000 -3.116) 3.116 11.303 ( 0.000 0.000 3.666) 3.666 11.380 ( 0.000 0.000 -3.919) 3.919 11.602 ( 0.000 0.000 12.029) 12.029 11.694 ( 0.000 0.000 10.105) 10.105 11.733 ( 0.000 0.000 18.971) 18.971 11.786 ( 0.000 0.000 -7.611) 7.611 11.879 ( 0.000 0.000 -7.583) 7.583 12.186 ( 0.000 0.000 -22.612) 22.612 13.276 ( 0.000 0.000 11.175) 11.175 13.529 ( 0.000 0.000 -13.948) 13.948 13.535 ( 0.000 0.000 5.333) 5.333 13.664 ( 0.000 0.000 -8.025) 8.025 14.673 ( 0.000 0.000 11.876) 11.876 14.755 ( 0.000 0.000 6.299) 6.299 14.850 ( 0.000 0.000 -3.364) 3.364 14.860 ( 0.000 0.000 1.077) 1.077 14.921 ( 0.000 0.000 4.454) 4.454 14.947 ( 0.000 0.000 -9.378) 9.378 14.997 ( 0.000 0.000 -5.988) 5.988 15.018 ( 0.000 0.000 -5.461) 5.461 15.615 ( 0.000 0.000 8.390) 8.390 15.655 ( 0.000 0.000 7.012) 7.012 15.753 ( 0.000 0.000 -4.569) 4.569 15.754 ( 0.000 0.000 -2.608) 2.608 16.057 ( 0.000 0.000 -1.288) 1.288 16.082 ( 0.000 0.000 -3.311) 3.311 16.090 ( 0.000 0.000 2.478) 2.478 16.147 ( 0.000 0.000 -2.767) 2.767 16.301 ( 0.000 0.000 6.383) 6.383 16.353 ( 0.000 0.000 0.668) 0.668 16.363 ( 0.000 0.000 -0.359) 0.359 16.424 ( 0.000 0.000 -5.619) 5.619 17.093 ( 0.000 0.000 4.094) 4.094 17.107 ( 0.000 0.000 0.381) 0.381 17.128 ( 0.000 0.000 -1.676) 1.676 17.182 ( 0.000 0.000 -4.419) 4.419 17.355 ( 0.000 0.000 2.242) 2.242 17.390 ( 0.000 0.000 -1.330) 1.330 17.393 ( 0.000 0.000 0.139) 0.139 17.407 ( 0.000 0.000 -1.557) 1.557 17.973 ( 0.000 0.000 1.165) 1.165 17.993 ( 0.000 0.000 -0.714) 0.714 18.124 ( 0.000 0.000 0.906) 0.906 18.157 ( 0.000 0.000 -2.364) 2.364 18.733 ( 0.000 0.000 5.605) 5.605 18.837 ( 0.000 0.000 -4.623) 4.623 18.931 ( 0.000 0.000 7.691) 7.691 19.089 ( 0.000 0.000 -7.917) 7.917 20.363 ( 0.000 0.000 8.966) 8.966 20.541 ( 0.000 0.000 -8.478) 8.478 20.591 ( 0.000 0.000 13.962) 13.962 20.918 ( 0.000 0.000 -18.590) 18.590 22.295 ( 0.000 0.000 19.780) 19.780 22.420 ( 0.000 0.000 13.725) 13.725 22.656 ( 0.000 0.000 -9.910) 9.910 22.699 ( 0.000 0.000 -19.837) 19.837 28.081 ( 0.000 0.000 2.881) 2.881 28.139 ( 0.000 0.000 -2.821) 2.821 28.146 ( 0.000 0.000 2.548) 2.548 28.203 ( 0.000 0.000 -3.201) 3.201 28.440 ( 0.000 0.000 1.522) 1.522 28.468 ( 0.000 0.000 -1.112) 1.112 28.650 ( 0.000 0.000 0.766) 0.766 28.678 ( 0.000 0.000 -2.196) 2.196 29.008 ( 0.000 0.000 8.622) 8.622 29.131 ( 0.000 0.000 3.754) 3.754 29.172 ( 0.000 0.000 -7.902) 7.902 29.184 ( 0.000 0.000 -1.111) 1.111 29.276 ( 0.000 0.000 15.386) 15.386 29.545 ( 0.000 0.000 -9.752) 9.752 29.725 ( 0.000 0.000 1.884) 1.884 29.765 ( 0.000 0.000 -1.879) 1.879 29.909 ( 0.000 0.000 6.408) 6.408 30.073 ( 0.000 0.000 -8.802) 8.802 30.331 ( 0.000 0.000 1.393) 1.393 30.366 ( 0.000 0.000 -2.053) 2.053 30.517 ( 0.000 0.000 1.137) 1.137 30.524 ( 0.000 0.000 1.072) 1.072 30.545 ( 0.000 0.000 -1.620) 1.620 30.546 ( 0.000 0.000 -1.049) 1.049 31.930 ( 0.000 0.000 3.133) 3.133 31.993 ( 0.000 0.000 -3.038) 3.038 32.173 ( 0.000 0.000 -0.896) 0.896 32.184 ( 0.000 0.000 -1.953) 1.953 32.260 ( 0.000 0.000 5.739) 5.739 32.381 ( 0.000 0.000 -6.027) 6.027 32.720 ( 0.000 0.000 3.439) 3.439 32.778 ( 0.000 0.000 -2.315) 2.315 ======================= Grid point 91 (32/45) ======================= q-point: ( 0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( 13.419 0.000 27.585) 30.676 1.633 ( 16.873 0.000 27.917) 32.620 2.034 ( 3.336 0.000 -9.286) 9.867 2.110 ( 11.737 0.000 -14.132) 18.371 2.303 ( -8.307 0.000 10.374) 13.290 2.310 ( -1.359 0.000 4.701) 4.893 2.412 ( 0.522 0.000 -7.311) 7.330 2.495 ( -2.601 0.000 -2.031) 3.300 2.657 ( 5.462 0.000 11.534) 12.762 2.684 ( -1.369 0.000 6.958) 7.091 2.859 ( -3.030 0.000 -8.798) 9.306 2.865 ( -3.612 0.000 -8.372) 9.118 3.080 ( -1.748 0.000 5.396) 5.672 3.102 ( 1.783 0.000 4.644) 4.975 3.144 ( -3.572 0.000 -0.236) 3.580 3.207 ( -3.682 0.000 -5.683) 6.772 3.292 ( 3.576 0.000 7.104) 7.954 3.336 ( 1.058 0.000 0.270) 1.092 3.453 ( 4.360 0.000 0.711) 4.418 3.493 ( -2.000 0.000 3.543) 4.068 3.524 ( 4.809 0.000 -3.027) 5.682 3.557 ( 0.973 0.000 -2.497) 2.680 3.691 ( -6.771 0.000 5.537) 8.747 3.792 ( -6.266 0.000 -1.642) 6.478 3.834 ( 6.288 0.000 17.676) 18.761 3.918 ( -2.025 0.000 10.889) 11.076 4.085 ( 2.961 0.000 1.656) 3.393 4.101 ( -8.550 0.000 7.115) 11.123 4.266 ( -14.810 0.000 -6.254) 16.076 4.507 ( 1.940 0.000 -2.703) 3.327 4.573 ( -11.986 0.000 17.285) 21.034 4.707 ( 5.001 0.000 -8.480) 9.845 4.771 ( -11.130 0.000 -2.101) 11.326 4.789 ( 9.580 0.000 -17.784) 20.200 4.836 ( 1.968 0.000 5.323) 5.675 4.932 ( 1.371 0.000 1.167) 1.801 4.982 ( 6.018 0.000 3.071) 6.756 5.047 ( -3.558 0.000 0.408) 3.581 5.079 ( 6.880 0.000 -6.057) 9.166 5.126 ( 0.259 0.000 -4.652) 4.659 5.333 ( 7.779 0.000 5.223) 9.370 5.396 ( -2.278 0.000 4.269) 4.839 5.440 ( -0.533 0.000 1.716) 1.797 5.442 ( 3.647 0.000 -3.669) 5.173 5.535 ( 0.999 0.000 0.239) 1.027 5.605 ( 0.605 0.000 -5.652) 5.684 5.677 ( -5.868 0.000 -5.071) 7.755 5.718 ( -5.385 0.000 -8.833) 10.345 5.989 ( 4.554 0.000 6.740) 8.134 6.043 ( 5.418 0.000 1.527) 5.629 6.091 ( -1.954 0.000 6.177) 6.478 6.163 ( 3.873 0.000 0.610) 3.921 6.208 ( 3.737 0.000 -0.503) 3.771 6.327 ( -1.123 0.000 -11.190) 11.247 6.335 ( -4.758 0.000 -4.288) 6.405 6.380 ( -2.716 0.000 -8.242) 8.678 6.525 ( -1.180 0.000 -1.160) 1.654 6.589 ( -9.481 0.000 4.572) 10.526 6.624 ( 0.058 0.000 -8.420) 8.420 6.736 ( -4.663 0.000 -9.001) 10.137 6.838 ( 1.742 0.000 4.814) 5.119 6.979 ( -5.372 0.000 5.472) 7.668 7.044 ( 3.867 0.000 -15.519) 15.994 7.127 ( -0.978 0.000 -10.050) 10.098 7.392 ( 2.560 0.000 3.218) 4.112 7.457 ( 3.336 0.000 -3.097) 4.552 7.548 ( -2.224 0.000 2.443) 3.304 7.626 ( -7.469 0.000 -3.938) 8.443 7.905 ( 2.574 0.000 7.584) 8.009 7.963 ( 1.838 0.000 6.722) 6.969 8.042 ( 3.899 0.000 -5.375) 6.640 8.064 ( 5.721 0.000 -2.458) 6.227 8.222 ( 2.248 0.000 5.003) 5.485 8.291 ( 1.235 0.000 -2.193) 2.517 8.300 ( -1.679 0.000 3.152) 3.571 8.362 ( 0.154 0.000 -2.753) 2.758 8.701 ( 2.488 0.000 6.420) 6.885 8.768 ( 4.000 0.000 0.004) 4.000 8.826 ( 1.012 0.000 6.250) 6.331 8.893 ( -1.970 0.000 2.598) 3.261 8.961 ( 0.309 0.000 6.007) 6.015 9.009 ( 0.469 0.000 7.763) 7.777 9.048 ( 4.197 0.000 -0.401) 4.216 9.087 ( 4.407 0.000 8.693) 9.746 9.250 ( -3.241 0.000 -8.049) 8.677 9.305 ( -2.702 0.000 -0.818) 2.823 9.319 ( 0.291 0.000 -7.928) 7.934 9.352 ( 0.492 0.000 -3.442) 3.476 9.580 ( 2.626 0.000 0.344) 2.648 9.652 ( 3.760 0.000 -6.145) 7.204 9.739 ( -4.778 0.000 3.133) 5.713 9.788 ( -2.427 0.000 -1.953) 3.115 9.953 ( -0.196 0.000 13.564) 13.565 9.974 ( 0.651 0.000 9.070) 9.093 10.113 ( 0.933 0.000 -2.155) 2.348 10.176 ( -4.371 0.000 -5.475) 7.005 10.231 ( 2.041 0.000 2.507) 3.233 10.436 ( -3.008 0.000 4.534) 5.442 10.437 ( 6.112 0.000 -15.567) 16.724 10.524 ( 1.881 0.000 -7.015) 7.263 10.873 ( -0.138 0.000 7.566) 7.567 11.000 ( 1.330 0.000 -4.085) 4.296 11.043 ( -8.249 0.000 1.312) 8.353 11.103 ( -4.005 0.000 -3.998) 5.659 11.365 ( 4.819 0.000 5.909) 7.625 11.475 ( 6.578 0.000 -3.702) 7.548 11.562 ( -3.832 0.000 10.530) 11.206 11.696 ( -3.595 0.000 7.228) 8.073 11.715 ( 1.818 0.000 10.223) 10.383 11.777 ( -0.920 0.000 3.342) 3.466 11.913 ( 3.268 0.000 -7.691) 8.356 12.112 ( -5.922 0.000 -16.242) 17.288 13.349 ( 5.755 0.000 9.811) 11.375 13.513 ( -2.103 0.000 6.864) 7.179 13.572 ( 3.726 0.000 -12.412) 12.959 13.667 ( -0.130 0.000 -8.810) 8.811 14.676 ( 0.385 0.000 10.847) 10.854 14.726 ( -2.054 0.000 6.816) 7.118 14.850 ( -0.332 0.000 -4.716) 4.728 14.855 ( -0.497 0.000 0.191) 0.532 14.919 ( -0.173 0.000 2.404) 2.410 14.932 ( -1.068 0.000 -6.767) 6.851 15.009 ( 0.868 0.000 -7.622) 7.672 15.022 ( 0.306 0.000 -6.453) 6.460 15.618 ( 0.278 0.000 8.154) 8.159 15.641 ( -0.977 0.000 7.166) 7.232 15.752 ( -0.052 0.000 -4.528) 4.528 15.754 ( -0.096 0.000 -3.625) 3.626 16.052 ( 0.295 0.000 1.955) 1.977 16.077 ( -0.982 0.000 3.507) 3.642 16.127 ( 2.657 0.000 -4.736) 5.430 16.156 ( 0.546 0.000 -3.818) 3.857 16.316 ( 1.284 0.000 5.696) 5.839 16.350 ( -0.096 0.000 1.761) 1.764 16.383 ( 1.437 0.000 -1.399) 2.005 16.424 ( -0.163 0.000 -4.908) 4.911 17.088 ( -0.490 0.000 4.001) 4.031 17.093 ( -0.988 0.000 1.580) 1.863 17.141 ( 1.009 0.000 -3.327) 3.476 17.177 ( -0.520 0.000 -4.547) 4.577 17.372 ( 1.357 0.000 0.975) 1.671 17.395 ( 0.378 0.000 -1.121) 1.183 17.395 ( 0.177 0.000 -0.125) 0.217 17.405 ( -0.215 0.000 -1.429) 1.445 17.998 ( 2.234 0.000 1.171) 2.522 18.023 ( 2.809 0.000 -1.277) 3.086 18.103 ( -2.061 0.000 1.134) 2.352 18.139 ( -1.850 0.000 -2.481) 3.095 18.764 ( 2.970 0.000 6.323) 6.985 18.890 ( 4.702 0.000 -6.319) 7.877 18.905 ( -2.586 0.000 7.712) 8.134 19.065 ( -2.514 0.000 -8.156) 8.535 20.390 ( 2.747 0.000 9.362) 9.756 20.551 ( -3.703 0.000 12.862) 13.384 20.575 ( 3.590 0.000 -8.584) 9.305 20.835 ( -7.285 0.000 -14.755) 16.455 22.295 ( 0.079 0.000 20.013) 20.013 22.361 ( -3.980 0.000 18.084) 18.517 22.682 ( 1.476 0.000 -14.650) 14.724 22.699 ( -0.001 0.000 -19.723) 19.723 28.090 ( 0.909 0.000 2.808) 2.952 28.136 ( -0.939 0.000 2.568) 2.734 28.147 ( 0.749 0.000 -2.708) 2.809 28.191 ( -1.095 0.000 -2.915) 3.114 28.470 ( 2.916 0.000 1.530) 3.293 28.497 ( 2.774 0.000 -1.076) 2.975 28.622 ( -2.863 0.000 0.801) 2.972 28.641 ( -3.355 0.000 -1.264) 3.586 29.031 ( 2.200 0.000 8.528) 8.808 29.127 ( -0.680 0.000 4.302) 4.355 29.173 ( -0.060 0.000 -3.103) 3.103 29.177 ( -0.716 0.000 0.914) 1.161 29.308 ( 3.489 0.000 10.065) 10.652 29.559 ( 1.452 0.000 -10.785) 10.883 29.596 ( -10.043 0.000 5.135) 11.280 29.720 ( -4.994 0.000 -6.156) 7.927 29.935 ( 2.733 0.000 7.041) 7.553 30.091 ( 1.783 0.000 -7.783) 7.984 30.191 ( -10.284 0.000 3.079) 10.735 30.244 ( -7.158 0.000 -2.049) 7.446 30.521 ( 0.405 0.000 1.268) 1.331 30.536 ( 0.136 0.000 1.521) 1.528 30.550 ( 0.530 0.000 -1.626) 1.710 30.565 ( 0.580 0.000 -1.333) 1.454 32.039 ( 7.708 0.000 4.672) 9.014 32.138 ( 8.313 0.000 -5.049) 9.726 32.158 ( -1.019 0.000 0.729) 1.253 32.199 ( 0.920 0.000 -3.169) 3.299 32.303 ( 5.072 0.000 4.994) 7.118 32.434 ( 6.595 0.000 -7.871) 10.269 32.654 ( -6.513 0.000 4.352) 7.833 32.738 ( -4.207 0.000 -3.979) 5.791 ======================= Grid point 92 (33/45) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.898 ( -0.041 0.000 18.274) 18.274 1.898 ( 0.041 0.000 18.274) 18.274 2.010 ( -3.028 0.000 12.646) 13.003 2.010 ( 3.028 0.000 12.646) 13.003 2.371 ( -0.361 0.000 -7.884) 7.893 2.371 ( 0.361 0.000 -7.884) 7.893 2.400 ( -1.882 0.000 -5.344) 5.666 2.400 ( 1.882 0.000 -5.344) 5.666 2.698 ( -0.354 0.000 0.394) 0.530 2.698 ( 0.354 0.000 0.394) 0.530 2.788 ( -0.211 0.000 -6.581) 6.585 2.788 ( 0.211 0.000 -6.581) 6.585 3.113 ( -1.053 0.000 3.708) 3.855 3.113 ( 1.053 0.000 3.708) 3.855 3.148 ( -0.203 0.000 -0.944) 0.965 3.148 ( 0.203 0.000 -0.944) 0.965 3.403 ( -4.894 0.000 7.207) 8.712 3.403 ( 4.894 0.000 7.207) 8.712 3.462 ( -10.040 0.000 3.669) 10.689 3.462 ( 10.040 0.000 3.669) 10.689 3.549 ( -3.398 0.000 2.275) 4.090 3.549 ( 3.398 0.000 2.275) 4.090 3.642 ( -6.024 0.000 -4.422) 7.473 3.642 ( 6.024 0.000 -4.422) 7.473 3.947 ( -5.045 0.000 5.720) 7.627 3.947 ( 5.045 0.000 5.720) 7.627 4.006 ( -9.703 0.000 5.899) 11.355 4.006 ( 9.703 0.000 5.899) 11.355 4.241 ( -14.061 0.000 14.052) 19.879 4.241 ( 14.061 0.000 14.052) 19.879 4.584 ( -5.609 0.000 -3.819) 6.786 4.584 ( 5.609 0.000 -3.819) 6.786 4.821 ( -2.730 0.000 -0.874) 2.866 4.821 ( 2.730 0.000 -0.874) 2.866 4.944 ( -2.722 0.000 -4.088) 4.911 4.944 ( 2.722 0.000 -4.088) 4.911 5.047 ( -0.584 0.000 1.711) 1.808 5.047 ( 0.584 0.000 1.711) 1.808 5.152 ( -0.149 0.000 -7.373) 7.374 5.152 ( 0.149 0.000 -7.373) 7.374 5.392 ( -0.895 0.000 1.655) 1.881 5.392 ( 0.895 0.000 1.655) 1.881 5.455 ( -0.189 0.000 -0.735) 0.759 5.455 ( 0.189 0.000 -0.735) 0.759 5.556 ( -3.229 0.000 -0.592) 3.283 5.556 ( 3.229 0.000 -0.592) 3.283 5.633 ( -1.025 0.000 -7.345) 7.416 5.633 ( 1.025 0.000 -7.345) 7.416 6.051 ( -0.333 0.000 6.390) 6.398 6.051 ( 0.333 0.000 6.390) 6.398 6.183 ( -3.219 0.000 -2.233) 3.918 6.183 ( 3.219 0.000 -2.233) 3.918 6.269 ( -0.515 0.000 -2.897) 2.942 6.269 ( 0.515 0.000 -2.897) 2.942 6.322 ( -1.526 0.000 -8.839) 8.970 6.322 ( 1.526 0.000 -8.839) 8.970 6.486 ( -1.139 0.000 4.924) 5.054 6.486 ( 1.139 0.000 4.924) 5.054 6.645 ( -2.351 0.000 -9.707) 9.988 6.645 ( 2.351 0.000 -9.707) 9.988 6.887 ( -2.243 0.000 6.273) 6.662 6.887 ( 2.243 0.000 6.273) 6.662 7.100 ( -1.756 0.000 -14.714) 14.819 7.100 ( 1.756 0.000 -14.714) 14.819 7.472 ( -4.826 0.000 1.742) 5.130 7.472 ( 4.826 0.000 1.742) 5.130 7.518 ( -3.134 0.000 -3.232) 4.501 7.518 ( 3.134 0.000 -3.232) 4.501 7.965 ( -1.633 0.000 8.888) 9.037 7.965 ( 1.633 0.000 8.888) 9.037 8.108 ( -0.517 0.000 -5.112) 5.138 8.108 ( 0.517 0.000 -5.112) 5.138 8.258 ( -0.740 0.000 5.608) 5.656 8.258 ( 0.740 0.000 5.608) 5.656 8.331 ( -1.889 0.000 -2.618) 3.229 8.331 ( 1.889 0.000 -2.618) 3.229 8.793 ( -3.622 0.000 5.629) 6.694 8.793 ( 3.622 0.000 5.629) 6.694 8.842 ( -2.005 0.000 2.495) 3.200 8.842 ( 2.005 0.000 2.495) 3.200 8.986 ( -0.449 0.000 8.440) 8.452 8.986 ( 0.449 0.000 8.440) 8.452 9.135 ( -0.452 0.000 3.267) 3.298 9.135 ( 0.452 0.000 3.267) 3.298 9.234 ( -2.086 0.000 -5.884) 6.243 9.234 ( 2.086 0.000 -5.884) 6.243 9.340 ( -0.227 0.000 -7.357) 7.360 9.340 ( 0.227 0.000 -7.357) 7.360 9.645 ( -4.016 0.000 3.629) 5.413 9.645 ( 4.016 0.000 3.629) 5.413 9.727 ( -2.387 0.000 -4.775) 5.338 9.727 ( 2.387 0.000 -4.775) 5.338 9.966 ( -0.320 0.000 9.891) 9.896 9.966 ( 0.320 0.000 9.891) 9.896 10.119 ( -0.745 0.000 -2.697) 2.798 10.119 ( 0.745 0.000 -2.697) 2.798 10.328 ( -6.081 0.000 5.834) 8.427 10.328 ( 6.081 0.000 5.834) 8.427 10.534 ( -0.531 0.000 -14.675) 14.685 10.534 ( 0.531 0.000 -14.675) 14.685 10.907 ( -2.128 0.000 6.122) 6.482 10.907 ( 2.128 0.000 6.122) 6.482 11.037 ( -0.629 0.000 -5.733) 5.767 11.037 ( 0.629 0.000 -5.733) 5.767 11.467 ( -5.271 0.000 8.298) 9.831 11.467 ( 5.271 0.000 8.298) 9.831 11.599 ( -5.778 0.000 -1.638) 6.006 11.599 ( 5.778 0.000 -1.638) 6.006 11.752 ( -0.470 0.000 10.046) 10.056 11.752 ( 0.470 0.000 10.046) 10.056 11.999 ( -1.530 0.000 -9.782) 9.901 11.999 ( 1.530 0.000 -9.782) 9.901 13.452 ( -0.829 0.000 9.043) 9.081 13.452 ( 0.829 0.000 9.043) 9.081 13.642 ( -0.288 0.000 -10.229) 10.233 13.642 ( 0.288 0.000 -10.229) 10.233 14.692 ( -0.076 0.000 8.346) 8.346 14.692 ( 0.076 0.000 8.346) 8.346 14.846 ( -0.008 0.000 -2.875) 2.875 14.846 ( 0.008 0.000 -2.875) 2.875 14.918 ( -0.007 0.000 -2.012) 2.012 14.918 ( 0.007 0.000 -2.012) 2.012 15.023 ( -0.044 0.000 -8.123) 8.123 15.023 ( 0.044 0.000 -8.123) 8.123 15.626 ( -0.180 0.000 7.640) 7.642 15.626 ( 0.180 0.000 7.640) 7.642 15.752 ( -0.003 0.000 -4.366) 4.366 15.752 ( 0.003 0.000 -4.366) 4.366 16.061 ( -0.120 0.000 4.051) 4.053 16.061 ( 0.120 0.000 4.051) 4.053 16.159 ( -0.259 0.000 -4.856) 4.863 16.159 ( 0.259 0.000 -4.856) 4.863 16.341 ( -0.078 0.000 3.777) 3.778 16.341 ( 0.078 0.000 3.777) 3.778 16.411 ( -0.120 0.000 -3.084) 3.087 16.411 ( 0.120 0.000 -3.084) 3.087 17.081 ( -0.001 0.000 3.218) 3.218 17.081 ( 0.001 0.000 3.218) 3.218 17.162 ( -0.174 0.000 -4.588) 4.591 17.162 ( 0.174 0.000 -4.588) 4.591 17.394 ( -0.110 0.000 -0.595) 0.605 17.394 ( 0.110 0.000 -0.595) 0.605 17.400 ( -0.016 0.000 -0.790) 0.790 17.400 ( 0.016 0.000 -0.790) 0.790 18.051 ( -1.139 0.000 1.350) 1.766 18.051 ( 1.139 0.000 1.350) 1.766 18.087 ( -1.445 0.000 -2.269) 2.690 18.087 ( 1.445 0.000 -2.269) 2.690 18.837 ( -0.886 0.000 7.366) 7.419 18.837 ( 0.886 0.000 7.366) 7.419 18.991 ( -1.323 0.000 -8.105) 8.212 18.991 ( 1.323 0.000 -8.105) 8.212 20.465 ( -4.448 0.000 10.762) 11.645 20.465 ( 4.448 0.000 10.762) 11.645 20.683 ( -7.092 0.000 -10.014) 12.271 20.683 ( 7.092 0.000 -10.014) 12.271 22.307 ( -0.099 0.000 20.243) 20.243 22.307 ( 0.099 0.000 20.243) 20.243 22.698 ( -0.004 0.000 -18.637) 18.637 22.698 ( 0.004 0.000 -18.637) 18.637 28.113 ( -0.517 0.000 2.667) 2.717 28.113 ( 0.517 0.000 2.667) 2.717 28.167 ( -0.419 0.000 -2.639) 2.672 28.167 ( 0.419 0.000 -2.639) 2.672 28.545 ( -3.933 0.000 1.444) 4.190 28.545 ( 3.933 0.000 1.444) 4.190 28.567 ( -3.541 0.000 -0.936) 3.663 28.567 ( 3.541 0.000 -0.936) 3.663 29.087 ( -2.191 0.000 7.167) 7.494 29.087 ( 2.191 0.000 7.167) 7.494 29.170 ( -0.003 0.000 1.826) 1.826 29.170 ( 0.003 0.000 1.826) 1.826 29.417 ( -5.586 0.000 5.095) 7.560 29.417 ( 5.586 0.000 5.095) 7.560 29.613 ( -2.547 0.000 -10.808) 11.104 29.613 ( 2.547 0.000 -10.808) 11.104 30.022 ( -6.355 0.000 6.590) 9.155 30.022 ( 6.355 0.000 6.590) 9.155 30.142 ( -3.324 0.000 -5.181) 6.156 30.142 ( 3.324 0.000 -5.181) 6.156 30.530 ( -0.350 0.000 1.550) 1.589 30.530 ( 0.350 0.000 1.550) 1.589 30.562 ( -0.073 0.000 -1.583) 1.585 30.562 ( 0.073 0.000 -1.583) 1.585 32.130 ( -1.948 0.000 3.202) 3.748 32.130 ( 1.948 0.000 3.202) 3.748 32.210 ( -0.033 0.000 -4.493) 4.493 32.210 ( 0.033 0.000 -4.493) 4.493 32.477 ( -6.447 0.000 5.676) 8.590 32.477 ( 6.447 0.000 5.676) 8.590 32.609 ( -4.042 0.000 -7.499) 8.519 32.609 ( 4.042 0.000 -7.499) 8.519 ======================= Grid point 95 (34/45) ======================= q-point: ( 0.00 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.538 ( 0.000 10.756 27.825) 29.831 1.654 ( 0.000 13.355 27.756) 30.802 2.010 ( 0.000 6.393 -11.918) 13.524 2.112 ( 0.000 9.491 -10.648) 14.264 2.372 ( 0.000 2.657 3.979) 4.785 2.411 ( 0.000 1.341 -5.344) 5.509 2.482 ( 0.000 6.916 3.543) 7.770 2.630 ( 0.000 6.703 -7.064) 9.738 2.639 ( 0.000 6.265 17.304) 18.403 2.751 ( 0.000 6.898 7.785) 10.401 2.780 ( 0.000 -6.676 -4.339) 7.962 2.910 ( 0.000 0.571 -3.390) 3.438 2.987 ( 0.000 -4.803 2.967) 5.645 3.082 ( 0.000 -4.179 -5.717) 7.081 3.173 ( 0.000 1.982 3.773) 4.262 3.303 ( 0.000 2.387 -5.914) 6.378 3.346 ( 0.000 4.613 6.352) 7.851 3.381 ( 0.000 2.066 1.576) 2.598 3.469 ( 0.000 2.357 3.094) 3.889 3.524 ( 0.000 1.756 0.787) 1.924 3.526 ( 0.000 2.721 3.440) 4.386 3.600 ( 0.000 6.790 -11.798) 13.613 3.755 ( 0.000 -2.759 17.647) 17.862 3.766 ( 0.000 1.330 6.140) 6.283 3.873 ( 0.000 1.441 6.592) 6.748 3.973 ( 0.000 0.145 11.431) 11.432 4.018 ( 0.000 -2.498 -5.033) 5.619 4.173 ( 0.000 -3.516 1.041) 3.667 4.334 ( 0.000 -10.471 16.431) 19.484 4.428 ( 0.000 0.539 -3.034) 3.081 4.552 ( 0.000 -7.176 -7.954) 10.713 4.594 ( 0.000 -1.204 4.027) 4.203 4.643 ( 0.000 -6.595 -6.529) 9.281 4.724 ( 0.000 1.301 -8.021) 8.126 4.909 ( 0.000 -0.530 -1.462) 1.556 4.928 ( 0.000 -0.107 -7.782) 7.783 5.015 ( 0.000 -3.716 -3.767) 5.292 5.028 ( 0.000 1.118 -6.087) 6.188 5.125 ( 0.000 -1.930 0.110) 1.933 5.134 ( 0.000 -2.147 -0.115) 2.150 5.249 ( 0.000 -0.277 5.352) 5.359 5.316 ( 0.000 -1.950 0.431) 1.998 5.383 ( 0.000 -3.991 3.055) 5.026 5.384 ( 0.000 2.150 2.825) 3.550 5.612 ( 0.000 7.500 0.542) 7.519 5.625 ( 0.000 4.428 -1.469) 4.666 5.778 ( 0.000 3.972 -5.168) 6.518 5.829 ( 0.000 2.868 -7.545) 8.072 5.914 ( 0.000 2.185 6.480) 6.838 5.955 ( 0.000 -2.901 0.794) 3.008 6.138 ( 0.000 -0.839 4.572) 4.648 6.151 ( 0.000 0.679 -2.273) 2.372 6.275 ( 0.000 7.203 1.855) 7.438 6.306 ( 0.000 -4.062 -10.914) 11.645 6.344 ( 0.000 -1.267 -1.079) 1.664 6.469 ( 0.000 3.489 5.183) 6.248 6.524 ( 0.000 3.074 -12.247) 12.627 6.628 ( 0.000 1.282 -6.137) 6.270 6.754 ( 0.000 -0.180 -2.727) 2.733 6.754 ( 0.000 -2.083 1.695) 2.686 6.815 ( 0.000 1.247 -4.845) 5.003 6.885 ( 0.000 -5.623 -8.894) 10.522 7.165 ( 0.000 9.104 3.307) 9.686 7.282 ( 0.000 9.590 -8.749) 12.981 7.361 ( 0.000 -0.969 3.157) 3.302 7.397 ( 0.000 -1.656 -0.386) 1.700 7.572 ( 0.000 -0.225 3.850) 3.856 7.670 ( 0.000 -4.421 -4.635) 6.405 7.870 ( 0.000 -0.302 1.762) 1.788 7.895 ( 0.000 -4.607 -0.407) 4.625 7.963 ( 0.000 0.634 2.948) 3.015 7.996 ( 0.000 -2.172 -0.738) 2.294 8.206 ( 0.000 0.881 2.446) 2.600 8.223 ( 0.000 -2.974 0.976) 3.130 8.331 ( 0.000 0.636 1.547) 1.672 8.375 ( 0.000 1.271 -1.946) 2.324 8.628 ( 0.000 -6.188 2.961) 6.860 8.673 ( 0.000 -4.584 -1.093) 4.713 8.842 ( 0.000 0.600 4.312) 4.354 8.878 ( 0.000 -0.174 3.086) 3.091 8.908 ( 0.000 -1.495 2.662) 3.053 8.910 ( 0.000 -2.528 -0.422) 2.563 9.106 ( 0.000 3.471 10.458) 11.019 9.165 ( 0.000 6.592 6.452) 9.224 9.260 ( 0.000 1.019 -2.142) 2.372 9.288 ( 0.000 -0.112 -2.715) 2.717 9.437 ( 0.000 5.268 -1.920) 5.607 9.465 ( 0.000 7.671 -1.202) 7.765 9.601 ( 0.000 0.319 -3.743) 3.757 9.618 ( 0.000 6.959 -5.322) 8.761 9.779 ( 0.000 -1.782 0.241) 1.799 9.788 ( 0.000 0.404 -0.894) 0.981 9.968 ( 0.000 0.628 11.835) 11.852 9.995 ( 0.000 3.093 9.179) 9.686 10.103 ( 0.000 1.768 -0.626) 1.876 10.207 ( 0.000 -1.854 -4.554) 4.918 10.244 ( 0.000 -0.009 -6.440) 6.440 10.341 ( 0.000 -0.986 -10.486) 10.532 10.455 ( 0.000 1.894 3.778) 4.226 10.517 ( 0.000 -1.034 -1.892) 2.156 10.861 ( 0.000 -1.275 6.163) 6.293 10.963 ( 0.000 -1.536 -2.494) 2.929 11.169 ( 0.000 1.749 0.695) 1.882 11.188 ( 0.000 0.903 -2.081) 2.269 11.318 ( 0.000 0.246 1.342) 1.365 11.356 ( 0.000 -3.182 -2.435) 4.007 11.543 ( 0.000 -3.044 11.883) 12.267 11.689 ( 0.000 -2.598 14.039) 14.277 11.729 ( 0.000 -2.722 -7.325) 7.814 11.747 ( 0.000 1.791 14.603) 14.712 11.883 ( 0.000 0.561 -6.854) 6.876 12.157 ( 0.000 -5.075 -20.853) 21.461 13.197 ( 0.000 -5.197 6.612) 8.410 13.357 ( 0.000 -9.257 -9.866) 13.529 13.625 ( 0.000 6.639 8.760) 10.991 13.815 ( 0.000 6.903 -9.746) 11.943 14.611 ( 0.000 -0.113 6.822) 6.823 14.755 ( 0.000 -4.283 -5.645) 7.086 14.880 ( 0.000 4.219 3.625) 5.562 14.889 ( 0.000 0.567 2.726) 2.785 14.952 ( 0.000 2.584 2.991) 3.953 14.995 ( 0.000 2.061 -5.342) 5.726 15.061 ( 0.000 7.672 -3.988) 8.647 15.100 ( 0.000 7.632 -5.426) 9.364 15.594 ( 0.000 -1.827 6.996) 7.231 15.613 ( 0.000 -3.710 5.642) 6.752 15.714 ( 0.000 -3.943 -2.390) 4.611 15.723 ( 0.000 -3.195 -3.227) 4.541 16.022 ( 0.000 -2.397 2.487) 3.454 16.050 ( 0.000 -0.312 -0.804) 0.863 16.136 ( 0.000 1.954 -2.366) 3.069 16.146 ( 0.000 -0.425 -2.324) 2.363 16.253 ( 0.000 -2.197 3.310) 3.973 16.306 ( 0.000 -2.322 -2.399) 3.339 16.447 ( 0.000 5.214 1.940) 5.563 16.489 ( 0.000 4.198 -1.871) 4.596 17.084 ( 0.000 -1.214 0.274) 1.245 17.090 ( 0.000 -0.010 0.851) 0.851 17.141 ( 0.000 0.665 1.074) 1.263 17.207 ( 0.000 0.883 -4.050) 4.145 17.370 ( 0.000 0.985 2.629) 2.808 17.393 ( 0.000 -0.025 -0.086) 0.089 17.408 ( 0.000 1.900 0.005) 1.900 17.442 ( 0.000 3.645 -3.448) 5.017 17.984 ( 0.000 0.983 0.681) 1.196 17.996 ( 0.000 0.283 -0.526) 0.598 18.199 ( 0.000 6.639 -0.598) 6.666 18.215 ( 0.000 5.332 -1.860) 5.647 18.662 ( 0.000 -4.078 4.316) 5.938 18.771 ( 0.000 -4.806 -6.132) 7.791 19.028 ( 0.000 6.583 7.280) 9.816 19.153 ( 0.000 4.594 -5.298) 7.012 20.392 ( 0.000 2.904 9.193) 9.641 20.575 ( 0.000 3.223 -8.706) 9.283 20.594 ( 0.000 0.319 13.113) 13.117 20.883 ( 0.000 -3.215 -15.023) 15.363 22.095 ( 0.000 -13.021 17.944) 22.170 22.461 ( 0.000 -12.833 -17.307) 21.545 22.511 ( 0.000 3.633 15.187) 15.616 22.776 ( 0.000 1.605 -11.924) 12.031 28.084 ( 0.000 0.216 2.830) 2.838 28.121 ( 0.000 -1.352 1.445) 1.979 28.154 ( 0.000 0.179 -2.245) 2.252 28.186 ( 0.000 -1.678 -3.287) 3.691 28.457 ( 0.000 1.711 1.570) 2.322 28.486 ( 0.000 1.854 -1.188) 2.202 28.656 ( 0.000 0.677 0.328) 0.753 28.661 ( 0.000 -1.190 -0.134) 1.197 29.010 ( 0.000 -0.234 8.883) 8.886 29.095 ( 0.000 -2.120 5.747) 6.126 29.119 ( 0.000 -2.891 -0.157) 2.895 29.225 ( 0.000 0.587 -7.231) 7.255 29.335 ( 0.000 3.687 9.711) 10.388 29.412 ( 0.000 -12.464 0.932) 12.499 29.597 ( 0.000 -13.187 -1.756) 13.303 29.656 ( 0.000 -2.085 -6.564) 6.887 29.845 ( 0.000 -4.554 2.343) 5.121 29.938 ( 0.000 -9.626 -5.641) 11.157 30.315 ( 0.000 -1.048 1.079) 1.504 30.334 ( 0.000 -1.640 -0.773) 1.813 30.531 ( 0.000 -0.887 4.668) 4.751 30.578 ( 0.000 1.831 2.773) 3.323 30.605 ( 0.000 5.620 -0.666) 5.659 30.625 ( 0.000 4.147 -4.650) 6.231 31.852 ( 0.000 -6.703 1.847) 6.953 31.897 ( 0.000 -7.364 -2.640) 7.823 32.260 ( 0.000 7.585 0.950) 7.644 32.286 ( 0.000 5.632 -0.668) 5.671 32.357 ( 0.000 10.392 -1.824) 10.550 32.387 ( 0.000 0.830 -2.845) 2.964 32.784 ( 0.000 5.826 2.224) 6.236 32.836 ( 0.000 4.587 -2.727) 5.336 ======================= Grid point 96 (35/45) ======================= q-point: ( 0.25 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.729 ( 15.931 9.434 24.109) 30.398 1.780 ( 11.666 11.460 23.249) 28.424 2.104 ( 1.658 4.481 -6.364) 7.958 2.182 ( 10.570 7.193 -12.776) 18.075 2.334 ( -4.310 2.622 3.000) 5.870 2.381 ( -6.911 6.407 8.096) 12.424 2.457 ( 2.429 3.754 -6.244) 7.679 2.566 ( -3.844 3.889 -0.047) 5.468 2.661 ( -1.119 4.115 1.993) 4.708 2.730 ( -2.238 0.309 -0.449) 2.303 2.829 ( 5.558 3.555 1.833) 6.847 2.930 ( 1.070 1.695 -2.500) 3.204 3.037 ( 1.508 -1.170 2.257) 2.956 3.087 ( 1.095 -0.901 -1.394) 1.988 3.135 ( -1.066 2.102 4.620) 5.187 3.236 ( -3.193 3.382 -3.650) 5.913 3.326 ( -1.548 0.346 3.075) 3.460 3.393 ( -0.429 1.194 -0.580) 1.395 3.446 ( -0.966 2.683 3.211) 4.294 3.478 ( 1.370 0.183 0.072) 1.384 3.557 ( 1.928 3.349 2.799) 4.771 3.626 ( 0.238 2.040 -2.340) 3.113 3.721 ( -3.058 2.804 6.990) 8.129 3.808 ( 0.816 2.246 4.549) 5.139 3.873 ( 1.315 2.323 8.803) 9.199 3.926 ( -2.146 0.847 7.628) 7.969 4.020 ( -3.171 -5.604 7.794) 10.110 4.100 ( -0.881 -0.146 2.536) 2.689 4.260 ( -14.700 -0.218 -1.774) 14.809 4.444 ( 3.633 -6.768 14.155) 16.105 4.547 ( -2.194 -0.250 -0.576) 2.282 4.614 ( 2.569 -7.099 -5.629) 9.418 4.690 ( 1.667 -4.952 -1.549) 5.450 4.773 ( -1.613 -1.122 -12.265) 12.421 4.808 ( -3.308 -2.593 -1.153) 4.359 4.883 ( -2.575 -4.184 -6.212) 7.921 4.951 ( 3.816 1.527 2.127) 4.628 5.052 ( -0.122 1.795 -5.053) 5.363 5.150 ( 2.998 0.588 -1.576) 3.438 5.175 ( 0.390 -1.033 -0.678) 1.296 5.273 ( 0.601 -5.889 1.904) 6.218 5.306 ( 0.052 -4.836 -1.506) 5.065 5.373 ( 3.066 -7.181 2.806) 8.297 5.435 ( 0.292 3.419 0.867) 3.539 5.600 ( 1.211 6.329 2.594) 6.946 5.688 ( 1.399 7.168 -2.087) 7.595 5.720 ( -4.104 1.017 -1.881) 4.628 5.815 ( -1.766 6.614 -6.071) 9.150 5.947 ( 0.853 -3.484 4.583) 5.819 5.978 ( 1.898 -1.007 2.128) 3.024 6.071 ( 0.779 -0.628 3.396) 3.541 6.205 ( -0.799 1.944 -8.227) 8.491 6.234 ( 0.393 -1.019 -4.341) 4.476 6.306 ( -3.191 -2.624 -7.553) 8.609 6.357 ( -0.758 1.397 -0.293) 1.617 6.442 ( -1.350 7.599 0.727) 7.752 6.497 ( -0.318 0.640 -4.161) 4.222 6.596 ( -2.739 -0.682 0.369) 2.846 6.683 ( -1.388 4.460 -6.268) 7.817 6.738 ( -3.517 0.233 -8.796) 9.476 6.848 ( 4.083 1.643 3.248) 5.470 6.984 ( 5.063 -2.806 -8.044) 9.910 7.097 ( -4.889 6.973 2.789) 8.961 7.209 ( -6.177 5.713 -8.079) 11.664 7.383 ( 2.549 -0.557 4.213) 4.956 7.458 ( 3.894 -0.621 -2.583) 4.714 7.551 ( -2.085 -0.331 0.323) 2.136 7.617 ( -4.172 -0.384 -4.584) 6.211 7.866 ( 2.101 -1.895 4.948) 5.700 7.942 ( 3.117 -3.814 -0.386) 4.941 7.995 ( 1.095 -1.469 2.236) 2.891 8.065 ( 3.680 -1.685 -2.372) 4.691 8.201 ( 1.362 -1.784 4.386) 4.927 8.247 ( 1.261 -1.726 -0.093) 2.140 8.330 ( -0.531 0.135 2.076) 2.147 8.368 ( -1.428 -0.148 -1.640) 2.180 8.665 ( 3.984 -3.704 3.610) 6.529 8.703 ( 2.883 -5.709 -0.525) 6.418 8.821 ( -1.928 -3.112 4.493) 5.795 8.853 ( -2.043 0.132 2.272) 3.058 8.938 ( 3.808 -1.188 2.011) 4.467 8.959 ( 2.777 -0.606 0.693) 2.926 9.095 ( 0.734 4.258 10.086) 10.972 9.235 ( 2.619 6.816 1.878) 7.539 9.266 ( 1.064 2.124 -0.781) 2.501 9.302 ( 1.276 0.635 -2.352) 2.750 9.395 ( -2.514 7.494 1.786) 8.103 9.489 ( 1.372 7.882 -3.831) 8.870 9.609 ( 1.983 1.669 -1.078) 2.808 9.662 ( 3.075 3.340 -5.963) 7.494 9.746 ( -3.094 1.303 1.896) 3.856 9.795 ( 0.072 0.862 -2.860) 2.988 9.927 ( -1.650 -0.038 8.109) 8.275 10.013 ( -0.548 2.129 10.394) 10.624 10.094 ( -0.882 -1.029 -4.587) 4.783 10.162 ( -3.691 -0.588 -2.155) 4.314 10.226 ( 1.468 -0.669 1.451) 2.170 10.396 ( 2.031 -2.511 -9.013) 9.574 10.420 ( -4.187 -1.481 4.067) 6.022 10.534 ( 2.968 -0.380 -9.475) 9.936 10.874 ( 0.900 0.226 5.513) 5.590 10.961 ( -0.665 -1.288 -2.372) 2.780 11.085 ( -6.921 1.510 0.055) 7.084 11.132 ( -1.504 1.381 -3.291) 3.874 11.372 ( 4.537 -0.242 4.814) 6.619 11.461 ( 6.627 -1.711 -2.687) 7.353 11.528 ( -1.823 -2.163 10.069) 10.459 11.664 ( -2.676 -2.037 5.281) 6.261 11.712 ( -1.019 -0.737 4.759) 4.922 11.761 ( 1.030 -1.259 10.804) 10.926 11.878 ( -0.348 -0.353 -6.473) 6.492 12.126 ( -2.263 -2.610 -17.190) 17.534 13.232 ( 2.680 -6.712 6.097) 9.456 13.384 ( 2.253 -9.431 -9.147) 13.330 13.631 ( 0.443 7.005 9.435) 11.760 13.827 ( 0.945 6.765 -9.622) 11.801 14.580 ( -2.340 -0.580 8.224) 8.570 14.761 ( 0.534 -3.812 -8.496) 9.328 14.866 ( -1.358 2.645 2.643) 3.978 14.884 ( -0.284 1.546 2.708) 3.131 14.926 ( -1.932 2.249 2.770) 4.057 15.006 ( 0.874 2.017 -5.222) 5.665 15.051 ( -0.860 7.234 -3.341) 8.014 15.104 ( 0.305 7.068 -5.725) 9.101 15.595 ( 0.062 -2.033 7.030) 7.318 15.616 ( 0.179 -2.636 5.919) 6.482 15.706 ( -0.360 -4.157 -2.352) 4.790 15.720 ( -0.460 -3.630 -3.353) 4.963 16.016 ( -0.516 -2.131 2.682) 3.464 16.054 ( 0.313 -1.245 1.896) 2.290 16.122 ( -0.851 -1.415 -4.281) 4.588 16.152 ( 0.350 -0.075 -3.416) 3.435 16.265 ( 0.734 -1.496 3.680) 4.040 16.328 ( 1.652 -0.869 -2.790) 3.357 16.462 ( 1.105 5.610 2.445) 6.219 16.509 ( 1.663 4.763 -1.694) 5.322 17.068 ( -1.047 -0.765 1.412) 1.917 17.098 ( 0.504 -0.696 -0.081) 0.863 17.132 ( -0.912 0.408 0.728) 1.236 17.200 ( -0.505 0.551 -4.113) 4.180 17.366 ( -0.265 -0.437 1.721) 1.795 17.399 ( 0.539 0.497 -1.039) 1.271 17.415 ( 0.454 1.909 0.720) 2.090 17.462 ( 1.430 4.816 -3.352) 6.039 17.998 ( 1.287 0.428 0.794) 1.572 18.022 ( 2.123 0.048 -1.531) 2.618 18.175 ( -1.959 6.131 0.472) 6.454 18.202 ( -1.235 5.654 -2.111) 6.160 18.677 ( 1.246 -4.585 4.801) 6.755 18.804 ( 2.610 -5.562 -7.589) 9.765 19.019 ( -0.696 7.257 7.576) 10.514 19.150 ( -0.238 5.527 -5.578) 7.856 20.416 ( 2.361 2.527 9.441) 10.054 20.558 ( -3.299 0.709 12.132) 12.592 20.602 ( 2.787 2.503 -8.499) 9.288 20.815 ( -6.068 -1.924 -12.322) 13.869 22.086 ( -0.653 -12.420 18.337) 22.157 22.463 ( 0.171 -8.155 -8.683) 11.913 22.493 ( -1.278 -0.187 6.604) 6.729 22.785 ( 0.531 1.343 -13.185) 13.264 28.082 ( -0.159 -0.897 2.505) 2.666 28.124 ( 0.361 -0.608 1.279) 1.461 28.146 ( -0.649 -0.775 -1.625) 1.914 28.192 ( 0.414 0.004 -3.164) 3.191 28.480 ( 2.281 1.087 1.775) 3.088 28.512 ( 2.429 1.557 -1.305) 3.166 28.624 ( -2.930 0.089 1.174) 3.158 28.639 ( -2.184 0.469 -0.487) 2.286 29.024 ( 1.294 -1.011 9.124) 9.270 29.094 ( -0.139 -2.285 5.591) 6.041 29.125 ( 0.397 -2.290 1.699) 2.879 29.215 ( -0.609 0.386 -5.294) 5.343 29.338 ( -0.724 -1.160 4.999) 5.183 29.407 ( 0.845 -7.140 2.207) 7.521 29.565 ( -3.608 -10.631 -3.502) 11.760 29.643 ( -0.604 -0.289 -7.275) 7.306 29.870 ( 2.932 -4.379 3.985) 6.607 29.969 ( 2.790 -8.530 -4.784) 10.171 30.179 ( -10.768 -1.011 1.571) 10.928 30.202 ( -9.358 -2.482 -0.389) 9.690 30.529 ( -0.104 -2.297 4.793) 5.316 30.576 ( -0.301 3.564 2.609) 4.427 30.616 ( 0.568 3.781 -2.138) 4.381 30.630 ( 0.203 4.820 -3.986) 6.258 31.978 ( 10.054 -5.861 3.418) 12.129 32.059 ( 11.847 -6.972 -4.184) 14.369 32.234 ( -2.163 5.412 2.424) 6.312 32.307 ( -0.500 6.034 -4.667) 7.644 32.362 ( 2.157 8.470 0.822) 8.778 32.408 ( 2.864 1.155 -2.891) 4.230 32.721 ( -5.966 5.672 2.600) 8.633 32.792 ( -4.049 3.792 -3.926) 6.796 ======================= Grid point 97 (36/45) ======================= q-point: (-0.50 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.964 ( 0.000 6.340 14.750) 16.055 2.023 ( -0.000 3.999 13.317) 13.905 2.063 ( 0.000 11.790 14.819) 18.937 2.166 ( 0.000 13.155 7.307) 15.048 2.293 ( 0.000 -2.171 -4.149) 4.683 2.395 ( 0.000 3.632 -9.575) 10.241 2.423 ( -0.000 -0.650 2.653) 2.731 2.534 ( 0.000 2.673 -4.759) 5.458 2.648 ( 0.000 3.534 -2.435) 4.291 2.715 ( -0.000 1.600 -8.416) 8.567 2.862 ( 0.000 8.508 0.861) 8.552 2.928 ( 0.000 4.818 -4.071) 6.307 3.057 ( -0.000 -1.704 2.038) 2.657 3.086 ( 0.000 0.288 -2.236) 2.254 3.163 ( 0.000 0.128 6.068) 6.069 3.235 ( 0.000 4.335 2.054) 4.797 3.297 ( 0.000 -0.658 5.304) 5.344 3.435 ( 0.000 1.740 6.552) 6.779 3.474 ( 0.000 0.345 -5.235) 5.246 3.508 ( 0.000 0.351 -1.118) 1.171 3.571 ( 0.000 5.660 6.313) 8.479 3.645 ( -0.000 3.005 -2.681) 4.027 3.656 ( 0.000 3.616 3.321) 4.910 3.717 ( 0.000 5.605 -1.008) 5.695 3.905 ( 0.000 -3.451 6.401) 7.271 3.947 ( 0.000 -1.366 4.967) 5.151 3.981 ( -0.000 -0.969 10.079) 10.126 3.998 ( 0.000 -2.187 0.895) 2.363 4.216 ( -0.000 0.237 10.085) 10.088 4.310 ( 0.000 4.859 17.244) 17.916 4.542 ( 0.000 -2.493 0.539) 2.551 4.604 ( 0.000 -2.002 -0.510) 2.066 4.700 ( 0.000 -3.745 -5.159) 6.375 4.771 ( 0.000 -7.030 -2.713) 7.535 4.838 ( 0.000 -4.674 -11.453) 12.370 4.870 ( 0.000 -9.639 -5.168) 10.937 5.026 ( -0.000 2.318 1.001) 2.525 5.074 ( 0.000 -2.532 5.925) 6.443 5.144 ( 0.000 4.527 -11.903) 12.735 5.175 ( 0.000 -4.148 -1.149) 4.304 5.287 ( 0.000 -5.152 4.471) 6.821 5.340 ( 0.000 -5.265 2.314) 5.751 5.407 ( 0.000 -0.470 -2.211) 2.261 5.415 ( 0.000 -4.796 -6.532) 8.104 5.639 ( 0.000 4.094 5.592) 6.930 5.641 ( -0.000 4.965 0.658) 5.009 5.704 ( 0.000 4.600 -3.037) 5.512 5.766 ( 0.000 8.101 -0.691) 8.130 5.955 ( 0.000 -2.885 0.996) 3.052 6.024 ( 0.000 -5.587 2.082) 5.962 6.099 ( 0.000 -0.584 6.980) 7.004 6.160 ( 0.000 -1.251 -14.310) 14.365 6.241 ( 0.000 -0.958 -2.952) 3.104 6.276 ( 0.000 0.112 -13.632) 13.633 6.344 ( 0.000 0.708 -0.277) 0.760 6.416 ( 0.000 5.819 -3.857) 6.981 6.531 ( -0.000 3.573 5.923) 6.917 6.542 ( 0.000 3.979 1.848) 4.387 6.655 ( 0.000 1.841 -4.848) 5.186 6.722 ( 0.000 4.858 -13.740) 14.574 6.922 ( 0.000 4.820 6.307) 7.937 6.985 ( 0.000 6.167 2.768) 6.759 7.081 ( 0.000 -1.481 -8.441) 8.570 7.109 ( 0.000 0.552 -9.404) 9.420 7.439 ( -0.000 -2.160 4.643) 5.121 7.472 ( 0.000 -0.851 0.929) 1.260 7.540 ( 0.000 1.199 -6.371) 6.483 7.558 ( -0.000 3.144 -5.682) 6.494 7.923 ( -0.000 -2.192 5.373) 5.803 7.947 ( 0.000 -1.791 8.705) 8.887 8.020 ( 0.000 -5.963 -3.296) 6.813 8.085 ( 0.000 -3.467 -5.388) 6.407 8.232 ( 0.000 -0.422 5.213) 5.230 8.275 ( 0.000 -1.290 5.449) 5.599 8.323 ( -0.698 0.442 -3.658) 3.750 8.323 ( 0.698 -1.996 0.156) 2.121 8.730 ( 0.000 -4.347 1.500) 4.599 8.762 ( -0.000 -7.344 -0.322) 7.351 8.777 ( 0.000 -2.155 6.984) 7.309 8.828 ( 0.000 -0.001 1.292) 1.292 8.976 ( 0.000 1.411 3.517) 3.789 9.008 ( 0.000 -2.616 0.392) 2.645 9.103 ( 0.000 5.966 9.277) 11.030 9.259 ( 0.000 3.425 -3.269) 4.735 9.264 ( 0.000 3.308 0.655) 3.373 9.320 ( 0.000 1.300 -2.898) 3.176 9.378 ( 0.000 10.854 4.723) 11.838 9.505 ( 0.000 8.773 -4.601) 9.906 9.660 ( -0.000 0.491 0.912) 1.036 9.677 ( 0.000 3.843 3.291) 5.060 9.720 ( 0.000 2.871 -5.421) 6.134 9.778 ( 0.000 3.299 -6.430) 7.227 9.919 ( 0.000 -1.598 7.661) 7.826 9.995 ( 0.000 0.735 9.257) 9.286 10.087 ( 0.000 -1.920 -6.349) 6.633 10.107 ( 0.000 -1.488 -1.028) 1.808 10.295 ( -0.000 -1.631 9.272) 9.414 10.320 ( 0.000 -1.466 3.456) 3.754 10.418 ( -0.000 -5.374 -8.084) 9.707 10.580 ( 0.000 -0.644 -16.629) 16.642 10.878 ( 0.000 1.257 3.665) 3.874 10.968 ( -0.000 -1.563 -4.603) 4.861 10.989 ( 0.000 2.504 6.423) 6.893 11.123 ( 0.000 2.032 -6.087) 6.418 11.454 ( -0.000 -0.959 8.613) 8.667 11.472 ( 0.000 0.007 6.848) 6.848 11.567 ( 0.000 -2.630 0.650) 2.709 11.597 ( 0.000 -0.325 -3.128) 3.145 11.702 ( 0.000 -1.442 7.785) 7.918 11.774 ( 0.000 -1.476 12.730) 12.815 11.874 ( 0.000 -1.907 -6.442) 6.718 12.100 ( 0.000 -0.419 -14.216) 14.222 13.264 ( 0.000 -7.711 6.159) 9.869 13.415 ( 0.000 -9.642 -8.885) 13.111 13.635 ( 0.000 7.323 10.670) 12.941 13.839 ( 0.000 6.694 -9.504) 11.625 14.552 ( 0.000 -1.209 8.896) 8.978 14.770 ( 0.000 -3.545 -12.428) 12.923 14.844 ( 0.000 1.737 3.190) 3.632 14.885 ( 0.000 3.285 1.513) 3.616 14.900 ( 0.000 0.788 4.527) 4.595 15.020 ( 0.000 0.662 -7.405) 7.435 15.037 ( 0.000 8.189 -1.006) 8.250 15.108 ( 0.000 6.562 -6.034) 8.915 15.596 ( 0.000 -2.098 7.154) 7.455 15.618 ( 0.000 -1.762 6.110) 6.359 15.705 ( 0.000 -4.981 -1.857) 5.316 15.712 ( 0.000 -3.439 -3.850) 5.162 16.009 ( 0.000 -2.369 3.043) 3.856 16.057 ( 0.000 -0.792 4.620) 4.688 16.113 ( 0.000 -4.067 -6.673) 7.815 16.156 ( 0.000 -0.322 -4.284) 4.296 16.272 ( 0.000 -0.927 4.153) 4.255 16.348 ( 0.000 -0.133 -3.542) 3.545 16.475 ( 0.000 6.127 3.459) 7.036 16.530 ( 0.000 5.226 -1.569) 5.456 17.055 ( 0.000 -0.794 2.047) 2.196 17.112 ( -0.000 1.119 3.508) 3.682 17.112 ( 0.000 -1.929 -3.487) 3.985 17.194 ( 0.000 0.243 -4.307) 4.313 17.363 ( 0.000 -1.158 1.462) 1.865 17.407 ( 0.000 0.214 -3.086) 3.094 17.419 ( 0.000 2.564 2.448) 3.545 17.479 ( 0.000 5.527 -3.672) 6.635 18.017 ( 0.000 -0.229 0.675) 0.712 18.051 ( 0.000 -0.713 -2.664) 2.758 18.149 ( 0.000 6.060 1.541) 6.252 18.183 ( 0.000 6.255 -2.052) 6.583 18.694 ( 0.000 -5.244 5.266) 7.432 18.837 ( 0.000 -6.591 -8.933) 11.101 19.010 ( 0.000 8.101 7.963) 11.359 19.147 ( 0.000 6.662 -5.881) 8.886 20.475 ( -0.000 1.569 10.590) 10.706 20.487 ( 0.000 1.684 10.344) 10.480 20.684 ( -0.000 0.797 -8.912) 8.947 20.692 ( 0.000 0.289 -9.373) 9.378 22.079 ( 0.000 -11.883 18.591) 22.064 22.466 ( 0.000 5.549 18.145) 18.975 22.478 ( -0.000 -13.275 -20.317) 24.269 22.790 ( 0.000 1.217 -14.249) 14.301 28.080 ( 0.000 -1.759 2.260) 2.864 28.133 ( 0.000 0.557 3.032) 3.082 28.134 ( -0.000 -1.772 -2.996) 3.481 28.197 ( 0.000 1.029 -3.062) 3.231 28.526 ( 0.000 -0.741 1.929) 2.067 28.560 ( 0.000 0.413 -1.638) 1.689 28.570 ( -0.000 1.684 2.082) 2.678 28.595 ( 0.000 2.030 -0.666) 2.137 29.046 ( 0.000 -2.593 10.057) 10.386 29.088 ( 0.000 -2.067 4.624) 5.065 29.127 ( 0.000 -0.728 4.997) 5.050 29.212 ( 0.000 0.045 -5.570) 5.570 29.317 ( 0.000 -6.494 2.060) 6.813 29.453 ( 0.000 1.295 8.339) 8.439 29.489 ( -0.000 -9.545 -10.446) 14.150 29.639 ( 0.000 0.118 -8.770) 8.771 29.963 ( -0.000 -3.694 4.654) 5.942 29.984 ( 0.000 -2.264 4.438) 4.982 30.049 ( -0.000 -6.042 -3.691) 7.080 30.066 ( 0.000 -5.783 -2.955) 6.494 30.528 ( 0.000 -3.122 4.853) 5.771 30.572 ( 0.000 4.124 3.131) 5.177 30.622 ( 0.000 1.572 -4.214) 4.498 30.631 ( 0.000 6.835 -2.811) 7.391 32.117 ( 0.000 -3.682 3.885) 5.352 32.184 ( 0.000 3.577 3.579) 5.060 32.229 ( 0.000 -2.417 -6.922) 7.331 32.259 ( 0.000 2.194 -3.338) 3.994 32.401 ( 0.000 4.909 3.200) 5.859 32.494 ( 0.000 1.160 -5.501) 5.622 32.610 ( 0.000 6.292 5.031) 8.057 32.730 ( 0.000 3.635 -6.291) 7.266 ======================= Grid point 100 (37/45) ======================= q-point: ( 0.00 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.782 ( 0.000 11.617 14.932) 18.918 1.903 ( 0.000 10.969 11.311) 15.756 2.154 ( 0.000 6.878 -4.199) 8.058 2.250 ( 0.000 5.318 -1.507) 5.527 2.421 ( 0.000 2.111 6.172) 6.523 2.452 ( 0.000 2.187 -2.793) 3.547 2.631 ( 0.000 -2.789 1.132) 3.010 2.661 ( 0.000 6.558 5.348) 8.462 2.718 ( 0.000 6.973 -1.601) 7.155 2.770 ( 0.000 1.096 -6.965) 7.050 2.916 ( 0.000 0.739 1.802) 1.947 2.969 ( 0.000 5.416 -1.926) 5.748 3.004 ( 0.000 9.893 4.957) 11.065 3.125 ( 0.000 6.485 -2.011) 6.790 3.186 ( 0.000 -1.228 1.827) 2.201 3.265 ( 0.000 -4.859 -3.984) 6.284 3.318 ( 0.000 -3.566 4.729) 5.922 3.409 ( 0.000 -2.285 -4.941) 5.444 3.511 ( 0.000 -2.240 5.918) 6.328 3.545 ( 0.000 -1.055 0.916) 1.397 3.569 ( 0.000 3.269 6.472) 7.251 3.656 ( 0.000 0.775 -0.775) 1.096 3.739 ( 0.000 -0.701 10.606) 10.629 3.804 ( 0.000 4.895 2.729) 5.604 3.862 ( 0.000 -1.791 7.174) 7.394 3.930 ( 0.000 -6.177 -2.509) 6.667 3.955 ( 0.000 -1.698 3.993) 4.339 4.070 ( 0.000 -7.466 -2.045) 7.741 4.308 ( 0.000 8.872 15.420) 17.790 4.425 ( 0.000 -1.242 2.759) 3.025 4.455 ( 0.000 -2.861 -12.644) 12.963 4.620 ( 0.000 3.359 -4.867) 5.914 4.664 ( 0.000 4.290 3.842) 5.759 4.711 ( 0.000 -1.363 3.169) 3.450 4.854 ( 0.000 -3.411 1.442) 3.703 4.893 ( 0.000 0.108 0.410) 0.424 4.920 ( 0.000 -5.066 1.723) 5.351 5.063 ( 0.000 -2.452 -0.407) 2.486 5.072 ( 0.000 2.551 -0.501) 2.600 5.079 ( 0.000 -4.883 3.396) 5.948 5.180 ( 0.000 -1.566 -5.086) 5.321 5.236 ( 0.000 -1.090 -4.304) 4.440 5.403 ( 0.000 8.029 -7.526) 11.005 5.499 ( 0.000 0.374 -4.553) 4.568 5.663 ( 0.000 -1.488 -5.331) 5.535 5.708 ( 0.000 0.617 -4.937) 4.975 5.858 ( 0.000 0.867 9.114) 9.155 5.902 ( 0.000 7.068 4.501) 8.379 5.957 ( 0.000 5.776 2.991) 6.505 6.031 ( 0.000 3.815 -2.495) 4.558 6.115 ( 0.000 2.054 -4.975) 5.382 6.128 ( 0.000 -1.221 -1.304) 1.787 6.284 ( 0.000 3.232 -6.924) 7.641 6.336 ( 0.000 2.494 -1.984) 3.187 6.375 ( 0.000 -2.676 -2.703) 3.803 6.463 ( 0.000 -3.309 -2.623) 4.223 6.611 ( 0.000 1.090 5.273) 5.385 6.618 ( 0.000 3.198 -0.169) 3.203 6.713 ( 0.000 -0.203 0.996) 1.017 6.759 ( 0.000 0.491 -5.439) 5.461 6.858 ( 0.000 3.711 -6.998) 7.921 6.896 ( 0.000 5.190 -8.965) 10.359 7.306 ( 0.000 2.680 2.681) 3.791 7.340 ( 0.000 -0.771 3.074) 3.169 7.362 ( 0.000 0.364 3.213) 3.233 7.408 ( 0.000 0.814 -4.254) 4.331 7.581 ( 0.000 2.038 -2.821) 3.480 7.584 ( 0.000 -4.377 -2.472) 5.026 7.810 ( 0.000 -3.893 6.281) 7.389 7.864 ( 0.000 -1.423 -1.740) 2.248 7.903 ( 0.000 -6.420 2.178) 6.780 7.943 ( 0.000 -1.588 0.736) 1.750 8.167 ( 0.000 -3.087 3.708) 4.825 8.204 ( 0.000 -1.430 -0.089) 1.432 8.330 ( 0.000 -5.290 -0.644) 5.329 8.347 ( 0.000 -0.276 -0.220) 0.353 8.537 ( 0.000 -2.470 -1.297) 2.789 8.546 ( 0.000 -6.998 -4.771) 8.470 8.816 ( 0.000 -1.752 3.536) 3.947 8.850 ( 0.000 -2.796 4.138) 4.994 8.911 ( 0.000 1.182 -2.615) 2.870 8.911 ( 0.000 -0.308 1.663) 1.691 9.134 ( 0.000 1.189 7.110) 7.209 9.182 ( 0.000 -1.569 1.523) 2.187 9.336 ( 0.000 2.527 2.685) 3.687 9.346 ( 0.000 4.351 0.539) 4.385 9.552 ( 0.000 6.499 -1.589) 6.690 9.559 ( 0.000 3.092 0.754) 3.183 9.630 ( 0.000 1.438 1.081) 1.799 9.699 ( 0.000 -1.127 -1.927) 2.232 9.850 ( 0.000 9.263 -1.889) 9.453 9.863 ( 0.000 7.224 -2.305) 7.583 10.004 ( 0.000 3.414 7.963) 8.664 10.064 ( 0.000 3.577 6.464) 7.388 10.160 ( 0.000 4.070 -2.098) 4.579 10.179 ( 0.000 -0.379 -4.364) 4.380 10.258 ( 0.000 1.653 -2.944) 3.376 10.331 ( 0.000 0.146 -7.072) 7.074 10.475 ( 0.000 0.268 1.342) 1.369 10.483 ( 0.000 -1.747 1.155) 2.095 10.858 ( 0.000 1.230 3.509) 3.719 10.935 ( 0.000 -1.273 -3.113) 3.363 11.188 ( 0.000 -0.638 0.577) 0.860 11.198 ( 0.000 -0.814 -0.683) 1.062 11.279 ( 0.000 -2.683 -0.697) 2.772 11.298 ( 0.000 -0.237 -1.904) 1.919 11.502 ( 0.000 -3.220 11.289) 11.740 11.596 ( 0.000 -6.081 13.878) 15.152 11.681 ( 0.000 -3.763 -7.558) 8.443 11.794 ( 0.000 3.143 9.283) 9.801 11.896 ( 0.000 -2.070 -8.849) 9.087 11.972 ( 0.000 -10.432 -11.706) 15.680 13.137 ( 0.000 -0.256 2.065) 2.081 13.235 ( 0.000 -2.849 -8.131) 8.616 13.742 ( 0.000 4.670 8.565) 9.755 13.881 ( 0.000 0.394 -4.790) 4.806 14.675 ( 0.000 5.361 0.689) 5.405 14.715 ( 0.000 0.479 -2.541) 2.586 14.900 ( 0.000 0.683 2.989) 3.066 14.925 ( 0.000 1.411 1.516) 2.070 14.992 ( 0.000 1.595 -0.751) 1.763 15.028 ( 0.000 1.270 -4.854) 5.018 15.227 ( 0.000 6.956 -0.390) 6.966 15.250 ( 0.000 6.495 -1.558) 6.679 15.536 ( 0.000 -3.520 3.587) 5.026 15.559 ( 0.000 -1.408 3.818) 4.069 15.619 ( 0.000 -4.848 -2.270) 5.353 15.637 ( 0.000 -4.663 -1.274) 4.834 16.009 ( 0.000 0.774 2.602) 2.715 16.051 ( 0.000 0.247 -0.630) 0.677 16.129 ( 0.000 -1.036 0.050) 1.037 16.160 ( 0.000 0.157 -1.684) 1.691 16.229 ( 0.000 -0.093 1.518) 1.520 16.280 ( 0.000 -0.603 -3.013) 3.073 16.537 ( 0.000 3.818 2.171) 4.392 16.563 ( 0.000 3.165 -0.036) 3.166 17.071 ( 0.000 -0.236 0.677) 0.717 17.095 ( 0.000 0.485 -1.399) 1.481 17.144 ( 0.000 -0.325 2.155) 2.179 17.205 ( 0.000 -0.777 -3.240) 3.332 17.379 ( 0.000 0.096 1.763) 1.766 17.389 ( 0.000 -0.393 0.369) 0.539 17.469 ( 0.000 3.640 1.224) 3.840 17.521 ( 0.000 3.627 -3.721) 5.196 17.997 ( 0.000 -0.296 -0.643) 0.707 18.001 ( 0.000 0.486 -0.653) 0.814 18.336 ( 0.000 6.205 -0.976) 6.281 18.342 ( 0.000 6.833 -1.818) 7.071 18.621 ( 0.000 -0.121 1.120) 1.127 18.695 ( 0.000 -2.521 -5.966) 6.476 19.138 ( 0.000 4.375 6.697) 7.999 19.227 ( 0.000 2.550 -2.256) 3.405 20.471 ( 0.000 4.852 9.346) 10.530 20.607 ( 0.000 1.218 10.881) 10.949 20.649 ( 0.000 3.569 -7.849) 8.622 20.809 ( 0.000 -3.734 -7.448) 8.332 21.870 ( 0.000 -8.996 12.211) 15.167 22.196 ( 0.000 -13.350 -18.292) 22.646 22.550 ( 0.000 0.976 13.065) 13.102 22.759 ( 0.000 -2.885 -7.877) 8.388 28.082 ( 0.000 -0.555 2.231) 2.299 28.090 ( 0.000 -1.591 1.414) 2.129 28.143 ( 0.000 -1.386 -3.282) 3.563 28.145 ( 0.000 -2.284 -3.478) 4.161 28.508 ( 0.000 3.566 1.956) 4.068 28.543 ( 0.000 3.843 -1.398) 4.090 28.659 ( 0.000 1.355 2.124) 2.520 28.681 ( 0.000 1.847 -0.013) 1.847 28.976 ( 0.000 -3.141 8.097) 8.685 29.051 ( 0.000 -4.523 4.273) 6.222 29.080 ( 0.000 0.241 4.680) 4.686 29.144 ( 0.000 -8.157 -1.734) 8.340 29.228 ( 0.000 -4.807 -5.928) 7.632 29.238 ( 0.000 -11.838 -3.532) 12.354 29.510 ( 0.000 3.722 8.650) 9.417 29.659 ( 0.000 0.916 -4.065) 4.167 29.780 ( 0.000 -5.157 -1.427) 5.351 29.794 ( 0.000 0.680 -5.007) 5.053 30.287 ( 0.000 -2.757 3.391) 4.370 30.314 ( 0.000 -0.573 -0.296) 0.645 30.409 ( 0.000 -7.599 7.076) 10.383 30.580 ( 0.000 -6.228 -8.507) 10.543 30.672 ( 0.000 5.583 3.993) 6.864 30.739 ( 0.000 5.313 -3.291) 6.250 31.715 ( 0.000 -6.280 1.019) 6.362 31.752 ( 0.000 -6.728 -2.522) 7.186 32.312 ( 0.000 -2.643 1.769) 3.180 32.327 ( 0.000 -1.230 -0.997) 1.583 32.519 ( 0.000 11.707 2.710) 12.017 32.611 ( 0.000 13.137 -5.759) 14.344 32.917 ( 0.000 6.736 -0.132) 6.737 32.927 ( 0.000 4.356 -0.997) 4.468 ======================= Grid point 101 (38/45) ======================= q-point: ( 0.25 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.926 ( 11.922 7.267 12.655) 18.844 1.985 ( 6.987 8.946 7.614) 13.668 2.196 ( 1.211 5.017 0.185) 5.165 2.292 ( 5.843 3.504 -1.687) 7.019 2.419 ( -0.776 5.768 1.537) 6.020 2.481 ( 1.563 0.483 0.372) 1.678 2.545 ( -6.809 5.109 4.824) 9.784 2.634 ( -4.525 6.049 -1.828) 7.772 2.684 ( -1.500 0.632 2.721) 3.170 2.803 ( 2.542 5.787 -9.665) 11.548 2.927 ( 1.137 0.610 3.452) 3.685 2.981 ( 2.280 5.245 -0.360) 5.730 3.048 ( 0.211 1.430 4.645) 4.865 3.127 ( 0.735 1.983 3.835) 4.379 3.181 ( -0.489 1.698 -2.556) 3.108 3.257 ( 2.635 -0.917 -3.793) 4.709 3.355 ( 0.120 1.517 2.981) 3.347 3.401 ( 3.041 1.523 2.016) 3.953 3.476 ( -1.034 0.339 3.332) 3.505 3.546 ( 0.628 1.778 -3.350) 3.844 3.578 ( 0.833 0.737 4.470) 4.606 3.652 ( 0.531 0.927 -0.046) 1.069 3.751 ( 0.524 -0.059 8.615) 8.631 3.835 ( 0.817 -0.655 4.047) 4.180 3.873 ( -1.526 -1.868 0.181) 2.419 3.905 ( 0.037 0.435 2.898) 2.930 3.951 ( -0.540 -1.697 5.901) 6.164 4.086 ( -0.646 -2.971 -0.505) 3.082 4.264 ( -11.931 -0.549 8.841) 14.860 4.371 ( 3.827 -2.366 4.717) 6.519 4.477 ( 1.540 0.625 -1.889) 2.516 4.564 ( -3.919 -2.700 -2.224) 5.253 4.640 ( 1.531 -0.944 0.978) 2.047 4.730 ( -4.916 -4.641 -8.457) 10.827 4.795 ( -0.897 0.360 0.498) 1.087 4.847 ( -4.926 5.598 -0.335) 7.464 5.002 ( 3.121 4.145 -1.405) 5.376 5.078 ( -1.571 -3.340 7.198) 8.089 5.100 ( 4.598 -2.986 2.973) 6.237 5.137 ( 2.846 -4.520 -4.231) 6.814 5.159 ( 4.112 1.180 0.431) 4.300 5.208 ( -1.795 -3.364 -0.533) 3.850 5.333 ( -1.270 5.395 -8.152) 9.857 5.483 ( -4.052 -1.330 -8.910) 9.878 5.704 ( 1.139 -0.015 0.227) 1.161 5.726 ( -0.826 0.625 1.428) 1.764 5.802 ( -6.457 6.055 6.100) 10.751 5.853 ( 1.888 -0.435 1.717) 2.588 5.914 ( -4.478 -0.817 1.857) 4.916 6.032 ( -1.416 4.206 1.757) 4.773 6.118 ( 1.200 3.278 1.426) 3.770 6.199 ( -2.517 -0.419 -10.641) 10.942 6.257 ( 0.713 2.232 -7.100) 7.477 6.290 ( 2.355 2.823 -8.056) 8.855 6.378 ( -0.374 -1.517 1.134) 1.931 6.480 ( 0.976 0.224 -0.616) 1.176 6.569 ( -0.234 4.104 1.483) 4.370 6.643 ( 0.217 5.689 1.664) 5.931 6.725 ( 0.060 0.768 -3.233) 3.323 6.783 ( -0.993 3.803 -9.878) 10.632 6.876 ( 6.788 1.064 -0.674) 6.904 6.964 ( 4.257 0.877 -6.385) 7.724 7.206 ( -7.993 3.566 4.075) 9.655 7.280 ( -6.266 0.462 -3.430) 7.158 7.384 ( 1.840 0.152 3.552) 4.004 7.432 ( 0.746 -0.782 -0.897) 1.405 7.515 ( -1.913 -2.768 0.041) 3.365 7.608 ( 0.202 -1.049 -6.175) 6.266 7.828 ( 2.405 -3.722 4.318) 6.187 7.884 ( 1.886 -0.967 -2.306) 3.132 7.958 ( 1.314 -3.159 4.001) 5.264 8.009 ( 3.811 -3.171 0.673) 5.003 8.158 ( -0.120 -3.569 4.298) 5.588 8.188 ( 0.192 -2.556 2.097) 3.312 8.327 ( -0.310 -3.890 -1.028) 4.036 8.337 ( -1.318 -0.214 -1.035) 1.690 8.567 ( 2.801 -6.055 -2.778) 7.227 8.585 ( 3.165 -4.875 -3.563) 6.818 8.775 ( -2.109 -1.732 5.627) 6.254 8.844 ( -1.392 -1.705 -0.070) 2.202 8.947 ( 3.248 0.424 1.968) 3.821 8.962 ( 3.469 1.004 -1.005) 3.748 9.137 ( 1.828 0.674 7.354) 7.608 9.253 ( 4.180 -1.256 -2.812) 5.192 9.321 ( -1.261 1.737 3.136) 3.800 9.362 ( 0.311 3.278 0.136) 3.296 9.556 ( 0.732 5.145 5.040) 7.239 9.597 ( 2.569 5.345 -0.555) 5.957 9.645 ( 2.546 2.310 1.009) 3.582 9.713 ( 2.050 -0.308 -1.756) 2.717 9.827 ( -0.967 6.156 0.872) 6.292 9.885 ( 0.421 8.527 -3.567) 9.253 9.966 ( -2.307 3.743 2.755) 5.189 10.044 ( -2.936 1.678 2.430) 4.164 10.126 ( -2.151 4.306 -1.101) 4.938 10.175 ( -5.216 2.278 -2.762) 6.327 10.222 ( 2.333 0.807 4.464) 5.101 10.359 ( -0.300 -1.267 -5.727) 5.873 10.395 ( -5.396 -0.242 3.612) 6.498 10.498 ( 1.872 -2.587 -7.293) 7.962 10.889 ( 2.720 1.286 3.687) 4.759 10.958 ( 1.228 0.587 -2.374) 2.737 11.086 ( -6.413 -0.755 0.587) 6.484 11.138 ( -3.320 -0.405 -4.199) 5.368 11.342 ( 5.267 -1.644 3.895) 6.754 11.409 ( 6.128 -3.195 -0.697) 6.946 11.498 ( -0.933 -2.148 8.131) 8.462 11.595 ( -0.464 -5.781 8.717) 10.469 11.672 ( -0.452 -4.464 -1.737) 4.811 11.769 ( -2.207 2.988 9.651) 10.341 11.899 ( 0.185 -0.037 -7.277) 7.279 11.963 ( -0.622 -11.593 -12.472) 17.039 13.154 ( 1.388 -0.941 2.688) 3.168 13.264 ( 2.360 -2.509 -8.457) 9.131 13.739 ( -0.346 3.796 9.649) 10.374 13.895 ( 1.164 0.995 -5.528) 5.736 14.656 ( -1.462 6.384 1.702) 6.767 14.727 ( 0.984 0.798 -4.700) 4.867 14.881 ( -2.125 0.302 2.724) 3.468 14.913 ( -0.243 1.224 2.729) 3.001 14.966 ( -2.133 1.631 -0.831) 2.811 15.033 ( 0.312 1.038 -5.722) 5.824 15.212 ( -1.129 6.955 0.677) 7.078 15.241 ( -0.659 5.897 -1.591) 6.143 15.543 ( 0.593 -3.224 3.726) 4.962 15.561 ( 0.086 -1.985 3.809) 4.296 15.606 ( -0.892 -5.052 -1.032) 5.232 15.638 ( -0.011 -3.946 -2.443) 4.641 16.001 ( -0.717 0.384 1.272) 1.510 16.038 ( -0.524 -0.438 0.047) 0.685 16.089 ( -2.878 -1.400 -0.540) 3.246 16.153 ( -0.370 0.092 -3.257) 3.279 16.251 ( 1.938 -0.185 4.673) 5.062 16.336 ( 3.361 1.068 -3.943) 5.290 16.553 ( 1.210 3.580 2.632) 4.605 16.584 ( 1.685 2.864 0.010) 3.323 17.059 ( -0.888 -0.150 0.927) 1.293 17.090 ( -0.309 0.008 -1.863) 1.888 17.136 ( -0.792 -0.086 2.268) 2.404 17.196 ( -0.737 -0.628 -3.085) 3.233 17.353 ( -1.278 -0.774 1.880) 2.402 17.399 ( 0.242 -0.383 -2.465) 2.507 17.475 ( 0.817 3.482 3.705) 5.150 17.556 ( 2.253 4.047 -3.961) 6.095 18.007 ( 1.007 0.081 -0.607) 1.179 18.023 ( 1.695 0.084 -2.000) 2.623 18.305 ( -2.439 6.359 0.431) 6.825 18.328 ( -1.130 6.388 -1.841) 6.744 18.630 ( 0.719 -0.325 1.679) 1.855 18.720 ( 1.865 -2.724 -7.105) 7.834 19.139 ( 0.042 4.615 6.954) 8.346 19.232 ( 0.448 2.558 -2.462) 3.579 20.486 ( 1.485 4.349 9.315) 10.387 20.582 ( -2.359 1.803 10.382) 10.799 20.659 ( 1.145 2.671 -7.338) 7.892 20.772 ( -3.268 -1.981 -6.775) 7.778 21.870 ( -0.026 -8.820 12.252) 15.096 22.201 ( 0.378 -13.510 -18.823) 23.172 22.542 ( -0.581 1.541 13.465) 13.566 22.762 ( 0.229 -3.069 -8.396) 8.942 28.057 ( -1.099 -1.474 1.550) 2.404 28.105 ( -0.729 -1.711 -2.361) 3.005 28.122 ( 0.673 -1.173 1.336) 1.901 28.180 ( 1.516 -1.362 -3.537) 4.082 28.519 ( 0.997 3.004 2.468) 4.013 28.561 ( 1.655 3.412 -1.697) 4.155 28.642 ( -1.513 2.119 2.271) 3.455 28.668 ( -1.180 2.325 -0.361) 2.632 28.979 ( 0.279 -3.379 8.499) 9.151 29.038 ( -0.969 -4.143 5.974) 7.334 29.091 ( 0.815 -1.933 0.968) 2.310 29.149 ( 0.125 -6.257 -2.279) 6.661 29.198 ( -1.318 -7.387 -3.050) 8.100 29.271 ( 1.722 -8.570 -5.244) 10.193 29.502 ( -0.609 2.951 8.378) 8.903 29.657 ( -0.315 1.661 -6.110) 6.339 29.805 ( 3.871 -2.290 0.712) 4.554 29.850 ( 4.563 -1.810 -3.701) 6.148 30.152 ( -11.067 -1.886 2.754) 11.560 30.178 ( -10.695 -0.173 -0.295) 10.700 30.408 ( -0.326 -7.940 7.194) 10.720 30.577 ( -0.199 -6.118 -8.675) 10.618 30.675 ( -0.003 5.445 4.329) 6.956 30.750 ( 0.747 5.412 -3.531) 6.505 31.849 ( 10.968 -6.205 2.194) 12.791 31.905 ( 12.321 -7.526 -3.057) 14.758 32.276 ( -3.413 -1.766 2.876) 4.800 32.316 ( -2.126 -2.489 -1.419) 3.568 32.550 ( 3.480 11.131 1.567) 11.767 32.620 ( 1.381 13.248 -4.924) 14.201 32.846 ( -6.386 6.061 0.393) 8.813 32.873 ( -5.048 5.008 -2.056) 7.402 ======================= Grid point 102 (39/45) ======================= q-point: (-0.50 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.058 ( 0.000 -0.639 5.815) 5.850 2.106 ( 0.000 5.782 0.090) 5.782 2.275 ( 0.000 6.912 11.377) 13.312 2.329 ( 0.000 6.103 4.783) 7.754 2.356 ( 0.000 -0.614 4.384) 4.427 2.470 ( -0.000 8.810 5.445) 10.357 2.483 ( 0.000 5.127 -6.313) 8.133 2.584 ( 0.000 5.790 -3.770) 6.909 2.657 ( 0.000 1.230 3.717) 3.916 2.843 ( -0.000 6.966 -11.859) 13.754 2.933 ( 0.000 -0.320 2.417) 2.438 2.977 ( 0.000 -0.056 -2.032) 2.033 3.095 ( 0.000 6.549 1.549) 6.729 3.115 ( 0.000 -1.742 11.226) 11.361 3.166 ( 0.000 3.212 -4.624) 5.630 3.295 ( 0.000 -2.254 -6.457) 6.839 3.394 ( 0.000 9.759 9.732) 13.782 3.434 ( 0.000 -2.152 5.144) 5.576 3.491 ( 0.000 -2.098 -0.147) 2.103 3.572 ( 0.000 7.212 -4.519) 8.511 3.639 ( -0.000 -2.915 10.755) 11.143 3.712 ( 0.000 2.884 1.788) 3.393 3.735 ( -0.000 10.951 3.756) 11.578 3.811 ( 0.000 0.500 -6.898) 6.916 3.832 ( 0.000 -2.893 3.414) 4.475 3.911 ( -0.000 -2.646 6.207) 6.748 3.932 ( 0.000 -2.368 -4.738) 5.297 3.953 ( 0.000 -0.393 5.704) 5.718 4.164 ( 0.000 -7.803 8.530) 11.561 4.393 ( 0.000 -1.436 9.268) 9.379 4.540 ( -0.000 -5.768 -10.552) 12.026 4.541 ( 0.000 6.165 1.022) 6.249 4.611 ( 0.000 -8.033 4.759) 9.337 4.729 ( 0.000 -3.451 -6.010) 6.930 4.729 ( -0.000 3.713 0.610) 3.763 4.800 ( 0.000 3.877 -4.917) 6.262 4.974 ( 0.000 -3.031 8.691) 9.204 5.088 ( -0.000 3.979 2.809) 4.871 5.119 ( 0.000 0.470 -2.599) 2.641 5.167 ( 0.000 -6.199 2.264) 6.599 5.263 ( 0.000 0.624 -7.937) 7.962 5.288 ( -0.000 -3.409 -8.275) 8.950 5.303 ( 0.000 1.975 2.378) 3.092 5.389 ( 0.000 -0.916 -5.529) 5.604 5.698 ( -0.094 0.708 1.637) 1.786 5.698 ( 0.094 3.328 12.325) 12.767 5.741 ( 0.000 -0.167 -2.329) 2.335 5.823 ( 0.000 -2.231 2.656) 3.468 5.914 ( 0.000 -0.835 -6.562) 6.615 6.032 ( 0.000 3.050 5.665) 6.434 6.066 ( -0.000 -1.947 6.415) 6.704 6.197 ( 0.000 -3.427 -4.727) 5.838 6.215 ( 0.000 8.300 -14.717) 16.896 6.361 ( 0.000 0.264 3.490) 3.500 6.425 ( 0.000 12.883 -15.788) 20.377 6.463 ( 0.000 -2.645 -3.050) 4.038 6.590 ( 0.000 2.941 0.613) 3.004 6.632 ( 0.000 7.431 5.406) 9.189 6.711 ( 0.000 3.755 -0.818) 3.843 6.782 ( 0.000 0.481 -12.352) 12.362 6.997 ( 0.000 3.075 3.874) 4.946 7.039 ( 0.000 -1.483 1.353) 2.008 7.115 ( -0.000 4.352 -6.206) 7.579 7.126 ( 0.000 0.482 -7.217) 7.233 7.405 ( 0.000 -0.145 9.615) 9.616 7.436 ( 0.000 -2.799 1.501) 3.176 7.512 ( 0.000 -3.573 -5.071) 6.203 7.603 ( 0.000 0.713 -8.287) 8.318 7.862 ( 0.000 -6.537 3.559) 7.443 7.925 ( -0.000 -2.552 -2.875) 3.844 7.943 ( 0.000 1.606 5.668) 5.891 8.025 ( 0.000 -1.962 -2.584) 3.245 8.166 ( 0.000 -8.259 8.238) 11.665 8.231 ( 0.000 0.117 5.353) 5.354 8.292 ( 0.000 -1.822 -1.071) 2.113 8.326 ( 0.000 -0.835 -2.717) 2.842 8.601 ( 0.000 -7.242 -3.044) 7.856 8.641 ( 0.000 -5.600 -5.492) 7.844 8.750 ( 0.000 -0.903 6.109) 6.175 8.819 ( 0.000 -1.280 -0.209) 1.297 8.982 ( 0.000 -0.805 3.344) 3.440 9.015 ( 0.000 1.851 -1.619) 2.459 9.177 ( 0.000 1.849 7.415) 7.642 9.285 ( 0.000 -0.856 2.460) 2.605 9.300 ( -0.000 1.831 -4.671) 5.017 9.354 ( 0.000 0.768 -2.899) 2.999 9.577 ( 0.000 4.646 7.878) 9.146 9.628 ( 0.000 6.457 2.019) 6.766 9.693 ( 0.000 3.320 4.550) 5.633 9.768 ( 0.000 3.950 1.976) 4.417 9.801 ( 0.000 3.189 -4.221) 5.291 9.879 ( 0.000 6.418 -6.176) 8.907 9.938 ( 0.000 4.185 4.603) 6.221 10.013 ( 0.000 1.269 4.756) 4.923 10.086 ( 0.000 2.961 -6.815) 7.431 10.093 ( 0.000 1.359 -3.735) 3.974 10.286 ( 0.000 0.879 11.532) 11.566 10.308 ( 0.000 1.019 0.634) 1.200 10.340 ( 0.000 -2.075 -3.742) 4.278 10.533 ( 0.000 -3.277 -11.580) 12.035 10.941 ( 0.000 4.042 1.037) 4.173 10.974 ( 0.000 2.423 -2.201) 3.274 10.983 ( 0.000 -2.097 5.139) 5.550 11.111 ( 0.000 -2.351 -6.795) 7.191 11.425 ( -0.000 -1.941 7.717) 7.958 11.456 ( 0.000 -2.449 4.609) 5.219 11.498 ( 0.000 -4.143 5.077) 6.553 11.570 ( 0.000 -2.625 -6.436) 6.951 11.678 ( 0.000 -7.809 7.603) 10.899 11.735 ( 0.000 4.187 10.795) 11.578 11.901 ( 0.000 2.577 -5.768) 6.317 11.956 ( 0.000 -13.388 -13.451) 18.978 13.172 ( 0.000 -1.463 3.340) 3.646 13.294 ( 0.000 -2.362 -8.819) 9.130 13.733 ( 0.000 3.134 10.860) 11.304 13.910 ( 0.000 1.482 -6.312) 6.484 14.638 ( 0.000 7.603 2.610) 8.039 14.742 ( 0.000 0.933 -7.566) 7.624 14.849 ( 0.000 -0.254 4.195) 4.203 14.922 ( 0.000 1.136 4.940) 5.069 14.930 ( 0.000 1.661 -3.043) 3.467 15.036 ( 0.000 0.791 -6.536) 6.583 15.199 ( 0.000 6.836 1.694) 7.043 15.233 ( 0.000 5.369 -1.543) 5.586 15.552 ( 0.000 -2.101 4.804) 5.243 15.560 ( 0.000 -3.559 2.950) 4.623 15.596 ( 0.000 -4.938 -0.410) 4.955 15.637 ( 0.000 -3.387 -3.098) 4.590 15.992 ( 0.000 0.115 0.179) 0.213 16.043 ( -0.000 -2.442 -5.174) 5.721 16.047 ( 0.000 -0.186 5.435) 5.438 16.150 ( 0.000 -0.224 -3.867) 3.873 16.273 ( 0.000 0.588 5.562) 5.593 16.373 ( 0.000 1.860 -4.478) 4.849 16.568 ( 0.000 3.391 3.222) 4.677 16.605 ( 0.000 2.526 0.083) 2.527 17.048 ( 0.000 -0.051 1.186) 1.187 17.088 ( 0.000 -0.596 -2.782) 2.845 17.124 ( 0.000 0.218 2.894) 2.902 17.187 ( 0.000 -0.567 -3.149) 3.199 17.340 ( 0.000 -1.172 2.158) 2.455 17.402 ( 0.000 -0.681 -4.156) 4.211 17.486 ( 0.000 3.562 5.095) 6.217 17.581 ( 0.000 4.200 -4.229) 5.960 18.021 ( 0.000 0.063 -0.955) 0.958 18.045 ( 0.000 0.003 -3.347) 3.347 18.274 ( 0.000 6.242 2.131) 6.596 18.314 ( 0.000 6.384 -1.934) 6.671 18.639 ( 0.000 -0.525 2.165) 2.228 18.742 ( 0.000 -3.016 -8.002) 8.552 19.139 ( 0.000 4.864 7.229) 8.713 19.238 ( 0.000 2.562 -2.694) 3.718 20.527 ( -0.000 2.354 8.855) 9.163 20.529 ( 0.000 3.880 10.350) 11.053 20.689 ( 0.000 -0.659 -6.582) 6.615 20.716 ( 0.000 2.169 -6.445) 6.801 21.870 ( 0.000 -8.668 12.288) 15.037 22.205 ( 0.000 -13.652 -19.330) 23.665 22.535 ( 0.000 2.044 13.835) 13.985 22.764 ( 0.000 -3.202 -8.871) 9.431 28.046 ( 0.000 -1.685 1.383) 2.180 28.094 ( 0.000 -2.230 -3.327) 4.005 28.133 ( 0.000 -0.571 2.601) 2.663 28.196 ( 0.000 -1.130 -3.569) 3.743 28.534 ( 0.000 1.995 3.142) 3.722 28.588 ( 0.000 2.516 -2.433) 3.500 28.618 ( 0.000 3.247 2.550) 4.129 28.649 ( 0.000 3.350 -0.564) 3.397 28.984 ( 0.000 -3.746 9.347) 10.069 29.025 ( 0.000 -4.139 5.813) 7.136 29.105 ( 0.000 -2.873 -0.020) 2.873 29.142 ( 0.000 -6.515 -6.149) 8.958 29.188 ( 0.000 -5.334 0.647) 5.373 29.291 ( 0.000 -8.507 -5.785) 10.288 29.494 ( 0.000 2.424 8.226) 8.575 29.652 ( 0.000 2.022 -7.205) 7.483 29.926 ( -0.000 -0.474 1.352) 1.433 29.943 ( 0.000 -2.458 3.813) 4.537 29.959 ( -0.000 -2.745 -1.981) 3.385 30.004 ( 0.000 0.629 -2.182) 2.271 30.403 ( 0.000 -8.197 7.541) 11.138 30.575 ( 0.000 -6.110 -8.893) 10.790 30.674 ( 0.000 5.479 4.777) 7.269 30.758 ( 0.000 5.518 -3.820) 6.711 32.004 ( 0.000 -6.075 3.368) 6.946 32.084 ( 0.000 -8.129 -4.303) 9.198 32.209 ( 0.000 -1.809 3.701) 4.120 32.258 ( 0.000 -2.239 -1.021) 2.461 32.623 ( 0.000 12.309 0.084) 12.309 32.667 ( 0.000 13.103 -3.916) 13.675 32.727 ( -0.000 5.339 1.983) 5.696 32.792 ( 0.000 3.814 -3.887) 5.446 ======================= Grid point 105 (40/45) ======================= q-point: ( 0.00 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.953 ( 0.000 6.411 4.429) 7.792 2.056 ( 0.000 3.845 -5.135) 6.415 2.265 ( 0.000 3.869 4.122) 5.653 2.319 ( 0.000 0.642 1.128) 1.298 2.460 ( 0.000 1.677 1.787) 2.451 2.468 ( 0.000 0.192 -1.013) 1.031 2.705 ( 0.000 6.050 5.694) 8.308 2.712 ( 0.000 0.840 6.547) 6.600 2.796 ( 0.000 5.302 -0.895) 5.377 2.873 ( 0.000 5.930 -1.413) 6.096 2.932 ( 0.000 0.770 2.584) 2.696 3.013 ( 0.000 -2.806 -2.797) 3.962 3.060 ( 0.000 -0.171 3.519) 3.523 3.126 ( 0.000 -4.253 -0.945) 4.357 3.181 ( 0.000 -0.217 0.363) 0.423 3.217 ( 0.000 -1.145 -1.585) 1.955 3.325 ( 0.000 3.570 2.604) 4.419 3.354 ( 0.000 -0.691 -1.873) 1.996 3.488 ( 0.000 -1.426 4.999) 5.198 3.494 ( 0.000 -1.819 2.324) 2.951 3.542 ( 0.000 -4.835 2.779) 5.577 3.631 ( 0.000 -3.667 -0.960) 3.791 3.698 ( 0.000 -1.231 6.140) 6.262 3.747 ( 0.000 -8.610 1.049) 8.673 3.839 ( 0.000 -0.692 7.197) 7.230 3.900 ( 0.000 -3.680 -0.159) 3.683 4.039 ( 0.000 9.924 1.082) 9.983 4.104 ( 0.000 12.502 0.303) 12.505 4.348 ( 0.000 -2.929 -5.834) 6.528 4.352 ( 0.000 -4.769 -4.717) 6.707 4.523 ( 0.000 6.359 7.075) 9.513 4.590 ( 0.000 -4.845 1.705) 5.137 4.603 ( 0.000 -7.217 3.932) 8.219 4.723 ( 0.000 -3.403 -8.391) 9.055 4.764 ( 0.000 -2.205 2.175) 3.097 4.855 ( 0.000 -5.087 -4.850) 7.029 5.002 ( 0.000 8.911 12.425) 15.290 5.034 ( 0.000 5.259 8.772) 10.228 5.102 ( 0.000 2.789 1.580) 3.205 5.182 ( 0.000 4.664 -0.149) 4.667 5.208 ( 0.000 6.347 0.222) 6.351 5.307 ( 0.000 4.791 -7.051) 8.525 5.442 ( 0.000 -2.394 0.274) 2.410 5.519 ( 0.000 0.619 -3.006) 3.069 5.623 ( 0.000 -3.161 -7.115) 7.785 5.688 ( 0.000 -2.678 -7.178) 7.661 5.855 ( 0.000 -0.710 0.065) 0.713 5.886 ( 0.000 -2.991 -2.159) 3.689 6.057 ( 0.000 1.414 3.720) 3.980 6.129 ( 0.000 2.713 2.120) 3.443 6.166 ( 0.000 5.878 3.654) 6.921 6.221 ( 0.000 3.648 -3.570) 5.105 6.287 ( 0.000 0.010 -6.455) 6.455 6.293 ( 0.000 1.049 -8.198) 8.265 6.434 ( 0.000 6.235 -0.484) 6.254 6.494 ( 0.000 4.842 -4.894) 6.885 6.634 ( 0.000 -0.017 2.082) 2.082 6.688 ( 0.000 2.900 -0.550) 2.952 6.777 ( 0.000 5.664 6.360) 8.517 6.805 ( 0.000 4.992 2.418) 5.546 6.930 ( 0.000 2.939 -4.333) 5.236 6.965 ( 0.000 1.264 -7.105) 7.217 7.282 ( 0.000 -3.042 0.811) 3.148 7.300 ( 0.000 -5.271 2.053) 5.657 7.365 ( 0.000 -2.106 -2.777) 3.486 7.381 ( 0.000 -0.908 -0.002) 0.908 7.520 ( 0.000 -1.423 2.246) 2.658 7.574 ( 0.000 -4.054 0.100) 4.055 7.743 ( 0.000 -1.721 12.644) 12.760 7.791 ( 0.000 -4.742 0.013) 4.742 7.853 ( 0.000 2.369 -5.447) 5.940 7.939 ( 0.000 0.492 -2.889) 2.931 8.102 ( 0.000 -2.790 2.525) 3.763 8.149 ( 0.000 -3.493 -0.798) 3.583 8.214 ( 0.000 -5.690 -1.741) 5.950 8.260 ( 0.000 -7.824 -8.036) 11.216 8.460 ( 0.000 -1.822 0.981) 2.070 8.491 ( 0.000 -2.696 -0.560) 2.753 8.774 ( 0.000 -1.665 3.034) 3.460 8.795 ( 0.000 -2.291 3.017) 3.789 8.910 ( 0.000 0.218 0.616) 0.654 8.919 ( 0.000 -0.105 -2.752) 2.754 9.162 ( 0.000 1.153 2.282) 2.557 9.175 ( 0.000 0.413 0.086) 0.422 9.354 ( 0.000 -0.107 2.292) 2.294 9.374 ( 0.000 -0.540 -1.031) 1.163 9.620 ( 0.000 1.424 1.568) 2.118 9.637 ( 0.000 0.283 -2.191) 2.209 9.653 ( 0.000 2.257 0.978) 2.460 9.681 ( 0.000 1.351 0.348) 1.395 9.991 ( 0.000 3.605 1.077) 3.762 9.997 ( 0.000 4.436 -0.169) 4.439 10.100 ( 0.000 4.915 3.752) 6.183 10.123 ( 0.000 2.004 4.507) 4.932 10.215 ( 0.000 3.694 -0.411) 3.717 10.250 ( 0.000 4.021 -2.491) 4.730 10.304 ( 0.000 2.614 -0.045) 2.614 10.351 ( 0.000 1.185 -3.194) 3.407 10.499 ( 0.000 4.598 2.116) 5.061 10.504 ( 0.000 4.725 0.639) 4.768 10.903 ( 0.000 2.875 -0.193) 2.882 10.919 ( 0.000 -0.279 -1.529) 1.555 11.131 ( 0.000 -4.640 -0.214) 4.645 11.139 ( 0.000 -3.247 -0.624) 3.306 11.295 ( 0.000 3.055 2.206) 3.768 11.304 ( 0.000 -4.991 4.842) 6.954 11.407 ( 0.000 0.153 -0.761) 0.776 11.496 ( 0.000 -3.994 7.856) 8.813 11.515 ( 0.000 -14.359 -7.710) 16.298 11.683 ( 0.000 -9.568 -9.104) 13.208 11.858 ( 0.000 2.876 6.157) 6.796 11.932 ( 0.000 -0.687 -1.642) 1.780 13.176 ( 0.000 3.283 -1.383) 3.563 13.226 ( 0.000 0.894 -6.600) 6.660 13.803 ( 0.000 1.784 4.651) 4.982 13.862 ( 0.000 -1.690 -1.306) 2.136 14.759 ( 0.000 3.091 0.980) 3.243 14.772 ( 0.000 3.538 0.094) 3.539 14.920 ( 0.000 1.449 2.893) 3.236 14.948 ( 0.000 0.848 0.657) 1.073 15.017 ( 0.000 0.991 -2.843) 3.011 15.041 ( 0.000 0.070 -5.243) 5.243 15.311 ( 0.000 1.860 3.696) 4.137 15.330 ( 0.000 1.441 3.651) 3.925 15.491 ( 0.000 -0.839 -0.746) 1.123 15.531 ( 0.000 -2.157 -0.992) 2.375 15.560 ( 0.000 -0.378 -1.245) 1.301 15.573 ( 0.000 -1.476 -0.189) 1.488 16.033 ( 0.000 1.268 0.648) 1.424 16.056 ( 0.000 0.156 -1.525) 1.532 16.114 ( 0.000 -0.362 3.243) 3.263 16.144 ( 0.000 -1.335 1.831) 2.266 16.243 ( 0.000 1.076 -1.172) 1.591 16.272 ( 0.000 -0.340 -2.705) 2.726 16.596 ( 0.000 2.109 2.066) 2.952 16.609 ( 0.000 1.469 0.954) 1.751 17.073 ( 0.000 0.501 1.377) 1.465 17.103 ( 0.000 -0.092 -0.607) 0.614 17.138 ( 0.000 0.163 0.616) 0.637 17.184 ( 0.000 -1.306 -2.699) 2.998 17.378 ( 0.000 -0.133 1.130) 1.138 17.381 ( 0.000 -0.356 0.656) 0.746 17.535 ( 0.000 2.823 1.190) 3.064 17.571 ( 0.000 1.327 -2.164) 2.539 17.989 ( 0.000 -0.276 -1.641) 1.664 18.001 ( 0.000 -0.463 -2.222) 2.270 18.438 ( 0.000 3.730 -0.406) 3.752 18.446 ( 0.000 3.489 -1.264) 3.711 18.640 ( 0.000 1.463 -1.443) 2.055 18.669 ( 0.000 -0.418 -4.283) 4.303 19.203 ( 0.000 2.415 5.257) 5.785 19.252 ( 0.000 0.141 0.349) 0.377 20.565 ( 0.000 4.084 7.339) 8.399 20.651 ( 0.000 3.381 8.593) 9.234 20.677 ( 0.000 -1.331 -3.531) 3.774 20.761 ( 0.000 -1.018 -0.275) 1.054 21.757 ( 0.000 -2.136 1.852) 2.827 21.954 ( 0.000 -10.693 -15.609) 18.920 22.570 ( 0.000 1.405 8.100) 8.221 22.685 ( 0.000 -4.063 -3.284) 5.224 28.064 ( 0.000 -0.968 0.451) 1.068 28.066 ( 0.000 -0.840 0.977) 1.289 28.104 ( 0.000 -1.598 -3.430) 3.784 28.109 ( 0.000 -1.672 -3.162) 3.577 28.596 ( 0.000 5.050 2.329) 5.561 28.633 ( 0.000 4.965 -1.583) 5.211 28.711 ( 0.000 3.560 1.760) 3.971 28.724 ( 0.000 2.223 1.128) 2.493 28.900 ( 0.000 -4.300 4.867) 6.494 28.934 ( 0.000 -6.694 3.473) 7.542 29.006 ( 0.000 -5.663 -2.223) 6.084 29.010 ( 0.000 -7.324 -0.815) 7.370 29.117 ( 0.000 0.173 1.220) 1.233 29.161 ( 0.000 -2.235 -2.936) 3.689 29.564 ( 0.000 1.369 8.353) 8.464 29.644 ( 0.000 -2.134 2.134) 3.017 29.775 ( 0.000 4.300 1.990) 4.738 29.879 ( 0.000 5.799 -8.967) 10.679 30.169 ( 0.000 -6.557 6.762) 9.419 30.300 ( 0.000 -1.700 -1.844) 2.508 30.335 ( 0.000 -0.892 0.479) 1.013 30.413 ( 0.000 -8.974 -10.307) 13.666 30.772 ( 0.000 4.232 2.788) 5.067 30.816 ( 0.000 2.403 -1.873) 3.047 31.621 ( 0.000 -3.117 0.420) 3.145 31.644 ( 0.000 -4.119 -1.738) 4.471 32.246 ( 0.000 -2.982 2.288) 3.759 32.268 ( 0.000 -3.617 -0.470) 3.648 32.739 ( 0.000 9.428 3.323) 9.996 32.820 ( 0.000 7.068 -4.078) 8.161 33.000 ( 0.000 2.973 0.071) 2.974 33.022 ( 0.000 3.420 -1.781) 3.856 ======================= Grid point 106 (41/45) ======================= q-point: ( 0.25 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.995 ( 2.582 1.822 4.973) 5.892 2.107 ( 4.321 2.473 -5.939) 7.750 2.257 ( 0.037 0.901 5.255) 5.331 2.326 ( 0.792 -0.549 0.239) 0.992 2.503 ( 2.301 3.433 1.162) 4.294 2.533 ( 4.964 2.654 -1.488) 5.822 2.618 ( -5.790 3.539 7.466) 10.089 2.723 ( -1.716 4.400 0.215) 4.728 2.796 ( 2.050 8.607 3.841) 9.645 2.901 ( 1.257 0.361 -2.744) 3.040 2.929 ( -0.954 0.439 3.268) 3.433 3.013 ( -1.372 -0.747 -4.458) 4.724 3.077 ( 2.450 2.457 5.164) 6.221 3.138 ( 4.193 0.992 0.083) 4.310 3.183 ( 0.254 -1.305 1.506) 2.009 3.237 ( 2.056 -0.243 -0.806) 2.221 3.362 ( 2.445 1.296 3.593) 4.535 3.411 ( 4.219 -0.835 0.605) 4.344 3.483 ( 3.662 -3.411 3.679) 6.212 3.509 ( 0.356 0.501 -0.764) 0.981 3.601 ( 2.889 0.900 2.434) 3.883 3.626 ( 0.858 -3.216 0.598) 3.381 3.712 ( 2.179 -3.296 5.348) 6.649 3.782 ( 2.741 -8.104 0.692) 8.582 3.835 ( 1.269 -1.092 6.234) 6.455 3.941 ( 2.491 -1.498 -4.676) 5.506 3.989 ( -4.475 8.436 3.781) 10.271 4.138 ( -1.483 6.088 0.897) 6.329 4.191 ( -13.889 -2.959 2.195) 14.369 4.279 ( -5.045 -3.328 -4.942) 7.807 4.444 ( -10.287 -6.745 3.188) 12.707 4.535 ( -4.178 -6.013 1.899) 7.564 4.613 ( 6.042 6.401 1.438) 8.919 4.702 ( 0.582 -0.541 -5.791) 5.845 4.808 ( 3.358 -4.099 -0.168) 5.301 4.877 ( 3.148 -3.830 -2.832) 5.709 5.011 ( -1.770 5.748 5.671) 8.267 5.075 ( -1.040 2.015 -1.167) 2.550 5.115 ( 0.915 3.922 2.833) 4.924 5.167 ( 1.169 3.228 5.516) 6.497 5.268 ( 1.191 6.281 -0.701) 6.432 5.291 ( 0.193 9.141 4.152) 10.042 5.360 ( -2.638 -0.847 -5.315) 5.994 5.477 ( -3.394 -0.130 -8.877) 9.505 5.637 ( -0.637 -4.361 -0.548) 4.441 5.702 ( 0.435 -2.993 -3.554) 4.666 5.833 ( -0.814 -0.724 1.073) 1.529 5.885 ( -0.438 1.963 -2.496) 3.205 5.986 ( -10.154 3.417 3.907) 11.404 6.055 ( -3.245 -4.478 -0.631) 5.566 6.133 ( -2.360 3.001 -2.300) 4.457 6.176 ( -6.263 2.142 -3.722) 7.594 6.264 ( 4.564 -1.659 2.003) 5.253 6.358 ( 5.025 3.272 -4.946) 7.773 6.448 ( 0.791 8.822 -0.569) 8.876 6.560 ( 5.170 5.613 -5.570) 9.448 6.666 ( -0.552 4.085 4.757) 6.294 6.712 ( 3.686 0.466 1.588) 4.040 6.786 ( 2.070 5.714 -1.524) 6.265 6.867 ( 2.565 3.126 3.595) 5.411 6.914 ( 0.036 3.778 -8.772) 9.551 6.953 ( 0.758 -1.555 -2.578) 3.105 7.210 ( -6.184 -3.329 0.463) 7.038 7.256 ( -3.919 -2.676 -4.024) 6.222 7.365 ( 1.915 0.246 2.784) 3.388 7.437 ( 1.293 -0.765 -3.109) 3.453 7.499 ( -2.920 1.622 1.576) 3.694 7.572 ( 1.081 -2.439 -3.181) 4.151 7.711 ( -1.593 -6.125 11.794) 13.385 7.841 ( 1.299 -3.964 -1.151) 4.328 7.893 ( 5.351 -2.069 1.112) 5.844 7.982 ( 1.434 -0.272 -1.986) 2.464 8.091 ( -2.711 -2.620 1.685) 4.129 8.140 ( 2.101 -2.989 -0.159) 3.657 8.239 ( 2.910 -4.250 -0.654) 5.192 8.271 ( 0.488 -5.808 -6.630) 8.828 8.464 ( 0.018 -3.138 0.900) 3.264 8.519 ( 2.343 -2.526 -3.198) 4.700 8.741 ( -1.379 -1.636 3.200) 3.849 8.791 ( -1.328 -2.801 -0.572) 3.152 8.934 ( 2.682 -0.586 3.945) 4.806 8.989 ( 4.238 0.780 -3.089) 5.302 9.166 ( 2.209 1.937 3.034) 4.223 9.241 ( 4.506 -0.069 -3.429) 5.663 9.340 ( -1.861 0.704 2.642) 3.308 9.386 ( 0.336 -0.164 -1.065) 1.129 9.574 ( -2.559 -0.928 3.574) 4.493 9.647 ( 1.535 -1.551 -2.763) 3.521 9.700 ( 4.123 3.092 2.351) 5.665 9.731 ( 4.581 2.121 -0.021) 5.048 9.931 ( -3.636 3.081 2.786) 5.521 9.996 ( -2.047 2.150 -2.296) 3.753 10.058 ( -2.171 4.332 4.728) 6.770 10.136 ( -2.318 5.803 1.032) 6.333 10.202 ( -4.156 2.925 -0.275) 5.090 10.251 ( 1.812 1.995 2.717) 3.827 10.267 ( -3.175 4.125 0.361) 5.218 10.362 ( 2.822 2.199 -2.888) 4.598 10.451 ( -3.437 6.634 0.908) 7.526 10.478 ( -1.510 2.865 -2.084) 3.851 10.915 ( 1.620 1.019 2.358) 3.037 10.970 ( 3.244 0.436 -1.672) 3.676 11.076 ( -3.475 -0.313 0.827) 3.586 11.122 ( -2.447 -1.448 -3.886) 4.815 11.317 ( 1.207 -7.503 6.776) 10.181 11.337 ( 3.144 0.772 2.297) 3.970 11.429 ( 1.876 -2.754 -0.385) 3.355 11.478 ( -0.924 -4.336 3.424) 5.601 11.533 ( 0.705 -10.439 -4.943) 11.572 11.665 ( -1.499 -11.378 -9.086) 14.638 11.836 ( -1.764 2.729 7.330) 8.018 11.932 ( -0.024 -0.041 -2.260) 2.261 13.179 ( 0.556 2.495 0.378) 2.584 13.265 ( 2.779 1.505 -8.284) 8.867 13.787 ( -0.926 1.320 6.972) 7.156 13.893 ( 2.164 -0.728 -3.731) 4.374 14.757 ( 0.162 3.641 1.524) 3.950 14.786 ( 0.970 3.414 -0.785) 3.635 14.891 ( -2.930 0.778 2.694) 4.056 14.935 ( -0.448 1.022 2.222) 2.487 14.991 ( -2.146 0.955 -3.229) 3.993 15.044 ( 0.176 0.129 -5.562) 5.566 15.293 ( -1.480 1.395 4.463) 4.904 15.325 ( -0.383 2.545 2.305) 3.455 15.495 ( 0.430 -1.302 -0.311) 1.406 15.530 ( -0.140 -2.030 -0.764) 2.174 15.535 ( -1.437 -1.299 1.412) 2.397 15.591 ( 0.839 -0.676 -3.254) 3.428 16.015 ( -1.427 0.699 -0.436) 1.648 16.033 ( -1.527 -0.219 -1.627) 2.242 16.070 ( -2.277 -0.517 3.563) 4.260 16.154 ( -0.595 -0.037 -2.862) 2.923 16.252 ( 2.830 0.205 5.874) 6.523 16.356 ( 4.453 0.779 -4.404) 6.311 16.606 ( 0.818 1.910 2.483) 3.238 16.623 ( 1.069 1.124 1.173) 1.945 17.061 ( -0.894 0.282 1.131) 1.468 17.093 ( -0.834 0.123 -1.848) 2.031 17.132 ( -0.495 -0.250 2.108) 2.180 17.183 ( -0.225 -0.555 -2.584) 2.653 17.339 ( -1.875 -0.618 1.922) 2.755 17.389 ( -0.303 -0.515 -2.879) 2.941 17.534 ( 0.644 2.253 4.482) 5.058 17.612 ( 2.376 1.708 -2.809) 4.056 18.003 ( 1.081 -0.279 -1.918) 2.219 18.021 ( 1.750 -0.309 -3.430) 3.863 18.408 ( -2.322 3.757 0.977) 4.523 18.431 ( -1.139 3.727 -1.332) 4.118 18.645 ( 0.504 1.297 -0.771) 1.591 18.691 ( 1.515 -0.553 -5.259) 5.501 19.205 ( 0.150 2.353 5.315) 5.815 19.255 ( 0.215 -0.042 0.351) 0.414 20.569 ( 0.419 3.577 6.941) 7.820 20.637 ( -1.178 3.851 8.753) 9.635 20.672 ( -0.431 -1.486 -2.895) 3.283 20.755 ( -0.485 -0.167 -0.744) 0.904 21.757 ( 0.009 -2.205 2.006) 2.981 21.957 ( 0.228 -10.719 -15.741) 19.046 22.569 ( -0.090 1.550 8.167) 8.314 22.686 ( 0.076 -4.116 -3.395) 5.336 28.031 ( -1.328 -1.063 0.471) 1.765 28.068 ( -1.395 -1.620 -3.289) 3.923 28.103 ( 1.439 -0.765 1.071) 1.950 28.146 ( 1.626 -1.704 -3.355) 4.099 28.598 ( 0.195 4.685 2.838) 5.481 28.642 ( 0.787 4.443 -1.799) 4.858 28.704 ( -0.649 3.776 2.002) 4.322 28.723 ( -0.098 2.960 0.434) 2.993 28.901 ( 0.035 -4.248 5.492) 6.944 28.931 ( -0.241 -6.068 3.930) 7.234 28.998 ( -0.407 -5.645 -2.606) 6.231 29.006 ( -0.450 -7.437 -2.184) 7.764 29.129 ( 0.957 -0.212 1.469) 1.766 29.173 ( 0.993 -2.522 -2.633) 3.779 29.543 ( -1.278 1.095 9.094) 9.249 29.679 ( 2.531 -0.132 -1.578) 2.985 29.810 ( 3.704 3.156 2.686) 5.558 29.891 ( 1.346 4.140 -6.373) 7.718 30.101 ( -7.231 -3.085 4.425) 9.021 30.177 ( -9.392 -0.140 -1.926) 9.588 30.281 ( -3.073 -3.819 2.473) 5.491 30.415 ( -0.013 -9.121 -10.390) 13.825 30.772 ( -0.077 4.022 3.476) 5.316 30.830 ( 0.923 2.619 -2.527) 3.755 31.755 ( 11.071 -3.132 1.075) 11.556 31.783 ( 11.639 -4.550 -1.671) 12.608 32.213 ( -3.525 -3.260 3.018) 5.671 32.247 ( -2.576 -3.727 -0.515) 4.560 32.753 ( 1.922 8.429 2.513) 9.004 32.821 ( 0.556 6.301 -3.493) 7.226 32.947 ( -4.834 4.400 -0.136) 6.538 32.974 ( -4.444 4.003 -2.352) 6.427 ======================= Grid point 107 (42/45) ======================= q-point: (-0.50 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.019 ( 0.000 -2.005 4.586) 5.005 2.163 ( 0.000 0.100 -8.850) 8.851 2.269 ( 0.000 -3.307 9.430) 9.993 2.338 ( 0.000 -1.439 1.379) 1.993 2.494 ( 0.000 9.496 5.133) 10.795 2.564 ( 0.000 0.691 5.211) 5.257 2.626 ( -0.000 8.989 -5.465) 10.520 2.657 ( 0.000 2.527 -2.809) 3.778 2.835 ( 0.000 11.969 5.746) 13.277 2.904 ( 0.000 -4.561 0.889) 4.647 2.941 ( -0.000 -3.089 -0.611) 3.149 2.965 ( 0.000 3.077 -4.309) 5.294 3.132 ( 0.000 3.855 7.774) 8.677 3.162 ( -0.000 0.478 1.737) 1.802 3.196 ( 0.000 0.699 -2.552) 2.646 3.296 ( -0.000 5.170 -4.508) 6.859 3.387 ( 0.000 -0.962 6.784) 6.852 3.458 ( 0.000 -0.498 0.300) 0.581 3.506 ( 0.000 -1.310 5.679) 5.829 3.606 ( 0.000 -0.045 7.233) 7.233 3.630 ( 0.000 1.549 -0.169) 1.558 3.714 ( -0.000 -4.257 4.002) 5.843 3.751 ( 0.000 -3.945 -4.242) 5.793 3.826 ( -0.000 3.910 0.487) 3.940 3.842 ( 0.000 -5.180 5.527) 7.575 3.879 ( 0.000 4.422 2.457) 5.059 3.937 ( 0.000 -3.925 9.949) 10.695 4.002 ( -0.000 -3.018 -4.028) 5.033 4.035 ( 0.000 5.276 -3.816) 6.511 4.261 ( 0.000 -17.074 -9.840) 19.707 4.303 ( 0.000 -4.329 6.324) 7.664 4.497 ( 0.000 -2.055 -0.714) 2.175 4.649 ( 0.000 2.777 -1.742) 3.278 4.782 ( 0.000 8.287 -6.985) 10.838 4.872 ( 0.000 8.007 9.119) 12.135 4.924 ( 0.000 1.584 -0.927) 1.835 4.994 ( 0.000 -10.159 0.575) 10.175 5.012 ( -0.000 7.656 5.917) 9.676 5.077 ( 0.000 -7.628 -6.031) 9.724 5.191 ( 0.000 5.378 -0.031) 5.378 5.231 ( 0.000 5.450 7.575) 9.332 5.344 ( 0.000 2.327 -0.330) 2.350 5.360 ( 0.000 2.263 -4.371) 4.922 5.423 ( 0.000 1.506 -7.526) 7.675 5.675 ( 0.000 -4.645 3.996) 6.127 5.699 ( 0.000 1.432 2.183) 2.610 5.762 ( -0.000 2.388 -3.160) 3.960 5.786 ( 0.000 -2.396 -5.405) 5.912 5.992 ( 0.000 10.204 2.215) 10.442 6.006 ( -0.000 -4.536 2.207) 5.045 6.082 ( 0.000 -8.270 -6.047) 10.245 6.129 ( 0.000 7.039 -4.123) 8.158 6.321 ( 0.000 -2.207 5.536) 5.960 6.405 ( 0.000 -2.225 1.078) 2.473 6.457 ( 0.000 13.943 2.554) 14.175 6.639 ( -0.000 6.574 -5.284) 8.434 6.655 ( 0.000 2.544 -0.467) 2.587 6.778 ( -0.000 0.116 -6.375) 6.376 6.779 ( 0.000 2.751 4.503) 5.277 6.840 ( 0.000 11.085 -4.106) 11.821 6.976 ( 0.000 -2.945 1.801) 3.452 7.049 ( -0.000 1.274 3.321) 3.557 7.075 ( 0.000 -5.762 -8.224) 10.042 7.188 ( 0.000 3.292 -8.833) 9.426 7.390 ( 0.000 -0.895 0.416) 0.987 7.448 ( 0.000 -2.091 -4.350) 4.827 7.454 ( -0.000 4.132 6.953) 8.088 7.589 ( 0.000 -1.862 -5.416) 5.727 7.691 ( 0.000 -9.242 10.776) 14.197 7.851 ( 0.000 -4.979 -3.858) 6.299 7.974 ( 0.000 0.677 2.761) 2.842 8.012 ( -0.000 -6.667 5.157) 8.429 8.013 ( 0.000 0.478 -0.145) 0.499 8.209 ( 0.000 -6.795 -8.370) 10.780 8.236 ( -0.000 0.356 4.959) 4.971 8.293 ( 0.000 -1.956 0.590) 2.043 8.465 ( 0.000 -5.472 -1.526) 5.681 8.553 ( 0.000 -3.048 -7.518) 8.112 8.727 ( 0.000 -1.327 2.930) 3.216 8.770 ( 0.000 -3.114 -0.292) 3.128 8.965 ( 0.000 -0.517 5.067) 5.093 9.040 ( 0.000 0.418 -4.472) 4.491 9.231 ( 0.000 4.048 6.689) 7.818 9.267 ( 0.000 -0.544 0.180) 0.573 9.333 ( -0.000 -2.221 -5.189) 5.644 9.352 ( 0.000 3.047 -4.653) 5.562 9.568 ( 0.000 -2.969 8.188) 8.710 9.686 ( 0.000 -0.731 -3.525) 3.600 9.758 ( 0.000 2.685 4.880) 5.570 9.825 ( -0.000 -0.178 -1.470) 1.481 9.844 ( 0.000 2.613 5.058) 5.693 9.952 ( 0.000 1.266 -4.514) 4.688 10.059 ( -0.000 3.370 4.566) 5.675 10.067 ( 0.000 6.210 6.219) 8.789 10.151 ( 0.000 2.977 -4.307) 5.236 10.188 ( 0.000 3.192 -5.293) 6.181 10.319 ( 0.000 2.025 9.420) 9.636 10.380 ( 0.000 9.715 0.309) 9.720 10.408 ( 0.000 8.432 -0.870) 8.476 10.475 ( 0.000 -2.333 -5.576) 6.045 10.943 ( -0.000 -1.560 4.322) 4.595 10.996 ( 0.000 1.655 3.351) 3.738 11.056 ( -0.000 3.839 -2.627) 4.652 11.071 ( 0.000 -1.084 -7.598) 7.675 11.330 ( 0.000 -9.445 8.130) 12.463 11.390 ( 0.000 -1.184 5.614) 5.738 11.424 ( 0.000 -3.987 0.924) 4.092 11.506 ( 0.000 -3.459 -5.566) 6.553 11.518 ( -0.000 -6.893 -1.217) 7.000 11.647 ( 0.000 -14.902 -9.849) 17.862 11.813 ( 0.000 2.938 8.984) 9.452 11.931 ( 0.000 0.459 -2.846) 2.883 13.188 ( 0.000 2.087 1.606) 2.633 13.298 ( 0.000 1.662 -9.467) 9.611 13.777 ( 0.000 1.469 8.658) 8.782 13.919 ( 0.000 -0.289 -5.525) 5.532 14.762 ( 0.000 4.113 1.233) 4.294 14.803 ( 0.000 4.215 -2.378) 4.840 14.843 ( -0.000 -0.206 5.219) 5.223 14.938 ( 0.000 0.395 4.715) 4.732 14.959 ( 0.000 1.151 -5.572) 5.689 15.046 ( 0.000 0.258 -6.197) 6.203 15.274 ( 0.000 1.073 5.115) 5.226 15.320 ( 0.000 3.395 1.229) 3.610 15.503 ( 0.000 -1.976 0.528) 2.045 15.517 ( 0.000 -1.410 2.404) 2.787 15.528 ( 0.000 -1.886 -0.997) 2.133 15.600 ( 0.000 -0.476 -4.658) 4.682 15.998 ( 0.000 0.313 -1.254) 1.292 16.014 ( 0.000 -0.736 -3.150) 3.235 16.047 ( 0.000 0.056 5.763) 5.763 16.147 ( 0.000 -0.106 -3.297) 3.299 16.287 ( 0.000 0.704 6.814) 6.851 16.405 ( 0.000 1.203 -4.964) 5.107 16.616 ( 0.000 1.692 3.004) 3.448 16.636 ( 0.000 0.745 1.410) 1.595 17.050 ( 0.000 0.216 0.836) 0.863 17.083 ( 0.000 -0.100 -2.429) 2.431 17.125 ( 0.000 -0.062 2.824) 2.824 17.179 ( 0.000 -0.203 -2.446) 2.455 17.319 ( 0.000 -0.852 2.140) 2.303 17.385 ( 0.000 -0.849 -4.557) 4.635 17.544 ( 0.000 2.138 6.087) 6.451 17.638 ( 0.000 1.650 -2.916) 3.350 18.016 ( 0.000 -0.330 -2.201) 2.225 18.045 ( 0.000 -0.158 -4.978) 4.980 18.379 ( 0.000 3.976 2.552) 4.725 18.417 ( 0.000 3.797 -1.358) 4.032 18.652 ( 0.000 1.231 -0.333) 1.275 18.708 ( 0.000 -0.763 -5.909) 5.958 19.207 ( 0.000 2.295 5.375) 5.845 19.257 ( 0.000 -0.235 0.346) 0.418 20.576 ( 0.000 2.545 6.105) 6.614 20.620 ( 0.000 4.921 9.510) 10.708 20.666 ( 0.000 -1.661 -2.360) 2.886 20.749 ( 0.000 0.628 -1.275) 1.421 21.758 ( 0.000 -2.272 2.158) 3.133 21.960 ( 0.000 -10.745 -15.870) 19.166 22.568 ( 0.000 1.690 8.231) 8.403 22.687 ( 0.000 -4.162 -3.503) 5.440 28.017 ( 0.000 -1.129 0.362) 1.185 28.053 ( 0.000 -1.661 -3.315) 3.708 28.118 ( 0.000 -0.680 1.276) 1.446 28.163 ( 0.000 -1.755 -3.362) 3.792 28.600 ( 0.000 4.241 3.387) 5.427 28.653 ( 0.000 3.665 -2.247) 4.299 28.694 ( 0.000 4.289 2.383) 4.907 28.721 ( 0.000 3.738 -0.214) 3.745 28.901 ( 0.000 -4.213 6.330) 7.604 28.928 ( 0.000 -5.390 4.101) 6.772 28.995 ( 0.000 -6.219 -2.903) 6.863 28.999 ( 0.000 -7.042 -3.402) 7.821 29.141 ( 0.000 -0.630 1.677) 1.792 29.186 ( 0.000 -2.752 -2.469) 3.697 29.529 ( 0.000 1.185 9.618) 9.691 29.709 ( 0.000 2.633 -6.239) 6.772 29.914 ( 0.000 -0.708 0.815) 1.080 29.924 ( 0.000 1.040 6.618) 6.699 29.943 ( -0.000 0.399 -1.722) 1.768 30.052 ( 0.000 3.270 -4.721) 5.743 30.252 ( 0.000 -5.859 4.468) 7.368 30.415 ( 0.000 -9.182 -10.554) 13.989 30.770 ( 0.000 3.967 4.036) 5.659 30.840 ( 0.000 2.727 -3.031) 4.077 31.912 ( 0.000 -2.952 1.937) 3.531 31.956 ( -0.000 -4.637 -2.509) 5.272 32.138 ( 0.000 -4.055 4.597) 6.130 32.192 ( 0.000 -3.587 -0.777) 3.671 32.815 ( 0.000 3.409 1.766) 3.840 32.832 ( -0.000 8.065 1.635) 8.229 32.874 ( 0.000 3.608 -3.957) 5.355 32.890 ( -0.000 8.183 -3.912) 9.070 ======================= Grid point 110 (43/45) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.056 ( 0.000 -3.284 -1.258) 3.517 2.056 ( 0.000 3.284 -1.258) 3.517 2.305 ( 0.000 -0.915 2.216) 2.397 2.305 ( 0.000 0.915 2.216) 2.397 2.467 ( 0.000 -0.005 -3.591) 3.591 2.467 ( 0.000 0.005 -3.591) 3.591 2.739 ( 0.000 -1.323 8.102) 8.209 2.739 ( 0.000 1.323 8.102) 8.209 2.926 ( 0.000 -1.123 -0.371) 1.183 2.926 ( 0.000 1.123 -0.371) 1.183 2.953 ( 0.000 -0.310 0.891) 0.943 2.953 ( 0.000 0.310 0.891) 0.943 3.078 ( 0.000 -2.140 0.100) 2.143 3.078 ( 0.000 2.140 0.100) 2.143 3.177 ( 0.000 -1.191 0.006) 1.191 3.177 ( 0.000 1.191 0.006) 1.191 3.359 ( 0.000 -0.372 2.391) 2.420 3.359 ( 0.000 0.372 2.391) 2.420 3.451 ( 0.000 -2.155 5.062) 5.501 3.451 ( 0.000 2.155 5.062) 5.501 3.565 ( 0.000 -1.468 -0.128) 1.473 3.565 ( 0.000 1.468 -0.128) 1.473 3.655 ( 0.000 -0.015 0.737) 0.738 3.655 ( 0.000 0.015 0.737) 0.738 3.843 ( 0.000 -1.100 3.617) 3.781 3.843 ( 0.000 1.100 3.617) 3.781 4.174 ( 0.000 -1.453 0.882) 1.700 4.174 ( 0.000 1.453 0.882) 1.700 4.364 ( 0.000 -0.435 -6.118) 6.134 4.364 ( 0.000 0.435 -6.118) 6.134 4.543 ( 0.000 -2.581 5.824) 6.371 4.543 ( 0.000 2.581 5.824) 6.371 4.575 ( 0.000 -2.629 2.157) 3.400 4.575 ( 0.000 2.629 2.157) 3.400 4.779 ( 0.000 -2.354 -3.456) 4.182 4.779 ( 0.000 2.354 -3.456) 4.182 5.110 ( 0.000 -1.357 5.542) 5.706 5.110 ( 0.000 1.357 5.542) 5.706 5.193 ( 0.000 -6.108 4.121) 7.368 5.193 ( 0.000 6.108 4.121) 7.368 5.310 ( 0.000 -1.769 -7.069) 7.287 5.310 ( 0.000 1.769 -7.069) 7.287 5.489 ( 0.000 -5.470 -0.835) 5.533 5.489 ( 0.000 5.470 -0.835) 5.533 5.576 ( 0.000 -4.427 -6.091) 7.530 5.576 ( 0.000 4.427 -6.091) 7.530 5.859 ( 0.000 -0.662 -0.991) 1.192 5.859 ( 0.000 0.662 -0.991) 1.192 6.106 ( 0.000 -2.782 3.660) 4.597 6.106 ( 0.000 2.782 3.660) 4.597 6.243 ( 0.000 -0.813 -1.027) 1.310 6.243 ( 0.000 0.813 -1.027) 1.310 6.339 ( 0.000 -0.946 -7.006) 7.070 6.339 ( 0.000 0.946 -7.006) 7.070 6.524 ( 0.000 -1.845 -2.006) 2.725 6.524 ( 0.000 1.845 -2.006) 2.725 6.669 ( 0.000 -3.447 4.061) 5.326 6.669 ( 0.000 3.447 4.061) 5.326 6.872 ( 0.000 -1.304 2.195) 2.553 6.872 ( 0.000 1.304 2.195) 2.553 6.980 ( 0.000 -1.128 2.132) 2.412 6.980 ( 0.000 1.128 2.132) 2.412 7.209 ( 0.000 -1.298 -5.820) 5.963 7.209 ( 0.000 1.298 -5.820) 5.963 7.354 ( 0.000 -0.749 -0.977) 1.231 7.354 ( 0.000 0.749 -0.977) 1.231 7.516 ( 0.000 -0.980 3.580) 3.712 7.516 ( 0.000 0.980 3.580) 3.712 7.733 ( 0.000 -0.476 6.195) 6.214 7.733 ( 0.000 0.476 6.195) 6.214 7.922 ( 0.000 -2.280 -7.256) 7.606 7.922 ( 0.000 2.280 -7.256) 7.606 8.102 ( 0.000 -2.181 0.871) 2.349 8.102 ( 0.000 2.181 0.871) 2.349 8.142 ( 0.000 -0.302 -5.083) 5.092 8.142 ( 0.000 0.302 -5.083) 5.092 8.449 ( 0.000 -0.709 1.110) 1.317 8.449 ( 0.000 0.709 1.110) 1.317 8.765 ( 0.000 -0.335 2.763) 2.783 8.765 ( 0.000 0.335 2.763) 2.783 8.916 ( 0.000 -0.051 -1.871) 1.872 8.916 ( 0.000 0.051 -1.871) 1.872 9.176 ( 0.000 -0.165 -0.010) 0.165 9.176 ( 0.000 0.165 -0.010) 0.165 9.357 ( 0.000 -0.696 0.460) 0.834 9.357 ( 0.000 0.696 0.460) 0.834 9.626 ( 0.000 -0.163 -0.337) 0.375 9.626 ( 0.000 0.163 -0.337) 0.375 9.696 ( 0.000 -0.831 0.523) 0.982 9.696 ( 0.000 0.831 0.523) 0.982 10.028 ( 0.000 -0.279 0.787) 0.835 10.028 ( 0.000 0.279 0.787) 0.835 10.144 ( 0.000 -0.003 3.143) 3.143 10.144 ( 0.000 0.003 3.143) 3.143 10.273 ( 0.000 -1.271 -0.340) 1.316 10.273 ( 0.000 1.271 -0.340) 1.316 10.345 ( 0.000 -1.316 0.632) 1.460 10.345 ( 0.000 1.316 0.632) 1.460 10.604 ( 0.000 -0.930 3.165) 3.299 10.604 ( 0.000 0.930 3.165) 3.299 10.929 ( 0.000 -1.154 -2.399) 2.663 10.929 ( 0.000 1.154 -2.399) 2.663 11.079 ( 0.000 -1.396 1.043) 1.742 11.079 ( 0.000 1.396 1.043) 1.742 11.249 ( 0.000 -5.611 -3.284) 6.501 11.249 ( 0.000 5.611 -3.284) 6.501 11.386 ( 0.000 -3.972 5.048) 6.423 11.386 ( 0.000 3.972 5.048) 6.423 11.532 ( 0.000 -6.687 -6.206) 9.123 11.532 ( 0.000 6.687 -6.206) 9.123 11.904 ( 0.000 -1.769 2.547) 3.101 11.904 ( 0.000 1.769 2.547) 3.101 13.228 ( 0.000 -1.048 -4.364) 4.488 13.228 ( 0.000 1.048 -4.364) 4.488 13.830 ( 0.000 -1.042 1.261) 1.636 13.830 ( 0.000 1.042 1.261) 1.636 14.800 ( 0.000 -0.571 1.334) 1.452 14.800 ( 0.000 0.571 1.334) 1.452 14.949 ( 0.000 -0.829 1.680) 1.873 14.949 ( 0.000 0.829 1.680) 1.873 15.034 ( 0.000 -0.569 -4.701) 4.735 15.034 ( 0.000 0.569 -4.701) 4.735 15.330 ( 0.000 -0.466 6.375) 6.392 15.330 ( 0.000 0.466 6.375) 6.392 15.497 ( 0.000 -1.098 -3.373) 3.547 15.497 ( 0.000 1.098 -3.373) 3.547 15.563 ( 0.000 -0.036 -0.354) 0.355 15.563 ( 0.000 0.036 -0.354) 0.355 16.052 ( 0.000 -0.582 -1.518) 1.626 16.052 ( 0.000 0.582 -1.518) 1.626 16.120 ( 0.000 -0.407 4.084) 4.104 16.120 ( 0.000 0.407 4.084) 4.104 16.262 ( 0.000 -0.246 -2.135) 2.150 16.262 ( 0.000 0.246 -2.135) 2.150 16.620 ( 0.000 -0.331 1.634) 1.667 16.620 ( 0.000 0.331 1.634) 1.667 17.089 ( 0.000 -0.863 1.508) 1.737 17.089 ( 0.000 0.863 1.508) 1.737 17.156 ( 0.000 -1.175 -1.985) 2.306 17.156 ( 0.000 1.175 -1.985) 2.306 17.377 ( 0.000 -0.001 0.822) 0.822 17.377 ( 0.000 0.001 0.822) 0.822 17.574 ( 0.000 -0.657 -0.157) 0.675 17.574 ( 0.000 0.657 -0.157) 0.675 17.990 ( 0.000 -0.376 -2.611) 2.638 17.990 ( 0.000 0.376 -2.611) 2.638 18.477 ( 0.000 -0.162 -0.523) 0.547 18.477 ( 0.000 0.162 -0.523) 0.547 18.662 ( 0.000 -0.552 -2.839) 2.892 18.662 ( 0.000 0.552 -2.839) 2.892 19.239 ( 0.000 -1.291 2.921) 3.194 19.239 ( 0.000 1.291 2.921) 3.194 20.629 ( 0.000 -2.806 2.415) 3.702 20.629 ( 0.000 2.806 2.415) 3.702 20.725 ( 0.000 -3.202 5.570) 6.425 20.725 ( 0.000 3.202 5.570) 6.425 21.791 ( 0.000 -5.377 -8.865) 10.369 21.791 ( 0.000 5.377 -8.865) 10.369 22.613 ( 0.000 -3.009 2.213) 3.736 22.613 ( 0.000 3.009 2.213) 3.736 28.055 ( 0.000 -0.018 0.125) 0.126 28.055 ( 0.000 0.018 0.125) 0.126 28.089 ( 0.000 -0.030 -3.149) 3.149 28.089 ( 0.000 0.030 -3.149) 3.149 28.682 ( 0.000 -2.123 1.094) 2.389 28.682 ( 0.000 2.123 1.094) 2.389 28.765 ( 0.000 -0.780 0.986) 1.257 28.765 ( 0.000 0.780 0.986) 1.257 28.834 ( 0.000 -0.230 2.163) 2.175 28.834 ( 0.000 0.230 2.163) 2.175 28.935 ( 0.000 -0.568 -0.461) 0.731 28.935 ( 0.000 0.568 -0.461) 0.731 29.131 ( 0.000 -0.995 -0.566) 1.145 29.131 ( 0.000 0.995 -0.566) 1.145 29.596 ( 0.000 -1.879 6.847) 7.100 29.596 ( 0.000 1.879 6.847) 7.100 29.887 ( 0.000 -5.318 1.823) 5.622 29.887 ( 0.000 5.318 1.823) 5.622 30.180 ( 0.000 -7.566 -8.469) 11.356 30.180 ( 0.000 7.566 -8.469) 11.356 30.332 ( 0.000 -0.539 -0.819) 0.981 30.332 ( 0.000 0.539 -0.819) 0.981 30.828 ( 0.000 -1.112 0.476) 1.210 30.828 ( 0.000 1.112 0.476) 1.210 31.596 ( 0.000 -0.616 -0.626) 0.878 31.596 ( 0.000 0.616 -0.626) 0.878 32.220 ( 0.000 -0.647 1.117) 1.291 32.220 ( 0.000 0.647 1.117) 1.291 32.863 ( 0.000 -2.624 0.901) 2.775 32.863 ( 0.000 2.624 0.901) 2.775 33.043 ( 0.000 -1.040 -1.856) 2.127 33.043 ( 0.000 1.040 -1.856) 2.127 ======================= Grid point 112 (44/45) ======================= q-point: ( 0.25 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.020 ( -1.740 0.000 2.860) 3.348 2.118 ( 3.299 0.000 -4.302) 5.421 2.257 ( -2.492 0.000 4.423) 5.076 2.313 ( 0.394 0.000 -0.157) 0.424 2.520 ( 4.041 0.000 -0.217) 4.047 2.567 ( 6.901 0.000 -4.396) 8.182 2.714 ( -2.003 0.000 9.718) 9.923 2.737 ( -1.430 -0.000 3.317) 3.612 2.846 ( -2.889 0.000 -3.002) 4.167 2.885 ( -1.557 0.000 -1.627) 2.252 2.977 ( -1.289 0.000 1.461) 1.948 3.011 ( -0.347 0.000 -1.650) 1.686 3.118 ( 5.852 0.000 1.691) 6.092 3.128 ( 5.223 0.000 1.676) 5.485 3.192 ( 3.532 0.000 5.117) 6.217 3.252 ( 5.813 0.000 1.610) 6.032 3.376 ( 1.291 0.000 3.735) 3.952 3.409 ( 4.245 0.000 2.185) 4.774 3.432 ( 3.422 0.000 8.115) 8.807 3.541 ( -0.700 0.000 -2.203) 2.312 3.580 ( 4.155 -0.000 -0.518) 4.187 3.593 ( 2.071 0.000 -2.392) 3.164 3.651 ( 5.126 0.000 2.918) 5.898 3.689 ( 2.048 0.000 0.216) 2.059 3.814 ( -1.146 0.000 6.846) 6.942 3.914 ( 4.717 0.000 -3.069) 5.628 4.087 ( -6.281 0.000 0.739) 6.325 4.142 ( -7.501 0.000 -2.303) 7.846 4.213 ( -9.811 -0.000 -0.162) 9.812 4.238 ( -16.509 0.000 4.790) 17.190 4.402 ( -9.350 0.000 6.292) 11.270 4.493 ( -2.683 0.000 -6.601) 7.126 4.647 ( 5.021 0.000 4.931) 7.038 4.707 ( 8.722 0.000 0.523) 8.738 4.751 ( 5.821 0.000 0.861) 5.885 4.822 ( 4.055 0.000 -6.618) 7.761 5.078 ( -4.410 0.000 1.747) 4.744 5.111 ( -3.418 0.000 -0.921) 3.540 5.192 ( 0.815 0.000 7.406) 7.451 5.217 ( -2.146 0.000 -3.246) 3.891 5.280 ( -0.014 0.000 1.165) 1.165 5.355 ( 2.230 0.000 -6.973) 7.321 5.444 ( -5.421 0.000 0.668) 5.462 5.455 ( -3.236 -0.000 0.394) 3.260 5.580 ( 4.593 0.000 -2.677) 5.317 5.648 ( 3.544 0.000 -5.879) 6.865 5.834 ( -0.540 0.000 -0.264) 0.601 5.888 ( 2.350 0.000 -5.948) 6.396 5.980 ( -8.139 0.000 3.870) 9.012 6.003 ( -12.414 0.000 1.806) 12.545 6.204 ( -2.553 0.000 -2.335) 3.460 6.230 ( 0.810 0.000 -1.905) 2.070 6.284 ( -2.346 0.000 2.120) 3.162 6.377 ( 1.762 0.000 -1.666) 2.425 6.554 ( 3.700 0.000 0.754) 3.776 6.622 ( 7.194 0.000 -5.313) 8.943 6.696 ( -0.039 0.000 1.308) 1.309 6.735 ( 5.909 0.000 -0.058) 5.909 6.854 ( -0.548 0.000 4.414) 4.448 6.859 ( -0.968 -0.000 0.481) 1.080 6.943 ( -1.392 0.000 3.157) 3.450 7.002 ( 0.325 0.000 -1.045) 1.095 7.150 ( -4.645 0.000 -0.895) 4.730 7.200 ( 1.049 0.000 -5.570) 5.668 7.394 ( 1.636 0.000 0.162) 1.644 7.423 ( 2.013 0.000 -0.051) 2.014 7.513 ( 0.383 0.000 2.420) 2.450 7.531 ( 1.506 0.000 0.078) 1.508 7.684 ( -5.134 0.000 3.242) 6.072 7.757 ( 0.502 0.000 0.190) 0.537 7.876 ( 2.220 0.000 -0.911) 2.399 7.974 ( 0.997 0.000 -5.295) 5.388 8.072 ( -2.716 0.000 -0.433) 2.751 8.088 ( 0.164 0.000 -1.613) 1.621 8.187 ( 4.456 0.000 -3.252) 5.516 8.210 ( 4.744 0.000 -1.065) 4.862 8.432 ( -1.254 0.000 3.276) 3.508 8.492 ( 2.536 0.000 -3.019) 3.943 8.722 ( -1.280 0.000 2.102) 2.461 8.761 ( -2.098 0.000 -0.591) 2.180 8.930 ( 2.649 0.000 3.726) 4.572 8.995 ( 4.132 0.000 -3.700) 5.546 9.188 ( 2.855 0.000 0.268) 2.868 9.239 ( 4.201 0.000 -3.453) 5.438 9.359 ( -1.309 -0.000 1.813) 2.237 9.374 ( 1.774 0.000 1.563) 2.364 9.561 ( -4.316 0.000 1.735) 4.652 9.622 ( 1.135 0.000 -2.818) 3.038 9.737 ( 4.085 0.000 1.466) 4.340 9.749 ( 3.559 0.000 0.304) 3.572 9.959 ( -4.360 0.000 2.367) 4.961 10.009 ( -2.618 0.000 -2.618) 3.703 10.104 ( -2.040 0.000 6.245) 6.570 10.196 ( -1.446 0.000 -1.903) 2.391 10.226 ( -6.601 0.000 3.359) 7.407 10.270 ( 0.636 0.000 1.486) 1.616 10.301 ( -1.393 0.000 2.286) 2.677 10.378 ( 5.120 0.000 -2.405) 5.656 10.577 ( -2.111 -0.000 2.666) 3.401 10.577 ( -2.200 0.000 2.060) 3.013 10.927 ( 0.256 0.000 2.016) 2.033 10.965 ( 1.949 0.000 -0.123) 1.953 11.064 ( 0.507 0.000 -0.151) 0.529 11.098 ( -1.012 0.000 -4.429) 4.543 11.210 ( -0.641 0.000 2.775) 2.848 11.312 ( 3.203 0.000 -6.259) 7.031 11.367 ( 0.326 0.000 5.056) 5.067 11.424 ( 1.734 0.000 2.058) 2.692 11.501 ( -2.461 0.000 -6.118) 6.595 11.521 ( -1.473 0.000 -5.053) 5.263 11.866 ( -2.014 0.000 5.751) 6.094 11.927 ( 0.657 0.000 -0.081) 0.662 13.210 ( 0.086 0.000 -0.567) 0.573 13.285 ( 3.059 0.000 -8.112) 8.670 13.799 ( -0.849 0.000 5.485) 5.550 13.883 ( 2.617 0.000 -3.147) 4.093 14.803 ( 0.354 0.000 1.674) 1.711 14.812 ( 0.981 0.000 1.607) 1.882 14.903 ( -3.212 0.000 2.117) 3.847 14.947 ( -0.676 0.000 2.097) 2.203 15.001 ( -2.188 0.000 -4.704) 5.188 15.044 ( 0.382 0.000 -5.428) 5.441 15.300 ( -1.740 0.000 6.885) 7.102 15.346 ( 0.685 0.000 4.135) 4.192 15.487 ( -0.345 0.000 -2.932) 2.952 15.507 ( 0.410 0.000 -2.309) 2.345 15.525 ( -1.928 0.000 2.541) 3.190 15.589 ( 0.945 0.000 -3.898) 4.011 16.024 ( -1.696 0.000 -1.240) 2.101 16.028 ( -2.123 0.000 -2.392) 3.198 16.066 ( -1.710 0.000 5.172) 5.447 16.153 ( -0.510 0.000 -2.602) 2.651 16.255 ( 3.134 0.000 6.291) 7.028 16.364 ( 4.795 0.000 -4.436) 6.532 16.629 ( 0.762 -0.000 1.871) 2.020 16.631 ( 0.653 0.000 2.106) 2.204 17.065 ( -1.113 0.000 1.204) 1.640 17.093 ( -0.663 0.000 -0.985) 1.188 17.130 ( -0.727 0.000 1.475) 1.644 17.177 ( 0.349 0.000 -2.523) 2.547 17.332 ( -2.106 0.000 1.893) 2.832 17.383 ( -0.602 0.000 -2.970) 3.030 17.557 ( 0.443 0.000 4.488) 4.510 17.628 ( 2.388 0.000 -2.085) 3.170 18.000 ( 0.980 0.000 -2.567) 2.748 18.016 ( 1.971 0.000 -4.150) 4.595 18.446 ( -2.122 0.000 1.213) 2.444 18.469 ( -1.038 0.000 -1.014) 1.451 18.662 ( 0.430 0.000 -1.763) 1.815 18.686 ( 1.335 0.000 -4.138) 4.348 19.238 ( 0.004 -0.000 3.142) 3.142 19.241 ( 0.111 0.000 2.738) 2.740 20.624 ( -0.273 -0.000 2.651) 2.665 20.630 ( -0.042 0.000 1.977) 1.978 20.702 ( -1.119 -0.000 6.847) 6.938 20.737 ( 0.299 0.000 4.300) 4.310 21.777 ( -0.529 0.000 -7.629) 7.648 21.807 ( 0.685 -0.000 -9.953) 9.976 22.612 ( -0.039 0.000 2.376) 2.376 22.615 ( 0.083 -0.000 2.047) 2.049 28.020 ( -1.395 0.000 0.040) 1.396 28.051 ( -1.422 0.000 -3.280) 3.574 28.095 ( 1.540 0.000 0.418) 1.596 28.127 ( 1.543 0.000 -3.168) 3.524 28.669 ( -0.538 0.000 2.533) 2.590 28.692 ( 0.349 0.000 -0.250) 0.429 28.763 ( -0.091 0.000 1.103) 1.107 28.768 ( 0.167 0.000 0.966) 0.980 28.839 ( 0.618 0.000 2.842) 2.909 28.844 ( 0.718 -0.000 2.431) 2.535 28.923 ( -0.988 0.000 -0.779) 1.258 28.928 ( -0.598 -0.000 -1.693) 1.795 29.132 ( 0.381 0.000 0.441) 0.583 29.148 ( 1.019 0.000 -1.171) 1.552 29.555 ( -1.352 0.000 10.079) 10.169 29.670 ( 4.416 0.000 1.571) 4.687 29.884 ( 0.327 -0.000 3.179) 3.196 29.911 ( 1.978 0.000 -0.198) 1.988 30.083 ( -7.736 0.000 -2.653) 8.179 30.167 ( -4.513 0.000 -5.026) 6.755 30.272 ( -2.669 0.000 -4.938) 5.613 30.277 ( -3.210 -0.000 -3.687) 4.888 30.817 ( -0.286 0.000 2.338) 2.355 30.854 ( 1.158 0.000 -1.383) 1.804 31.729 ( 11.050 -0.000 -0.062) 11.050 31.732 ( 11.477 0.000 -0.423) 11.485 32.178 ( -4.048 0.000 2.641) 4.834 32.204 ( -2.456 0.000 0.186) 2.463 32.855 ( -0.575 0.000 0.998) 1.152 32.865 ( 0.770 -0.000 0.223) 0.801 33.001 ( -3.933 0.000 -1.689) 4.280 33.011 ( -2.846 0.000 -2.432) 3.743 ======================= Grid point 114 (45/45) ======================= q-point: (-0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 38 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.998 ( 0.000 0.000 4.668) 4.668 2.156 ( 0.000 0.000 -9.290) 9.290 2.229 ( 0.000 0.000 10.243) 10.243 2.319 ( 0.000 0.000 -0.298) 0.298 2.568 ( -0.000 0.000 5.463) 5.463 2.675 ( 0.000 0.000 2.458) 2.458 2.677 ( -0.000 0.000 -4.405) 4.405 2.685 ( 0.000 -0.000 1.871) 1.871 2.841 ( 0.000 0.000 -2.911) 2.911 2.869 ( 0.000 0.000 -4.001) 4.001 2.941 ( 0.000 0.000 2.030) 2.030 2.994 ( 0.000 0.000 -2.177) 2.177 3.178 ( 0.000 0.000 0.995) 0.995 3.191 ( 0.000 0.000 -2.157) 2.157 3.266 ( -0.000 0.000 12.403) 12.403 3.319 ( -0.000 -0.000 8.552) 8.552 3.396 ( 0.000 0.000 6.048) 6.048 3.457 ( 0.000 0.000 -0.608) 0.608 3.539 ( 0.000 0.000 -3.063) 3.063 3.578 ( -0.000 -0.000 -3.023) 3.023 3.628 ( 0.000 0.000 2.621) 2.621 3.659 ( -0.000 0.000 5.630) 5.630 3.678 ( 0.000 0.000 0.169) 0.169 3.800 ( -0.000 -0.000 4.511) 4.511 3.864 ( -0.000 0.000 11.096) 11.096 3.900 ( 0.000 0.000 9.728) 9.728 3.901 ( 0.000 0.000 -13.053) 13.053 3.993 ( -0.000 0.000 -9.644) 9.644 4.047 ( 0.000 0.000 -3.212) 3.212 4.057 ( 0.000 0.000 0.570) 0.570 4.300 ( 0.000 0.000 11.399) 11.399 4.447 ( 0.000 0.000 -6.346) 6.346 4.739 ( 0.000 0.000 6.352) 6.352 4.850 ( 0.000 0.000 -2.718) 2.718 4.921 ( -0.000 0.000 -9.198) 9.198 4.927 ( -0.000 0.000 1.484) 1.484 4.942 ( 0.000 0.000 1.659) 1.659 4.958 ( 0.000 -0.000 -9.723) 9.723 5.146 ( 0.000 0.000 7.612) 7.612 5.272 ( -0.000 0.000 9.009) 9.009 5.277 ( 0.000 0.000 1.142) 1.142 5.312 ( 0.000 -0.000 2.390) 2.390 5.382 ( 0.000 0.000 -3.553) 3.553 5.438 ( 0.000 0.000 -7.112) 7.112 5.625 ( 0.000 0.000 0.500) 0.500 5.754 ( -0.000 0.000 -9.038) 9.038 5.756 ( 0.000 0.000 1.003) 1.003 5.794 ( 0.000 0.000 -1.405) 1.405 5.946 ( 0.000 0.000 -2.540) 2.540 5.954 ( 0.000 0.000 -2.882) 2.882 6.171 ( 0.000 0.000 -1.343) 1.343 6.197 ( 0.000 -0.000 -0.746) 0.746 6.307 ( 0.000 0.000 5.711) 5.711 6.375 ( 0.000 0.000 2.398) 2.398 6.619 ( 0.000 0.000 4.459) 4.459 6.680 ( 0.000 0.000 -0.099) 0.099 6.719 ( 0.000 0.000 -1.644) 1.644 6.783 ( 0.000 0.000 -5.056) 5.056 6.840 ( 0.000 0.000 5.835) 5.835 6.864 ( 0.000 0.000 -2.183) 2.183 6.947 ( 0.000 -0.000 2.199) 2.199 7.035 ( -0.000 0.000 -5.413) 5.413 7.058 ( 0.000 0.000 4.890) 4.890 7.227 ( 0.000 0.000 -9.801) 9.801 7.406 ( 0.000 -0.000 -0.160) 0.160 7.410 ( 0.000 0.000 3.400) 3.400 7.524 ( 0.000 0.000 1.036) 1.036 7.545 ( 0.000 0.000 -0.126) 0.126 7.618 ( 0.000 0.000 1.528) 1.528 7.755 ( 0.000 0.000 -5.163) 5.163 7.939 ( 0.000 0.000 3.102) 3.102 7.977 ( 0.000 0.000 2.537) 2.537 8.020 ( 0.000 0.000 -1.231) 1.231 8.112 ( 0.000 0.000 -12.015) 12.015 8.239 ( 0.000 0.000 5.711) 5.711 8.272 ( -0.000 0.000 1.800) 1.800 8.412 ( 0.000 0.000 1.451) 1.451 8.522 ( 0.000 0.000 -8.364) 8.364 8.713 ( 0.000 0.000 1.160) 1.160 8.732 ( 0.000 0.000 0.478) 0.478 8.961 ( 0.000 0.000 5.103) 5.103 9.041 ( 0.000 0.000 -4.953) 4.953 9.267 ( -0.000 0.000 -1.891) 1.891 9.293 ( 0.000 0.000 4.761) 4.761 9.300 ( -0.000 0.000 -4.789) 4.789 9.384 ( 0.000 0.000 -1.771) 1.771 9.526 ( 0.000 0.000 7.651) 7.651 9.667 ( -0.000 0.000 -5.212) 5.212 9.792 ( 0.000 0.000 2.733) 2.733 9.815 ( -0.000 -0.000 0.178) 0.178 9.866 ( 0.000 0.000 4.398) 4.398 9.961 ( 0.000 0.000 -4.535) 4.535 10.102 ( 0.000 0.000 4.298) 4.298 10.126 ( 0.000 0.000 5.713) 5.713 10.181 ( 0.000 0.000 -2.738) 2.738 10.203 ( 0.000 0.000 -2.878) 2.878 10.345 ( 0.000 0.000 7.567) 7.567 10.448 ( 0.000 0.000 -2.785) 2.785 10.543 ( 0.000 0.000 1.940) 1.940 10.553 ( 0.000 -0.000 2.082) 2.082 10.927 ( 0.000 0.000 4.650) 4.650 10.995 ( 0.000 0.000 4.903) 4.903 11.064 ( 0.000 0.000 -7.836) 7.836 11.077 ( 0.000 0.000 -2.316) 2.316 11.209 ( 0.000 0.000 4.609) 4.609 11.355 ( 0.000 0.000 -8.416) 8.416 11.382 ( 0.000 0.000 3.312) 3.312 11.445 ( 0.000 0.000 -0.503) 0.503 11.462 ( 0.000 0.000 -4.180) 4.180 11.497 ( 0.000 0.000 -4.144) 4.144 11.842 ( 0.000 0.000 7.645) 7.645 11.933 ( 0.000 0.000 -1.173) 1.173 13.215 ( 0.000 0.000 1.016) 1.016 13.320 ( 0.000 0.000 -9.674) 9.674 13.792 ( 0.000 0.000 7.273) 7.273 13.913 ( 0.000 0.000 -5.152) 5.152 14.808 ( 0.000 0.000 1.963) 1.963 14.841 ( 0.000 0.000 5.656) 5.656 14.846 ( -0.000 0.000 -1.189) 1.189 14.940 ( 0.000 0.000 4.438) 4.438 14.971 ( 0.000 0.000 -6.739) 6.739 15.050 ( 0.000 0.000 -6.381) 6.381 15.279 ( 0.000 0.000 7.258) 7.258 15.354 ( 0.000 0.000 2.010) 2.010 15.484 ( 0.000 0.000 0.352) 0.352 15.502 ( 0.000 0.000 1.415) 1.415 15.512 ( 0.000 0.000 -1.445) 1.445 15.599 ( 0.000 0.000 -5.756) 5.756 16.002 ( 0.000 0.000 -2.347) 2.347 16.007 ( 0.000 0.000 -1.938) 1.938 16.048 ( 0.000 0.000 5.852) 5.852 16.146 ( 0.000 0.000 -3.056) 3.056 16.295 ( 0.000 0.000 7.210) 7.210 16.417 ( 0.000 0.000 -4.994) 4.994 16.638 ( 0.000 -0.000 2.809) 2.809 16.638 ( 0.000 0.000 2.032) 2.032 17.053 ( 0.000 0.000 0.725) 0.725 17.082 ( 0.000 0.000 -2.228) 2.228 17.124 ( 0.000 0.000 2.979) 2.979 17.177 ( 0.000 0.000 -2.226) 2.226 17.310 ( 0.000 0.000 1.977) 1.977 17.376 ( 0.000 0.000 -4.627) 4.627 17.565 ( 0.000 0.000 6.194) 6.194 17.653 ( 0.000 0.000 -2.210) 2.210 18.013 ( 0.000 0.000 -2.756) 2.756 18.042 ( 0.000 0.000 -5.746) 5.746 18.419 ( 0.000 0.000 2.642) 2.642 18.455 ( 0.000 0.000 -0.962) 0.962 18.668 ( 0.000 0.000 -1.429) 1.429 18.701 ( 0.000 0.000 -4.648) 4.648 19.239 ( 0.000 -0.000 3.229) 3.229 19.243 ( 0.000 0.000 2.686) 2.686 20.621 ( 0.000 0.000 2.595) 2.595 20.630 ( 0.000 0.000 1.774) 1.774 20.689 ( 0.000 -0.000 7.480) 7.480 20.739 ( 0.000 0.000 3.733) 3.733 21.771 ( 0.000 0.000 -7.073) 7.073 21.815 ( 0.000 -0.000 -10.363) 10.363 22.611 ( 0.000 0.000 2.441) 2.441 22.616 ( 0.000 -0.000 1.978) 1.978 28.005 ( 0.000 0.000 -0.039) 0.039 28.036 ( 0.000 0.000 -3.281) 3.281 28.111 ( 0.000 0.000 0.508) 0.508 28.143 ( 0.000 0.000 -3.120) 3.120 28.663 ( 0.000 0.000 3.128) 3.128 28.695 ( 0.000 0.000 -0.710) 0.710 28.762 ( 0.000 0.000 1.216) 1.216 28.769 ( 0.000 0.000 0.873) 0.873 28.849 ( 0.000 0.000 3.980) 3.980 28.854 ( 0.000 0.000 3.303) 3.303 28.908 ( 0.000 0.000 -1.881) 1.881 28.920 ( 0.000 0.000 -3.124) 3.124 29.137 ( 0.000 0.000 0.994) 0.994 29.160 ( 0.000 0.000 -1.353) 1.353 29.542 ( 0.000 0.000 11.223) 11.223 29.734 ( 0.000 0.000 -4.006) 4.006 29.907 ( 0.000 0.000 1.403) 1.403 29.949 ( 0.000 0.000 -2.275) 2.275 29.953 ( -0.000 0.000 6.445) 6.445 30.082 ( 0.000 0.000 -0.619) 0.619 30.246 ( 0.000 0.000 -5.935) 5.935 30.255 ( 0.000 -0.000 -8.326) 8.326 30.814 ( 0.000 0.000 3.073) 3.073 30.866 ( 0.000 0.000 -2.096) 2.096 31.886 ( 0.000 0.000 1.002) 1.002 31.908 ( 0.000 0.000 -1.475) 1.475 32.092 ( 0.000 0.000 4.987) 4.987 32.151 ( 0.000 0.000 -0.857) 0.857 32.850 ( 0.000 0.000 1.770) 1.770 32.912 ( -0.000 0.000 -4.105) 4.105 32.915 ( 0.000 0.000 1.941) 1.941 32.971 ( 0.000 0.000 -3.501) 3.501 =================== 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 3/30720 10.0 595.601 630.446 576.416 0.000 0.000 0.000 3/30720 20.0 85.816 91.562 99.532 0.000 0.000 0.000 3/30720 30.0 26.910 30.508 36.056 0.000 0.000 0.000 3/30720 40.0 13.394 15.582 19.039 0.000 0.000 0.000 3/30720 50.0 8.382 9.887 12.292 0.000 0.000 0.000 3/30720 60.0 5.951 7.089 8.907 0.000 0.000 0.000 3/30720 70.0 4.562 5.482 6.937 0.000 0.000 0.000 3/30720 80.0 3.679 4.458 5.670 0.000 0.000 0.000 3/30720 90.0 3.076 3.756 4.797 0.000 0.000 0.000 3/30720 100.0 2.640 3.248 4.162 0.000 0.000 0.000 3/30720 110.0 2.313 2.864 3.681 0.000 0.000 0.000 3/30720 120.0 2.058 2.564 3.305 0.000 0.000 0.000 3/30720 130.0 1.855 2.324 3.004 0.000 0.000 0.000 3/30720 140.0 1.689 2.127 2.756 0.000 0.000 0.000 3/30720 150.0 1.551 1.963 2.550 0.000 0.000 0.000 3/30720 160.0 1.434 1.824 2.375 0.000 0.000 0.000 3/30720 170.0 1.335 1.704 2.225 0.000 0.000 0.000 3/30720 180.0 1.249 1.601 2.094 0.000 0.000 0.000 3/30720 190.0 1.174 1.510 1.980 0.000 0.000 0.000 3/30720 200.0 1.108 1.430 1.879 0.000 0.000 0.000 3/30720 210.0 1.049 1.359 1.789 0.000 0.000 0.000 3/30720 220.0 0.996 1.295 1.708 0.000 0.000 0.000 3/30720 230.0 0.949 1.238 1.635 0.000 0.000 0.000 3/30720 240.0 0.907 1.186 1.568 0.000 0.000 0.000 3/30720 250.0 0.868 1.139 1.508 0.000 0.000 0.000 3/30720 260.0 0.833 1.096 1.452 0.000 0.000 0.000 3/30720 270.0 0.801 1.056 1.401 0.000 0.000 0.000 3/30720 280.0 0.771 1.019 1.354 0.000 0.000 0.000 3/30720 290.0 0.743 0.986 1.310 0.000 0.000 0.000 3/30720 300.0 0.718 0.954 1.269 0.000 0.000 0.000 3/30720 310.0 0.695 0.925 1.231 0.000 0.000 0.000 3/30720 320.0 0.673 0.898 1.195 0.000 0.000 0.000 3/30720 330.0 0.652 0.872 1.162 0.000 0.000 0.000 3/30720 340.0 0.633 0.848 1.130 0.000 0.000 0.000 3/30720 350.0 0.615 0.826 1.100 0.000 0.000 0.000 3/30720 360.0 0.598 0.804 1.072 0.000 0.000 0.000 3/30720 370.0 0.582 0.784 1.045 0.000 0.000 0.000 3/30720 380.0 0.567 0.765 1.020 0.000 0.000 0.000 3/30720 390.0 0.553 0.747 0.996 0.000 0.000 0.000 3/30720 400.0 0.539 0.730 0.973 0.000 0.000 0.000 3/30720 410.0 0.526 0.714 0.951 0.000 0.000 0.000 3/30720 420.0 0.514 0.698 0.931 0.000 0.000 0.000 3/30720 430.0 0.502 0.683 0.911 0.000 0.000 0.000 3/30720 440.0 0.491 0.669 0.892 0.000 0.000 0.000 3/30720 450.0 0.481 0.655 0.873 0.000 0.000 0.000 3/30720 460.0 0.471 0.642 0.856 0.000 0.000 0.000 3/30720 470.0 0.461 0.630 0.839 0.000 0.000 0.000 3/30720 480.0 0.452 0.618 0.823 0.000 0.000 0.000 3/30720 490.0 0.443 0.606 0.808 0.000 0.000 0.000 3/30720 500.0 0.434 0.595 0.793 0.000 0.000 0.000 3/30720 510.0 0.426 0.584 0.778 0.000 0.000 0.000 3/30720 520.0 0.418 0.574 0.764 0.000 0.000 0.000 3/30720 530.0 0.410 0.564 0.751 0.000 0.000 0.000 3/30720 540.0 0.403 0.555 0.738 0.000 0.000 0.000 3/30720 550.0 0.396 0.545 0.726 0.000 0.000 0.000 3/30720 560.0 0.389 0.536 0.714 0.000 0.000 0.000 3/30720 570.0 0.383 0.528 0.702 0.000 0.000 0.000 3/30720 580.0 0.376 0.519 0.691 0.000 0.000 0.000 3/30720 590.0 0.370 0.511 0.680 0.000 0.000 0.000 3/30720 600.0 0.364 0.503 0.669 0.000 0.000 0.000 3/30720 610.0 0.359 0.496 0.659 0.000 0.000 0.000 3/30720 620.0 0.353 0.488 0.649 0.000 0.000 0.000 3/30720 630.0 0.348 0.481 0.639 0.000 0.000 0.000 3/30720 640.0 0.342 0.474 0.630 0.000 0.000 0.000 3/30720 650.0 0.337 0.467 0.621 0.000 0.000 0.000 3/30720 660.0 0.332 0.461 0.612 0.000 0.000 0.000 3/30720 670.0 0.328 0.454 0.603 0.000 0.000 0.000 3/30720 680.0 0.323 0.448 0.595 0.000 0.000 0.000 3/30720 690.0 0.318 0.442 0.587 0.000 0.000 0.000 3/30720 700.0 0.314 0.436 0.579 0.000 0.000 0.000 3/30720 710.0 0.310 0.430 0.571 0.000 0.000 0.000 3/30720 720.0 0.306 0.425 0.564 0.000 0.000 0.000 3/30720 730.0 0.302 0.419 0.556 0.000 0.000 0.000 3/30720 740.0 0.298 0.414 0.549 0.000 0.000 0.000 3/30720 750.0 0.294 0.409 0.542 0.000 0.000 0.000 3/30720 760.0 0.290 0.404 0.535 0.000 0.000 0.000 3/30720 770.0 0.286 0.399 0.529 0.000 0.000 0.000 3/30720 780.0 0.283 0.394 0.522 0.000 0.000 0.000 3/30720 790.0 0.279 0.389 0.516 0.000 0.000 0.000 3/30720 800.0 0.276 0.385 0.510 0.000 0.000 0.000 3/30720 810.0 0.273 0.380 0.504 0.000 0.000 0.000 3/30720 820.0 0.269 0.376 0.498 0.000 0.000 0.000 3/30720 830.0 0.266 0.372 0.492 0.000 0.000 0.000 3/30720 840.0 0.263 0.367 0.487 0.000 0.000 0.000 3/30720 850.0 0.260 0.363 0.481 0.000 0.000 0.000 3/30720 860.0 0.257 0.359 0.476 0.000 0.000 0.000 3/30720 870.0 0.254 0.355 0.471 0.000 0.000 0.000 3/30720 880.0 0.252 0.351 0.465 0.000 0.000 0.000 3/30720 890.0 0.249 0.348 0.460 0.000 0.000 0.000 3/30720 900.0 0.246 0.344 0.456 0.000 0.000 0.000 3/30720 910.0 0.244 0.340 0.451 0.000 0.000 0.000 3/30720 920.0 0.241 0.337 0.446 0.000 0.000 0.000 3/30720 930.0 0.238 0.333 0.441 0.000 0.000 0.000 3/30720 940.0 0.236 0.330 0.437 0.000 0.000 0.000 3/30720 950.0 0.234 0.327 0.432 0.000 0.000 0.000 3/30720 960.0 0.231 0.324 0.428 0.000 0.000 0.000 3/30720 970.0 0.229 0.320 0.424 0.000 0.000 0.000 3/30720 980.0 0.227 0.317 0.420 0.000 0.000 0.000 3/30720 990.0 0.224 0.314 0.416 0.000 0.000 0.000 3/30720 1000.0 0.222 0.311 0.412 0.000 0.000 0.000 3/30720 Thermal conductivity related properties were written into "kappa-m485.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 01:10:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|