----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 00:01:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 3] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.413745160647802 -3.206443795000000 0.000000000000000 b 5.413745160647802 3.206443795000000 0.000000000000000 c -1.948140827659969 0.000000000000000 4.457860258042572 Atomic positions (fractional): *1 Li 0.34311550824591 0.65688449175409 0.25000000000000 6.941 2 Li 0.65688449175409 0.34311550824591 0.75000000000000 6.941 *3 Au 0.00000000000000 0.50000000000000 0.50000000000000 196.967 4 Au 0.50000000000000 0.00000000000000 0.00000000000000 196.967 *5 F 0.03223599586325 0.71533596483891 0.32738538807555 18.998 6 F 0.71533596483891 0.03223599586325 0.82738538807555 18.998 *7 F 0.48918796876169 0.29088407345975 0.31882379420119 18.998 8 F 0.29088407345975 0.48918796876169 0.81882379420119 18.998 9 F 0.51081203123831 0.70911592654025 0.68117620579881 18.998 10 F 0.70911592654025 0.51081203123831 0.18117620579881 18.998 11 F 0.96776400413675 0.28466403516109 0.67261461192445 18.998 12 F 0.28466403516109 0.96776400413675 0.17261461192445 18.998 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.827490321295604 0.000000000000000 0.000000000000000 b 0.000000000000000 6.412887590000000 0.000000000000000 c -1.948140827659969 0.000000000000000 4.457860258042572 Atomic positions (fractional): *1 Li 0.50000000000000 0.15688449175409 0.25000000000000 6.941 > 1 2 Li 0.50000000000000 0.84311550824591 0.75000000000000 6.941 > 2 3 Li 0.00000000000000 0.65688449175409 0.25000000000000 6.941 > 1 4 Li 0.00000000000000 0.34311550824591 0.75000000000000 6.941 > 2 *5 Au 0.75000000000000 0.75000000000000 0.50000000000000 196.967 > 3 6 Au 0.75000000000000 0.25000000000000 0.00000000000000 196.967 > 4 7 Au 0.25000000000000 0.25000000000000 0.50000000000000 196.967 > 3 8 Au 0.25000000000000 0.75000000000000 0.00000000000000 196.967 > 4 *9 F 0.37378598035108 0.34154998448783 0.32738538807555 18.998 > 5 10 F 0.37378598035108 0.65845001551217 0.82738538807555 18.998 > 6 *11 F 0.39003602111072 0.90084805234903 0.31882379420119 18.998 > 7 12 F 0.39003602111072 0.09915194765097 0.81882379420119 18.998 > 8 13 F 0.60996397888928 0.09915194765097 0.68117620579881 18.998 > 9 14 F 0.60996397888928 0.90084805234903 0.18117620579881 18.998 > 10 15 F 0.62621401964892 0.65845001551217 0.67261461192445 18.998 > 11 16 F 0.62621401964892 0.34154998448783 0.17261461192445 18.998 > 12 17 F 0.87378598035108 0.84154998448783 0.32738538807555 18.998 > 5 18 F 0.87378598035108 0.15845001551217 0.82738538807555 18.998 > 6 19 F 0.89003602111072 0.40084805234903 0.31882379420119 18.998 > 7 20 F 0.89003602111072 0.59915194765097 0.81882379420119 18.998 > 8 21 F 0.10996397888928 0.59915194765097 0.68117620579881 18.998 > 9 22 F 0.10996397888928 0.40084805234903 0.18117620579881 18.998 > 10 23 F 0.12621401964892 0.15845001551217 0.67261461192445 18.998 > 11 24 F 0.12621401964892 0.84154998448783 0.17261461192445 18.998 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.827490321295604 0.000000000000000 0.000000000000000 b 0.000000000000000 12.825775180000001 0.000000000000000 c -5.844422482979907 0.000000000000000 13.373580774127717 Atomic positions (fractional): *1 Li 0.50000000000000 0.07844224587704 0.08333333333333 6.941 > 1 2 Li 0.50000000000000 0.57844224587704 0.08333333333333 6.941 > 1 3 Li 0.50000000000000 0.07844224587704 0.41666666666667 6.941 > 1 4 Li 0.50000000000000 0.57844224587704 0.41666666666667 6.941 > 1 5 Li 0.50000000000000 0.07844224587704 0.75000000000000 6.941 > 1 6 Li 0.50000000000000 0.57844224587704 0.75000000000000 6.941 > 1 7 Li 0.50000000000000 0.42155775412296 0.25000000000000 6.941 > 2 8 Li 0.50000000000000 0.92155775412296 0.25000000000000 6.941 > 2 9 Li 0.50000000000000 0.42155775412296 0.58333333333333 6.941 > 2 10 Li 0.50000000000000 0.92155775412296 0.58333333333333 6.941 > 2 11 Li 0.50000000000000 0.42155775412296 0.91666666666667 6.941 > 2 12 Li 0.50000000000000 0.92155775412296 0.91666666666667 6.941 > 2 13 Li 0.00000000000000 0.32844224587704 0.08333333333333 6.941 > 1 14 Li 0.00000000000000 0.82844224587704 0.08333333333333 6.941 > 1 15 Li 0.00000000000000 0.32844224587704 0.41666666666667 6.941 > 1 16 Li 0.00000000000000 0.82844224587704 0.41666666666667 6.941 > 1 17 Li 0.00000000000000 0.32844224587704 0.75000000000000 6.941 > 1 18 Li 0.00000000000000 0.82844224587704 0.75000000000000 6.941 > 1 19 Li 0.00000000000000 0.17155775412296 0.25000000000000 6.941 > 2 20 Li 0.00000000000000 0.67155775412296 0.25000000000000 6.941 > 2 21 Li 0.00000000000000 0.17155775412296 0.58333333333333 6.941 > 2 22 Li 0.00000000000000 0.67155775412296 0.58333333333333 6.941 > 2 23 Li 0.00000000000000 0.17155775412296 0.91666666666667 6.941 > 2 24 Li 0.00000000000000 0.67155775412296 0.91666666666667 6.941 > 2 *25 Au 0.75000000000000 0.37500000000000 0.16666666666667 196.967 > 3 26 Au 0.75000000000000 0.87500000000000 0.16666666666667 196.967 > 3 27 Au 0.75000000000000 0.37500000000000 0.50000000000000 196.967 > 3 28 Au 0.75000000000000 0.87500000000000 0.50000000000000 196.967 > 3 29 Au 0.75000000000000 0.37500000000000 0.83333333333333 196.967 > 3 30 Au 0.75000000000000 0.87500000000000 0.83333333333333 196.967 > 3 31 Au 0.75000000000000 0.12500000000000 0.00000000000000 196.967 > 4 32 Au 0.75000000000000 0.62500000000000 0.00000000000000 196.967 > 4 33 Au 0.75000000000000 0.12500000000000 0.33333333333333 196.967 > 4 34 Au 0.75000000000000 0.62500000000000 0.33333333333333 196.967 > 4 35 Au 0.75000000000000 0.12500000000000 0.66666666666667 196.967 > 4 36 Au 0.75000000000000 0.62500000000000 0.66666666666667 196.967 > 4 37 Au 0.25000000000000 0.12500000000000 0.16666666666667 196.967 > 3 38 Au 0.25000000000000 0.62500000000000 0.16666666666667 196.967 > 3 39 Au 0.25000000000000 0.12500000000000 0.50000000000000 196.967 > 3 40 Au 0.25000000000000 0.62500000000000 0.50000000000000 196.967 > 3 41 Au 0.25000000000000 0.12500000000000 0.83333333333333 196.967 > 3 42 Au 0.25000000000000 0.62500000000000 0.83333333333333 196.967 > 3 43 Au 0.25000000000000 0.37500000000000 0.00000000000000 196.967 > 4 44 Au 0.25000000000000 0.87500000000000 0.00000000000000 196.967 > 4 45 Au 0.25000000000000 0.37500000000000 0.33333333333333 196.967 > 4 46 Au 0.25000000000000 0.87500000000000 0.33333333333333 196.967 > 4 47 Au 0.25000000000000 0.37500000000000 0.66666666666667 196.967 > 4 48 Au 0.25000000000000 0.87500000000000 0.66666666666667 196.967 > 4 *49 F 0.37378598035108 0.17077499224392 0.10912846269185 18.998 > 5 50 F 0.37378598035108 0.67077499224392 0.10912846269185 18.998 > 5 51 F 0.37378598035108 0.17077499224392 0.44246179602518 18.998 > 5 52 F 0.37378598035108 0.67077499224392 0.44246179602518 18.998 > 5 53 F 0.37378598035108 0.17077499224392 0.77579512935852 18.998 > 5 54 F 0.37378598035108 0.67077499224392 0.77579512935852 18.998 > 5 55 F 0.37378598035108 0.32922500775608 0.27579512935852 18.998 > 6 56 F 0.37378598035108 0.82922500775608 0.27579512935852 18.998 > 6 57 F 0.37378598035108 0.32922500775608 0.60912846269185 18.998 > 6 58 F 0.37378598035108 0.82922500775608 0.60912846269185 18.998 > 6 59 F 0.37378598035108 0.32922500775608 0.94246179602518 18.998 > 6 60 F 0.37378598035108 0.82922500775608 0.94246179602518 18.998 > 6 *61 F 0.39003602111072 0.45042402617451 0.10627459806706 18.998 > 7 62 F 0.39003602111072 0.95042402617451 0.10627459806706 18.998 > 7 63 F 0.39003602111072 0.45042402617451 0.43960793140040 18.998 > 7 64 F 0.39003602111072 0.95042402617451 0.43960793140040 18.998 > 7 65 F 0.39003602111072 0.45042402617451 0.77294126473373 18.998 > 7 66 F 0.39003602111072 0.95042402617451 0.77294126473373 18.998 > 7 67 F 0.39003602111072 0.04957597382549 0.27294126473373 18.998 > 8 68 F 0.39003602111072 0.54957597382548 0.27294126473373 18.998 > 8 69 F 0.39003602111072 0.04957597382549 0.60627459806706 18.998 > 8 70 F 0.39003602111072 0.54957597382548 0.60627459806706 18.998 > 8 71 F 0.39003602111072 0.04957597382549 0.93960793140040 18.998 > 8 72 F 0.39003602111072 0.54957597382548 0.93960793140040 18.998 > 8 73 F 0.60996397888928 0.04957597382549 0.22705873526627 18.998 > 9 74 F 0.60996397888928 0.54957597382548 0.22705873526627 18.998 > 9 75 F 0.60996397888928 0.04957597382549 0.56039206859960 18.998 > 9 76 F 0.60996397888928 0.54957597382548 0.56039206859960 18.998 > 9 77 F 0.60996397888928 0.04957597382549 0.89372540193294 18.998 > 9 78 F 0.60996397888928 0.54957597382548 0.89372540193294 18.998 > 9 79 F 0.60996397888928 0.45042402617451 0.06039206859960 18.998 > 10 80 F 0.60996397888928 0.95042402617451 0.06039206859960 18.998 > 10 81 F 0.60996397888928 0.45042402617451 0.39372540193294 18.998 > 10 82 F 0.60996397888928 0.95042402617451 0.39372540193294 18.998 > 10 83 F 0.60996397888928 0.45042402617451 0.72705873526627 18.998 > 10 84 F 0.60996397888928 0.95042402617451 0.72705873526627 18.998 > 10 85 F 0.62621401964892 0.32922500775608 0.22420487064148 18.998 > 11 86 F 0.62621401964892 0.82922500775608 0.22420487064148 18.998 > 11 87 F 0.62621401964892 0.32922500775608 0.55753820397482 18.998 > 11 88 F 0.62621401964892 0.82922500775608 0.55753820397482 18.998 > 11 89 F 0.62621401964892 0.32922500775608 0.89087153730815 18.998 > 11 90 F 0.62621401964892 0.82922500775608 0.89087153730815 18.998 > 11 91 F 0.62621401964892 0.17077499224392 0.05753820397482 18.998 > 12 92 F 0.62621401964892 0.67077499224392 0.05753820397482 18.998 > 12 93 F 0.62621401964892 0.17077499224392 0.39087153730815 18.998 > 12 94 F 0.62621401964892 0.67077499224392 0.39087153730815 18.998 > 12 95 F 0.62621401964892 0.17077499224392 0.72420487064148 18.998 > 12 96 F 0.62621401964892 0.67077499224392 0.72420487064148 18.998 > 12 97 F 0.87378598035108 0.42077499224392 0.10912846269185 18.998 > 5 98 F 0.87378598035108 0.92077499224392 0.10912846269185 18.998 > 5 99 F 0.87378598035108 0.42077499224392 0.44246179602518 18.998 > 5 100 F 0.87378598035108 0.92077499224392 0.44246179602518 18.998 > 5 101 F 0.87378598035108 0.42077499224392 0.77579512935852 18.998 > 5 102 F 0.87378598035108 0.92077499224392 0.77579512935852 18.998 > 5 103 F 0.87378598035108 0.07922500775609 0.27579512935852 18.998 > 6 104 F 0.87378598035108 0.57922500775608 0.27579512935852 18.998 > 6 105 F 0.87378598035108 0.07922500775609 0.60912846269185 18.998 > 6 106 F 0.87378598035108 0.57922500775608 0.60912846269185 18.998 > 6 107 F 0.87378598035108 0.07922500775609 0.94246179602518 18.998 > 6 108 F 0.87378598035108 0.57922500775608 0.94246179602518 18.998 > 6 109 F 0.89003602111072 0.20042402617451 0.10627459806706 18.998 > 7 110 F 0.89003602111072 0.70042402617451 0.10627459806706 18.998 > 7 111 F 0.89003602111072 0.20042402617451 0.43960793140040 18.998 > 7 112 F 0.89003602111072 0.70042402617451 0.43960793140040 18.998 > 7 113 F 0.89003602111072 0.20042402617451 0.77294126473373 18.998 > 7 114 F 0.89003602111072 0.70042402617451 0.77294126473373 18.998 > 7 115 F 0.89003602111072 0.29957597382549 0.27294126473373 18.998 > 8 116 F 0.89003602111072 0.79957597382549 0.27294126473373 18.998 > 8 117 F 0.89003602111072 0.29957597382549 0.60627459806706 18.998 > 8 118 F 0.89003602111072 0.79957597382549 0.60627459806706 18.998 > 8 119 F 0.89003602111072 0.29957597382549 0.93960793140040 18.998 > 8 120 F 0.89003602111072 0.79957597382549 0.93960793140040 18.998 > 8 121 F 0.10996397888928 0.29957597382549 0.22705873526627 18.998 > 9 122 F 0.10996397888928 0.79957597382549 0.22705873526627 18.998 > 9 123 F 0.10996397888928 0.29957597382549 0.56039206859960 18.998 > 9 124 F 0.10996397888928 0.79957597382549 0.56039206859960 18.998 > 9 125 F 0.10996397888928 0.29957597382549 0.89372540193294 18.998 > 9 126 F 0.10996397888928 0.79957597382549 0.89372540193294 18.998 > 9 127 F 0.10996397888928 0.20042402617451 0.06039206859960 18.998 > 10 128 F 0.10996397888928 0.70042402617451 0.06039206859960 18.998 > 10 129 F 0.10996397888928 0.20042402617451 0.39372540193294 18.998 > 10 130 F 0.10996397888928 0.70042402617451 0.39372540193294 18.998 > 10 131 F 0.10996397888928 0.20042402617451 0.72705873526627 18.998 > 10 132 F 0.10996397888928 0.70042402617451 0.72705873526627 18.998 > 10 133 F 0.12621401964892 0.07922500775609 0.22420487064148 18.998 > 11 134 F 0.12621401964892 0.57922500775608 0.22420487064148 18.998 > 11 135 F 0.12621401964892 0.07922500775609 0.55753820397482 18.998 > 11 136 F 0.12621401964892 0.57922500775608 0.55753820397482 18.998 > 11 137 F 0.12621401964892 0.07922500775609 0.89087153730815 18.998 > 11 138 F 0.12621401964892 0.57922500775608 0.89087153730815 18.998 > 11 139 F 0.12621401964892 0.42077499224392 0.05753820397482 18.998 > 12 140 F 0.12621401964892 0.92077499224392 0.05753820397482 18.998 > 12 141 F 0.12621401964892 0.42077499224392 0.39087153730815 18.998 > 12 142 F 0.12621401964892 0.92077499224392 0.39087153730815 18.998 > 12 143 F 0.12621401964892 0.42077499224392 0.72420487064148 18.998 > 12 144 F 0.12621401964892 0.92077499224392 0.72420487064148 18.998 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7737963 0.0000000 -0.0242588 0.0000000 2.4819613 0.0000000 -0.0242589 0.0000000 2.6992583 -------------------------- Born effective charges -------------------------- 1 Li 1.4825722 0.0000000 0.0991154 0.0000000 1.0077784 0.0000000 0.0647815 0.0000000 1.3054881 2 Li 1.4825722 0.0000000 0.0991154 0.0000000 1.0077784 0.0000000 0.0647815 0.0000000 1.3054881 3 Au 2.3594910 -0.0859631 -0.0926830 -0.0704943 1.8055583 -0.8333801 -0.1640181 -0.6679191 2.2305933 4 Au 2.3594910 0.0859631 -0.0926830 0.0704943 1.8055583 0.8333801 -0.1640181 0.6679191 2.2305933 5 F -1.2252143 -0.0881592 0.3691901 -0.1787601 -0.6050525 0.1491112 0.4224670 0.1058562 -0.6140965 6 F -1.2252143 0.0881592 0.3691901 0.1787601 -0.6050525 -0.1491112 0.4224670 -0.1058562 -0.6140965 7 F -0.6958172 -0.2368508 -0.3724063 -0.2721168 -0.8016158 -0.4465078 -0.3728487 -0.3869245 -1.1539442 8 F -0.6958172 0.2368508 -0.3724063 0.2721168 -0.8016158 0.4465078 -0.3728487 0.3869245 -1.1539442 9 F -0.6958172 -0.2368508 -0.3724063 -0.2721168 -0.8016158 -0.4465078 -0.3728487 -0.3869245 -1.1539442 10 F -0.6958172 0.2368508 -0.3724063 0.2721168 -0.8016158 0.4465078 -0.3728487 0.3869245 -1.1539442 11 F -1.2252143 -0.0881592 0.3691901 -0.1787601 -0.6050525 0.1491112 0.4224670 0.1058562 -0.6140965 12 F -1.2252143 0.0881592 0.3691901 0.1787601 -0.6050525 -0.1491112 0.4224670 -0.1058562 -0.6140965 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 9972/9972 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2063 Number of blocks in projector: 2063 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: 438 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 430 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 430 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 255 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 255 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 255 Use standard eigh solver. Tree of FC basis block matrices: - (2063, 2032), data: False |-- (255, 251), data: True |-- (255, 251), data: True |-- (255, 251), data: True |-- (430, 424), data: True |-- (430, 424), data: True |-- (438, 431), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.017 Solver_block: 100 / 400 - Time: 1.559 Solver_block: 200 / 400 - Time: 1.235 Solver_block: 300 / 400 - Time: 1.491 Solver_block: 400 / 400 - Time: 1.395 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.194 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 432/432 Permutation basis: 9972/9972 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2063 Number of blocks in projector: 2063 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: 438 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 430 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 430 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 255 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 255 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 255 Use standard eigh solver. Tree of FC basis block matrices: - (2063, 2032), data: False |-- (255, 251), data: True |-- (255, 251), data: True |-- (255, 251), data: True |-- (430, 424), data: True |-- (430, 424), data: True |-- (438, 431), 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 00:02:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:02:38]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 3] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.413745160647802 -3.206443795000000 0.000000000000000 b 5.413745160647802 3.206443795000000 0.000000000000000 c -1.948140827659969 0.000000000000000 4.457860258042572 Atomic positions (fractional): 1 Li 0.34311550824591 0.65688449175409 0.25000000000000 6.941 2 Li 0.65688449175409 0.34311550824591 0.75000000000000 6.941 3 Au 0.00000000000000 0.50000000000000 0.50000000000000 196.967 4 Au 0.50000000000000 0.00000000000000 0.00000000000000 196.967 5 F 0.03223599586325 0.71533596483891 0.32738538807555 18.998 6 F 0.71533596483891 0.03223599586325 0.82738538807555 18.998 7 F 0.48918796876169 0.29088407345975 0.31882379420119 18.998 8 F 0.29088407345975 0.48918796876169 0.81882379420119 18.998 9 F 0.51081203123831 0.70911592654025 0.68117620579881 18.998 10 F 0.70911592654025 0.51081203123831 0.18117620579881 18.998 11 F 0.96776400413675 0.28466403516109 0.67261461192445 18.998 12 F 0.28466403516109 0.96776400413675 0.17261461192445 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.827490321295604 0.000000000000000 0.000000000000000 b 0.000000000000000 12.825775180000001 0.000000000000000 c -5.844422482979907 0.000000000000000 13.373580774127717 Atomic positions (fractional): 1 Li 0.50000000000000 0.07844224587704 0.08333333333333 6.941 > 1 2 Li 0.50000000000000 0.57844224587704 0.08333333333333 6.941 > 1 3 Li 0.50000000000000 0.07844224587704 0.41666666666667 6.941 > 1 4 Li 0.50000000000000 0.57844224587704 0.41666666666667 6.941 > 1 5 Li 0.50000000000000 0.07844224587704 0.75000000000000 6.941 > 1 6 Li 0.50000000000000 0.57844224587704 0.75000000000000 6.941 > 1 7 Li 0.50000000000000 0.42155775412296 0.25000000000000 6.941 > 7 8 Li 0.50000000000000 0.92155775412296 0.25000000000000 6.941 > 7 9 Li 0.50000000000000 0.42155775412296 0.58333333333333 6.941 > 7 10 Li 0.50000000000000 0.92155775412296 0.58333333333333 6.941 > 7 11 Li 0.50000000000000 0.42155775412296 0.91666666666667 6.941 > 7 12 Li 0.50000000000000 0.92155775412296 0.91666666666667 6.941 > 7 13 Li 0.00000000000000 0.32844224587704 0.08333333333333 6.941 > 1 14 Li 0.00000000000000 0.82844224587704 0.08333333333333 6.941 > 1 15 Li 0.00000000000000 0.32844224587704 0.41666666666667 6.941 > 1 16 Li 0.00000000000000 0.82844224587704 0.41666666666667 6.941 > 1 17 Li 0.00000000000000 0.32844224587704 0.75000000000000 6.941 > 1 18 Li 0.00000000000000 0.82844224587704 0.75000000000000 6.941 > 1 19 Li 0.00000000000000 0.17155775412296 0.25000000000000 6.941 > 7 20 Li 0.00000000000000 0.67155775412296 0.25000000000000 6.941 > 7 21 Li 0.00000000000000 0.17155775412296 0.58333333333333 6.941 > 7 22 Li 0.00000000000000 0.67155775412296 0.58333333333333 6.941 > 7 23 Li 0.00000000000000 0.17155775412296 0.91666666666667 6.941 > 7 24 Li 0.00000000000000 0.67155775412296 0.91666666666667 6.941 > 7 25 Au 0.75000000000000 0.37500000000000 0.16666666666667 196.967 > 25 26 Au 0.75000000000000 0.87500000000000 0.16666666666667 196.967 > 25 27 Au 0.75000000000000 0.37500000000000 0.50000000000000 196.967 > 25 28 Au 0.75000000000000 0.87500000000000 0.50000000000000 196.967 > 25 29 Au 0.75000000000000 0.37500000000000 0.83333333333333 196.967 > 25 30 Au 0.75000000000000 0.87500000000000 0.83333333333333 196.967 > 25 31 Au 0.75000000000000 0.12500000000000 0.00000000000000 196.967 > 31 32 Au 0.75000000000000 0.62500000000000 0.00000000000000 196.967 > 31 33 Au 0.75000000000000 0.12500000000000 0.33333333333333 196.967 > 31 34 Au 0.75000000000000 0.62500000000000 0.33333333333333 196.967 > 31 35 Au 0.75000000000000 0.12500000000000 0.66666666666667 196.967 > 31 36 Au 0.75000000000000 0.62500000000000 0.66666666666667 196.967 > 31 37 Au 0.25000000000000 0.12500000000000 0.16666666666667 196.967 > 25 38 Au 0.25000000000000 0.62500000000000 0.16666666666667 196.967 > 25 39 Au 0.25000000000000 0.12500000000000 0.50000000000000 196.967 > 25 40 Au 0.25000000000000 0.62500000000000 0.50000000000000 196.967 > 25 41 Au 0.25000000000000 0.12500000000000 0.83333333333333 196.967 > 25 42 Au 0.25000000000000 0.62500000000000 0.83333333333333 196.967 > 25 43 Au 0.25000000000000 0.37500000000000 0.00000000000000 196.967 > 31 44 Au 0.25000000000000 0.87500000000000 0.00000000000000 196.967 > 31 45 Au 0.25000000000000 0.37500000000000 0.33333333333333 196.967 > 31 46 Au 0.25000000000000 0.87500000000000 0.33333333333333 196.967 > 31 47 Au 0.25000000000000 0.37500000000000 0.66666666666667 196.967 > 31 48 Au 0.25000000000000 0.87500000000000 0.66666666666667 196.967 > 31 49 F 0.37378598035108 0.17077499224392 0.10912846269185 18.998 > 49 50 F 0.37378598035108 0.67077499224392 0.10912846269185 18.998 > 49 51 F 0.37378598035108 0.17077499224392 0.44246179602518 18.998 > 49 52 F 0.37378598035108 0.67077499224392 0.44246179602518 18.998 > 49 53 F 0.37378598035108 0.17077499224392 0.77579512935852 18.998 > 49 54 F 0.37378598035108 0.67077499224392 0.77579512935852 18.998 > 49 55 F 0.37378598035108 0.32922500775608 0.27579512935852 18.998 > 55 56 F 0.37378598035108 0.82922500775608 0.27579512935852 18.998 > 55 57 F 0.37378598035108 0.32922500775608 0.60912846269185 18.998 > 55 58 F 0.37378598035108 0.82922500775608 0.60912846269185 18.998 > 55 59 F 0.37378598035108 0.32922500775608 0.94246179602518 18.998 > 55 60 F 0.37378598035108 0.82922500775608 0.94246179602518 18.998 > 55 61 F 0.39003602111072 0.45042402617451 0.10627459806706 18.998 > 61 62 F 0.39003602111072 0.95042402617451 0.10627459806706 18.998 > 61 63 F 0.39003602111072 0.45042402617451 0.43960793140040 18.998 > 61 64 F 0.39003602111072 0.95042402617451 0.43960793140040 18.998 > 61 65 F 0.39003602111072 0.45042402617451 0.77294126473373 18.998 > 61 66 F 0.39003602111072 0.95042402617451 0.77294126473373 18.998 > 61 67 F 0.39003602111072 0.04957597382549 0.27294126473373 18.998 > 67 68 F 0.39003602111072 0.54957597382548 0.27294126473373 18.998 > 67 69 F 0.39003602111072 0.04957597382549 0.60627459806706 18.998 > 67 70 F 0.39003602111072 0.54957597382548 0.60627459806706 18.998 > 67 71 F 0.39003602111072 0.04957597382549 0.93960793140040 18.998 > 67 72 F 0.39003602111072 0.54957597382548 0.93960793140040 18.998 > 67 73 F 0.60996397888928 0.04957597382549 0.22705873526627 18.998 > 73 74 F 0.60996397888928 0.54957597382548 0.22705873526627 18.998 > 73 75 F 0.60996397888928 0.04957597382549 0.56039206859960 18.998 > 73 76 F 0.60996397888928 0.54957597382548 0.56039206859960 18.998 > 73 77 F 0.60996397888928 0.04957597382549 0.89372540193294 18.998 > 73 78 F 0.60996397888928 0.54957597382548 0.89372540193294 18.998 > 73 79 F 0.60996397888928 0.45042402617451 0.06039206859960 18.998 > 79 80 F 0.60996397888928 0.95042402617451 0.06039206859960 18.998 > 79 81 F 0.60996397888928 0.45042402617451 0.39372540193294 18.998 > 79 82 F 0.60996397888928 0.95042402617451 0.39372540193294 18.998 > 79 83 F 0.60996397888928 0.45042402617451 0.72705873526627 18.998 > 79 84 F 0.60996397888928 0.95042402617451 0.72705873526627 18.998 > 79 85 F 0.62621401964892 0.32922500775608 0.22420487064148 18.998 > 85 86 F 0.62621401964892 0.82922500775608 0.22420487064148 18.998 > 85 87 F 0.62621401964892 0.32922500775608 0.55753820397482 18.998 > 85 88 F 0.62621401964892 0.82922500775608 0.55753820397482 18.998 > 85 89 F 0.62621401964892 0.32922500775608 0.89087153730815 18.998 > 85 90 F 0.62621401964892 0.82922500775608 0.89087153730815 18.998 > 85 91 F 0.62621401964892 0.17077499224392 0.05753820397482 18.998 > 91 92 F 0.62621401964892 0.67077499224392 0.05753820397482 18.998 > 91 93 F 0.62621401964892 0.17077499224392 0.39087153730815 18.998 > 91 94 F 0.62621401964892 0.67077499224392 0.39087153730815 18.998 > 91 95 F 0.62621401964892 0.17077499224392 0.72420487064148 18.998 > 91 96 F 0.62621401964892 0.67077499224392 0.72420487064148 18.998 > 91 97 F 0.87378598035108 0.42077499224392 0.10912846269185 18.998 > 49 98 F 0.87378598035108 0.92077499224392 0.10912846269185 18.998 > 49 99 F 0.87378598035108 0.42077499224392 0.44246179602518 18.998 > 49 100 F 0.87378598035108 0.92077499224392 0.44246179602518 18.998 > 49 101 F 0.87378598035108 0.42077499224392 0.77579512935852 18.998 > 49 102 F 0.87378598035108 0.92077499224392 0.77579512935852 18.998 > 49 103 F 0.87378598035108 0.07922500775609 0.27579512935852 18.998 > 55 104 F 0.87378598035108 0.57922500775608 0.27579512935852 18.998 > 55 105 F 0.87378598035108 0.07922500775609 0.60912846269185 18.998 > 55 106 F 0.87378598035108 0.57922500775608 0.60912846269185 18.998 > 55 107 F 0.87378598035108 0.07922500775609 0.94246179602518 18.998 > 55 108 F 0.87378598035108 0.57922500775608 0.94246179602518 18.998 > 55 109 F 0.89003602111072 0.20042402617451 0.10627459806706 18.998 > 61 110 F 0.89003602111072 0.70042402617451 0.10627459806706 18.998 > 61 111 F 0.89003602111072 0.20042402617451 0.43960793140040 18.998 > 61 112 F 0.89003602111072 0.70042402617451 0.43960793140040 18.998 > 61 113 F 0.89003602111072 0.20042402617451 0.77294126473373 18.998 > 61 114 F 0.89003602111072 0.70042402617451 0.77294126473373 18.998 > 61 115 F 0.89003602111072 0.29957597382549 0.27294126473373 18.998 > 67 116 F 0.89003602111072 0.79957597382549 0.27294126473373 18.998 > 67 117 F 0.89003602111072 0.29957597382549 0.60627459806706 18.998 > 67 118 F 0.89003602111072 0.79957597382549 0.60627459806706 18.998 > 67 119 F 0.89003602111072 0.29957597382549 0.93960793140040 18.998 > 67 120 F 0.89003602111072 0.79957597382549 0.93960793140040 18.998 > 67 121 F 0.10996397888928 0.29957597382549 0.22705873526627 18.998 > 73 122 F 0.10996397888928 0.79957597382549 0.22705873526627 18.998 > 73 123 F 0.10996397888928 0.29957597382549 0.56039206859960 18.998 > 73 124 F 0.10996397888928 0.79957597382549 0.56039206859960 18.998 > 73 125 F 0.10996397888928 0.29957597382549 0.89372540193294 18.998 > 73 126 F 0.10996397888928 0.79957597382549 0.89372540193294 18.998 > 73 127 F 0.10996397888928 0.20042402617451 0.06039206859960 18.998 > 79 128 F 0.10996397888928 0.70042402617451 0.06039206859960 18.998 > 79 129 F 0.10996397888928 0.20042402617451 0.39372540193294 18.998 > 79 130 F 0.10996397888928 0.70042402617451 0.39372540193294 18.998 > 79 131 F 0.10996397888928 0.20042402617451 0.72705873526627 18.998 > 79 132 F 0.10996397888928 0.70042402617451 0.72705873526627 18.998 > 79 133 F 0.12621401964892 0.07922500775609 0.22420487064148 18.998 > 85 134 F 0.12621401964892 0.57922500775608 0.22420487064148 18.998 > 85 135 F 0.12621401964892 0.07922500775609 0.55753820397482 18.998 > 85 136 F 0.12621401964892 0.57922500775608 0.55753820397482 18.998 > 85 137 F 0.12621401964892 0.07922500775609 0.89087153730815 18.998 > 85 138 F 0.12621401964892 0.57922500775608 0.89087153730815 18.998 > 85 139 F 0.12621401964892 0.42077499224392 0.05753820397482 18.998 > 91 140 F 0.12621401964892 0.92077499224392 0.05753820397482 18.998 > 91 141 F 0.12621401964892 0.42077499224392 0.39087153730815 18.998 > 91 142 F 0.12621401964892 0.92077499224392 0.39087153730815 18.998 > 91 143 F 0.12621401964892 0.42077499224392 0.72420487064148 18.998 > 91 144 F 0.12621401964892 0.92077499224392 0.72420487064148 18.998 > 91 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7737963 0.0000000 -0.0242588 0.0000000 2.4819613 0.0000000 -0.0242589 0.0000000 2.6992583 -------------------------- Born effective charges -------------------------- 1 Li 1.4825722 0.0000000 0.0991154 0.0000000 1.0077784 0.0000000 0.0647815 0.0000000 1.3054881 2 Li 1.4825722 0.0000000 0.0991154 0.0000000 1.0077784 0.0000000 0.0647815 0.0000000 1.3054881 3 Au 2.3594910 -0.0859631 -0.0926830 -0.0704943 1.8055583 -0.8333801 -0.1640181 -0.6679191 2.2305933 4 Au 2.3594910 0.0859631 -0.0926830 0.0704943 1.8055583 0.8333801 -0.1640181 0.6679191 2.2305933 5 F -1.2252143 -0.0881592 0.3691901 -0.1787601 -0.6050525 0.1491112 0.4224670 0.1058562 -0.6140965 6 F -1.2252143 0.0881592 0.3691901 0.1787601 -0.6050525 -0.1491112 0.4224670 -0.1058562 -0.6140965 7 F -0.6958172 -0.2368508 -0.3724063 -0.2721168 -0.8016158 -0.4465078 -0.3728487 -0.3869245 -1.1539442 8 F -0.6958172 0.2368508 -0.3724063 0.2721168 -0.8016158 0.4465078 -0.3728487 0.3869245 -1.1539442 9 F -0.6958172 -0.2368508 -0.3724063 -0.2721168 -0.8016158 -0.4465078 -0.3728487 -0.3869245 -1.1539442 10 F -0.6958172 0.2368508 -0.3724063 0.2721168 -0.8016158 0.4465078 -0.3728487 0.3869245 -1.1539442 11 F -1.2252143 -0.0881592 0.3691901 -0.1787601 -0.6050525 0.1491112 0.4224670 0.1058562 -0.6140965 12 F -1.2252143 0.0881592 0.3691901 0.1787601 -0.6050525 -0.1491112 0.4224670 -0.1058562 -0.6140965 ---------------------------------------------------------------------------- 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] [-0.0040 0.0000 0.0092] [ 0.0040 0.0000 -0.0092] 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] [-0.0040 0.0000 0.0092] [ 0.0040 0.0000 -0.0092] 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] [-0.0040 0.0000 0.0092] [ 0.0040 0.0000 -0.0092] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0040 0.0000 0.0092] [ 0.0040 0.0000 -0.0092] 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 (yz) 0.00000000 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:03:05]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:03:05]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 3] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.413745160647802 -3.206443795000000 0.000000000000000 b 5.413745160647802 3.206443795000000 0.000000000000000 c -1.948140827659969 0.000000000000000 4.457860258042572 Atomic positions (fractional): 1 Li 0.34311550824591 0.65688449175409 0.25000000000000 6.941 2 Li 0.65688449175409 0.34311550824591 0.75000000000000 6.941 3 Au 0.00000000000000 0.50000000000000 0.50000000000000 196.967 4 Au 0.50000000000000 0.00000000000000 0.00000000000000 196.967 5 F 0.03223599586325 0.71533596483891 0.32738538807555 18.998 6 F 0.71533596483891 0.03223599586325 0.82738538807555 18.998 7 F 0.48918796876169 0.29088407345975 0.31882379420119 18.998 8 F 0.29088407345975 0.48918796876169 0.81882379420119 18.998 9 F 0.51081203123831 0.70911592654025 0.68117620579881 18.998 10 F 0.70911592654025 0.51081203123831 0.18117620579881 18.998 11 F 0.96776400413675 0.28466403516109 0.67261461192445 18.998 12 F 0.28466403516109 0.96776400413675 0.17261461192445 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.827490321295604 0.000000000000000 0.000000000000000 b 0.000000000000000 12.825775180000001 0.000000000000000 c -5.844422482979907 0.000000000000000 13.373580774127717 Atomic positions (fractional): 1 Li 0.50000000000000 0.07844224587704 0.08333333333333 6.941 > 1 2 Li 0.50000000000000 0.57844224587704 0.08333333333333 6.941 > 1 3 Li 0.50000000000000 0.07844224587704 0.41666666666667 6.941 > 1 4 Li 0.50000000000000 0.57844224587704 0.41666666666667 6.941 > 1 5 Li 0.50000000000000 0.07844224587704 0.75000000000000 6.941 > 1 6 Li 0.50000000000000 0.57844224587704 0.75000000000000 6.941 > 1 7 Li 0.50000000000000 0.42155775412296 0.25000000000000 6.941 > 7 8 Li 0.50000000000000 0.92155775412296 0.25000000000000 6.941 > 7 9 Li 0.50000000000000 0.42155775412296 0.58333333333333 6.941 > 7 10 Li 0.50000000000000 0.92155775412296 0.58333333333333 6.941 > 7 11 Li 0.50000000000000 0.42155775412296 0.91666666666667 6.941 > 7 12 Li 0.50000000000000 0.92155775412296 0.91666666666667 6.941 > 7 13 Li 0.00000000000000 0.32844224587704 0.08333333333333 6.941 > 1 14 Li 0.00000000000000 0.82844224587704 0.08333333333333 6.941 > 1 15 Li 0.00000000000000 0.32844224587704 0.41666666666667 6.941 > 1 16 Li 0.00000000000000 0.82844224587704 0.41666666666667 6.941 > 1 17 Li 0.00000000000000 0.32844224587704 0.75000000000000 6.941 > 1 18 Li 0.00000000000000 0.82844224587704 0.75000000000000 6.941 > 1 19 Li 0.00000000000000 0.17155775412296 0.25000000000000 6.941 > 7 20 Li 0.00000000000000 0.67155775412296 0.25000000000000 6.941 > 7 21 Li 0.00000000000000 0.17155775412296 0.58333333333333 6.941 > 7 22 Li 0.00000000000000 0.67155775412296 0.58333333333333 6.941 > 7 23 Li 0.00000000000000 0.17155775412296 0.91666666666667 6.941 > 7 24 Li 0.00000000000000 0.67155775412296 0.91666666666667 6.941 > 7 25 Au 0.75000000000000 0.37500000000000 0.16666666666667 196.967 > 25 26 Au 0.75000000000000 0.87500000000000 0.16666666666667 196.967 > 25 27 Au 0.75000000000000 0.37500000000000 0.50000000000000 196.967 > 25 28 Au 0.75000000000000 0.87500000000000 0.50000000000000 196.967 > 25 29 Au 0.75000000000000 0.37500000000000 0.83333333333333 196.967 > 25 30 Au 0.75000000000000 0.87500000000000 0.83333333333333 196.967 > 25 31 Au 0.75000000000000 0.12500000000000 0.00000000000000 196.967 > 31 32 Au 0.75000000000000 0.62500000000000 0.00000000000000 196.967 > 31 33 Au 0.75000000000000 0.12500000000000 0.33333333333333 196.967 > 31 34 Au 0.75000000000000 0.62500000000000 0.33333333333333 196.967 > 31 35 Au 0.75000000000000 0.12500000000000 0.66666666666667 196.967 > 31 36 Au 0.75000000000000 0.62500000000000 0.66666666666667 196.967 > 31 37 Au 0.25000000000000 0.12500000000000 0.16666666666667 196.967 > 25 38 Au 0.25000000000000 0.62500000000000 0.16666666666667 196.967 > 25 39 Au 0.25000000000000 0.12500000000000 0.50000000000000 196.967 > 25 40 Au 0.25000000000000 0.62500000000000 0.50000000000000 196.967 > 25 41 Au 0.25000000000000 0.12500000000000 0.83333333333333 196.967 > 25 42 Au 0.25000000000000 0.62500000000000 0.83333333333333 196.967 > 25 43 Au 0.25000000000000 0.37500000000000 0.00000000000000 196.967 > 31 44 Au 0.25000000000000 0.87500000000000 0.00000000000000 196.967 > 31 45 Au 0.25000000000000 0.37500000000000 0.33333333333333 196.967 > 31 46 Au 0.25000000000000 0.87500000000000 0.33333333333333 196.967 > 31 47 Au 0.25000000000000 0.37500000000000 0.66666666666667 196.967 > 31 48 Au 0.25000000000000 0.87500000000000 0.66666666666667 196.967 > 31 49 F 0.37378598035108 0.17077499224392 0.10912846269185 18.998 > 49 50 F 0.37378598035108 0.67077499224392 0.10912846269185 18.998 > 49 51 F 0.37378598035108 0.17077499224392 0.44246179602518 18.998 > 49 52 F 0.37378598035108 0.67077499224392 0.44246179602518 18.998 > 49 53 F 0.37378598035108 0.17077499224392 0.77579512935852 18.998 > 49 54 F 0.37378598035108 0.67077499224392 0.77579512935852 18.998 > 49 55 F 0.37378598035108 0.32922500775608 0.27579512935852 18.998 > 55 56 F 0.37378598035108 0.82922500775608 0.27579512935852 18.998 > 55 57 F 0.37378598035108 0.32922500775608 0.60912846269185 18.998 > 55 58 F 0.37378598035108 0.82922500775608 0.60912846269185 18.998 > 55 59 F 0.37378598035108 0.32922500775608 0.94246179602518 18.998 > 55 60 F 0.37378598035108 0.82922500775608 0.94246179602518 18.998 > 55 61 F 0.39003602111072 0.45042402617451 0.10627459806706 18.998 > 61 62 F 0.39003602111072 0.95042402617451 0.10627459806706 18.998 > 61 63 F 0.39003602111072 0.45042402617451 0.43960793140040 18.998 > 61 64 F 0.39003602111072 0.95042402617451 0.43960793140040 18.998 > 61 65 F 0.39003602111072 0.45042402617451 0.77294126473373 18.998 > 61 66 F 0.39003602111072 0.95042402617451 0.77294126473373 18.998 > 61 67 F 0.39003602111072 0.04957597382549 0.27294126473373 18.998 > 67 68 F 0.39003602111072 0.54957597382548 0.27294126473373 18.998 > 67 69 F 0.39003602111072 0.04957597382549 0.60627459806706 18.998 > 67 70 F 0.39003602111072 0.54957597382548 0.60627459806706 18.998 > 67 71 F 0.39003602111072 0.04957597382549 0.93960793140040 18.998 > 67 72 F 0.39003602111072 0.54957597382548 0.93960793140040 18.998 > 67 73 F 0.60996397888928 0.04957597382549 0.22705873526627 18.998 > 73 74 F 0.60996397888928 0.54957597382548 0.22705873526627 18.998 > 73 75 F 0.60996397888928 0.04957597382549 0.56039206859960 18.998 > 73 76 F 0.60996397888928 0.54957597382548 0.56039206859960 18.998 > 73 77 F 0.60996397888928 0.04957597382549 0.89372540193294 18.998 > 73 78 F 0.60996397888928 0.54957597382548 0.89372540193294 18.998 > 73 79 F 0.60996397888928 0.45042402617451 0.06039206859960 18.998 > 79 80 F 0.60996397888928 0.95042402617451 0.06039206859960 18.998 > 79 81 F 0.60996397888928 0.45042402617451 0.39372540193294 18.998 > 79 82 F 0.60996397888928 0.95042402617451 0.39372540193294 18.998 > 79 83 F 0.60996397888928 0.45042402617451 0.72705873526627 18.998 > 79 84 F 0.60996397888928 0.95042402617451 0.72705873526627 18.998 > 79 85 F 0.62621401964892 0.32922500775608 0.22420487064148 18.998 > 85 86 F 0.62621401964892 0.82922500775608 0.22420487064148 18.998 > 85 87 F 0.62621401964892 0.32922500775608 0.55753820397482 18.998 > 85 88 F 0.62621401964892 0.82922500775608 0.55753820397482 18.998 > 85 89 F 0.62621401964892 0.32922500775608 0.89087153730815 18.998 > 85 90 F 0.62621401964892 0.82922500775608 0.89087153730815 18.998 > 85 91 F 0.62621401964892 0.17077499224392 0.05753820397482 18.998 > 91 92 F 0.62621401964892 0.67077499224392 0.05753820397482 18.998 > 91 93 F 0.62621401964892 0.17077499224392 0.39087153730815 18.998 > 91 94 F 0.62621401964892 0.67077499224392 0.39087153730815 18.998 > 91 95 F 0.62621401964892 0.17077499224392 0.72420487064148 18.998 > 91 96 F 0.62621401964892 0.67077499224392 0.72420487064148 18.998 > 91 97 F 0.87378598035108 0.42077499224392 0.10912846269185 18.998 > 49 98 F 0.87378598035108 0.92077499224392 0.10912846269185 18.998 > 49 99 F 0.87378598035108 0.42077499224392 0.44246179602518 18.998 > 49 100 F 0.87378598035108 0.92077499224392 0.44246179602518 18.998 > 49 101 F 0.87378598035108 0.42077499224392 0.77579512935852 18.998 > 49 102 F 0.87378598035108 0.92077499224392 0.77579512935852 18.998 > 49 103 F 0.87378598035108 0.07922500775609 0.27579512935852 18.998 > 55 104 F 0.87378598035108 0.57922500775608 0.27579512935852 18.998 > 55 105 F 0.87378598035108 0.07922500775609 0.60912846269185 18.998 > 55 106 F 0.87378598035108 0.57922500775608 0.60912846269185 18.998 > 55 107 F 0.87378598035108 0.07922500775609 0.94246179602518 18.998 > 55 108 F 0.87378598035108 0.57922500775608 0.94246179602518 18.998 > 55 109 F 0.89003602111072 0.20042402617451 0.10627459806706 18.998 > 61 110 F 0.89003602111072 0.70042402617451 0.10627459806706 18.998 > 61 111 F 0.89003602111072 0.20042402617451 0.43960793140040 18.998 > 61 112 F 0.89003602111072 0.70042402617451 0.43960793140040 18.998 > 61 113 F 0.89003602111072 0.20042402617451 0.77294126473373 18.998 > 61 114 F 0.89003602111072 0.70042402617451 0.77294126473373 18.998 > 61 115 F 0.89003602111072 0.29957597382549 0.27294126473373 18.998 > 67 116 F 0.89003602111072 0.79957597382549 0.27294126473373 18.998 > 67 117 F 0.89003602111072 0.29957597382549 0.60627459806706 18.998 > 67 118 F 0.89003602111072 0.79957597382549 0.60627459806706 18.998 > 67 119 F 0.89003602111072 0.29957597382549 0.93960793140040 18.998 > 67 120 F 0.89003602111072 0.79957597382549 0.93960793140040 18.998 > 67 121 F 0.10996397888928 0.29957597382549 0.22705873526627 18.998 > 73 122 F 0.10996397888928 0.79957597382549 0.22705873526627 18.998 > 73 123 F 0.10996397888928 0.29957597382549 0.56039206859960 18.998 > 73 124 F 0.10996397888928 0.79957597382549 0.56039206859960 18.998 > 73 125 F 0.10996397888928 0.29957597382549 0.89372540193294 18.998 > 73 126 F 0.10996397888928 0.79957597382549 0.89372540193294 18.998 > 73 127 F 0.10996397888928 0.20042402617451 0.06039206859960 18.998 > 79 128 F 0.10996397888928 0.70042402617451 0.06039206859960 18.998 > 79 129 F 0.10996397888928 0.20042402617451 0.39372540193294 18.998 > 79 130 F 0.10996397888928 0.70042402617451 0.39372540193294 18.998 > 79 131 F 0.10996397888928 0.20042402617451 0.72705873526627 18.998 > 79 132 F 0.10996397888928 0.70042402617451 0.72705873526627 18.998 > 79 133 F 0.12621401964892 0.07922500775609 0.22420487064148 18.998 > 85 134 F 0.12621401964892 0.57922500775608 0.22420487064148 18.998 > 85 135 F 0.12621401964892 0.07922500775609 0.55753820397482 18.998 > 85 136 F 0.12621401964892 0.57922500775608 0.55753820397482 18.998 > 85 137 F 0.12621401964892 0.07922500775609 0.89087153730815 18.998 > 85 138 F 0.12621401964892 0.57922500775608 0.89087153730815 18.998 > 85 139 F 0.12621401964892 0.42077499224392 0.05753820397482 18.998 > 91 140 F 0.12621401964892 0.92077499224392 0.05753820397482 18.998 > 91 141 F 0.12621401964892 0.42077499224392 0.39087153730815 18.998 > 91 142 F 0.12621401964892 0.92077499224392 0.39087153730815 18.998 > 91 143 F 0.12621401964892 0.42077499224392 0.72420487064148 18.998 > 91 144 F 0.12621401964892 0.92077499224392 0.72420487064148 18.998 > 91 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.7737963 0.0000000 -0.0242588 0.0000000 2.4819613 0.0000000 -0.0242589 0.0000000 2.6992583 -------------------------- Born effective charges -------------------------- 1 Li 1.4825722 0.0000000 0.0991154 0.0000000 1.0077784 0.0000000 0.0647815 0.0000000 1.3054881 2 Li 1.4825722 0.0000000 0.0991154 0.0000000 1.0077784 0.0000000 0.0647815 0.0000000 1.3054881 3 Au 2.3594910 -0.0859631 -0.0926830 -0.0704943 1.8055583 -0.8333801 -0.1640181 -0.6679191 2.2305933 4 Au 2.3594910 0.0859631 -0.0926830 0.0704943 1.8055583 0.8333801 -0.1640181 0.6679191 2.2305933 5 F -1.2252143 -0.0881592 0.3691901 -0.1787601 -0.6050525 0.1491112 0.4224670 0.1058562 -0.6140965 6 F -1.2252143 0.0881592 0.3691901 0.1787601 -0.6050525 -0.1491112 0.4224670 -0.1058562 -0.6140965 7 F -0.6958172 -0.2368508 -0.3724063 -0.2721168 -0.8016158 -0.4465078 -0.3728487 -0.3869245 -1.1539442 8 F -0.6958172 0.2368508 -0.3724063 0.2721168 -0.8016158 0.4465078 -0.3728487 0.3869245 -1.1539442 9 F -0.6958172 -0.2368508 -0.3724063 -0.2721168 -0.8016158 -0.4465078 -0.3728487 -0.3869245 -1.1539442 10 F -0.6958172 0.2368508 -0.3724063 0.2721168 -0.8016158 0.4465078 -0.3728487 0.3869245 -1.1539442 11 F -1.2252143 -0.0881592 0.3691901 -0.1787601 -0.6050525 0.1491112 0.4224670 0.1058562 -0.6140965 12 F -1.2252143 0.0881592 0.3691901 0.1787601 -0.6050525 -0.1491112 0.4224670 -0.1058562 -0.6140965 ---------------------------------------------------------------------------- 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 ... [ 9 9 11 ] 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: 0.77, Number of G-points: 289, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/250) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 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 2.027 ( 0.000 0.000 0.000) 0.000 2.422 ( 0.000 0.000 0.000) 0.000 2.526 ( 0.000 0.000 0.000) 0.000 2.684 ( 0.000 0.000 0.000) 0.000 2.948 ( 0.000 0.000 0.000) 0.000 3.573 ( 0.000 0.000 0.000) 0.000 4.424 ( 0.000 0.000 0.000) 0.000 5.241 ( 0.000 0.000 0.000) 0.000 5.815 ( 0.000 0.000 0.000) 0.000 6.140 ( 0.000 0.000 0.000) 0.000 6.299 ( 0.000 0.000 0.000) 0.000 6.625 ( 0.000 0.000 0.000) 0.000 6.719 ( 0.000 0.000 0.000) 0.000 6.846 ( 0.000 0.000 0.000) 0.000 7.028 ( 0.000 0.000 0.000) 0.000 7.051 ( 0.000 0.000 0.000) 0.000 7.955 ( 0.000 0.000 0.000) 0.000 8.049 ( 0.000 0.000 0.000) 0.000 9.228 ( 0.000 0.000 0.000) 0.000 9.617 ( 0.000 0.000 0.000) 0.000 9.851 ( 0.000 0.000 0.000) 0.000 10.156 ( 0.000 0.000 0.000) 0.000 10.641 ( 0.000 0.000 0.000) 0.000 10.671 ( 0.000 0.000 0.000) 0.000 11.451 ( 0.000 0.000 0.000) 0.000 16.458 ( 0.000 0.000 0.000) 0.000 16.468 ( 0.000 0.000 0.000) 0.000 17.185 ( 0.000 0.000 0.000) 0.000 17.207 ( 0.000 0.000 0.000) 0.000 17.331 ( 0.000 0.000 0.000) 0.000 17.374 ( 0.000 0.000 0.000) 0.000 17.457 ( 0.000 0.000 0.000) 0.000 17.687 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/250) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.262 ( 4.060 -11.140 7.458) 14.007 0.369 ( 12.970 -12.153 5.381) 18.570 0.560 ( 19.931 -14.915 16.151) 29.674 2.013 ( -3.810 -0.576 -1.111) 4.011 2.364 ( 0.333 5.810 -0.583) 5.848 2.525 ( -5.868 1.380 -0.760) 6.076 2.707 ( -0.407 -2.529 0.742) 2.666 2.959 ( 0.114 -0.706 0.554) 0.905 3.577 ( -4.753 -3.931 -1.993) 6.482 4.385 ( 3.492 6.388 0.393) 7.291 5.219 ( -6.735 -3.882 -7.361) 10.706 5.770 ( 0.842 6.681 5.768) 8.866 6.193 ( 4.855 -3.132 -4.857) 7.548 6.353 ( 0.354 -2.436 3.151) 3.998 6.577 ( -5.794 3.791 0.744) 6.964 6.676 ( -6.887 1.857 5.084) 8.760 6.845 ( 12.043 4.358 -0.025) 12.807 7.089 ( 4.218 -3.725 0.061) 5.627 7.240 ( 7.233 -9.248 9.015) 14.802 8.011 ( -5.726 -2.548 0.241) 6.272 8.122 ( 3.791 0.946 -8.530) 9.382 9.188 ( -4.538 1.935 -1.935) 5.299 9.870 ( -1.992 -2.483 -0.853) 3.296 10.037 ( -23.001 -12.250 -5.219) 26.577 10.160 ( -16.217 -12.650 -14.462) 25.144 10.667 ( 4.504 0.302 -4.303) 6.237 11.424 ( -0.108 3.053 1.122) 3.254 12.267 ( 59.443 47.726 30.529) 82.117 16.436 ( -3.007 1.444 0.405) 3.360 16.460 ( 0.924 0.483 -0.448) 1.135 17.138 ( -3.635 4.132 3.366) 6.451 17.321 ( -0.179 2.658 -0.558) 2.722 17.331 ( -3.881 -4.563 0.207) 5.994 17.496 ( 3.712 -4.461 2.051) 6.155 17.724 ( 0.561 -5.586 2.280) 6.060 18.360 ( 38.242 23.788 8.239) 45.784 ======================= Grid point 2 (3/250) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.538 ( 5.503 -11.361 6.765) 14.322 0.734 ( 13.260 -11.699 4.916) 18.354 1.046 ( 16.454 -11.504 12.783) 23.801 1.936 ( -8.399 1.868 -2.753) 9.034 2.274 ( 1.977 4.782 1.267) 5.327 2.395 ( -7.842 5.108 -0.648) 9.381 2.760 ( -1.393 -4.191 0.008) 4.416 2.966 ( 1.242 1.655 1.835) 2.766 3.602 ( -8.552 -8.587 -3.558) 12.631 4.289 ( 6.962 11.028 1.173) 13.094 5.193 ( -9.629 -8.374 -12.063) 17.560 5.672 ( 3.635 10.660 8.816) 14.303 6.279 ( 4.662 -3.052 -5.690) 7.964 6.419 ( -1.377 -3.316 -4.248) 5.563 6.437 ( -4.590 3.637 4.353) 7.297 6.608 ( -5.298 1.702 5.340) 7.713 6.944 ( 13.436 0.360 2.295) 13.636 7.219 ( 5.921 -3.546 4.207) 8.083 7.541 ( 8.120 -10.612 9.498) 16.394 7.985 ( -3.888 -0.734 -2.633) 4.753 8.092 ( 0.379 1.881 -3.764) 4.225 9.068 ( -7.066 3.419 -3.268) 8.503 9.824 ( -8.423 0.730 -0.344) 8.462 10.057 ( -0.116 -1.735 -0.868) 1.944 10.144 ( -15.580 -14.942 -12.214) 24.803 10.700 ( 7.400 0.790 -4.979) 8.954 11.367 ( 0.286 3.969 2.031) 4.467 12.146 ( 24.912 27.431 13.295) 39.368 16.374 ( -3.781 1.652 0.975) 4.239 16.458 ( 1.488 0.868 -0.985) 1.984 17.055 ( -2.540 3.040 2.547) 4.709 17.263 ( -0.119 3.233 -1.013) 3.390 17.394 ( 1.189 -3.593 -0.167) 3.789 17.595 ( 3.752 -2.446 -0.868) 4.563 17.854 ( -0.101 -7.296 -0.267) 7.302 18.396 ( 17.328 9.512 9.967) 22.138 ======================= Grid point 3 (4/250) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.820 ( 6.478 -10.492 5.218) 13.389 1.088 ( 12.954 -10.898 4.578) 17.537 1.392 ( 11.040 -6.526 7.263) 14.738 1.760 ( -9.409 5.429 -3.018) 11.274 2.185 ( -11.087 7.084 0.090) 13.157 2.265 ( 3.312 0.787 0.745) 3.485 2.816 ( -2.703 -4.873 -1.501) 5.771 2.944 ( 2.722 4.293 3.159) 5.985 3.671 ( -10.183 -12.278 -4.012) 16.448 4.164 ( 8.974 13.357 1.865) 16.200 5.214 ( -9.251 -11.894 -13.686) 20.356 5.561 ( 5.829 12.803 10.999) 17.857 6.270 ( -0.926 3.888 -2.999) 4.997 6.386 ( -1.980 -4.645 -2.496) 5.633 6.488 ( 1.430 -2.530 -1.039) 3.086 6.553 ( -3.588 2.233 5.525) 6.956 7.113 ( 14.375 -1.818 2.103) 14.641 7.351 ( 3.173 -3.156 5.354) 6.978 7.789 ( -0.403 -4.991 6.749) 8.403 7.936 ( -3.219 0.346 -3.524) 4.785 8.072 ( 5.999 -0.617 -0.267) 6.037 8.906 ( -8.074 4.039 -4.029) 9.886 9.724 ( -5.142 2.122 1.430) 5.743 9.998 ( -6.620 -1.140 -9.087) 11.301 10.307 ( -5.505 -16.150 -0.579) 17.072 10.732 ( 9.972 3.520 -6.258) 12.288 11.324 ( 0.143 2.214 2.806) 3.577 11.961 ( 10.885 19.703 6.967) 23.563 16.320 ( -2.787 1.021 1.108) 3.168 16.451 ( 1.313 1.012 -1.101) 1.990 17.005 ( -1.440 1.523 1.489) 2.571 17.206 ( -0.115 2.565 -0.713) 2.664 17.463 ( 1.851 -2.319 -0.013) 2.967 17.656 ( 2.073 -1.685 -0.722) 2.767 17.943 ( -0.107 -3.601 -2.188) 4.215 18.472 ( 8.965 2.666 8.763) 12.817 ======================= Grid point 4 (5/250) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( 4.474 -5.976 2.467) 7.863 1.390 ( 7.970 -7.115 3.707) 11.308 1.566 ( 4.643 -2.752 0.255) 5.403 1.570 ( -4.719 5.096 -1.297) 7.065 1.946 ( -9.135 6.083 -0.603) 10.992 2.299 ( 1.410 -0.538 0.743) 1.682 2.854 ( -2.685 -3.585 -2.306) 5.038 2.912 ( 2.695 3.728 2.946) 5.463 3.766 ( -6.895 -9.272 -2.453) 11.812 4.044 ( 6.439 9.483 1.570) 11.569 5.280 ( -6.040 -9.988 -10.089) 15.429 5.456 ( 5.072 10.155 9.147) 14.578 6.199 ( -0.912 1.530 -0.878) 1.986 6.439 ( -0.437 -3.716 -3.169) 4.903 6.505 ( -0.662 2.638 3.089) 4.116 6.528 ( 0.054 -0.890 0.490) 1.017 7.301 ( 12.869 -2.134 0.136) 13.045 7.411 ( -4.519 -1.023 3.662) 5.906 7.759 ( -4.472 1.530 0.201) 4.731 7.889 ( -1.464 0.474 -1.793) 2.363 8.238 ( 7.530 -3.875 3.283) 9.082 8.746 ( -5.793 2.976 -2.983) 7.163 9.670 ( -1.452 0.902 1.172) 2.072 9.925 ( -2.922 -0.293 -4.269) 5.182 10.523 ( -6.761 -13.805 2.783) 15.622 10.704 ( 9.612 8.267 -5.866) 13.970 11.322 ( -0.201 -0.394 1.784) 1.838 11.790 ( 2.895 8.774 2.340) 9.530 16.293 ( -1.013 0.316 0.510) 1.177 16.443 ( 0.522 0.477 -0.510) 0.872 16.983 ( -0.486 0.418 0.495) 0.810 17.171 ( -0.046 0.985 -0.265) 1.021 17.505 ( 0.784 -0.778 0.011) 1.105 17.689 ( 0.702 -0.632 -0.243) 0.976 17.970 ( -0.119 -0.878 -1.006) 1.340 18.540 ( 2.867 0.267 3.329) 4.402 ======================= Grid point 10 (6/250) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.343 ( 11.630 -0.000 11.928) 16.659 0.484 ( 16.037 -0.000 16.124) 22.742 0.777 ( 28.662 -0.000 18.363) 34.040 1.952 ( -6.377 0.000 -1.372) 6.523 2.409 ( -0.534 0.000 -1.806) 1.883 2.471 ( -5.106 0.000 0.253) 5.112 2.689 ( -0.932 0.000 2.130) 2.325 2.939 ( -1.686 0.000 0.671) 1.814 3.462 ( -8.164 0.000 -2.977) 8.690 4.494 ( 6.614 -0.000 -0.080) 6.614 5.050 ( -10.993 0.000 -11.825) 16.146 5.877 ( 1.880 -0.000 11.330) 11.485 6.225 ( 11.273 -0.000 -10.335) 15.294 6.324 ( -3.863 0.000 1.005) 3.992 6.543 ( -11.149 0.000 3.795) 11.777 6.655 ( -4.198 0.000 7.151) 8.292 7.071 ( 7.132 -0.000 1.847) 7.368 7.092 ( 16.651 -0.000 2.334) 16.814 7.285 ( 6.168 -0.000 12.226) 13.694 7.934 ( -0.813 0.000 -2.522) 2.650 8.117 ( 2.495 -0.000 -9.742) 10.057 9.112 ( -9.774 0.000 -2.180) 10.014 9.579 ( -3.689 0.000 1.259) 3.898 9.878 ( 2.844 -0.000 -1.688) 3.307 10.064 ( -6.225 0.000 -1.847) 6.493 10.690 ( 3.643 -0.000 -4.291) 5.629 11.454 ( 2.280 -0.000 -5.169) 5.650 13.174 ( -3.684 0.000 2.945) 4.717 16.421 ( -3.593 0.000 -1.275) 3.813 16.422 ( -1.596 0.000 -3.692) 4.022 17.184 ( 0.862 -0.000 -2.481) 2.627 17.224 ( -6.004 0.000 11.046) 12.572 17.438 ( 2.776 -0.000 7.096) 7.619 17.522 ( 10.391 -0.000 1.657) 10.523 17.656 ( -2.935 0.000 0.146) 2.938 19.040 ( 2.818 -0.000 -7.043) 7.586 ======================= Grid point 11 (7/250) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.549 ( 11.906 -4.025 10.913) 16.645 0.770 ( 14.827 -5.979 13.131) 20.689 1.180 ( 23.836 -4.163 15.031) 28.486 1.863 ( -8.521 0.802 -1.627) 8.712 2.357 ( -2.254 3.818 1.056) 4.558 2.386 ( -6.238 2.882 -0.996) 6.944 2.692 ( -2.382 -1.453 1.027) 2.973 2.955 ( -1.991 -3.509 1.053) 4.169 3.383 ( -9.369 -2.994 -4.162) 10.680 4.523 ( 9.245 5.761 -0.137) 10.894 4.909 ( -11.603 -4.477 -13.874) 18.632 5.914 ( 5.319 6.156 12.441) 14.865 6.272 ( 1.068 -0.971 -3.652) 3.927 6.330 ( 3.841 -2.114 -10.597) 11.468 6.436 ( -7.660 0.993 5.950) 9.750 6.643 ( -1.845 2.114 8.641) 9.085 7.131 ( 12.393 2.887 3.829) 13.289 7.273 ( 9.078 -0.501 4.923) 10.339 7.494 ( 7.102 -9.089 9.810) 15.142 7.922 ( -1.956 -0.938 -3.233) 3.893 8.096 ( 0.884 0.415 -5.232) 5.322 8.982 ( -12.127 0.376 -4.257) 12.858 9.635 ( -7.869 -8.441 -0.833) 11.569 9.905 ( -0.088 -0.966 -2.179) 2.385 10.006 ( -2.847 -1.632 -1.103) 3.462 10.715 ( 3.050 -1.670 -5.713) 6.688 11.432 ( 2.709 2.157 -6.362) 7.243 12.884 ( 4.961 26.276 5.695) 27.340 16.354 ( -4.628 1.050 0.352) 4.758 16.424 ( -1.532 -2.603 -5.243) 6.051 17.122 ( -0.538 4.831 3.116) 5.774 17.250 ( -1.322 -1.257 1.246) 2.209 17.468 ( 5.582 3.627 4.912) 8.272 17.599 ( 1.295 -1.147 2.776) 3.271 17.740 ( 3.458 -6.978 -0.480) 7.803 18.851 ( 8.877 16.927 3.010) 19.349 ======================= Grid point 12 (8/250) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.812 ( 11.950 -6.562 9.243) 16.471 1.090 ( 13.120 -7.987 9.993) 18.325 1.477 ( 11.928 -0.704 7.439) 14.075 1.751 ( -4.330 2.473 0.515) 5.013 2.192 ( -11.433 6.623 2.465) 13.441 2.316 ( 0.734 2.001 -0.612) 2.217 2.701 ( -3.705 -3.300 -1.728) 5.254 3.011 ( 0.833 -1.836 2.633) 3.316 3.346 ( -10.971 -7.806 -5.102) 14.399 4.485 ( 10.709 10.540 0.204) 15.027 4.858 ( -9.955 -9.692 -14.081) 19.781 5.889 ( 7.512 10.411 11.997) 17.571 6.228 ( -8.597 -0.450 -2.956) 9.103 6.345 ( 3.946 -0.888 -1.945) 4.488 6.463 ( 3.182 -2.554 -1.703) 4.421 6.624 ( 0.382 3.706 8.897) 9.646 7.252 ( 12.320 0.011 3.292) 12.752 7.363 ( 1.879 -0.702 5.271) 5.640 7.716 ( -0.342 -5.489 3.572) 6.558 7.901 ( -1.131 -0.249 -2.102) 2.400 8.109 ( 5.705 -1.748 -0.572) 5.994 8.819 ( -12.534 0.940 -5.777) 13.833 9.661 ( -5.581 -3.806 -2.974) 7.381 9.882 ( -2.908 -0.610 -0.181) 2.977 10.085 ( 0.059 -7.711 0.626) 7.736 10.763 ( 2.793 -3.382 -6.165) 7.566 11.387 ( 3.052 2.869 -6.521) 7.750 12.501 ( 4.605 26.679 6.316) 27.801 16.300 ( -3.962 0.308 1.290) 4.178 16.425 ( -1.404 -2.079 -5.597) 6.134 17.055 ( 0.369 4.245 2.808) 5.103 17.236 ( -0.737 1.492 -0.336) 1.697 17.485 ( 2.959 1.157 1.784) 3.643 17.658 ( 1.450 -1.646 5.025) 5.483 17.872 ( 3.331 -4.516 -2.833) 6.286 18.726 ( 7.786 10.542 6.246) 14.517 ======================= Grid point 13 (9/250) ======================= q-point: ( 0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( 12.103 -5.539 7.839) 15.447 1.382 ( 9.287 -6.518 6.922) 13.291 1.455 ( -8.433 2.919 -2.866) 9.373 1.752 ( 7.590 4.475 5.580) 10.430 1.963 ( -8.892 6.444 0.966) 11.024 2.308 ( -0.081 0.008 0.954) 0.958 2.712 ( -4.769 -4.565 -3.984) 7.710 3.033 ( 3.143 3.210 2.625) 5.203 3.405 ( -10.678 -14.371 -3.949) 18.334 4.381 ( 10.174 13.740 0.295) 17.099 4.910 ( -7.758 -13.397 -12.644) 19.988 5.818 ( 7.723 13.029 11.805) 19.203 6.151 ( -5.512 -1.071 -1.677) 5.860 6.410 ( 3.252 -2.303 -0.041) 3.985 6.521 ( 3.322 -1.059 -2.293) 4.173 6.603 ( 2.459 4.794 7.926) 9.583 7.345 ( -6.667 0.113 3.132) 7.367 7.409 ( 9.073 -0.515 0.448) 9.098 7.721 ( -2.871 -0.596 -1.662) 3.370 7.889 ( 0.193 0.301 0.097) 0.370 8.253 ( 5.673 -3.284 1.054) 6.639 8.667 ( -9.264 -0.941 -4.325) 10.267 9.647 ( -1.336 -1.287 -4.748) 5.098 9.895 ( 0.736 -1.362 4.416) 4.679 10.245 ( -3.431 -11.176 3.238) 12.131 10.821 ( 4.155 -2.114 -7.301) 8.662 11.344 ( 2.440 2.107 -5.187) 6.107 12.113 ( 0.221 23.472 4.960) 23.992 16.275 ( -2.469 -0.535 1.235) 2.811 16.417 ( -1.533 -1.467 -5.084) 5.509 17.010 ( 0.605 2.718 2.079) 3.475 17.197 ( -0.068 1.848 -0.714) 1.982 17.498 ( -0.610 -0.490 0.561) 0.963 17.715 ( 2.410 0.425 5.654) 6.161 17.942 ( 2.249 -2.233 -3.155) 4.472 18.667 ( 4.358 7.130 4.033) 9.279 ======================= Grid point 14 (10/250) ======================= q-point: (-0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( 0.865 10.236 3.361) 10.809 1.363 ( -4.486 -4.158 -0.568) 6.143 1.470 ( -0.710 3.163 -0.608) 3.298 1.701 ( 0.801 4.360 4.900) 6.608 1.951 ( 8.069 -3.898 2.009) 9.184 2.295 ( -1.803 1.062 -0.076) 2.094 2.736 ( -4.673 -6.181 -4.188) 8.808 2.998 ( 2.515 4.824 1.069) 5.544 3.568 ( -7.729 -15.986 -1.618) 17.830 4.228 ( 8.185 14.638 0.218) 16.773 5.037 ( -5.905 -14.858 -9.913) 18.812 5.709 ( 7.297 13.850 10.702) 18.963 6.146 ( -1.574 -2.848 -0.085) 3.255 6.477 ( 1.327 -1.755 1.184) 2.498 6.541 ( 2.152 1.035 -1.993) 3.110 6.584 ( 5.582 5.193 5.525) 9.416 7.207 ( -13.644 2.805 0.206) 13.931 7.451 ( 1.181 2.231 -3.831) 4.587 7.763 ( 5.725 -3.356 -0.815) 6.686 7.910 ( 1.896 -0.842 2.560) 3.295 8.207 ( -8.530 4.524 -5.426) 11.076 8.707 ( 2.035 -7.090 1.457) 7.519 9.654 ( 2.826 -1.636 -4.912) 5.898 9.978 ( 3.523 -1.841 8.104) 9.026 10.410 ( -7.370 -11.101 7.077) 15.087 10.826 ( 7.807 5.546 -7.743) 12.315 11.323 ( 0.853 0.343 -3.258) 3.385 11.767 ( -5.720 13.258 0.778) 14.461 16.279 ( -0.802 -1.307 0.732) 1.699 16.403 ( -1.801 -1.484 -4.100) 4.718 16.991 ( 0.505 1.068 1.268) 1.733 17.173 ( 0.521 0.648 -0.769) 1.132 17.493 ( -2.646 -0.583 0.266) 2.722 17.738 ( 2.201 2.621 6.027) 6.931 17.976 ( 1.613 -0.883 -2.014) 2.728 18.579 ( 0.092 6.923 -0.974) 6.992 ======================= Grid point 15 (11/250) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.963 ( -5.195 11.475 -2.923) 12.931 1.185 ( -6.860 13.276 6.049) 16.122 1.396 ( -3.999 6.591 -7.636) 10.851 1.777 ( 8.415 -5.030 3.132) 10.291 2.148 ( 3.558 -7.179 3.589) 8.780 2.245 ( 0.507 1.398 -2.414) 2.835 2.795 ( -3.248 -6.961 -2.616) 8.115 2.934 ( 1.590 5.119 -0.010) 5.360 3.766 ( -4.500 -13.988 0.255) 14.696 4.057 ( 4.892 12.416 -0.316) 13.349 5.205 ( -4.183 -14.575 -6.208) 16.385 5.594 ( 7.255 12.806 8.449) 16.971 6.210 ( 0.797 -4.535 1.216) 4.762 6.472 ( -1.406 3.480 3.387) 5.056 6.526 ( 1.020 1.227 -2.900) 3.310 6.606 ( 8.294 2.593 2.040) 8.926 7.009 ( -13.091 3.243 -1.196) 13.539 7.358 ( -3.253 4.105 -4.310) 6.783 7.844 ( 2.004 3.518 -6.471) 7.634 7.971 ( 2.814 -1.543 3.229) 4.552 8.012 ( -6.763 0.534 -0.694) 6.820 8.877 ( 3.430 -7.494 1.687) 8.413 9.726 ( 6.567 -3.283 -3.177) 8.000 10.075 ( 1.599 -1.288 6.666) 6.975 10.533 ( -8.937 -7.979 10.644) 16.026 10.718 ( 11.962 15.447 0.777) 19.553 11.300 ( 2.645 0.745 -10.398) 10.755 11.590 ( -14.364 -4.615 -1.939) 15.211 16.309 ( 0.639 -1.964 0.520) 2.130 16.397 ( -1.950 -1.969 -3.258) 4.277 16.994 ( 0.458 -0.457 0.334) 0.728 17.180 ( 0.744 -0.910 -0.477) 1.268 17.468 ( -3.008 0.031 0.329) 3.027 17.725 ( 1.875 4.619 6.508) 8.198 17.988 ( 0.691 0.282 -0.690) 1.016 18.415 ( -4.215 7.605 -6.108) 10.626 ======================= Grid point 16 (12/250) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.694 ( -3.778 11.946 -4.262) 13.235 0.908 ( -2.241 16.507 8.791) 18.836 1.099 ( -7.804 14.382 -11.418) 19.952 1.984 ( 8.788 -5.255 2.840) 10.626 2.161 ( -6.031 -1.837 -1.272) 6.431 2.366 ( 5.230 -6.204 0.423) 8.125 2.854 ( 0.394 4.935 0.730) 5.004 2.877 ( -1.138 -5.443 -2.082) 5.938 3.855 ( 4.495 10.121 2.534) 11.361 4.008 ( -4.226 -12.668 -2.047) 13.511 5.394 ( -2.334 -12.377 -0.337) 12.600 5.491 ( 5.688 9.629 2.584) 11.478 6.317 ( 1.201 -3.216 5.131) 6.174 6.393 ( -0.833 2.376 -3.495) 4.308 6.488 ( 0.085 2.785 -0.188) 2.793 6.661 ( 7.237 1.190 0.258) 7.339 6.833 ( -10.171 2.160 -1.325) 10.482 7.229 ( -3.061 4.687 -2.394) 6.088 7.622 ( -5.135 10.849 -5.820) 13.339 8.029 ( 2.334 -1.244 2.122) 3.391 8.057 ( 0.228 -2.940 0.831) 3.064 9.039 ( 2.638 -6.585 1.103) 7.179 9.867 ( 8.667 -4.451 -0.700) 9.768 10.072 ( -4.206 2.239 0.976) 4.863 10.568 ( -1.471 -0.208 -1.901) 2.412 10.659 ( 10.889 9.256 23.474) 27.482 11.296 ( 7.420 -3.251 -21.193) 22.688 11.531 ( -24.589 -9.458 1.016) 26.365 16.362 ( 1.225 -2.434 1.030) 2.913 16.402 ( -1.532 -2.268 -2.776) 3.898 17.021 ( 0.630 -2.152 -0.363) 2.271 17.210 ( 0.135 -1.979 -0.224) 1.996 17.442 ( -1.236 0.402 0.476) 1.384 17.674 ( 1.350 6.405 5.887) 8.804 17.967 ( 0.363 3.363 0.599) 3.435 18.191 ( -7.633 6.192 -8.530) 13.014 ======================= Grid point 17 (13/250) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.448 ( -0.000 12.595 -0.000) 12.595 0.649 ( -0.000 18.024 -0.000) 18.024 0.693 ( -0.000 18.862 -0.000) 18.862 2.061 ( -0.000 1.851 -0.000) 1.851 2.228 ( 0.000 -8.950 0.000) 8.950 2.496 ( 0.000 -5.138 0.000) 5.138 2.772 ( -0.000 4.514 -0.000) 4.514 2.941 ( 0.000 -2.608 0.000) 2.608 3.711 ( -0.000 8.311 -0.000) 8.311 4.206 ( 0.000 -11.599 0.000) 11.599 5.373 ( -0.000 7.561 -0.000) 7.561 5.593 ( 0.000 -11.039 0.000) 11.039 6.264 ( -0.000 5.707 -0.000) 5.707 6.404 ( -0.000 3.210 -0.000) 3.210 6.502 ( 0.000 -7.121 0.000) 7.121 6.699 ( -0.000 0.611 -0.000) 0.611 6.738 ( -0.000 0.064 -0.000) 0.064 7.129 ( -0.000 4.054 -0.000) 4.054 7.378 ( -0.000 12.010 -0.000) 12.010 8.065 ( -0.000 0.217 -0.000) 0.217 8.091 ( 0.000 -1.831 0.000) 1.831 9.156 ( 0.000 -4.663 0.000) 4.663 9.947 ( -0.000 5.284 -0.000) 5.284 10.038 ( 0.000 -6.007 0.000) 6.007 10.589 ( 0.000 -2.428 0.000) 2.428 10.709 ( -0.000 3.279 -0.000) 3.279 11.388 ( 0.000 -5.650 0.000) 5.650 11.415 ( 0.000 -1.847 0.000) 1.847 16.419 ( 0.000 -2.313 0.000) 2.313 16.421 ( 0.000 -2.048 0.000) 2.048 17.078 ( 0.000 -3.892 0.000) 3.892 17.247 ( 0.000 -2.549 0.000) 2.549 17.440 ( 0.000 -0.114 0.000) 0.114 17.578 ( -0.000 7.172 -0.000) 7.172 17.846 ( -0.000 9.973 -0.000) 9.973 18.052 ( -0.000 0.806 -0.000) 0.806 ======================= Grid point 20 (14/250) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.683 ( 11.503 -0.000 9.477) 14.904 0.935 ( 14.525 -0.000 13.801) 20.036 1.477 ( 24.113 -0.000 14.893) 28.342 1.774 ( -8.853 0.000 -0.396) 8.862 2.334 ( -8.971 0.000 2.037) 9.200 2.373 ( -1.721 0.000 -2.383) 2.940 2.666 ( -3.147 0.000 3.136) 4.443 2.852 ( -6.910 0.000 -2.362) 7.302 3.273 ( -5.502 0.000 -3.040) 6.286 4.640 ( 1.041 -0.000 -10.257) 10.309 4.722 ( -1.163 0.000 -5.184) 5.313 6.095 ( 6.584 -0.000 15.248) 16.609 6.194 ( -6.301 0.000 -4.767) 7.901 6.371 ( 12.712 -0.000 -12.393) 17.753 6.378 ( -8.937 0.000 7.267) 11.519 6.704 ( 1.363 -0.000 9.850) 9.944 7.269 ( 7.066 -0.000 4.789) 8.536 7.454 ( -0.618 0.000 9.403) 9.423 7.466 ( 15.465 -0.000 2.550) 15.673 7.889 ( -0.635 0.000 -3.025) 3.091 8.091 ( 1.938 -0.000 -3.497) 3.999 8.822 ( -14.576 0.000 -4.528) 15.263 9.517 ( -3.218 0.000 2.266) 3.935 9.920 ( 2.612 -0.000 -1.949) 3.259 9.946 ( -3.144 0.000 0.149) 3.148 10.682 ( 0.693 -0.000 -8.748) 8.775 11.439 ( 2.014 -0.000 -8.551) 8.785 13.107 ( -4.326 0.000 0.956) 4.431 16.323 ( -4.606 0.000 -0.553) 4.639 16.344 ( -1.817 0.000 -4.767) 5.101 17.175 ( 0.880 -0.000 -3.198) 3.317 17.259 ( 0.726 -0.000 7.610) 7.645 17.565 ( -2.652 0.000 2.189) 3.439 17.601 ( 1.987 -0.000 7.319) 7.584 17.739 ( 9.892 -0.000 -1.693) 10.036 19.037 ( -0.278 0.000 0.833) 0.878 ======================= Grid point 21 (15/250) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.869 ( 9.839 -4.386 6.797) 12.737 1.171 ( 12.951 -3.882 11.378) 17.671 1.630 ( -1.495 5.315 4.049) 6.847 1.797 ( 12.576 -1.847 8.286) 15.174 2.197 ( -10.740 5.283 3.363) 12.433 2.324 ( -3.492 0.655 -2.151) 4.153 2.631 ( -3.059 0.671 -0.696) 3.208 2.864 ( -5.961 -9.723 -1.351) 11.484 3.213 ( -3.303 0.844 -2.090) 3.999 4.560 ( -7.566 -5.606 -13.805) 16.711 4.742 ( 9.880 5.841 -1.102) 11.530 6.111 ( -3.001 0.719 -2.027) 3.692 6.176 ( 1.365 4.892 13.002) 13.959 6.340 ( -2.195 -1.435 3.156) 4.103 6.471 ( 10.927 -1.480 -7.391) 13.275 6.750 ( 3.629 2.879 10.220) 11.221 7.337 ( -0.443 -0.077 4.946) 4.966 7.439 ( 3.953 2.484 3.975) 6.132 7.653 ( 4.100 -3.610 -0.068) 5.463 7.883 ( 0.200 -0.599 -0.636) 0.896 8.128 ( 5.074 -2.103 0.090) 5.493 8.651 ( -14.350 -0.368 -6.468) 15.744 9.537 ( -2.423 -3.493 1.739) 4.593 9.898 ( 1.017 1.612 1.632) 2.510 9.993 ( 0.940 -4.182 -0.100) 4.288 10.666 ( -1.022 -3.545 -9.731) 10.407 11.407 ( 1.567 0.931 -9.086) 9.267 12.919 ( -2.414 16.161 2.264) 16.497 16.269 ( -3.739 0.351 0.480) 3.786 16.334 ( -2.060 -2.546 -5.105) 6.065 17.148 ( 1.652 2.810 -1.578) 3.622 17.273 ( 0.936 2.976 4.848) 5.765 17.511 ( -3.786 0.921 0.590) 3.941 17.695 ( 4.809 -1.417 7.737) 9.219 17.844 ( 6.011 -2.480 -2.936) 7.134 18.968 ( 1.590 7.615 3.578) 8.563 ======================= Grid point 22 (16/250) ======================= q-point: ( 0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( 5.141 -7.655 2.220) 9.485 1.418 ( 10.239 -4.857 7.879) 13.802 1.512 ( -1.344 7.030 4.894) 8.670 1.916 ( 1.310 5.445 5.394) 7.775 2.009 ( -2.026 5.295 3.169) 6.495 2.285 ( -3.838 -1.453 0.323) 4.116 2.588 ( -4.113 -1.579 -5.267) 6.867 3.020 ( -2.082 -12.199 0.940) 12.411 3.154 ( -2.438 1.501 -1.710) 3.334 4.574 ( -6.486 -10.007 -10.687) 16.013 4.691 ( 9.235 10.031 -2.091) 13.794 6.079 ( -3.196 -1.048 -0.267) 3.374 6.116 ( 2.281 8.476 9.176) 12.698 6.394 ( 1.260 -2.808 2.181) 3.773 6.563 ( 9.519 0.724 -2.546) 9.880 6.770 ( 5.073 4.891 8.950) 11.391 7.277 ( -10.829 1.259 2.362) 11.155 7.493 ( 5.958 0.573 0.419) 6.000 7.689 ( 1.272 -0.793 -2.200) 2.663 7.892 ( -0.582 -0.287 1.539) 1.671 8.252 ( 4.318 -2.902 -0.298) 5.211 8.504 ( -10.742 -2.753 -5.204) 12.250 9.582 ( -0.045 -2.828 -1.168) 3.059 9.922 ( 2.472 -0.559 4.823) 5.449 10.099 ( 0.812 -6.311 2.913) 6.998 10.700 ( -2.024 -6.911 -8.839) 11.401 11.363 ( 1.433 1.162 -8.831) 9.022 12.562 ( -1.293 23.783 3.648) 24.095 16.243 ( -2.614 -0.610 1.103) 2.902 16.334 ( -2.046 -2.473 -5.152) 6.070 17.105 ( 2.761 4.276 0.109) 5.091 17.230 ( -0.570 3.260 1.694) 3.718 17.471 ( -3.736 -0.250 0.779) 3.825 17.793 ( 5.340 0.089 5.792) 7.879 17.915 ( 2.669 -2.270 -2.489) 4.298 18.865 ( 2.433 8.549 3.444) 9.533 ======================= Grid point 23 (17/250) ======================= q-point: ( 0.56 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( -7.793 -2.694 -2.955) 8.759 1.445 ( 8.326 3.639 4.099) 9.968 1.578 ( 5.097 5.031 7.042) 10.044 1.765 ( -3.760 3.159 3.591) 6.084 1.997 ( 2.492 1.424 1.183) 3.104 2.292 ( -0.761 -0.594 1.909) 2.139 2.566 ( -4.650 -4.686 -6.087) 8.979 3.090 ( 0.156 3.514 -0.283) 3.529 3.236 ( -2.533 -14.315 0.012) 14.537 4.532 ( 3.463 11.170 -1.641) 11.809 4.709 ( -1.637 -11.447 -7.386) 13.721 6.008 ( 1.135 9.055 8.091) 12.196 6.099 ( 1.253 -1.334 -0.792) 1.994 6.463 ( 1.093 -2.511 1.348) 3.052 6.608 ( 6.591 3.392 0.830) 7.459 6.768 ( 5.907 5.470 5.395) 9.691 7.121 ( -12.564 2.804 0.177) 12.875 7.484 ( -0.227 2.972 -2.972) 4.209 7.761 ( 5.853 -3.600 -0.309) 6.878 7.906 ( -1.113 -1.577 2.207) 2.932 8.181 ( -6.754 4.883 -6.317) 10.457 8.573 ( -0.040 -9.370 0.791) 9.403 9.629 ( 2.801 -2.470 -3.099) 4.853 9.995 ( 1.178 -2.401 5.166) 5.817 10.251 ( 0.872 -7.188 7.567) 10.473 10.779 ( -0.984 -8.157 -7.875) 11.381 11.323 ( 1.157 0.718 -7.007) 7.138 12.116 ( -2.430 26.891 3.191) 27.188 16.246 ( -1.343 -1.505 1.220) 2.357 16.331 ( -1.818 -2.020 -4.498) 5.255 17.058 ( 2.288 4.397 1.221) 5.105 17.184 ( -0.720 1.142 -0.689) 1.515 17.446 ( -3.617 -0.776 0.804) 3.786 17.847 ( 4.525 2.021 4.668) 6.808 17.959 ( 0.981 -1.544 -1.369) 2.285 18.738 ( 1.049 9.721 0.692) 9.802 ======================= Grid point 24 (18/250) ======================= q-point: (-0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( -6.592 6.578 -1.924) 9.510 1.419 ( -2.121 10.390 3.253) 11.092 1.486 ( 4.383 8.352 1.186) 9.506 1.786 ( 4.611 -2.118 0.094) 5.075 2.051 ( -2.238 -6.075 1.944) 6.760 2.287 ( 2.113 2.021 0.296) 2.939 2.619 ( -2.719 -8.013 -2.805) 8.914 3.025 ( 0.243 4.122 -0.230) 4.136 3.465 ( -1.870 -14.815 -0.060) 14.932 4.337 ( 2.456 13.810 -0.516) 14.036 4.896 ( -1.619 -14.448 -3.801) 15.027 5.885 ( 2.511 10.775 4.849) 12.080 6.150 ( 0.873 -3.488 -0.179) 3.600 6.508 ( 0.261 -1.069 1.383) 1.768 6.581 ( 2.344 5.507 0.786) 6.036 6.763 ( 7.156 4.381 1.848) 8.591 6.943 ( -10.559 3.567 -0.708) 11.167 7.393 ( -1.392 4.510 -2.112) 5.170 7.882 ( 4.511 -2.053 -1.898) 5.307 7.932 ( -3.067 -1.764 -0.630) 3.594 8.000 ( -3.213 3.980 -0.429) 5.132 8.748 ( 0.622 -9.687 0.460) 9.718 9.706 ( 3.841 -3.976 -2.263) 5.974 10.056 ( -1.399 -2.445 2.720) 3.916 10.407 ( -0.318 -5.701 7.247) 9.226 10.900 ( 4.158 -7.311 -2.980) 8.923 11.297 ( 0.679 0.871 -5.307) 5.421 11.633 ( -5.768 23.812 1.150) 24.528 16.278 ( -0.217 -2.323 1.498) 2.773 16.330 ( -1.251 -1.823 -3.431) 4.081 17.017 ( 0.735 2.438 0.709) 2.644 17.173 ( 0.183 -0.380 -0.745) 0.856 17.430 ( -2.530 -0.668 0.510) 2.666 17.862 ( 3.518 3.735 4.828) 7.045 17.972 ( -0.628 -0.834 -1.936) 2.200 18.551 ( -0.666 11.578 -1.641) 11.713 ======================= Grid point 25 (19/250) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.850 ( -0.000 10.003 -0.000) 10.003 1.214 ( -0.000 13.816 -0.000) 13.816 1.279 ( -0.000 14.701 -0.000) 14.701 1.914 ( 0.000 -7.851 0.000) 7.851 2.113 ( 0.000 -1.286 0.000) 1.286 2.305 ( 0.000 -3.149 0.000) 3.149 2.743 ( 0.000 -7.985 0.000) 7.985 2.947 ( -0.000 4.949 -0.000) 4.949 3.716 ( 0.000 -15.343 0.000) 15.343 4.109 ( -0.000 13.591 -0.000) 13.591 5.133 ( 0.000 -14.658 0.000) 14.658 5.720 ( -0.000 11.331 -0.000) 11.331 6.234 ( 0.000 -5.560 0.000) 5.560 6.483 ( -0.000 6.480 -0.000) 6.480 6.518 ( -0.000 0.697 -0.000) 0.697 6.781 ( -0.000 2.825 -0.000) 2.825 6.785 ( -0.000 3.517 -0.000) 3.517 7.295 ( -0.000 5.096 -0.000) 5.096 7.761 ( -0.000 9.587 -0.000) 9.587 7.990 ( 0.000 -3.977 0.000) 3.977 8.020 ( 0.000 -2.623 0.000) 2.623 8.916 ( 0.000 -8.879 0.000) 8.879 9.815 ( 0.000 -5.966 0.000) 5.966 10.073 ( -0.000 0.029 -0.000) 0.029 10.494 ( 0.000 -3.462 0.000) 3.462 11.092 ( -0.000 19.552 -0.000) 19.552 11.109 ( 0.000 -10.228 0.000) 10.228 11.366 ( -0.000 1.062 -0.000) 1.062 16.330 ( 0.000 -2.895 0.000) 2.895 16.343 ( 0.000 -1.853 0.000) 1.853 17.002 ( 0.000 -0.145 0.000) 0.145 17.187 ( 0.000 -1.063 0.000) 1.063 17.427 ( 0.000 -0.518 0.000) 0.518 17.813 ( -0.000 5.762 -0.000) 5.762 17.975 ( 0.000 -0.661 0.000) 0.661 18.327 ( -0.000 12.526 -0.000) 12.526 ======================= Grid point 30 (20/250) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( 5.278 -0.000 3.424) 6.291 1.315 ( 11.835 -0.000 10.174) 15.607 1.650 ( -3.320 0.000 3.686) 4.961 1.982 ( 13.468 -0.000 8.319) 15.830 2.169 ( -9.101 0.000 6.050) 10.928 2.243 ( -8.351 0.000 -4.790) 9.627 2.631 ( -8.463 0.000 -8.923) 12.298 2.694 ( 3.622 -0.000 5.882) 6.908 3.198 ( -1.118 0.000 -0.602) 1.269 4.381 ( -6.122 0.000 -11.613) 13.128 4.885 ( 9.021 -0.000 -2.695) 9.415 6.062 ( -2.860 0.000 -0.380) 2.885 6.284 ( -5.811 0.000 4.696) 7.472 6.309 ( 1.841 -0.000 7.503) 7.726 6.583 ( 16.552 -0.000 -3.982) 17.024 6.869 ( 5.138 -0.000 9.786) 11.053 7.300 ( -9.718 0.000 3.510) 10.333 7.512 ( 4.151 -0.000 2.867) 5.044 7.676 ( 4.157 -0.000 -2.912) 5.076 7.883 ( 0.016 -0.000 2.262) 2.262 8.155 ( 4.244 -0.000 1.358) 4.456 8.476 ( -12.180 0.000 -7.917) 14.527 9.513 ( -0.048 0.000 4.836) 4.836 9.947 ( 1.790 -0.000 -2.107) 2.765 9.962 ( 2.413 -0.000 5.013) 5.564 10.560 ( -2.973 0.000 -12.579) 12.925 11.382 ( 0.225 -0.000 -8.514) 8.517 13.025 ( -4.089 0.000 0.801) 4.167 16.238 ( -3.359 0.000 0.310) 3.374 16.274 ( -1.156 0.000 -3.716) 3.892 17.165 ( 0.686 -0.000 -2.604) 2.693 17.367 ( 3.397 -0.000 5.643) 6.587 17.471 ( -4.742 0.000 0.289) 4.751 17.754 ( 3.556 -0.000 7.293) 8.114 17.874 ( 5.585 -0.000 -4.101) 6.929 19.048 ( -0.500 0.000 3.340) 3.377 ======================= Grid point 31 (21/250) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( 0.305 -3.885 0.278) 3.906 1.493 ( 9.846 -2.436 7.715) 12.744 1.626 ( 1.125 2.860 4.195) 5.201 2.011 ( -5.884 6.798 4.004) 9.843 2.118 ( 1.998 2.841 1.322) 3.716 2.184 ( -4.287 -3.954 3.212) 6.658 2.505 ( -5.753 -0.211 -9.264) 10.907 2.841 ( 3.590 -7.026 3.828) 8.769 3.178 ( -0.203 1.280 -0.022) 1.296 4.333 ( -4.456 -5.828 -8.410) 11.160 4.900 ( 6.279 5.674 -2.922) 8.953 6.054 ( 0.018 -0.270 1.703) 1.725 6.225 ( -3.153 2.693 3.598) 5.490 6.364 ( 0.408 -2.374 1.949) 3.098 6.724 ( 14.662 2.245 0.729) 14.851 6.933 ( 4.662 3.229 7.666) 9.536 7.190 ( -11.223 1.076 1.180) 11.336 7.555 ( 3.282 1.139 0.643) 3.533 7.689 ( 1.893 -0.664 -2.483) 3.192 7.877 ( -3.952 -0.061 3.018) 4.973 8.240 ( 3.443 -3.076 0.552) 4.649 8.340 ( -7.714 -1.035 -6.749) 10.302 9.555 ( 1.166 -1.430 3.355) 3.829 9.951 ( 1.520 -0.057 0.184) 1.532 10.060 ( 4.065 -3.534 6.661) 8.566 10.508 ( -4.317 -5.073 -12.169) 13.873 11.344 ( -0.152 0.321 -6.992) 7.001 12.877 ( -2.565 12.874 1.299) 13.191 16.213 ( -2.147 -0.365 0.652) 2.273 16.263 ( -1.038 -1.453 -3.127) 3.601 17.157 ( 1.001 0.547 -1.958) 2.266 17.353 ( 2.068 6.988 3.928) 8.279 17.430 ( -3.644 -0.176 0.454) 3.676 17.845 ( 3.432 -2.511 4.930) 6.511 17.904 ( 2.664 -0.569 -3.295) 4.275 19.014 ( 0.318 4.975 2.863) 5.749 ======================= Grid point 32 (22/250) ======================= q-point: ( 0.56 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( -2.823 -3.788 -1.024) 4.834 1.565 ( 2.367 3.640 1.821) 4.709 1.709 ( 7.984 -4.172 3.649) 9.720 1.847 ( -1.819 8.764 6.501) 11.063 2.018 ( -6.584 3.510 -3.642) 8.303 2.282 ( 2.990 -3.237 6.367) 7.743 2.433 ( -4.447 -1.961 -8.461) 9.757 3.008 ( 0.334 -7.991 0.690) 8.028 3.158 ( 0.984 1.022 0.630) 1.552 4.409 ( -2.608 -10.006 -4.236) 11.174 4.803 ( 3.309 9.431 -1.676) 10.134 6.076 ( 0.769 -0.378 2.691) 2.824 6.158 ( -0.833 4.031 0.677) 4.172 6.422 ( 0.283 -3.194 0.369) 3.227 6.796 ( 10.371 5.650 2.413) 12.054 6.920 ( 1.967 4.502 3.446) 6.001 7.054 ( -9.000 2.655 -0.140) 9.385 7.531 ( 0.636 3.309 -1.282) 3.605 7.746 ( 2.823 -3.326 -0.176) 4.367 7.854 ( -4.118 -1.719 1.266) 4.639 8.186 ( -2.702 4.051 -4.427) 6.581 8.416 ( 0.213 -8.601 0.667) 8.629 9.605 ( 1.399 -1.876 0.104) 2.343 9.979 ( 0.278 -1.505 0.979) 1.817 10.217 ( 4.386 -4.844 7.869) 10.229 10.546 ( -3.978 -9.897 -8.618) 13.713 11.311 ( -0.007 0.366 -4.270) 4.286 12.555 ( -1.046 22.581 1.374) 22.647 16.214 ( -0.965 -1.210 0.719) 1.707 16.269 ( -0.767 -1.652 -2.254) 2.898 17.152 ( 1.908 0.949 -1.093) 2.395 17.235 ( -0.602 7.850 1.608) 8.036 17.408 ( -2.092 -0.474 0.465) 2.195 17.913 ( 2.834 -0.221 -0.760) 2.943 17.938 ( 0.390 -1.795 2.041) 2.746 18.912 ( 0.465 8.349 1.091) 8.433 ======================= Grid point 33 (23/250) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( -0.000 0.967 -0.000) 0.967 1.516 ( -0.000 3.820 -0.000) 3.820 1.703 ( -0.000 9.069 -0.000) 9.069 1.831 ( -0.000 3.898 -0.000) 3.898 1.921 ( 0.000 -5.625 0.000) 5.625 2.343 ( -0.000 1.949 -0.000) 1.949 2.455 ( 0.000 -7.503 0.000) 7.503 3.074 ( -0.000 0.995 -0.000) 0.995 3.236 ( 0.000 -10.043 0.000) 10.043 4.525 ( -0.000 1.122 -0.000) 1.122 4.690 ( 0.000 -1.833 0.000) 1.833 6.060 ( -0.000 7.030 -0.000) 7.030 6.108 ( 0.000 -1.808 0.000) 1.808 6.477 ( 0.000 -2.700 0.000) 2.700 6.729 ( -0.000 8.216 -0.000) 8.216 6.893 ( -0.000 2.352 -0.000) 2.352 6.925 ( -0.000 4.705 -0.000) 4.705 7.461 ( -0.000 4.350 -0.000) 4.350 7.834 ( 0.000 -4.563 0.000) 4.563 7.876 ( 0.000 -2.709 0.000) 2.709 8.073 ( -0.000 5.891 -0.000) 5.891 8.579 ( 0.000 -9.833 0.000) 9.833 9.655 ( 0.000 -3.166 0.000) 3.166 10.014 ( 0.000 -2.155 0.000) 2.155 10.344 ( 0.000 -4.721 0.000) 4.721 10.704 ( 0.000 -12.439 0.000) 12.439 11.296 ( -0.000 0.218 -0.000) 0.218 12.101 ( -0.000 28.667 -0.000) 28.667 16.240 ( 0.000 -2.059 0.000) 2.059 16.287 ( 0.000 -1.563 0.000) 1.563 17.100 ( -0.000 6.226 -0.000) 6.226 17.164 ( 0.000 -0.340 0.000) 0.340 17.407 ( 0.000 -0.565 0.000) 0.565 17.940 ( 0.000 -1.071 0.000) 1.071 17.946 ( -0.000 1.505 -0.000) 1.505 18.747 ( -0.000 10.953 -0.000) 10.953 ======================= Grid point 40 (24/250) ======================= q-point: ( 0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( -0.821 0.000 -0.102) 0.828 1.598 ( 8.128 -0.000 5.828) 10.001 1.670 ( 0.411 -0.000 1.873) 1.917 1.987 ( -8.786 0.000 -4.625) 9.929 2.145 ( -0.227 0.000 11.145) 11.148 2.193 ( 2.971 -0.000 1.999) 3.581 2.380 ( -6.115 0.000 -11.641) 13.149 2.863 ( 4.942 -0.000 4.017) 6.369 3.186 ( -0.154 0.000 0.027) 0.157 4.215 ( -2.546 0.000 -4.723) 5.366 4.985 ( 3.032 -0.000 -2.139) 3.711 6.074 ( 1.644 -0.000 2.043) 2.622 6.223 ( -2.404 0.000 0.945) 2.584 6.350 ( -0.001 0.000 0.873) 0.873 6.886 ( 10.462 -0.000 1.530) 10.573 7.030 ( 2.765 -0.000 4.061) 4.913 7.105 ( -7.235 0.000 0.277) 7.240 7.602 ( 2.034 -0.000 0.993) 2.263 7.679 ( 0.819 -0.000 -2.108) 2.261 7.830 ( -6.648 0.000 2.085) 6.967 8.238 ( 1.897 -0.000 1.176) 2.232 8.260 ( -2.291 0.000 -5.245) 5.724 9.574 ( 1.105 -0.000 3.289) 3.469 9.956 ( 0.656 -0.000 -1.257) 1.418 10.116 ( 5.201 -0.000 9.706) 11.012 10.355 ( -5.102 0.000 -12.736) 13.720 11.318 ( -0.405 0.000 -3.767) 3.789 12.967 ( -1.740 0.000 0.393) 1.784 16.194 ( -1.185 0.000 0.266) 1.215 16.235 ( -0.357 0.000 -1.392) 1.437 17.159 ( 0.314 -0.000 -1.034) 1.081 17.399 ( -2.059 0.000 0.173) 2.067 17.468 ( 1.976 -0.000 2.554) 3.229 17.853 ( 1.382 -0.000 2.727) 3.057 17.907 ( 1.319 -0.000 -2.567) 2.886 19.068 ( -0.072 0.000 1.742) 1.744 ======================= Grid point 41 (25/250) ======================= q-point: (-0.44 -0.56 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( 0.000 -2.682 0.000) 2.682 1.645 ( -0.000 3.167 -0.000) 3.167 1.690 ( 0.000 -2.945 0.000) 2.945 1.927 ( 0.000 -0.119 0.000) 0.119 2.067 ( -0.000 8.077 -0.000) 8.077 2.306 ( 0.000 -4.670 0.000) 4.670 2.307 ( 0.000 -0.829 0.000) 0.829 2.926 ( 0.000 -3.134 0.000) 3.134 3.179 ( -0.000 0.712 -0.000) 0.712 4.243 ( 0.000 -5.932 0.000) 5.932 4.948 ( -0.000 5.427 -0.000) 5.427 6.088 ( -0.000 0.148 -0.000) 0.148 6.199 ( -0.000 1.605 -0.000) 1.605 6.373 ( 0.000 -2.334 0.000) 2.334 6.944 ( -0.000 0.645 -0.000) 0.645 7.000 ( -0.000 5.540 -0.000) 5.540 7.051 ( -0.000 1.992 -0.000) 1.992 7.589 ( -0.000 2.678 -0.000) 2.678 7.705 ( 0.000 -2.484 0.000) 2.484 7.802 ( 0.000 -1.144 0.000) 1.144 8.218 ( -0.000 2.180 -0.000) 2.180 8.298 ( 0.000 -5.208 0.000) 5.208 9.593 ( 0.000 -0.605 0.000) 0.605 9.962 ( 0.000 -0.709 0.000) 0.709 10.213 ( 0.000 -2.246 0.000) 2.246 10.334 ( 0.000 -6.978 0.000) 6.978 11.305 ( -0.000 0.218 -0.000) 0.218 12.854 ( -0.000 11.993 -0.000) 11.993 16.194 ( 0.000 -0.632 0.000) 0.632 16.238 ( 0.000 -0.939 0.000) 0.939 17.158 ( 0.000 -0.042 0.000) 0.042 17.387 ( -0.000 2.498 -0.000) 2.498 17.401 ( -0.000 5.775 -0.000) 5.775 17.905 ( 0.000 -3.246 0.000) 3.246 17.912 ( 0.000 -0.468 0.000) 0.468 19.031 ( -0.000 4.622 -0.000) 4.622 ======================= Grid point 83 (26/250) ======================= q-point: ( 0.00 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.378 ( 2.521 -0.000 18.127) 18.302 0.400 ( 3.795 -0.000 19.325) 19.695 0.675 ( 10.893 -0.000 31.936) 33.743 2.023 ( -1.225 0.000 -0.308) 1.263 2.416 ( -2.050 0.000 -2.063) 2.908 2.484 ( 1.463 -0.000 -4.040) 4.297 2.718 ( 1.260 -0.000 2.987) 3.242 2.989 ( -0.444 0.000 3.625) 3.652 3.591 ( -3.988 0.000 1.882) 4.410 4.415 ( 0.977 -0.000 -1.153) 1.512 5.114 ( -8.265 0.000 -10.991) 13.752 5.592 ( 14.090 -0.000 -16.126) 21.415 6.318 ( -11.605 0.000 11.213) 16.137 6.378 ( 2.330 -0.000 -3.425) 4.143 6.676 ( 3.161 -0.000 2.189) 3.845 6.686 ( 9.951 -0.000 -1.724) 10.100 6.897 ( -0.214 0.000 4.116) 4.122 6.965 ( 4.123 -0.000 -0.625) 4.171 7.267 ( 7.388 -0.000 12.889) 14.856 7.947 ( -2.434 0.000 -0.825) 2.570 8.144 ( -15.239 0.000 1.002) 15.272 9.150 ( 0.483 -0.000 -7.368) 7.384 9.580 ( 4.332 -0.000 -2.556) 5.030 9.903 ( -4.574 0.000 4.069) 6.122 10.125 ( -0.444 0.000 -2.941) 2.975 10.649 ( 5.389 -0.000 0.525) 5.414 11.467 ( -5.758 0.000 1.264) 5.895 12.411 ( 29.011 -0.000 -8.709) 30.290 16.436 ( -3.162 0.000 -2.064) 3.775 16.451 ( 3.969 -0.000 -1.613) 4.284 17.147 ( -0.172 0.000 -2.827) 2.832 17.271 ( 1.882 -0.000 -3.542) 4.011 17.458 ( 3.300 -0.000 7.232) 7.949 17.499 ( 4.800 -0.000 4.834) 6.812 17.687 ( 0.184 -0.000 0.015) 0.185 18.911 ( -4.246 0.000 -0.697) 4.303 ======================= Grid point 84 (27/250) ======================= q-point: ( 0.11 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.518 ( 6.215 -3.048 15.305) 16.798 0.622 ( 12.684 -4.604 15.716) 20.714 1.028 ( 12.803 -7.913 25.142) 29.302 1.994 ( -4.829 0.040 -0.593) 4.866 2.347 ( -0.046 4.748 -1.678) 5.036 2.467 ( -1.395 0.567 -3.991) 4.266 2.743 ( 0.195 -0.297 2.989) 3.010 3.012 ( -0.264 -0.770 4.021) 4.102 3.563 ( -9.239 -4.124 0.732) 10.144 4.385 ( 3.570 5.203 -0.935) 6.379 4.971 ( -10.873 -2.580 -15.175) 18.845 5.662 ( 15.739 2.728 -12.989) 20.588 6.247 ( -5.287 1.719 5.144) 7.574 6.368 ( -4.337 -2.525 0.199) 5.022 6.636 ( -4.144 3.961 3.804) 6.880 6.749 ( 0.800 0.024 1.201) 1.444 6.888 ( 12.876 5.624 5.053) 14.932 7.133 ( 8.129 -5.749 4.312) 10.850 7.473 ( 9.418 -6.417 12.428) 16.863 7.950 ( -3.610 -2.681 -4.858) 6.620 8.052 ( -4.354 -0.197 1.331) 4.557 9.075 ( -4.122 1.954 -8.638) 9.769 9.729 ( -2.984 -10.812 -9.124) 14.458 9.894 ( -2.106 -2.206 1.668) 3.476 10.082 ( -2.726 1.184 -2.531) 3.904 10.671 ( 0.528 0.842 2.718) 2.894 11.409 ( -3.575 0.774 -1.034) 3.802 12.441 ( 25.838 20.110 -9.020) 33.961 16.404 ( -2.272 -0.905 -3.505) 4.273 16.462 ( 0.176 1.238 0.312) 1.288 17.145 ( -2.249 -0.510 -2.845) 3.662 17.301 ( 4.924 -0.850 -3.729) 6.235 17.447 ( -2.301 6.941 10.377) 12.695 17.523 ( 5.530 0.555 3.119) 6.373 17.736 ( -1.249 -5.476 -0.208) 5.620 18.692 ( 8.686 17.803 12.530) 23.439 ======================= Grid point 85 (28/250) ======================= q-point: ( 0.22 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.732 ( 7.570 -6.045 11.516) 15.049 0.924 ( 14.516 -6.361 12.185) 19.991 1.363 ( 9.630 -5.590 15.973) 19.471 1.899 ( -8.145 3.122 -0.826) 8.762 2.268 ( 1.864 4.355 -1.537) 4.980 2.393 ( -4.277 3.023 0.209) 5.241 2.762 ( -1.991 -1.963 1.016) 2.975 3.031 ( 1.091 1.450 3.936) 4.334 3.564 ( -12.521 -9.148 0.193) 15.508 4.309 ( 6.191 9.061 0.282) 10.977 4.873 ( -9.881 -7.499 -17.724) 21.633 5.688 ( 14.701 7.221 -7.407) 17.975 6.202 ( -0.765 0.997 -2.281) 2.604 6.375 ( -5.226 -3.113 1.851) 6.358 6.559 ( -3.697 1.911 6.286) 7.539 6.730 ( -1.623 2.427 5.259) 6.015 6.997 ( 15.234 1.858 3.389) 15.717 7.326 ( 7.232 -4.149 6.259) 10.426 7.762 ( 8.038 -9.184 10.520) 16.113 7.908 ( -3.513 -0.377 -4.419) 5.658 8.022 ( -2.372 0.664 -2.159) 3.275 8.933 ( -6.750 3.011 -9.434) 11.985 9.734 ( -7.169 -2.216 -7.339) 10.496 9.945 ( -3.456 -2.954 -2.047) 4.986 10.079 ( 2.376 -5.616 -0.519) 6.121 10.679 ( 1.527 0.749 1.916) 2.562 11.360 ( -2.707 0.352 -1.154) 2.964 12.269 ( 15.158 19.969 -3.112) 25.263 16.375 ( -1.739 0.538 -2.892) 3.417 16.435 ( -2.572 -0.037 0.578) 2.636 17.096 ( -2.688 1.568 -0.443) 3.143 17.301 ( -3.328 2.814 2.486) 5.017 17.403 ( 5.251 1.685 3.133) 6.342 17.605 ( 8.811 0.758 2.210) 9.116 17.820 ( -1.963 -6.318 -1.780) 6.852 18.622 ( 9.253 8.780 9.651) 15.995 ======================= Grid point 86 (29/250) ======================= q-point: ( 0.33 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( 8.455 -6.159 8.962) 13.775 1.236 ( 13.612 -6.842 9.156) 17.774 1.534 ( 2.218 -0.835 5.721) 6.192 1.729 ( -5.318 6.710 -0.367) 8.569 2.161 ( -5.447 6.437 -0.365) 8.440 2.343 ( -0.402 0.620 5.027) 5.081 2.780 ( -4.122 -3.801 -1.334) 5.764 3.013 ( 1.802 4.071 3.022) 5.381 3.632 ( -12.557 -13.239 0.606) 18.258 4.203 ( 7.257 11.468 1.581) 13.663 4.875 ( -7.226 -12.129 -18.456) 23.237 5.652 ( 13.585 10.843 -2.611) 17.577 6.166 ( 0.145 0.905 -4.701) 4.789 6.386 ( -3.289 -2.188 2.524) 4.687 6.552 ( -1.274 -0.308 5.483) 5.638 6.690 ( -1.631 3.230 6.741) 7.651 7.148 ( 14.374 -0.045 1.713) 14.476 7.464 ( 1.926 -2.570 5.493) 6.363 7.839 ( -5.449 -0.883 -3.498) 6.535 7.895 ( -5.595 2.154 0.218) 5.999 8.102 ( 11.240 -6.470 4.213) 13.636 8.761 ( -7.241 3.028 -9.651) 12.439 9.652 ( -6.068 -0.602 -6.582) 8.972 9.937 ( -0.354 -0.265 2.368) 2.409 10.275 ( 3.984 -11.650 -2.853) 12.639 10.686 ( 1.498 1.092 1.453) 2.355 11.336 ( -1.274 -0.130 -0.134) 1.288 12.047 ( 5.849 16.625 -0.215) 17.625 16.328 ( -1.530 1.440 -1.511) 2.588 16.423 ( -2.750 -1.585 -0.466) 3.208 17.048 ( -2.186 1.318 1.445) 2.933 17.224 ( -1.886 3.311 2.402) 4.505 17.456 ( 3.889 -0.634 -0.106) 3.942 17.682 ( 8.073 1.805 2.870) 8.756 17.891 ( -1.997 -5.207 -2.274) 6.022 18.612 ( 5.066 5.470 4.433) 8.674 ======================= Grid point 87 (30/250) ======================= q-point: ( 0.44 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( 6.600 0.466 7.462) 9.973 1.438 ( -1.769 -2.035 -1.619) 3.145 1.500 ( -3.768 0.834 1.080) 4.007 1.651 ( 11.133 4.180 4.093) 12.577 1.981 ( -7.659 5.303 4.069) 10.165 2.354 ( -1.103 0.773 4.090) 4.306 2.802 ( -5.200 -5.527 -2.528) 7.999 2.961 ( 1.968 5.173 1.641) 5.773 3.758 ( -9.007 -12.707 1.784) 15.677 4.084 ( 5.386 10.315 2.100) 11.825 4.969 ( -4.461 -14.632 -17.815) 23.481 5.573 ( 12.597 12.952 0.404) 18.073 6.147 ( 0.410 -0.759 -3.120) 3.237 6.406 ( 0.466 -0.888 0.837) 1.306 6.563 ( 1.032 2.248 4.377) 5.027 6.652 ( -3.018 1.661 7.282) 8.055 7.286 ( 10.474 0.052 -1.321) 10.557 7.465 ( -8.337 1.215 1.374) 8.537 7.743 ( -5.816 0.609 -1.786) 6.114 7.875 ( 3.427 -0.533 0.904) 3.584 8.272 ( -0.200 -1.439 0.053) 1.453 8.645 ( 0.553 -0.882 -6.309) 6.395 9.591 ( -3.423 -1.440 -5.454) 6.598 9.984 ( 4.648 -0.259 5.950) 7.554 10.454 ( 7.705 -1.487 -8.499) 11.568 10.727 ( -5.470 -8.528 7.498) 12.605 11.315 ( 0.924 3.217 -1.586) 3.704 11.846 ( -2.214 7.630 2.028) 8.199 16.289 ( -0.415 0.988 -1.131) 1.558 16.427 ( -3.081 -2.489 -0.685) 4.020 17.018 ( -1.208 1.051 2.354) 2.847 17.180 ( -1.127 0.760 1.036) 1.709 17.493 ( 2.092 -0.159 -0.516) 2.161 17.729 ( 6.427 3.140 3.557) 7.988 17.942 ( -1.727 -3.965 -1.323) 4.523 18.556 ( 0.284 5.132 -1.833) 5.457 ======================= Grid point 88 (31/250) ======================= q-point: (-0.44 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.044 ( -4.559 12.394 0.285) 13.209 1.343 ( -5.277 10.732 -0.935) 11.996 1.495 ( -4.707 -4.907 -0.157) 6.802 1.701 ( 3.636 3.325 6.918) 8.493 1.984 ( 8.583 -3.611 2.764) 9.713 2.322 ( -3.888 0.998 2.314) 4.633 2.839 ( -4.208 -5.067 -3.513) 7.464 2.900 ( 1.788 4.086 1.646) 4.754 3.845 ( 4.350 4.375 4.927) 7.895 4.026 ( -6.799 -6.632 -0.056) 9.499 5.116 ( -2.380 -14.839 -16.938) 22.644 5.476 ( 11.789 13.160 2.729) 17.878 6.177 ( 1.550 -2.869 -2.174) 3.920 6.431 ( 3.671 0.433 -0.772) 3.777 6.522 ( 2.182 5.987 2.940) 7.018 6.642 ( -4.397 -0.460 8.201) 9.317 7.276 ( -11.437 3.417 -2.187) 12.135 7.330 ( -0.713 2.629 -3.712) 4.604 7.735 ( 1.886 -0.724 -2.072) 2.894 7.945 ( 4.035 -1.148 3.867) 5.706 8.155 ( -9.337 3.409 -4.189) 10.786 8.752 ( 8.230 -5.139 -2.463) 10.011 9.593 ( 0.905 -2.801 -3.839) 4.838 10.079 ( 7.402 0.236 6.776) 10.038 10.407 ( 8.159 9.597 -8.000) 14.922 10.905 ( -10.510 -12.121 13.355) 20.874 11.207 ( -1.617 4.428 -8.995) 10.156 11.802 ( -4.981 -5.152 3.795) 8.109 16.281 ( 1.169 -0.144 -0.538) 1.294 16.437 ( -3.744 -3.056 -0.941) 4.924 17.008 ( -0.070 0.634 2.613) 2.690 17.184 ( -1.052 -1.923 0.723) 2.308 17.498 ( 0.596 1.025 0.036) 1.186 17.735 ( 4.439 4.438 3.643) 7.257 17.980 ( -1.040 -1.942 0.076) 2.204 18.426 ( -4.558 4.293 -7.509) 9.777 ======================= Grid point 89 (32/250) ======================= q-point: (-0.33 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.753 ( -6.056 13.261 -1.582) 14.664 1.056 ( -6.492 14.559 0.569) 15.950 1.331 ( -15.976 8.756 3.754) 18.601 1.838 ( 8.906 -5.210 4.077) 11.094 2.145 ( 8.373 -1.747 -2.133) 8.815 2.307 ( -1.965 -3.373 2.674) 4.731 2.808 ( 0.999 3.700 -2.466) 4.558 2.919 ( -2.005 -3.957 0.957) 4.538 3.774 ( 8.008 11.457 5.629) 15.069 4.137 ( -9.651 -13.733 -0.661) 16.798 5.257 ( -0.291 -10.263 -17.105) 19.950 5.407 ( 10.553 8.599 4.599) 14.369 6.252 ( 3.322 -3.986 -2.683) 5.841 6.439 ( 0.883 5.807 0.102) 5.875 6.460 ( 4.964 1.010 -0.813) 5.130 6.641 ( -3.754 0.460 9.906) 10.603 7.069 ( -14.212 2.509 -1.364) 14.496 7.247 ( -2.179 3.275 -4.635) 6.079 7.659 ( -4.606 7.265 -5.169) 10.035 8.015 ( 2.728 0.149 4.497) 5.262 8.069 ( -1.663 -2.836 -0.902) 3.410 8.913 ( 8.036 -4.957 -3.389) 10.032 9.668 ( 6.438 -2.987 -3.026) 7.716 10.157 ( 1.261 1.105 4.866) 5.147 10.279 ( 12.899 11.918 -4.269) 18.073 10.908 ( -6.078 5.763 3.235) 8.979 11.191 ( -11.812 -13.987 -3.270) 18.597 11.909 ( -7.335 -10.982 4.053) 13.814 16.314 ( 2.230 -1.638 0.341) 2.788 16.445 ( -4.019 -2.991 -1.087) 5.126 17.023 ( 1.052 -0.528 2.997) 3.220 17.224 ( -1.426 -3.595 0.572) 3.910 17.472 ( 0.083 2.531 1.475) 2.931 17.697 ( 1.837 5.514 2.279) 6.243 17.953 ( 0.351 5.596 -2.056) 5.972 18.298 ( -9.564 -3.870 -6.390) 12.136 ======================= Grid point 90 (33/250) ======================= q-point: (-0.22 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.472 ( -5.106 11.760 1.023) 12.862 0.731 ( -6.297 15.810 3.105) 17.299 0.984 ( -17.083 13.353 9.118) 23.522 1.998 ( 6.722 -0.405 2.890) 7.328 2.227 ( 1.440 -6.465 -2.980) 7.263 2.407 ( 4.452 -3.463 0.104) 5.642 2.745 ( 1.099 3.550 -1.281) 3.931 2.966 ( -0.974 -2.247 1.527) 2.886 3.692 ( 5.325 8.479 4.914) 11.153 4.269 ( -6.331 -11.001 -0.761) 12.715 5.272 ( 4.027 2.229 -8.479) 9.648 5.462 ( 5.628 -3.370 -6.171) 9.006 6.319 ( 4.332 3.271 -2.166) 5.844 6.385 ( 0.305 -3.318 -2.422) 4.119 6.487 ( 1.710 0.211 1.960) 2.610 6.636 ( -0.389 2.524 9.071) 9.424 6.911 ( -11.820 -0.759 -0.692) 11.864 7.147 ( -2.819 3.077 -2.608) 4.921 7.421 ( -5.170 10.404 -1.883) 11.769 8.031 ( 1.135 1.526 1.856) 2.658 8.140 ( -0.320 -4.518 1.226) 4.692 9.050 ( 7.070 -3.867 -4.933) 9.448 9.782 ( 12.757 0.095 -4.509) 13.530 10.069 ( -4.497 4.959 1.487) 6.858 10.265 ( 14.459 8.340 -2.620) 16.896 10.732 ( -6.853 3.743 -10.160) 12.814 11.318 ( -10.732 -12.907 4.848) 17.472 12.028 ( -14.673 -12.644 5.531) 20.144 16.376 ( 0.957 -3.104 -0.652) 3.313 16.452 ( -2.495 -2.096 0.563) 3.307 17.085 ( 2.859 -2.694 4.884) 6.268 17.271 ( -2.421 -3.507 -0.763) 4.330 17.434 ( 1.646 4.083 3.410) 5.568 17.578 ( -3.128 7.587 -4.600) 9.408 17.804 ( 2.480 8.926 -2.700) 9.650 18.337 ( -13.538 -14.375 4.072) 20.162 ======================= Grid point 91 (34/250) ======================= q-point: (-0.11 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.299 ( -1.694 4.891 12.667) 13.683 0.448 ( -7.208 10.406 11.721) 17.252 0.669 ( -5.911 14.707 21.873) 27.012 2.030 ( 1.831 1.151 0.429) 2.205 2.366 ( 0.548 -7.303 -1.427) 7.461 2.478 ( 4.253 -0.237 -3.654) 5.612 2.708 ( 1.005 1.554 0.896) 2.056 2.986 ( -0.235 0.250 2.631) 2.654 3.633 ( 1.015 4.426 3.353) 5.645 4.371 ( -2.266 -6.064 -0.901) 6.536 5.219 ( -1.234 1.685 -7.442) 7.730 5.532 ( 8.468 -1.715 -14.000) 16.451 6.300 ( 3.197 0.313 1.199) 3.429 6.406 ( -8.578 0.021 7.350) 11.296 6.559 ( 9.721 -2.482 -1.141) 10.098 6.639 ( 3.573 1.959 3.234) 5.202 6.853 ( -8.368 -4.430 0.236) 9.472 7.054 ( -2.588 4.045 -2.020) 5.209 7.237 ( 1.802 8.158 7.476) 11.211 8.003 ( 0.064 2.785 -0.467) 2.824 8.210 ( -6.362 -6.202 0.495) 8.899 9.137 ( 4.754 -1.829 -6.552) 8.299 9.806 ( 15.687 14.701 -15.532) 26.523 9.961 ( -4.068 3.499 1.882) 5.687 10.172 ( -1.883 5.060 -7.002) 8.842 10.606 ( 0.169 0.244 -6.046) 6.053 11.450 ( -4.864 -7.613 5.270) 10.459 12.123 ( -13.338 -14.074 11.059) 22.322 16.416 ( -0.592 -2.614 -3.238) 4.203 16.470 ( -1.136 -0.545 1.337) 1.837 17.217 ( 1.976 -1.862 4.831) 5.542 17.272 ( -0.027 0.307 -2.462) 2.481 17.333 ( 0.135 3.425 -3.766) 5.092 17.461 ( 2.782 2.924 5.557) 6.868 17.712 ( 2.391 4.555 0.680) 5.189 18.579 ( -15.719 -28.176 14.254) 35.272 ======================= Grid point 93 (35/250) ======================= q-point: ( 0.11 0.11 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.634 ( 6.833 -0.000 14.770) 16.274 0.802 ( 15.108 -0.000 15.341) 21.531 1.246 ( 17.920 -0.000 24.012) 29.962 1.938 ( -6.381 0.000 0.194) 6.384 2.375 ( -0.515 0.000 -1.565) 1.648 2.435 ( -2.180 0.000 -3.859) 4.432 2.764 ( -0.886 0.000 4.871) 4.951 2.998 ( -3.319 0.000 4.941) 5.953 3.418 ( -11.624 0.000 -1.186) 11.684 4.453 ( 4.060 -0.000 -6.226) 7.433 4.768 ( -10.902 0.000 -12.676) 16.719 5.807 ( 19.145 -0.000 -14.163) 23.814 6.263 ( -6.096 0.000 -4.639) 7.660 6.273 ( -2.300 0.000 10.755) 10.998 6.635 ( -7.256 0.000 3.787) 8.185 6.766 ( 1.108 -0.000 3.498) 3.670 7.150 ( 9.400 -0.000 5.067) 10.678 7.167 ( 16.511 -0.000 5.388) 17.368 7.557 ( 6.311 -0.000 14.209) 15.547 7.877 ( -2.190 0.000 -3.060) 3.763 8.019 ( -1.538 0.000 -1.217) 1.962 8.986 ( -8.331 0.000 -9.242) 12.443 9.615 ( -1.790 0.000 2.292) 2.908 9.874 ( 0.367 -0.000 0.915) 0.986 10.038 ( -4.309 0.000 -2.088) 4.788 10.661 ( -3.931 0.000 1.583) 4.238 11.370 ( -2.781 0.000 -2.996) 4.088 12.791 ( 20.553 -0.000 -27.062) 33.983 16.340 ( -2.972 0.000 -4.152) 5.106 16.458 ( -4.330 0.000 1.894) 4.726 17.127 ( 0.545 -0.000 -2.700) 2.755 17.338 ( 2.922 -0.000 -2.773) 4.028 17.526 ( 3.297 -0.000 3.359) 4.707 17.607 ( 2.663 -0.000 7.123) 7.604 17.672 ( -1.305 0.000 3.145) 3.405 18.966 ( 5.007 -0.000 -0.656) 5.050 ======================= Grid point 94 (36/250) ======================= q-point: ( 0.22 0.11 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.794 ( 7.633 -3.034 11.874) 14.438 1.049 ( 14.084 -3.198 13.797) 19.973 1.528 ( 15.619 0.116 16.947) 23.047 1.861 ( -6.972 1.186 1.501) 7.229 2.331 ( -1.041 3.234 -1.939) 3.912 2.390 ( -2.962 0.770 -0.492) 3.099 2.738 ( -4.409 1.931 3.898) 6.193 3.022 ( -4.091 -4.568 5.389) 8.164 3.314 ( -11.681 -2.835 -2.388) 12.255 4.433 ( 1.758 -0.572 -13.125) 13.255 4.644 ( -4.175 0.767 -6.987) 8.175 5.915 ( 18.754 3.693 -11.664) 22.392 6.177 ( -4.187 0.135 -4.659) 6.266 6.327 ( -0.435 -1.113 9.401) 9.476 6.563 ( -6.524 1.129 5.571) 8.653 6.791 ( 1.794 1.586 5.396) 5.904 7.223 ( 12.628 3.870 5.106) 14.160 7.379 ( 9.535 -1.923 5.451) 11.150 7.714 ( -0.822 -5.816 10.194) 11.765 7.858 ( -0.384 -1.305 -2.031) 2.445 8.012 ( 2.579 -0.251 -2.730) 3.764 8.832 ( -11.013 1.090 -9.598) 14.649 9.614 ( -4.483 -1.559 -0.463) 4.769 9.901 ( 1.083 -1.074 1.439) 2.097 10.017 ( -1.086 -2.632 0.528) 2.896 10.642 ( -4.181 -2.903 -0.848) 5.160 11.328 ( -1.817 0.276 -3.473) 3.929 12.710 ( 14.442 15.309 -18.450) 27.989 16.310 ( -2.452 -1.727 -4.622) 5.509 16.408 ( -5.670 0.414 2.304) 6.134 17.107 ( 0.267 1.618 -2.194) 2.739 17.323 ( -0.350 1.944 0.546) 2.049 17.533 ( 3.367 4.343 3.454) 6.491 17.689 ( 2.838 -5.135 -2.505) 6.379 17.720 ( 3.027 -0.337 8.453) 8.985 18.913 ( 5.909 9.545 2.320) 11.463 ======================= Grid point 95 (37/250) ======================= q-point: ( 0.33 0.11 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( 7.429 -5.788 7.825) 12.244 1.312 ( 11.790 -4.770 11.379) 17.066 1.627 ( 0.228 5.734 7.084) 9.117 1.815 ( 4.731 2.741 4.302) 6.957 2.210 ( -6.351 6.052 0.542) 8.790 2.368 ( -0.946 0.195 4.127) 4.238 2.671 ( -7.334 -0.869 -0.187) 7.388 3.086 ( 0.722 -0.567 3.913) 4.020 3.274 ( -13.551 -9.866 -1.156) 16.802 4.421 ( 5.088 0.044 -11.577) 12.645 4.575 ( -2.593 -1.026 -7.868) 8.348 5.950 ( 15.372 7.712 -6.431) 18.361 6.127 ( -2.040 -0.399 -5.567) 5.942 6.377 ( 0.184 -0.474 7.722) 7.739 6.543 ( -2.332 -1.196 5.645) 6.224 6.792 ( 2.336 3.926 6.937) 8.306 7.317 ( 11.604 2.186 3.177) 12.228 7.468 ( -0.218 -0.104 4.396) 4.402 7.732 ( -8.123 -1.681 -1.367) 8.407 7.886 ( 0.279 -0.233 0.301) 0.472 8.124 ( 9.222 -4.878 2.517) 10.732 8.653 ( -11.148 0.705 -9.628) 14.747 9.570 ( -3.436 0.040 -4.281) 5.489 9.944 ( 1.610 -1.355 4.796) 5.237 10.127 ( 2.125 -8.050 2.092) 8.585 10.660 ( -3.104 -3.857 -3.159) 5.873 11.303 ( -1.398 -0.770 -1.134) 1.958 12.448 ( 9.073 20.698 -10.481) 24.912 16.296 ( -1.987 -1.236 -4.012) 4.644 16.362 ( -4.882 -0.731 1.160) 5.071 17.067 ( 0.353 2.232 -0.898) 2.431 17.272 ( -1.489 3.270 1.358) 3.841 17.513 ( 1.657 1.999 1.914) 3.226 17.779 ( 0.282 -3.548 1.310) 3.793 17.809 ( 7.022 -0.414 2.870) 7.598 18.816 ( 4.797 9.241 2.168) 10.635 ======================= Grid point 96 (38/250) ======================= q-point: ( 0.44 0.11 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( 5.103 -7.750 2.889) 9.719 1.448 ( -2.778 7.753 2.467) 8.597 1.547 ( 4.104 0.617 8.693) 9.633 1.851 ( 9.927 4.145 4.035) 11.489 2.022 ( -8.449 6.647 5.207) 11.945 2.374 ( -2.088 0.822 4.625) 5.141 2.632 ( -7.366 -4.710 -3.345) 9.361 3.065 ( 1.354 4.155 0.003) 4.370 3.386 ( -10.740 -15.712 2.426) 19.185 4.373 ( 8.890 10.755 -2.116) 14.114 4.609 ( -3.123 -12.558 -15.033) 19.836 5.911 ( 12.338 10.740 -3.014) 16.633 6.101 ( -1.205 -1.151 -2.876) 3.324 6.423 ( 1.210 -0.991 3.864) 4.168 6.588 ( 1.010 -1.152 5.774) 5.974 6.762 ( 2.209 5.969 6.947) 9.422 7.373 ( -1.278 2.124 -1.259) 2.780 7.419 ( -3.171 2.272 1.359) 4.131 7.680 ( -1.897 -1.514 -2.152) 3.244 7.912 ( 3.268 -0.361 2.500) 4.131 8.241 ( -2.295 -0.061 -1.839) 2.942 8.559 ( -2.030 -4.703 -5.591) 7.583 9.530 ( -0.124 -0.587 -5.132) 5.167 10.028 ( 2.899 -2.285 6.393) 7.382 10.335 ( 3.348 -10.955 2.622) 11.751 10.662 ( -2.568 -1.563 -5.136) 5.951 11.323 ( -0.861 -2.149 3.524) 4.216 12.101 ( 2.548 21.320 -6.172) 22.341 16.279 ( -0.928 -0.441 -2.362) 2.576 16.344 ( -4.041 -2.081 -0.630) 4.589 17.035 ( 0.357 1.628 0.413) 1.717 17.206 ( -1.415 2.691 0.683) 3.116 17.510 ( -0.256 0.220 0.911) 0.971 17.837 ( 0.908 -1.027 4.390) 4.599 17.887 ( 5.487 -0.332 -0.160) 5.499 18.696 ( 2.189 9.464 -1.234) 9.792 ======================= Grid point 97 (39/250) ======================= q-point: (-0.44 0.11 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( -8.794 9.705 -0.774) 13.119 1.363 ( 1.722 -0.882 -3.156) 3.702 1.553 ( 4.167 7.319 10.425) 13.401 1.798 ( -5.196 5.460 5.010) 9.050 2.035 ( 9.022 -3.629 5.605) 11.225 2.317 ( -4.778 2.809 1.436) 5.726 2.664 ( -4.636 -7.395 -2.549) 9.092 2.998 ( 1.118 4.485 -0.898) 4.709 3.581 ( -8.037 -15.974 2.707) 18.085 4.240 ( 6.832 13.011 0.634) 14.709 4.775 ( 0.598 -14.864 -14.561) 20.817 5.812 ( 9.092 11.953 -0.998) 15.051 6.124 ( 0.731 -2.790 -1.441) 3.224 6.466 ( 1.884 -0.724 1.319) 2.411 6.640 ( 1.058 -0.093 6.622) 6.707 6.690 ( 1.776 7.517 4.403) 8.891 7.196 ( -14.164 3.980 -0.807) 14.734 7.368 ( 0.320 3.457 -3.949) 5.258 7.740 ( 5.434 -2.106 -1.330) 5.978 7.970 ( 1.214 -1.457 2.584) 3.206 8.108 ( -7.934 3.863 -2.771) 9.250 8.682 ( 3.639 -7.903 -3.643) 9.432 9.556 ( 4.236 -2.528 -3.720) 6.178 10.120 ( 0.799 -2.629 4.645) 5.397 10.552 ( 11.888 -1.917 -13.285) 17.930 10.646 ( -9.318 -7.999 10.401) 16.093 11.342 ( 1.115 5.947 4.480) 7.529 11.762 ( -5.892 10.184 -1.040) 11.812 16.279 ( 0.870 -0.740 -1.554) 1.928 16.342 ( -3.667 -2.670 -0.860) 4.617 17.020 ( -0.176 0.750 1.328) 1.536 17.169 ( -0.513 0.464 0.148) 0.707 17.502 ( -1.986 -0.164 0.801) 2.147 17.866 ( 2.052 2.617 6.051) 6.905 17.934 ( 2.150 -1.541 -1.961) 3.293 18.517 ( -0.031 10.742 -4.689) 11.721 ======================= Grid point 98 (40/250) ======================= q-point: (-0.33 0.11 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( -5.305 12.549 0.083) 13.625 1.215 ( -5.523 10.399 -5.128) 12.843 1.442 ( -5.112 12.729 13.670) 19.365 1.827 ( 5.851 -6.040 1.750) 8.589 2.214 ( -0.320 3.524 -0.855) 3.640 2.226 ( 2.086 -6.189 3.568) 7.442 2.752 ( -1.490 -6.788 -1.652) 7.143 2.930 ( 0.845 4.019 -0.251) 4.115 3.790 ( -6.031 -15.249 1.992) 16.518 4.079 ( 4.370 12.724 2.323) 13.652 4.986 ( 3.808 -13.665 -13.646) 19.684 5.683 ( 5.317 10.982 -0.687) 12.221 6.195 ( 2.189 -4.326 -1.410) 5.049 6.495 ( 1.474 0.067 0.881) 1.719 6.570 ( -1.885 7.217 2.599) 7.899 6.682 ( 2.982 1.138 4.708) 5.688 6.986 ( -12.416 3.822 0.241) 12.994 7.282 ( -0.308 4.320 -2.813) 5.165 7.738 ( 0.470 6.494 -3.374) 7.333 7.986 ( -1.876 -3.659 -1.795) 4.486 8.055 ( 0.571 -0.166 5.033) 5.068 8.839 ( 3.872 -7.878 -5.033) 10.119 9.668 ( 8.068 -4.312 -2.098) 9.386 10.153 ( -3.796 -0.862 1.263) 4.092 10.511 ( 5.813 4.174 -13.347) 15.144 10.863 ( -0.841 -12.120 8.445) 14.795 11.093 ( -1.697 18.340 -3.656) 18.778 11.710 ( -9.387 -6.663 11.916) 16.568 16.304 ( 1.398 -1.440 -2.392) 3.123 16.360 ( -1.893 -2.900 1.280) 3.692 17.021 ( -0.628 -0.710 1.921) 2.142 17.178 ( 0.241 -1.328 0.283) 1.379 17.483 ( -2.886 -0.084 1.138) 3.103 17.821 ( -0.196 5.945 0.834) 6.006 17.976 ( 0.288 -1.992 0.108) 2.016 18.301 ( 0.045 10.851 -3.533) 11.412 ======================= Grid point 99 (41/250) ======================= q-point: (-0.22 0.11 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.687 ( 0.721 12.812 3.189) 13.222 0.905 ( -8.386 13.814 -3.016) 16.439 1.213 ( -2.746 15.193 16.437) 22.550 2.030 ( 6.650 -7.569 1.156) 10.142 2.124 ( -5.403 0.760 -1.922) 5.785 2.376 ( 3.353 -4.911 0.337) 5.956 2.805 ( 1.627 1.401 -2.818) 3.543 2.912 ( -0.418 -2.526 2.845) 3.828 3.909 ( -0.297 9.936 2.150) 10.170 4.007 ( -1.769 -12.629 2.354) 12.967 5.179 ( 6.353 -8.618 -15.094) 18.506 5.543 ( 0.283 6.810 -2.050) 7.118 6.290 ( -0.077 -4.893 -2.794) 5.635 6.444 ( 1.953 6.117 0.716) 6.461 6.509 ( -0.898 0.037 4.599) 4.686 6.706 ( 2.349 1.255 2.481) 3.640 6.825 ( -8.644 2.372 1.676) 9.119 7.198 ( 0.914 4.721 -0.046) 4.809 7.585 ( 2.269 10.087 1.512) 10.449 8.035 ( -0.863 -2.882 -2.235) 3.748 8.085 ( -0.821 -0.880 3.199) 3.418 8.982 ( 3.473 -6.805 -6.283) 9.892 9.838 ( 10.092 -4.981 -2.251) 11.477 10.081 ( -6.113 2.861 -0.343) 6.758 10.434 ( 2.201 3.925 -15.866) 16.492 10.727 ( -7.698 9.738 -9.619) 15.704 11.131 ( 7.881 -8.066 8.299) 14.002 11.798 ( -11.397 -6.956 19.273) 23.446 16.332 ( 1.034 -2.134 -3.054) 3.867 16.414 ( 0.516 -2.442 3.195) 4.055 17.061 ( -0.212 -3.370 3.670) 4.987 17.212 ( 0.241 -1.831 0.444) 1.899 17.464 ( -2.397 -0.412 1.771) 3.009 17.653 ( -4.583 8.504 -8.029) 12.562 17.967 ( 0.820 4.790 -1.007) 4.963 18.189 ( 1.748 2.207 8.315) 8.779 ======================= Grid point 100 (42/250) ======================= q-point: (-0.11 0.11 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.542 ( 7.133 11.646 6.071) 14.945 0.616 ( -3.081 10.281 10.052) 14.705 1.041 ( 4.238 14.317 20.626) 25.463 2.048 ( -3.755 1.041 -0.965) 4.014 2.225 ( 2.107 -8.415 -0.808) 8.712 2.460 ( 0.455 -3.054 -2.739) 4.128 2.760 ( 1.081 2.973 -0.338) 3.182 2.980 ( 0.400 -2.355 3.244) 4.029 3.735 ( -4.499 8.121 2.286) 9.561 4.218 ( 1.239 -10.526 1.077) 10.653 5.180 ( -3.050 3.203 -15.633) 16.246 5.524 ( 7.227 -3.571 -7.616) 11.090 6.277 ( -5.804 -0.339 0.117) 5.815 6.423 ( 1.443 2.424 1.179) 3.058 6.566 ( 0.174 -4.264 6.814) 8.040 6.717 ( 6.427 1.709 -0.500) 6.669 6.756 ( -4.161 -1.039 2.940) 5.200 7.146 ( 4.112 4.926 2.813) 7.006 7.480 ( 7.473 9.853 8.027) 14.743 8.030 ( -1.561 0.348 -4.347) 4.632 8.089 ( -4.464 -1.053 1.843) 4.943 9.074 ( 0.652 -4.495 -7.526) 8.790 9.946 ( -5.070 0.258 -5.957) 7.826 9.997 ( 7.261 2.887 -1.780) 8.015 10.171 ( -8.836 8.806 -20.084) 23.643 10.615 ( 1.393 -0.847 1.440) 2.175 11.363 ( 6.216 -5.560 -0.094) 8.340 11.948 ( 0.629 -10.900 21.248) 23.889 16.381 ( 2.517 -2.577 -2.007) 4.124 16.458 ( -0.358 -0.721 1.123) 1.382 17.156 ( -2.465 -4.718 3.854) 6.572 17.265 ( 2.850 -3.261 3.757) 5.734 17.410 ( -3.979 7.150 -8.603) 11.873 17.473 ( 0.934 -0.439 1.828) 2.100 17.856 ( 0.520 7.317 -0.420) 7.348 18.318 ( 4.146 -6.910 17.448) 19.219 ======================= Grid point 103 (43/250) ======================= q-point: ( 0.22 0.22 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( 5.871 -0.000 9.306) 11.003 1.220 ( 12.234 -0.000 13.816) 18.454 1.781 ( 16.462 -0.000 13.565) 21.331 1.807 ( -6.704 0.000 3.398) 7.516 2.347 ( -2.619 0.000 0.071) 2.620 2.348 ( -3.492 0.000 -1.257) 3.711 2.761 ( -3.218 0.000 5.714) 6.558 2.858 ( -15.766 0.000 4.003) 16.266 3.217 ( -3.660 0.000 -2.618) 4.500 4.292 ( -4.228 0.000 -20.126) 20.565 4.686 ( 5.951 -0.000 -1.465) 6.129 6.086 ( 19.025 -0.000 -14.180) 23.728 6.107 ( -4.538 0.000 -3.300) 5.611 6.389 ( 3.280 -0.000 11.709) 12.160 6.515 ( -8.393 0.000 5.648) 10.116 6.864 ( 4.276 -0.000 5.753) 7.168 7.375 ( 7.028 -0.000 5.270) 8.785 7.509 ( 10.658 -0.000 1.233) 10.729 7.651 ( -9.360 0.000 9.163) 13.098 7.844 ( 2.697 -0.000 -0.649) 2.774 8.047 ( 6.262 -0.000 -0.424) 6.277 8.668 ( -13.839 0.000 -9.247) 16.644 9.575 ( -2.860 0.000 2.190) 3.602 9.921 ( 2.020 -0.000 2.405) 3.141 9.990 ( 0.573 -0.000 2.444) 2.510 10.539 ( -6.537 0.000 -4.030) 7.680 11.301 ( -0.570 0.000 -4.672) 4.707 12.878 ( 9.894 -0.000 -19.787) 22.123 16.254 ( -1.541 0.000 -3.937) 4.228 16.357 ( -6.357 0.000 2.166) 6.715 17.120 ( 0.913 -0.000 -2.066) 2.259 17.351 ( 1.564 -0.000 -0.911) 1.809 17.575 ( -4.401 0.000 0.236) 4.407 17.687 ( 8.479 -0.000 -0.321) 8.485 17.792 ( 2.533 -0.000 9.731) 10.055 19.039 ( 2.639 -0.000 -0.769) 2.749 ======================= Grid point 104 (44/250) ======================= q-point: ( 0.33 0.22 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( 3.397 -3.433 5.627) 7.416 1.415 ( 9.942 -2.347 12.323) 16.007 1.728 ( -4.223 4.212 5.324) 7.995 1.969 ( 11.384 1.554 7.015) 13.462 2.245 ( -6.219 4.686 1.748) 7.981 2.345 ( -3.855 -1.803 2.530) 4.951 2.614 ( -10.572 4.007 1.305) 11.381 2.905 ( -7.574 -11.109 4.709) 14.246 3.173 ( -0.787 1.560 -1.848) 2.544 4.227 ( -1.204 -5.924 -18.283) 19.257 4.703 ( 7.262 4.961 -2.565) 9.161 6.061 ( -1.607 0.020 -1.731) 2.362 6.180 ( 14.393 2.579 -12.387) 19.164 6.416 ( -4.003 2.017 8.381) 9.505 6.530 ( 2.986 -2.466 7.119) 8.104 6.917 ( 4.676 2.451 6.055) 8.034 7.434 ( -0.343 1.293 4.023) 4.240 7.518 ( -0.358 3.584 3.413) 4.962 7.619 ( -3.523 -2.221 -2.723) 4.976 7.906 ( 4.175 -0.503 3.171) 5.267 8.147 ( 6.920 -3.074 1.892) 7.805 8.483 ( -13.579 -0.421 -8.807) 16.191 9.548 ( -1.069 1.156 -1.299) 2.041 9.963 ( 1.578 -1.080 4.884) 5.245 10.067 ( 3.929 -4.121 5.082) 7.632 10.495 ( -6.826 -5.204 -5.591) 10.244 11.280 ( 0.139 -0.164 -2.872) 2.880 12.772 ( 6.996 12.310 -14.935) 20.580 16.238 ( -0.799 -1.201 -3.493) 3.779 16.306 ( -5.391 -0.336 1.468) 5.597 17.108 ( 1.401 1.541 -1.541) 2.591 17.332 ( 1.418 3.598 -1.417) 4.119 17.527 ( -4.189 0.375 0.899) 4.301 17.770 ( 5.963 -0.774 -0.047) 6.013 17.872 ( 2.665 -1.564 7.277) 7.906 18.999 ( 2.292 6.201 -0.712) 6.650 ======================= Grid point 105 (45/250) ======================= q-point: ( 0.44 0.22 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( -0.580 -5.517 1.724) 5.810 1.567 ( 2.691 3.086 5.674) 6.997 1.653 ( 2.790 1.595 8.208) 8.815 2.016 ( 2.485 4.866 3.640) 6.566 2.089 ( -5.436 6.144 5.375) 9.808 2.365 ( -2.981 -2.056 5.900) 6.923 2.479 ( -8.670 -0.820 -3.719) 9.469 3.058 ( -5.781 -10.609 1.286) 12.150 3.138 ( 1.362 0.760 1.118) 1.919 4.304 ( 2.027 -10.818 -15.121) 18.702 4.642 ( 6.825 8.945 -2.438) 11.512 6.055 ( 0.608 -0.324 -1.002) 1.216 6.167 ( 7.464 6.616 -6.613) 11.967 6.408 ( -2.227 -1.931 3.950) 4.929 6.640 ( 6.784 -0.183 5.843) 8.955 6.920 ( 3.115 5.071 5.293) 7.965 7.316 ( -13.565 2.852 1.289) 13.922 7.482 ( 1.326 3.231 -1.477) 3.792 7.652 ( 4.363 -2.234 -1.158) 5.036 7.945 ( 0.251 0.272 3.386) 3.406 8.214 ( -2.917 1.316 -2.211) 3.890 8.410 ( -2.343 -6.788 -3.518) 7.997 9.519 ( 1.870 0.482 -4.205) 4.627 10.026 ( 0.243 -2.216 4.897) 5.381 10.252 ( 6.227 -7.257 8.565) 12.837 10.507 ( -6.441 -6.610 -7.834) 12.105 11.297 ( 0.522 -1.802 2.683) 3.274 12.483 ( 4.079 20.626 -10.758) 23.618 16.243 ( 0.018 -1.373 -2.890) 3.200 16.275 ( -4.025 -1.093 0.776) 4.243 17.088 ( 2.388 2.311 -0.925) 3.450 17.253 ( -0.812 4.567 -0.956) 4.736 17.490 ( -3.800 -0.338 0.984) 3.940 17.839 ( 4.076 -1.143 0.470) 4.259 17.948 ( 2.253 -0.725 4.704) 5.266 18.880 ( 1.893 9.153 -2.070) 9.573 ======================= Grid point 106 (46/250) ======================= q-point: ( 0.56 0.22 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( -6.309 -1.725 0.343) 6.549 1.467 ( 2.030 7.423 -0.452) 7.708 1.744 ( 5.706 1.204 5.456) 7.986 1.862 ( -7.789 8.939 7.936) 14.267 2.053 ( -2.384 -1.816 3.777) 4.822 2.348 ( -1.302 3.345 1.858) 4.042 2.483 ( -2.999 -7.376 -0.449) 7.975 3.059 ( -0.055 2.158 -2.339) 3.183 3.282 ( -3.189 -12.465 3.955) 13.461 4.492 ( 3.154 -13.031 -10.015) 16.735 4.520 ( 7.088 11.108 -2.606) 13.432 6.031 ( 1.841 6.071 -4.345) 7.689 6.108 ( 2.786 1.203 -0.381) 3.059 6.451 ( -0.155 -2.446 1.219) 2.737 6.711 ( 4.666 1.927 4.949) 7.069 6.850 ( 0.789 6.838 1.986) 7.164 7.120 ( -13.146 3.607 0.343) 13.636 7.424 ( 1.502 3.730 -2.434) 4.700 7.752 ( 5.798 -3.108 -0.654) 6.611 7.933 ( -4.498 -0.825 -1.077) 4.698 8.122 ( -2.233 3.841 2.686) 5.192 8.540 ( 1.205 -8.762 -3.579) 9.541 9.550 ( 4.998 -2.139 -3.785) 6.624 10.077 ( -2.167 -2.489 2.684) 4.254 10.482 ( -6.849 -6.512 9.989) 13.751 10.521 ( 8.224 -6.659 -11.875) 15.905 11.382 ( 0.422 -3.657 11.055) 11.652 12.058 ( 0.105 25.269 -8.593) 26.691 16.255 ( -0.545 -1.525 -2.932) 3.350 16.276 ( -0.907 -1.741 1.651) 2.565 17.064 ( 1.977 3.080 -0.430) 3.685 17.179 ( -1.169 1.643 -0.236) 2.031 17.465 ( -3.770 -0.682 0.955) 3.948 17.900 ( 3.105 -1.307 1.459) 3.671 17.968 ( -0.085 1.646 1.274) 2.083 18.708 ( 1.674 11.130 -3.390) 11.755 ======================= Grid point 107 (47/250) ======================= q-point: (-0.33 0.22 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( -4.529 6.399 2.903) 8.360 1.332 ( 0.171 10.197 -5.191) 11.443 1.656 ( -7.755 8.242 7.226) 13.427 1.807 ( 5.152 -0.475 3.777) 6.406 2.092 ( -6.768 -5.444 1.336) 8.788 2.301 ( 1.939 2.308 1.266) 3.269 2.612 ( 0.716 -7.782 1.924) 8.049 3.005 ( 1.107 3.636 -1.543) 4.102 3.496 ( -3.138 -14.200 3.007) 14.851 4.348 ( 2.774 12.934 1.421) 13.304 4.750 ( 7.487 -13.932 -9.528) 18.464 5.871 ( -0.805 9.612 -5.933) 11.325 6.147 ( 1.260 -2.489 -0.758) 2.891 6.489 ( -0.479 -1.593 1.140) 2.017 6.672 ( -2.881 5.994 2.898) 7.255 6.779 ( 5.289 3.557 -1.094) 6.467 6.940 ( -10.339 3.708 1.770) 11.126 7.365 ( 2.296 4.603 -0.036) 5.144 7.840 ( 5.243 1.269 -1.787) 5.682 7.901 ( -1.511 -2.399 -2.152) 3.560 8.074 ( -2.549 1.652 6.618) 7.282 8.693 ( 2.001 -9.240 -5.318) 10.847 9.658 ( 6.513 -4.666 -1.980) 8.253 10.084 ( -4.454 -1.645 -0.575) 4.783 10.448 ( -6.355 -2.479 -8.207) 10.672 10.758 ( 7.660 -7.820 1.010) 10.993 11.462 ( 5.075 13.810 6.601) 16.126 11.618 ( -8.498 6.960 4.920) 12.036 16.265 ( -0.509 -1.860 -2.379) 3.062 16.327 ( 1.685 -2.249 2.885) 4.028 17.025 ( -0.382 1.616 0.044) 1.661 17.173 ( 0.824 -0.482 0.716) 1.193 17.443 ( -3.317 -0.636 0.772) 3.464 17.889 ( -3.577 4.800 -3.473) 6.921 17.962 ( 2.297 -1.455 1.729) 3.222 18.517 ( 2.802 11.575 -1.393) 11.990 ======================= Grid point 108 (48/250) ======================= q-point: (-0.22 0.22 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.921 ( 2.895 8.972 6.485) 11.442 1.069 ( -2.502 14.343 -5.216) 15.466 1.487 ( -2.257 9.922 10.928) 14.932 1.896 ( -3.242 -6.737 -1.639) 7.654 2.107 ( -0.584 -1.585 -0.093) 1.691 2.323 ( -0.491 -2.503 1.863) 3.159 2.764 ( 2.459 -6.135 1.573) 6.794 2.944 ( 0.596 3.670 0.008) 3.718 3.737 ( -0.819 -14.180 2.117) 14.360 4.143 ( -0.876 12.645 3.056) 13.038 5.027 ( 9.788 -11.749 -9.568) 18.038 5.636 ( -5.387 9.604 -8.048) 13.639 6.195 ( -1.259 -3.505 -3.205) 4.913 6.505 ( -2.310 -0.793 4.228) 4.882 6.559 ( -0.183 5.050 0.854) 5.125 6.788 ( 7.642 2.686 -1.390) 8.219 6.794 ( -9.012 2.669 2.919) 9.842 7.320 ( 4.036 4.970 3.232) 7.171 7.813 ( 8.373 7.851 2.944) 11.850 7.950 ( -0.924 -3.612 -3.145) 4.878 8.060 ( -4.622 -1.117 4.041) 6.240 8.844 ( 1.705 -8.472 -6.613) 10.882 9.804 ( 3.716 -5.651 -0.939) 6.828 10.042 ( -3.952 -0.302 -4.302) 5.850 10.385 ( -3.129 -0.321 -10.286) 10.756 10.810 ( -3.864 9.198 -3.175) 10.470 11.220 ( 10.556 4.690 -3.944) 12.206 11.694 ( -6.503 -5.625 22.824) 24.390 16.293 ( 0.790 -2.327 -1.641) 2.955 16.402 ( 1.871 -2.108 3.595) 4.568 17.019 ( -0.969 -1.714 1.756) 2.638 17.201 ( 0.738 -0.909 1.440) 1.856 17.432 ( -1.396 -0.723 0.304) 1.601 17.707 ( -4.652 7.319 -8.101) 11.867 18.000 ( 0.667 0.340 0.848) 1.131 18.383 ( 5.042 8.273 4.722) 10.778 ======================= Grid point 109 (49/250) ======================= q-point: (-0.11 0.22 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( 0.351 11.553 3.630) 12.115 0.876 ( 11.485 9.283 8.598) 17.088 1.372 ( 3.153 9.666 13.291) 16.734 1.925 ( -9.200 -5.489 -2.904) 11.100 2.169 ( 4.336 -3.073 -0.147) 5.316 2.370 ( -3.576 -4.096 0.889) 5.510 2.819 ( 0.887 2.685 -1.430) 3.169 2.951 ( 1.002 -3.342 3.998) 5.306 3.831 ( -6.830 7.555 0.538) 10.199 4.071 ( 3.240 -8.791 3.717) 10.080 5.149 ( 0.007 3.750 -17.225) 17.628 5.482 ( 3.079 -4.031 -4.241) 6.612 6.206 ( -2.105 -1.936 -3.824) 4.775 6.479 ( -2.751 3.460 -0.512) 4.450 6.528 ( -2.199 -1.243 7.579) 7.989 6.711 ( -5.486 -0.537 4.318) 7.002 6.844 ( 12.371 1.667 -0.008) 12.483 7.308 ( 6.078 4.768 5.645) 9.567 7.784 ( 10.799 9.681 7.872) 16.502 7.958 ( -3.182 -1.685 -4.721) 5.937 8.045 ( -4.885 -1.514 0.748) 5.169 8.940 ( -1.728 -5.893 -8.132) 10.191 9.846 ( -6.471 -1.394 -4.086) 7.779 10.016 ( -1.878 -2.002 -5.141) 5.828 10.238 ( 1.761 11.370 -11.818) 16.494 10.629 ( -0.567 1.725 4.138) 4.519 11.335 ( 5.364 -3.727 -4.140) 7.734 11.873 ( 2.047 -9.886 16.922) 19.705 16.345 ( 1.052 -2.862 -0.914) 3.184 16.449 ( -0.089 -0.515 1.459) 1.550 17.075 ( -2.042 -3.763 3.774) 5.707 17.235 ( -0.713 -2.738 3.110) 4.204 17.422 ( -0.518 2.349 -2.838) 3.720 17.543 ( 3.552 3.640 -3.994) 6.467 17.948 ( -1.437 4.794 -1.366) 5.188 18.408 ( 7.576 0.033 10.481) 12.932 ======================= Grid point 113 (50/250) ======================= q-point: ( 0.33 0.33 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( 0.100 -0.000 4.339) 4.340 1.542 ( 7.923 -0.000 11.739) 14.163 1.744 ( -3.554 0.000 4.570) 5.789 2.113 ( 7.167 -0.000 4.443) 8.433 2.216 ( -10.711 0.000 2.034) 10.902 2.303 ( -0.836 0.000 2.859) 2.979 2.512 ( -17.706 0.000 1.726) 17.790 2.807 ( 3.472 -0.000 4.472) 5.661 3.177 ( 0.042 -0.000 -1.452) 1.453 4.100 ( 1.765 -0.000 -15.438) 15.538 4.809 ( 7.640 -0.000 -4.383) 8.807 6.049 ( 0.473 -0.000 -0.289) 0.554 6.265 ( 8.480 -0.000 -9.336) 12.612 6.393 ( -8.022 0.000 5.086) 9.498 6.627 ( 11.726 -0.000 5.266) 12.854 7.009 ( 3.924 -0.000 4.242) 5.778 7.378 ( -14.706 0.000 3.719) 15.169 7.567 ( 2.839 -0.000 2.631) 3.871 7.593 ( 2.878 -0.000 -5.175) 5.921 7.969 ( 1.759 -0.000 5.757) 6.019 8.185 ( 4.713 -0.000 1.594) 4.975 8.307 ( -10.880 0.000 -7.113) 12.999 9.551 ( -0.004 0.000 -2.154) 2.154 9.987 ( 0.603 -0.000 5.974) 6.004 10.113 ( 6.842 -0.000 6.316) 9.312 10.344 ( -7.461 0.000 -5.426) 9.226 11.274 ( 1.164 -0.000 -1.632) 2.005 12.871 ( 4.829 -0.000 -14.652) 15.427 16.213 ( 0.238 -0.000 -2.207) 2.220 16.257 ( -4.434 0.000 0.804) 4.506 17.128 ( 1.185 -0.000 -0.892) 1.484 17.386 ( 3.795 -0.000 -4.922) 6.215 17.483 ( -4.611 0.000 0.722) 4.668 17.835 ( 5.215 -0.000 1.879) 5.543 17.892 ( -0.079 0.000 6.216) 6.217 19.060 ( 0.721 -0.000 -2.339) 2.448 ======================= Grid point 114 (51/250) ======================= q-point: ( 0.44 0.33 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( -2.113 -2.563 3.150) 4.578 1.665 ( 3.657 0.839 7.660) 8.530 1.709 ( -1.185 0.843 4.526) 4.754 2.088 ( -9.618 1.818 5.217) 11.092 2.131 ( -2.067 5.001 0.134) 5.413 2.311 ( -3.001 -2.137 -3.560) 5.123 2.396 ( -5.725 -0.730 9.488) 11.105 2.904 ( 1.513 -5.070 1.527) 5.507 3.165 ( 0.503 0.790 -1.122) 1.462 4.128 ( 4.703 -6.186 -11.279) 13.697 4.822 ( 7.250 4.931 -4.164) 9.707 6.060 ( 1.329 0.097 -0.287) 1.363 6.267 ( 1.734 3.059 -4.851) 5.992 6.358 ( -3.129 -2.140 2.537) 4.561 6.761 ( 11.200 0.686 1.152) 11.280 7.025 ( 0.711 2.677 1.606) 3.202 7.221 ( -13.718 1.866 1.884) 13.972 7.547 ( 2.178 3.492 -1.485) 4.376 7.656 ( 3.951 -2.661 -0.499) 4.790 7.933 ( -8.027 1.043 0.644) 8.120 8.220 ( 0.491 1.373 1.535) 2.117 8.279 ( 0.801 -5.274 -0.691) 5.379 9.530 ( 1.288 0.608 -4.959) 5.159 10.021 ( -0.630 -0.519 5.551) 5.611 10.256 ( 5.554 -6.145 -3.051) 8.827 10.302 ( -4.805 -3.375 6.851) 9.023 11.299 ( 2.029 -0.949 2.867) 3.638 12.752 ( 3.678 11.368 -12.976) 17.639 16.216 ( -0.147 -0.527 -1.377) 1.482 16.229 ( -1.844 -0.902 0.512) 2.116 17.133 ( 1.759 0.641 -0.305) 1.897 17.342 ( 2.036 5.699 -5.092) 7.909 17.446 ( -3.835 -0.340 0.955) 3.967 17.878 ( 3.007 0.313 2.305) 3.802 17.944 ( -0.341 -2.589 3.685) 4.517 19.005 ( 0.437 5.016 -3.794) 6.304 ======================= Grid point 115 (52/250) ======================= q-point: ( 0.56 0.33 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( -2.372 -2.872 2.518) 4.496 1.599 ( -0.466 5.635 1.841) 5.947 1.768 ( -1.247 -0.479 1.353) 1.901 1.964 ( -12.642 1.918 -1.855) 12.920 2.007 ( -0.155 5.364 9.370) 10.798 2.303 ( -4.469 -3.715 -3.374) 6.720 2.453 ( 3.659 -0.278 9.015) 9.733 3.011 ( -0.593 -6.209 -0.440) 6.253 3.162 ( -0.204 -1.210 0.018) 1.227 4.298 ( 7.119 -10.609 -6.741) 14.445 4.753 ( 5.926 9.054 -2.489) 11.104 6.053 ( -0.956 0.896 -2.549) 2.866 6.187 ( -0.136 4.128 -2.241) 4.699 6.400 ( -0.329 -3.206 -0.000) 3.223 6.826 ( 6.591 2.586 -0.881) 7.134 6.937 ( -4.388 4.942 -1.993) 6.903 7.068 ( -8.568 3.269 2.221) 9.436 7.507 ( 3.029 3.679 -0.320) 4.776 7.738 ( 2.735 -3.059 -0.787) 4.178 7.854 ( -5.232 -1.469 -1.604) 5.666 8.208 ( 1.419 3.791 6.355) 7.535 8.390 ( 0.377 -7.506 -2.795) 8.018 9.538 ( 3.092 -2.007 -4.925) 6.152 10.034 ( -2.472 -0.749 2.199) 3.392 10.289 ( -7.527 -6.106 -5.612) 11.199 10.496 ( 8.154 -6.367 9.539) 14.071 11.382 ( 1.856 -2.934 10.409) 10.973 12.442 ( 2.433 21.280 -12.115) 24.607 16.211 ( -1.189 -1.019 -0.939) 1.826 16.260 ( 1.624 -1.663 1.328) 2.677 17.141 ( 3.084 1.565 -0.242) 3.467 17.216 ( -1.203 5.860 -2.882) 6.640 17.423 ( -2.845 -0.470 0.954) 3.037 17.918 ( 1.989 -1.025 1.601) 2.751 17.970 ( -2.126 -0.108 0.576) 2.206 18.874 ( 0.771 8.182 -4.672) 9.453 ======================= Grid point 116 (53/250) ======================= q-point: (-0.33 0.33 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.104 ( 1.368 0.419 3.577) 3.853 1.507 ( 2.657 8.136 -0.823) 8.598 1.626 ( -10.755 4.338 -4.138) 12.313 1.857 ( -11.052 -2.148 -0.426) 11.267 1.999 ( 2.949 1.727 6.799) 7.609 2.309 ( -2.574 -1.613 0.090) 3.039 2.556 ( 4.060 -3.390 6.391) 8.296 3.061 ( 1.998 1.550 -1.278) 2.833 3.258 ( -2.425 -11.563 2.532) 12.083 4.547 ( 5.426 -5.537 0.992) 7.816 4.623 ( 6.183 4.944 -4.974) 9.350 5.952 ( -3.241 6.238 -7.636) 10.379 6.129 ( -0.870 0.673 -2.159) 2.424 6.446 ( -0.851 -2.679 -0.354) 2.833 6.747 ( -4.874 6.071 0.456) 7.798 6.845 ( -0.928 1.132 -4.864) 5.080 6.953 ( -1.015 4.902 3.011) 5.842 7.476 ( 3.135 3.966 2.237) 5.528 7.813 ( 1.352 -3.780 -2.002) 4.486 7.865 ( -0.045 -2.898 -1.130) 3.111 8.168 ( 1.312 5.855 7.644) 9.718 8.526 ( 1.082 -9.147 -4.638) 10.313 9.618 ( 3.659 -4.796 -2.665) 6.595 10.012 ( -4.293 -0.710 -2.291) 4.917 10.287 ( -6.451 -4.474 -3.527) 8.606 10.725 ( 7.500 -6.613 4.563) 10.991 11.519 ( -1.105 -4.313 17.773) 18.322 11.976 ( 1.694 27.428 -11.931) 29.959 16.223 ( -0.083 -1.586 -0.908) 1.830 16.328 ( 2.858 -2.133 3.373) 4.909 17.072 ( -0.645 4.915 -2.364) 5.492 17.181 ( 1.173 -0.330 1.666) 2.064 17.412 ( -1.357 -0.415 0.374) 1.467 17.894 ( -5.076 3.086 -4.450) 7.422 17.970 ( 1.746 -1.240 2.189) 3.063 18.711 ( 1.299 9.276 -3.454) 9.983 ======================= Grid point 117 (54/250) ======================= q-point: (-0.22 0.33 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( 6.422 5.598 5.527) 10.155 1.285 ( -0.199 12.910 -4.591) 13.703 1.536 ( -5.880 -2.153 1.212) 6.378 1.772 ( -8.118 -0.327 -1.690) 8.299 2.045 ( -1.243 -3.423 1.873) 4.095 2.309 ( -1.082 0.008 2.949) 3.142 2.705 ( 3.820 -5.648 4.826) 8.353 3.013 ( 0.149 3.973 -1.235) 4.164 3.503 ( 1.495 -14.734 3.710) 15.267 4.367 ( -3.324 14.000 2.138) 14.547 4.892 ( 11.693 -12.879 -3.818) 17.809 5.704 ( -6.462 10.859 -12.246) 17.596 6.119 ( -1.168 -2.031 -3.131) 3.911 6.474 ( -1.516 -1.966 1.393) 2.846 6.621 ( -3.024 3.982 -0.496) 5.025 6.746 ( -8.993 1.822 1.474) 9.293 6.943 ( 10.684 3.749 0.037) 11.323 7.460 ( 3.886 3.825 4.692) 7.193 7.866 ( -1.167 -3.460 -3.095) 4.787 7.917 ( -0.792 -3.368 -1.341) 3.710 8.114 ( 4.322 7.438 8.059) 11.788 8.674 ( 0.730 -9.057 -6.299) 11.056 9.731 ( 0.822 -4.939 0.072) 5.007 9.957 ( -4.212 -1.057 -7.286) 8.482 10.297 ( -1.594 -3.542 -2.297) 4.512 10.886 ( 4.027 -0.895 1.607) 4.427 11.452 ( -3.136 17.857 -6.753) 19.347 11.687 ( 1.675 -0.323 15.976) 16.067 16.255 ( 0.676 -2.142 -0.610) 2.327 16.411 ( 2.679 -1.621 4.350) 5.360 17.003 ( -1.251 0.763 -0.352) 1.507 17.205 ( 0.085 -0.071 2.395) 2.398 17.421 ( 1.684 -0.747 -0.594) 1.936 17.735 ( -4.751 5.345 -7.107) 10.082 18.011 ( 0.514 -0.550 1.675) 1.836 18.567 ( 1.738 7.477 -0.437) 7.688 ======================= Grid point 118 (55/250) ======================= q-point: (-0.11 0.33 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( 1.870 9.322 3.166) 10.021 1.193 ( 13.318 8.303 6.059) 16.823 1.531 ( -0.112 1.277 4.192) 4.383 1.709 ( -9.577 -4.965 -3.295) 11.279 2.104 ( -3.677 -5.668 -0.144) 6.758 2.318 ( -0.625 -0.199 4.617) 4.663 2.842 ( 2.520 -2.181 1.349) 3.596 2.939 ( -1.526 1.217 0.975) 2.182 3.787 ( 2.736 -9.796 2.463) 10.465 4.090 ( -6.073 9.817 2.673) 11.849 5.150 ( 6.681 -0.504 -12.183) 13.903 5.428 ( -2.205 0.804 -6.497) 6.908 6.143 ( 0.855 -2.304 -3.428) 4.218 6.479 ( -4.372 1.940 0.514) 4.811 6.534 ( -1.752 -0.043 1.495) 2.303 6.670 ( -5.326 0.042 6.165) 8.147 7.018 ( 13.888 2.327 0.223) 14.084 7.461 ( 3.737 3.438 5.822) 7.725 7.881 ( -1.729 -1.860 -4.258) 4.958 7.928 ( -8.085 -3.429 -0.774) 8.816 8.087 ( 10.529 8.066 7.064) 15.027 8.772 ( -2.618 -6.442 -8.241) 10.783 9.747 ( -6.098 -0.568 -2.916) 6.784 9.932 ( -1.289 -2.205 -4.271) 4.976 10.358 ( 6.804 -0.401 -5.709) 8.891 10.751 ( -2.817 12.608 4.180) 13.579 11.309 ( 3.500 -1.743 -5.605) 6.834 11.806 ( -0.722 -5.663 13.106) 14.295 16.300 ( 0.291 -2.477 -0.509) 2.546 16.455 ( 0.031 0.305 2.035) 2.058 17.019 ( -1.064 -2.592 2.758) 3.931 17.203 ( -2.034 -0.312 1.894) 2.797 17.454 ( 2.950 0.580 -1.733) 3.470 17.610 ( 2.590 2.330 -3.625) 5.027 17.992 ( -1.645 2.772 -0.302) 3.237 18.514 ( 3.250 1.563 3.164) 4.797 ======================= Grid point 123 (56/250) ======================= q-point: ( 0.44 0.44 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.007 ( -2.332 0.000 3.990) 4.621 1.711 ( -2.925 0.000 2.209) 3.665 1.714 ( -2.177 0.000 4.340) 4.856 2.026 ( -5.737 0.000 8.738) 10.453 2.155 ( -10.261 0.000 -7.573) 12.753 2.209 ( 0.249 -0.000 -0.362) 0.439 2.433 ( 1.882 -0.000 14.097) 14.222 2.876 ( -0.184 0.000 -2.896) 2.902 3.169 ( 0.402 -0.000 -1.629) 1.678 4.097 ( 7.730 -0.000 -6.610) 10.171 4.921 ( 6.883 -0.000 -3.623) 7.778 6.067 ( -0.193 0.000 -1.277) 1.291 6.291 ( -5.331 0.000 3.742) 6.513 6.304 ( 2.342 -0.000 -5.383) 5.870 6.864 ( 7.616 -0.000 -4.501) 8.847 7.041 ( -1.938 0.000 -1.922) 2.730 7.129 ( -8.555 0.000 2.013) 8.788 7.625 ( 0.058 -0.000 1.235) 1.236 7.638 ( 4.752 -0.000 -1.323) 4.932 7.837 ( -9.000 0.000 -2.048) 9.230 8.241 ( 0.292 -0.000 -0.710) 0.768 8.276 ( 3.149 -0.000 6.552) 7.270 9.512 ( 0.031 -0.000 -7.076) 7.076 10.042 ( -1.417 0.000 7.218) 7.356 10.126 ( -4.553 0.000 -8.926) 10.021 10.382 ( 6.496 -0.000 15.228) 16.556 11.334 ( 3.056 -0.000 5.348) 6.160 12.830 ( 3.929 -0.000 -13.613) 14.168 16.197 ( -1.581 0.000 0.038) 1.581 16.224 ( 1.611 -0.000 0.329) 1.644 17.153 ( 1.399 -0.000 0.529) 1.495 17.396 ( 2.503 -0.000 -8.072) 8.451 17.415 ( -2.506 0.000 1.138) 2.752 17.891 ( -3.283 0.000 1.104) 3.464 17.941 ( 2.230 -0.000 4.764) 5.260 19.026 ( -0.293 0.000 -5.825) 5.832 ======================= Grid point 124 (57/250) ======================= q-point: (-0.44 -0.56 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( -1.023 -2.388 3.771) 4.579 1.637 ( -7.164 1.875 -0.138) 7.406 1.700 ( -6.601 -2.461 0.660) 7.075 1.938 ( -5.470 7.834 -3.211) 10.080 2.107 ( 2.572 -0.555 10.168) 10.503 2.196 ( -3.890 -1.400 -3.420) 5.366 2.530 ( 3.497 -0.131 10.905) 11.453 2.879 ( -3.201 -5.582 -3.497) 7.323 3.160 ( 0.348 0.654 -1.773) 1.922 4.221 ( 9.888 -5.807 -2.315) 11.698 4.925 ( 4.707 5.249 -1.749) 7.264 6.038 ( -2.399 0.644 -2.864) 3.791 6.223 ( -2.207 2.897 -1.757) 4.044 6.335 ( -0.549 -3.234 -2.288) 4.000 6.868 ( -0.644 0.281 -7.964) 7.995 6.954 ( -4.825 4.439 -2.984) 7.204 7.075 ( -1.257 1.702 2.450) 3.237 7.591 ( 0.692 2.518 0.721) 2.709 7.709 ( 1.762 -2.144 0.686) 2.859 7.783 ( -0.970 -1.238 -1.950) 2.505 8.270 ( -1.025 -4.592 -2.291) 5.234 8.320 ( 2.815 2.392 7.719) 8.557 9.495 ( 0.600 -1.983 -6.712) 7.025 10.015 ( -3.257 1.123 -0.376) 3.466 10.114 ( -4.528 -4.602 -0.168) 6.459 10.544 ( 6.497 -2.962 13.891) 15.618 11.413 ( 2.858 -1.617 10.003) 10.528 12.708 ( 4.328 11.847 -14.274) 19.048 16.191 ( -0.086 -0.266 0.081) 0.291 16.261 ( 2.182 -1.411 2.051) 3.310 17.173 ( 1.491 -0.114 1.346) 2.012 17.312 ( 0.232 6.572 -6.916) 9.544 17.404 ( -0.928 -0.091 1.089) 1.433 17.874 ( -3.858 -2.383 -2.039) 4.972 17.975 ( 0.111 0.420 4.140) 4.163 18.957 ( -0.005 4.075 -7.073) 8.163 ======================= Grid point 125 (58/250) ======================= q-point: (-0.33 -0.56 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.106 ( 1.854 -4.584 3.130) 5.852 1.527 ( -7.374 2.302 -1.192) 7.816 1.622 ( -15.634 -0.737 -4.952) 16.416 1.759 ( 4.486 7.644 -1.533) 8.994 2.085 ( -3.848 3.303 0.308) 5.081 2.252 ( 1.465 -3.293 5.607) 6.666 2.592 ( 2.419 -0.511 5.668) 6.183 3.016 ( 0.672 -11.656 2.859) 12.020 3.132 ( -0.696 1.646 -1.982) 2.669 4.464 ( 11.061 -9.838 0.796) 14.825 4.812 ( -0.202 9.983 -0.334) 9.990 5.974 ( -1.315 3.058 -6.066) 6.920 6.125 ( -3.047 3.013 -5.342) 6.849 6.375 ( -1.339 -3.589 -2.174) 4.405 6.760 ( -7.065 3.070 -4.731) 9.040 6.818 ( -5.643 3.054 -3.066) 7.111 7.068 ( 6.276 2.925 1.786) 7.151 7.563 ( 0.060 1.877 1.926) 2.690 7.751 ( -1.597 -2.200 0.340) 2.739 7.821 ( 3.082 -1.938 -1.729) 4.030 8.321 ( 1.336 2.913 6.443) 7.196 8.365 ( 2.452 -6.611 -3.624) 7.928 9.544 ( 1.791 -4.988 -3.852) 6.552 9.953 ( -4.397 0.668 -3.294) 5.534 10.153 ( -3.910 -4.293 2.250) 6.228 10.725 ( 5.368 -4.538 9.427) 11.759 11.527 ( -0.061 -2.672 15.107) 15.342 12.382 ( 3.998 22.440 -15.216) 27.406 16.205 ( 0.881 -0.697 0.201) 1.142 16.337 ( 3.182 -2.470 4.299) 5.891 17.148 ( -2.359 6.651 -4.010) 8.117 17.203 ( 2.014 0.203 1.675) 2.628 17.407 ( 0.880 -0.016 0.281) 0.924 17.842 ( -5.710 -0.301 -5.388) 7.857 17.977 ( -0.437 -0.102 2.947) 2.981 18.831 ( -0.068 6.682 -6.658) 9.432 ======================= Grid point 126 (59/250) ======================= q-point: (-0.22 -0.56 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.245 ( 0.208 -7.487 0.637) 7.517 1.330 ( -5.464 8.268 -2.829) 10.306 1.498 ( -5.536 -0.179 -1.714) 5.798 1.698 ( 0.731 3.679 -2.854) 4.714 1.996 ( -6.198 0.409 0.854) 6.270 2.316 ( 0.501 -0.513 4.235) 4.296 2.685 ( 3.267 -3.966 5.073) 7.220 3.066 ( -1.752 3.397 -2.202) 4.411 3.297 ( 4.815 -14.480 5.699) 16.289 4.567 ( -6.161 13.414 1.331) 14.821 4.791 ( 12.375 -12.117 1.076) 17.353 5.773 ( -5.166 10.927 -14.780) 19.093 6.077 ( 0.836 -1.139 -2.218) 2.630 6.416 ( -0.999 -3.500 -0.676) 3.702 6.619 ( -6.225 3.040 -6.313) 9.373 6.709 ( -6.414 1.742 4.832) 8.217 7.113 ( 10.673 2.634 -0.047) 10.993 7.543 ( -1.362 0.971 2.604) 3.094 7.762 ( -4.088 -2.835 -0.228) 4.980 7.866 ( 1.341 -0.920 -1.524) 2.229 8.307 ( 2.498 3.564 4.867) 6.529 8.509 ( 4.213 -7.318 -5.083) 9.856 9.653 ( 1.759 -5.462 -0.470) 5.758 9.878 ( -3.568 0.336 -5.067) 6.206 10.211 ( -1.114 -4.679 2.217) 5.296 10.887 ( 3.738 -4.621 5.198) 7.896 11.578 ( -7.781 3.633 12.868) 15.470 11.948 ( 5.748 21.248 -10.774) 24.507 16.233 ( 1.153 -1.210 0.172) 1.680 16.435 ( 3.054 -1.782 5.459) 6.504 17.016 ( -1.983 3.364 -2.267) 4.515 17.223 ( 0.110 0.581 3.049) 3.106 17.431 ( 3.214 -0.693 -0.980) 3.430 17.726 ( -5.199 2.808 -6.491) 8.778 18.002 ( -0.611 -1.486 2.116) 2.657 18.675 ( -1.478 6.756 -5.416) 8.784 ======================= Grid point 127 (60/250) ======================= q-point: (-0.11 -0.56 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( -4.993 1.868 -0.419) 5.348 1.443 ( 5.956 -6.615 1.138) 8.974 1.463 ( 3.641 2.870 3.261) 5.668 1.599 ( -4.461 3.233 -4.658) 7.215 1.964 ( -6.596 -3.076 2.921) 7.843 2.337 ( -0.459 -0.196 3.752) 3.785 2.821 ( 3.310 -4.842 3.927) 7.059 2.958 ( -3.815 4.300 -2.560) 6.293 3.643 ( 7.592 -14.078 5.364) 16.870 4.234 ( -10.273 14.596 0.731) 17.864 5.137 ( 12.903 -9.333 -1.099) 15.962 5.428 ( -6.578 10.043 -14.816) 19.070 6.124 ( 3.871 -1.286 -1.404) 4.314 6.470 ( -1.989 0.761 -1.259) 2.474 6.484 ( -3.497 -1.995 -1.348) 4.245 6.663 ( -4.428 0.953 7.387) 8.664 7.190 ( 11.731 1.620 -1.087) 11.893 7.516 ( -4.915 -0.133 2.031) 5.320 7.769 ( -4.617 -2.963 -0.213) 5.490 7.867 ( 0.688 0.697 -1.272) 1.605 8.293 ( 1.829 2.632 2.512) 4.072 8.626 ( 3.324 -3.888 -5.950) 7.847 9.679 ( -4.440 0.609 -3.030) 5.410 9.893 ( 4.093 -2.971 0.428) 5.076 10.327 ( 4.454 -6.653 -1.829) 8.213 10.950 ( -2.121 6.261 6.922) 9.571 11.325 ( -3.194 8.138 -6.676) 11.000 11.811 ( -0.074 2.522 6.635) 7.099 16.267 ( 0.678 -1.499 -0.256) 1.665 16.477 ( -0.242 1.130 2.588) 2.834 16.988 ( -0.328 -1.243 1.472) 1.954 17.204 ( -1.810 1.629 2.021) 3.165 17.477 ( 2.831 -0.620 -1.581) 3.301 17.643 ( 1.825 0.365 -2.709) 3.287 18.009 ( -1.707 0.873 1.111) 2.216 18.550 ( -1.870 2.130 -3.846) 4.778 ======================= Grid point 133 (61/250) ======================= q-point: (-0.44 -0.44 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.005 ( -2.195 0.000 3.389) 4.038 1.507 ( -14.117 0.000 -3.217) 14.479 1.638 ( -4.816 0.000 -0.885) 4.896 1.989 ( 1.096 -0.000 -3.392) 3.565 2.109 ( -5.003 0.000 -2.302) 5.507 2.195 ( 4.043 -0.000 10.847) 11.576 2.629 ( 4.594 -0.000 12.086) 12.930 2.736 ( -6.663 0.000 -7.602) 10.109 3.167 ( 1.191 -0.000 -1.787) 2.148 4.279 ( 11.364 -0.000 1.399) 11.450 5.000 ( 1.111 -0.000 -0.453) 1.200 6.006 ( -1.465 0.000 -3.022) 3.358 6.235 ( -2.102 0.000 0.138) 2.107 6.259 ( -1.691 0.000 -8.211) 8.383 6.800 ( -4.407 0.000 -9.567) 10.533 6.909 ( -8.439 0.000 -3.652) 9.195 7.121 ( 4.818 -0.000 1.869) 5.168 7.585 ( -4.106 0.000 -0.502) 4.137 7.729 ( 2.372 -0.000 2.069) 3.148 7.787 ( 4.558 -0.000 -1.057) 4.679 8.197 ( -2.487 0.000 -2.394) 3.452 8.405 ( 3.313 -0.000 6.337) 7.151 9.446 ( 0.269 -0.000 -6.061) 6.067 9.982 ( -3.495 0.000 -3.526) 4.965 10.052 ( -3.197 0.000 5.893) 6.705 10.643 ( 4.718 -0.000 14.972) 15.698 11.474 ( 2.556 -0.000 10.927) 11.223 12.801 ( 6.402 -0.000 -15.938) 17.176 16.200 ( 1.402 -0.000 1.434) 2.005 16.280 ( 2.219 -0.000 2.927) 3.673 17.192 ( 1.072 -0.000 2.066) 2.327 17.340 ( -0.824 0.000 -7.913) 7.956 17.409 ( 1.097 -0.000 0.916) 1.429 17.783 ( -5.771 0.000 -3.921) 6.977 17.993 ( -1.721 0.000 3.903) 4.265 18.960 ( 0.812 -0.000 -8.547) 8.585 ======================= Grid point 134 (62/250) ======================= q-point: (-0.33 -0.44 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( -5.989 -4.159 0.981) 7.357 1.365 ( -15.334 -3.454 -5.024) 16.501 1.562 ( -1.838 4.172 -1.199) 4.714 1.942 ( 3.137 6.162 -2.082) 7.221 2.015 ( -7.624 -0.045 -5.276) 9.272 2.302 ( 4.387 -0.057 9.933) 10.858 2.619 ( -0.808 0.598 0.010) 1.005 2.836 ( 1.375 -10.041 5.612) 11.585 3.166 ( 2.203 1.303 -1.108) 2.789 4.460 ( 12.150 -5.441 4.050) 13.915 4.929 ( -4.811 5.988 0.038) 7.681 5.993 ( 2.896 1.198 -3.703) 4.851 6.121 ( -3.969 4.143 -9.124) 10.778 6.278 ( -1.354 -4.204 -3.688) 5.753 6.697 ( -4.875 1.227 -9.976) 11.171 6.785 ( -9.082 1.997 1.019) 9.354 7.179 ( 7.075 1.049 0.308) 7.159 7.536 ( -5.752 -0.590 -0.858) 5.846 7.736 ( -1.187 0.496 0.876) 1.556 7.842 ( 4.608 -0.388 0.605) 4.663 8.203 ( -3.315 -4.589 -2.210) 6.077 8.462 ( 7.312 1.078 3.031) 7.988 9.466 ( 1.745 -3.697 -3.122) 5.144 9.925 ( -2.809 1.665 -1.128) 3.455 10.072 ( -3.168 -3.021 4.736) 6.450 10.761 ( 2.663 -1.854 12.235) 12.658 11.557 ( 0.149 -1.302 12.986) 13.052 12.680 ( 6.874 13.434 -17.779) 23.319 16.224 ( 2.219 0.567 2.241) 3.205 16.345 ( 2.877 -2.574 4.863) 6.209 17.199 ( -1.644 2.845 0.046) 3.286 17.244 ( -0.116 3.014 -3.589) 4.689 17.430 ( 2.711 0.282 0.266) 2.738 17.727 ( -6.228 -2.472 -6.081) 9.048 17.971 ( -3.777 0.166 1.667) 4.132 18.897 ( 1.224 4.465 -8.252) 9.461 ======================= Grid point 135 (63/250) ======================= q-point: (-0.22 -0.44 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( -13.240 -6.391 -3.754) 15.174 1.266 ( -14.029 -5.984 -6.747) 16.677 1.493 ( 5.056 4.116 2.971) 7.165 1.814 ( -6.501 3.887 -4.030) 8.580 1.960 ( 3.827 3.004 -1.227) 5.017 2.347 ( 0.355 1.163 4.961) 5.108 2.665 ( 2.132 -3.599 2.561) 4.904 3.026 ( -2.198 -5.150 0.695) 5.643 3.216 ( 8.134 -4.959 4.994) 10.756 4.704 ( -9.456 10.899 -0.044) 14.430 4.744 ( 12.889 -9.599 5.278) 16.915 5.835 ( -5.069 9.939 -16.661) 20.051 6.085 ( 5.552 -0.870 -0.291) 5.627 6.330 ( -0.411 -4.413 -2.458) 5.068 6.568 ( -4.757 2.393 -10.159) 11.470 6.697 ( -6.684 0.941 7.511) 10.099 7.229 ( 6.383 0.698 -1.978) 6.718 7.473 ( -9.037 -1.218 -1.258) 9.205 7.722 ( -1.407 -0.713 0.275) 1.601 7.886 ( 2.712 0.281 1.509) 3.116 8.226 ( -6.722 -4.491 -2.238) 8.389 8.572 ( 13.599 -0.157 0.402) 13.606 9.575 ( 3.538 -6.120 -1.103) 7.154 9.862 ( -1.259 2.093 -0.342) 2.466 10.131 ( -1.986 -4.490 4.218) 6.472 10.867 ( 0.699 -3.302 7.573) 8.292 11.605 ( -5.493 1.014 13.176) 14.311 12.334 ( 5.118 22.725 -17.326) 29.031 16.246 ( 2.081 0.450 1.824) 2.804 16.455 ( 2.950 -2.685 6.424) 7.562 17.055 ( -2.826 5.291 -3.753) 7.075 17.250 ( 0.545 0.292 3.244) 3.302 17.453 ( 3.006 0.213 -1.346) 3.300 17.663 ( -5.316 -0.586 -5.944) 7.996 17.957 ( -3.172 -2.578 0.312) 4.099 18.748 ( -2.025 7.996 -7.719) 11.297 ======================= Grid point 136 (64/250) ======================= q-point: (-0.11 -0.44 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( -11.980 -7.547 -3.758) 14.649 1.253 ( -9.423 -9.400 -4.873) 14.174 1.557 ( 3.204 -2.587 6.018) 7.292 1.661 ( -3.014 5.977 -2.197) 7.045 1.959 ( 6.272 3.097 0.513) 7.013 2.337 ( -1.954 0.595 3.037) 3.660 2.777 ( 2.309 -4.982 2.157) 5.899 2.981 ( -3.395 3.575 -2.029) 5.331 3.523 ( 9.904 -12.933 7.031) 17.742 4.372 ( -11.647 13.988 -0.534) 18.210 5.095 ( 13.568 -11.743 5.418) 18.744 5.493 ( -5.837 12.759 -18.554) 23.262 6.167 ( 6.937 0.172 0.077) 6.940 6.397 ( -0.664 -4.451 -0.926) 4.594 6.456 ( -1.302 1.261 -5.332) 5.632 6.663 ( -5.385 0.480 8.714) 10.255 7.271 ( 4.003 -0.881 -3.706) 5.526 7.385 ( -12.172 -2.315 -1.676) 12.503 7.732 ( 0.114 -0.873 -0.968) 1.309 7.910 ( 2.959 0.952 2.718) 4.130 8.204 ( -8.342 -3.571 -3.259) 9.642 8.706 ( 12.970 1.531 -0.897) 13.091 9.650 ( -0.598 0.390 -3.153) 3.233 9.910 ( 8.783 -3.899 3.527) 10.237 10.229 ( 0.274 -6.865 1.364) 7.005 10.956 ( -2.069 -3.933 5.761) 7.276 11.443 ( -10.774 12.557 1.508) 16.614 11.971 ( 1.905 14.095 -4.935) 15.055 16.267 ( 1.690 0.082 0.735) 1.844 16.506 ( -1.015 1.271 2.784) 3.224 16.983 ( 0.224 0.294 0.537) 0.652 17.238 ( -1.079 2.668 2.673) 3.928 17.472 ( 0.676 -1.281 -1.930) 2.413 17.637 ( 1.526 -1.809 -1.624) 2.871 17.985 ( -1.997 -2.635 0.521) 3.347 18.539 ( -6.045 5.584 -8.069) 11.525 ======================= Grid point 143 (65/250) ======================= q-point: (-0.33 -0.33 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.878 ( -12.194 0.000 -0.734) 12.216 1.136 ( -17.176 0.000 -7.224) 18.633 1.624 ( 5.285 -0.000 1.093) 5.397 1.799 ( -18.718 0.000 -8.396) 20.515 2.098 ( 9.338 -0.000 -1.217) 9.417 2.383 ( 1.990 -0.000 7.241) 7.509 2.596 ( 0.149 -0.000 -2.737) 2.741 2.810 ( 3.651 -0.000 8.205) 8.980 3.206 ( 3.855 -0.000 0.420) 3.878 4.565 ( 12.908 -0.000 6.564) 14.481 4.908 ( -9.276 0.000 -0.312) 9.282 6.053 ( 8.270 -0.000 -0.768) 8.306 6.054 ( -7.330 0.000 -15.619) 17.254 6.216 ( 1.406 -0.000 -2.739) 3.079 6.616 ( -3.212 0.000 -12.944) 13.337 6.719 ( -9.164 0.000 6.177) 11.051 7.243 ( 4.137 -0.000 -2.075) 4.628 7.459 ( -6.636 0.000 -1.720) 6.855 7.695 ( -7.623 0.000 -1.332) 7.739 7.890 ( 3.117 -0.000 3.092) 4.390 8.135 ( -1.174 0.000 -0.324) 1.218 8.561 ( 10.594 -0.000 -0.577) 10.610 9.443 ( 2.425 -0.000 -0.922) 2.595 9.933 ( -0.255 0.000 1.702) 1.721 10.026 ( -3.735 0.000 4.867) 6.135 10.814 ( -0.044 0.000 11.351) 11.351 11.599 ( -1.089 0.000 12.056) 12.105 12.801 ( 9.090 -0.000 -20.548) 22.469 16.285 ( 3.760 -0.000 5.592) 6.738 16.362 ( 2.195 -0.000 4.865) 5.338 17.227 ( -0.074 0.000 3.311) 3.312 17.231 ( -3.128 0.000 -6.556) 7.264 17.468 ( 3.937 -0.000 -0.554) 3.976 17.604 ( -6.086 0.000 -6.631) 9.001 17.913 ( -7.330 0.000 -1.614) 7.505 18.934 ( 4.014 -0.000 -7.387) 8.407 ======================= Grid point 144 (66/250) ======================= q-point: (-0.22 -0.33 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.758 ( -15.391 -3.194 -2.609) 15.934 0.967 ( -16.993 -5.405 -7.943) 19.521 1.530 ( -16.617 0.904 -4.787) 17.316 1.723 ( 3.633 -1.336 0.980) 3.993 2.138 ( 10.252 5.528 -2.084) 11.832 2.395 ( -0.337 1.639 3.127) 3.546 2.638 ( 2.606 -2.660 1.118) 3.888 2.930 ( 1.510 -5.480 3.901) 6.894 3.268 ( 6.956 -1.134 3.738) 7.978 4.732 ( -7.825 4.018 -1.142) 8.870 4.791 ( 10.038 -2.959 8.025) 13.187 5.843 ( -6.618 6.229 -17.748) 19.940 6.160 ( 10.670 -0.352 0.813) 10.707 6.252 ( 1.574 -3.127 -3.551) 4.986 6.519 ( -1.744 1.441 -12.023) 12.234 6.667 ( -8.034 -0.121 9.676) 12.577 7.247 ( -0.863 -0.243 -3.672) 3.780 7.366 ( -8.627 1.171 -2.584) 9.082 7.621 ( -9.687 -4.345 -2.765) 10.970 7.929 ( 1.930 0.203 3.766) 4.236 8.138 ( -0.642 -0.193 0.909) 1.130 8.700 ( 14.816 -1.570 -2.029) 15.037 9.513 ( 3.803 -4.683 -0.649) 6.067 9.915 ( 1.070 2.937 3.502) 4.694 10.055 ( -2.592 -3.798 4.745) 6.607 10.855 ( -2.291 -1.229 7.259) 7.711 11.624 ( -4.599 0.783 11.337) 12.259 12.651 ( 6.692 15.962 -22.008) 27.998 16.314 ( 2.999 2.767 5.157) 6.576 16.458 ( 2.519 -3.631 6.924) 8.214 17.102 ( -3.072 5.586 -4.724) 7.934 17.262 ( 0.213 -1.346 3.156) 3.437 17.478 ( -0.179 0.963 -4.438) 4.545 17.563 ( -1.663 -2.406 -3.086) 4.252 17.842 ( -7.274 -3.334 -4.072) 8.978 18.863 ( 1.459 9.234 -6.351) 11.302 ======================= Grid point 145 (67/250) ======================= q-point: (-0.11 -0.33 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.674 ( -13.099 -7.358 -3.011) 15.323 0.929 ( -12.748 -11.508 -4.648) 17.792 1.377 ( -19.176 -6.197 -1.008) 20.177 1.793 ( 8.648 2.365 3.802) 9.738 2.128 ( 9.959 5.499 -3.033) 11.773 2.362 ( -0.976 2.641 2.522) 3.779 2.724 ( 1.719 -3.997 0.495) 4.379 2.986 ( -1.598 0.362 0.036) 1.639 3.469 ( 9.950 -8.627 6.803) 14.822 4.467 ( -11.182 10.882 -1.398) 15.666 5.076 ( 12.629 -8.758 7.092) 16.926 5.564 ( -3.692 10.036 -18.041) 20.972 6.261 ( 7.700 1.191 -1.777) 7.992 6.322 ( 2.761 -4.138 0.075) 4.975 6.444 ( 1.263 0.930 -7.522) 7.683 6.643 ( -7.076 -0.655 10.753) 12.889 7.192 ( -11.403 -0.736 -2.024) 11.605 7.258 ( -4.348 -0.958 -4.937) 6.648 7.621 ( -7.584 -7.049 -4.750) 11.392 7.965 ( 2.366 -0.035 4.127) 4.757 8.122 ( -0.936 1.508 0.299) 1.800 8.861 ( 13.803 0.594 -1.884) 13.944 9.639 ( 5.199 -2.997 -3.923) 7.170 9.962 ( 9.031 -3.281 5.387) 11.016 10.123 ( -2.625 -4.731 3.897) 6.668 10.878 ( -4.228 -2.976 2.552) 5.766 11.525 ( -10.564 7.988 6.071) 14.570 12.247 ( -1.199 20.588 -13.533) 24.667 16.316 ( 2.434 2.236 2.973) 4.445 16.521 ( -1.933 0.759 2.540) 3.281 17.008 ( 0.995 1.680 0.285) 1.973 17.290 ( 0.132 1.944 3.694) 4.176 17.426 ( -2.550 -1.668 -3.101) 4.347 17.603 ( 1.449 -2.992 -0.718) 3.401 17.862 ( -3.408 -7.132 -4.471) 9.082 18.592 ( -7.695 13.209 -6.069) 16.447 ======================= Grid point 153 (68/250) ======================= q-point: (-0.22 -0.22 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.565 ( -15.736 0.000 -0.236) 15.737 0.690 ( -18.646 0.000 -8.378) 20.442 1.246 ( -27.245 0.000 -5.978) 27.893 1.811 ( 9.081 -0.000 2.550) 9.433 2.288 ( 9.751 -0.000 -2.321) 10.024 2.414 ( 0.070 -0.000 0.921) 0.924 2.647 ( 2.282 -0.000 1.212) 2.584 2.917 ( 1.848 -0.000 3.559) 4.011 3.347 ( 7.342 -0.000 4.437) 8.579 4.668 ( -10.340 0.000 -2.040) 10.539 4.923 ( 12.954 -0.000 8.971) 15.757 5.750 ( -5.604 0.000 -18.252) 19.093 6.228 ( 3.581 -0.000 -5.896) 6.898 6.289 ( 11.761 -0.000 2.785) 12.086 6.476 ( 1.508 -0.000 -11.607) 11.704 6.620 ( -9.617 0.000 11.318) 14.853 7.194 ( -5.288 0.000 -2.337) 5.781 7.300 ( -6.650 0.000 -4.857) 8.235 7.406 ( -16.526 0.000 -3.300) 16.852 7.960 ( 0.582 -0.000 3.860) 3.903 8.174 ( 3.018 -0.000 4.210) 5.180 8.821 ( 15.621 -0.000 -4.204) 16.176 9.498 ( 2.788 -0.000 -0.560) 2.844 9.993 ( -3.886 0.000 5.168) 6.466 10.003 ( 3.763 -0.000 4.886) 6.167 10.835 ( -4.579 0.000 3.542) 5.790 11.632 ( -5.215 0.000 9.852) 11.147 12.771 ( 7.575 -0.000 -27.676) 28.693 16.441 ( 3.598 -0.000 10.082) 10.704 16.446 ( 1.231 -0.000 5.157) 5.302 17.116 ( -1.983 0.000 -5.153) 5.521 17.240 ( -1.706 0.000 2.540) 3.059 17.414 ( -3.031 0.000 -7.273) 7.879 17.577 ( 4.203 -0.000 0.254) 4.210 17.683 ( -10.342 0.000 -7.030) 12.505 18.986 ( 5.864 -0.000 -4.824) 7.593 ======================= Grid point 154 (69/250) ======================= q-point: (-0.11 -0.22 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.434 ( -13.718 -3.263 1.414) 14.171 0.574 ( -14.266 -10.725 -2.432) 18.012 1.010 ( -26.108 -7.492 -0.229) 27.163 1.911 ( 7.833 -0.182 2.614) 8.260 2.307 ( 7.532 5.995 -2.969) 10.074 2.414 ( 1.558 1.399 0.724) 2.215 2.686 ( 1.081 -2.060 0.378) 2.357 2.968 ( 0.202 -1.690 1.860) 2.522 3.482 ( 8.221 -4.177 5.517) 10.746 4.505 ( -8.918 6.118 -1.912) 10.983 5.117 ( 10.541 -3.843 6.001) 12.723 5.589 ( -0.909 4.611 -17.494) 18.115 6.253 ( 2.632 -2.081 -4.962) 5.990 6.404 ( 8.770 1.876 1.452) 9.085 6.455 ( 5.016 0.623 -7.412) 8.971 6.588 ( -9.077 -2.133 12.208) 15.362 7.085 ( -11.843 3.640 -0.261) 12.393 7.171 ( -5.639 -0.580 -4.716) 7.374 7.349 ( -11.203 -9.110 -4.122) 15.016 7.986 ( 0.447 -0.966 3.128) 3.304 8.194 ( 2.586 3.668 3.722) 5.831 8.985 ( 14.051 -1.418 -3.926) 14.658 9.601 ( 7.916 -7.485 -4.154) 11.659 9.991 ( -1.149 -2.295 5.511) 6.079 10.084 ( 3.636 -1.667 4.934) 6.352 10.791 ( -6.047 -1.111 -2.856) 6.779 11.570 ( -8.383 5.028 6.806) 11.911 12.495 ( -4.598 19.339 -22.604) 30.101 16.417 ( 1.685 4.315 5.407) 7.120 16.517 ( -2.571 0.447 2.013) 3.296 17.066 ( 2.889 2.148 1.851) 4.048 17.297 ( 0.074 -6.061 2.574) 6.585 17.361 ( -2.463 1.706 -3.365) 4.505 17.546 ( -4.767 -1.959 -4.493) 6.837 17.681 ( 0.015 -6.086 -4.109) 7.343 18.799 ( -5.405 20.663 -2.608) 21.516 ======================= Grid point 163 (70/250) ======================= q-point: (-0.11 -0.11 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.311 ( -10.718 0.000 10.289) 14.857 0.328 ( -10.718 0.000 11.002) 15.360 0.652 ( -27.633 0.000 6.731) 28.441 1.981 ( 5.001 -0.000 1.175) 5.137 2.433 ( 6.526 -0.000 -3.273) 7.300 2.435 ( 1.282 -0.000 -0.036) 1.282 2.681 ( 0.699 -0.000 0.968) 1.195 2.963 ( 0.303 -0.000 2.659) 2.676 3.537 ( 5.563 -0.000 4.433) 7.113 4.474 ( -5.829 0.000 -2.106) 6.198 5.193 ( 5.582 -0.000 1.890) 5.894 5.557 ( 3.628 -0.000 -17.848) 18.213 6.248 ( 3.760 -0.000 -2.718) 4.639 6.490 ( -9.521 0.000 6.773) 11.685 6.499 ( 4.574 -0.000 -0.682) 4.625 6.538 ( 8.950 -0.000 1.988) 9.169 7.053 ( -13.387 0.000 -1.792) 13.506 7.081 ( -8.374 0.000 -7.106) 10.983 7.115 ( -1.845 0.000 6.458) 6.717 7.980 ( -1.222 0.000 2.008) 2.351 8.303 ( 4.130 -0.000 3.857) 5.651 9.074 ( 11.722 -0.000 -5.162) 12.808 9.534 ( 2.916 -0.000 -3.741) 4.743 9.956 ( -4.585 0.000 5.670) 7.292 10.131 ( 3.359 -0.000 2.501) 4.188 10.687 ( -6.552 0.000 -9.718) 11.721 11.572 ( -7.129 0.000 5.927) 9.271 12.516 ( -9.492 0.000 -29.658) 31.140 16.484 ( -1.216 0.000 2.279) 2.583 16.507 ( -3.903 0.000 -0.990) 4.027 17.165 ( 8.522 -0.000 9.545) 12.796 17.192 ( -2.004 0.000 -2.439) 3.157 17.370 ( 1.052 -0.000 1.481) 1.817 17.408 ( -8.980 0.000 -6.532) 11.105 17.655 ( 2.916 -0.000 -0.075) 2.917 19.048 ( 3.215 -0.000 -7.686) 8.331 ======================= Grid point 164 (71/250) ======================= q-point: ( 0.00 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.731 ( 1.247 -0.000 16.282) 16.330 0.782 ( 2.447 -0.000 17.956) 18.122 1.280 ( 8.275 -0.000 26.966) 28.207 2.022 ( -1.415 0.000 0.396) 1.470 2.361 ( -0.787 0.000 -3.381) 3.471 2.367 ( 2.193 -0.000 -7.173) 7.501 2.783 ( 3.481 -0.000 2.859) 4.505 3.072 ( 0.469 -0.000 3.908) 3.936 3.659 ( -7.441 0.000 4.990) 8.960 4.349 ( -0.555 0.000 -6.248) 6.272 4.881 ( -12.427 0.000 -9.652) 15.735 5.237 ( 16.178 -0.000 -18.149) 24.312 6.302 ( -0.103 0.000 -3.358) 3.360 6.469 ( -1.711 0.000 2.318) 2.881 6.718 ( -0.431 0.000 1.601) 1.658 6.718 ( 1.184 -0.000 5.519) 5.644 7.003 ( 6.063 -0.000 6.563) 8.935 7.004 ( 9.156 -0.000 3.791) 9.910 7.538 ( 8.324 -0.000 12.770) 15.244 7.922 ( -4.828 0.000 -1.561) 5.074 8.184 ( -9.469 0.000 3.237) 10.007 8.954 ( -0.001 0.000 -10.998) 10.998 9.536 ( 8.496 -0.000 -1.789) 8.682 9.989 ( -7.311 0.000 4.123) 8.394 10.039 ( -1.640 0.000 -5.507) 5.746 10.656 ( 12.489 -0.000 0.005) 12.489 11.486 ( -8.993 0.000 0.262) 8.996 12.167 ( 3.636 -0.000 -14.661) 15.105 16.382 ( -5.257 0.000 -3.019) 6.062 16.409 ( 6.539 -0.000 -2.338) 6.945 17.094 ( -0.095 0.000 -2.065) 2.067 17.213 ( -0.903 0.000 -2.108) 2.293 17.583 ( 1.538 -0.000 2.968) 3.342 17.627 ( 3.060 -0.000 6.385) 7.080 17.703 ( 2.208 -0.000 4.138) 4.690 18.888 ( 2.766 -0.000 -1.588) 3.189 ======================= Grid point 165 (72/250) ======================= q-point: ( 0.11 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.827 ( 3.826 -0.871 14.298) 14.827 0.948 ( 9.163 -2.821 15.717) 18.410 1.504 ( 7.985 -1.760 20.519) 22.088 1.996 ( -4.394 0.601 0.753) 4.498 2.288 ( 1.732 4.116 -3.878) 5.914 2.378 ( 0.225 -1.169 -4.417) 4.575 2.817 ( 2.026 1.243 3.572) 4.290 3.096 ( 0.705 0.177 3.541) 3.615 3.616 ( -12.781 -4.823 4.781) 14.473 4.296 ( -1.145 0.462 -9.269) 9.351 4.700 ( -9.309 1.895 -8.845) 12.980 5.352 ( 17.544 -0.802 -16.431) 24.051 6.240 ( -4.663 1.789 -2.459) 5.567 6.458 ( -2.296 -0.013 4.978) 5.482 6.697 ( -1.926 1.290 1.750) 2.904 6.774 ( 2.801 -0.689 2.657) 3.922 7.022 ( 12.034 5.850 7.323) 15.253 7.248 ( 9.619 -6.601 6.526) 13.367 7.710 ( 9.636 -2.531 9.579) 13.821 7.873 ( -3.848 -0.840 -2.608) 4.724 8.108 ( -8.467 -0.136 4.498) 9.589 8.863 ( -3.842 2.135 -11.308) 12.132 9.629 ( 4.603 -1.715 -2.513) 5.518 9.939 ( -5.290 -0.823 2.309) 5.831 10.001 ( -0.849 -0.717 -5.043) 5.164 10.739 ( 3.239 0.634 3.487) 4.801 11.388 ( -4.861 1.560 -1.284) 5.264 12.143 ( 9.040 2.779 -17.729) 20.094 16.328 ( -3.988 -1.108 -3.632) 5.507 16.451 ( 3.526 0.841 -1.330) 3.861 17.093 ( -1.415 -0.811 -1.868) 2.480 17.221 ( 2.878 -1.308 -3.559) 4.760 17.572 ( 1.180 1.812 2.495) 3.302 17.661 ( 0.051 2.514 5.886) 6.401 17.756 ( 2.501 -0.823 5.268) 5.889 18.832 ( 4.640 8.505 2.696) 10.057 ======================= Grid point 166 (73/250) ======================= q-point: ( 0.22 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.970 ( 5.351 -3.482 11.108) 12.812 1.189 ( 12.412 -4.146 13.205) 18.591 1.645 ( 4.833 1.679 11.385) 12.482 1.889 ( -6.469 5.393 -1.033) 8.485 2.244 ( 1.478 2.461 -0.097) 2.872 2.386 ( 0.921 -1.067 -0.901) 1.673 2.813 ( -1.782 1.036 3.499) 4.061 3.098 ( 0.921 2.332 2.068) 3.250 3.620 ( -15.124 -9.903 5.372) 18.859 4.241 ( 0.169 0.339 -9.220) 9.228 4.566 ( -5.988 -0.543 -9.135) 10.936 5.452 ( 17.522 2.451 -13.947) 22.528 6.154 ( -3.903 1.426 -1.816) 4.535 6.465 ( -0.590 0.392 5.059) 5.109 6.665 ( -2.616 0.668 3.664) 4.551 6.809 ( 1.415 0.790 3.173) 3.563 7.101 ( 13.644 4.190 6.539) 15.700 7.454 ( 5.359 -4.350 5.020) 8.535 7.785 ( -0.259 0.064 -2.750) 2.763 7.951 ( 7.254 -2.251 1.149) 7.682 8.052 ( -7.715 -2.407 7.879) 11.287 8.712 ( -6.156 3.160 -11.382) 13.321 9.626 ( -3.649 0.468 -3.224) 4.892 9.942 ( 0.740 -0.867 0.054) 1.141 10.040 ( 3.176 -5.134 -3.185) 6.826 10.759 ( -1.760 -0.486 5.785) 6.066 11.338 ( 0.328 1.015 -1.297) 1.679 12.078 ( 6.050 5.659 -13.507) 15.845 16.297 ( -3.053 -1.148 -3.870) 5.061 16.445 ( -0.501 0.719 -0.190) 0.896 17.075 ( -2.355 -0.448 -0.844) 2.541 17.256 ( 1.830 -0.932 -4.043) 4.534 17.541 ( -1.091 4.399 6.166) 7.653 17.664 ( 7.043 1.842 2.353) 7.651 17.825 ( 1.087 -2.354 3.914) 4.695 18.749 ( 4.198 8.077 2.688) 9.492 ======================= Grid point 167 (74/250) ======================= q-point: ( 0.33 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( 5.501 -5.248 7.541) 10.709 1.435 ( 9.777 -2.673 9.852) 14.135 1.652 ( -0.759 4.930 6.852) 8.475 1.705 ( 0.050 7.795 -2.340) 8.139 2.192 ( -2.773 3.881 2.682) 5.472 2.427 ( 1.428 -0.834 2.427) 2.937 2.782 ( -6.129 -1.158 1.594) 6.438 3.051 ( 0.244 4.160 0.539) 4.202 3.699 ( -13.584 -13.079 5.714) 19.704 4.192 ( 3.454 4.470 -4.610) 7.291 4.531 ( -4.790 -7.728 -12.384) 15.363 5.497 ( 17.055 6.399 -10.934) 21.245 6.103 ( -1.838 0.078 -1.460) 2.349 6.469 ( 0.364 1.675 4.645) 4.951 6.658 ( -0.895 0.354 4.256) 4.363 6.804 ( 0.013 2.368 4.292) 4.902 7.200 ( 11.652 2.611 3.323) 12.395 7.521 ( -2.209 -1.128 -1.874) 3.109 7.814 ( -0.724 -1.646 3.943) 4.333 7.868 ( -5.099 3.340 -2.320) 6.522 8.214 ( 6.066 -5.652 5.652) 10.034 8.542 ( -5.701 2.674 -11.003) 12.677 9.555 ( -5.810 -0.412 -2.747) 6.440 9.981 ( 6.116 0.417 0.371) 6.142 10.176 ( 4.259 -6.815 -6.340) 10.237 10.800 ( -3.150 -4.243 9.448) 10.826 11.330 ( 4.994 3.370 -0.876) 6.088 11.960 ( -1.186 4.729 -7.063) 8.582 16.269 ( -2.028 -0.568 -3.332) 3.942 16.427 ( -2.626 -0.707 0.103) 2.721 17.061 ( -2.446 -0.987 0.415) 2.670 17.239 ( -1.142 1.556 -1.481) 2.433 17.502 ( 1.644 2.644 4.109) 5.155 17.735 ( 9.148 1.357 1.038) 9.306 17.890 ( -0.316 -2.727 3.511) 4.457 18.642 ( 1.208 8.260 -1.554) 8.491 ======================= Grid point 168 (75/250) ======================= q-point: ( 0.44 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( 1.361 4.278 2.806) 5.294 1.392 ( -6.685 -0.083 -1.665) 6.890 1.580 ( 1.508 7.302 7.473) 10.556 1.765 ( 14.334 -0.482 6.720) 15.838 2.087 ( -5.436 4.670 5.638) 9.119 2.429 ( -2.142 1.882 2.201) 3.602 2.758 ( -7.179 -4.350 -1.889) 8.604 2.979 ( 0.386 4.218 0.293) 4.245 3.831 ( -10.176 -12.967 5.018) 17.230 4.111 ( 3.815 7.614 -0.257) 8.520 4.619 ( -2.645 -13.144 -14.482) 19.735 5.489 ( 15.889 9.012 -7.441) 19.724 6.100 ( -0.024 -1.421 -1.146) 1.826 6.459 ( 1.868 2.681 3.415) 4.726 6.642 ( 1.911 4.963 2.409) 5.839 6.784 ( -2.570 0.152 5.125) 5.735 7.251 ( 5.026 2.176 -2.192) 5.899 7.465 ( -6.971 2.294 -0.719) 7.374 7.700 ( -5.773 0.424 -2.082) 6.151 7.941 ( 5.202 -1.775 5.409) 7.712 8.250 ( -8.357 2.464 -1.773) 8.891 8.514 ( 7.524 -4.073 -5.986) 10.442 9.516 ( -3.621 -2.166 -1.835) 4.601 10.049 ( 10.255 1.623 -1.280) 10.461 10.258 ( 1.098 -3.044 -8.838) 9.412 10.944 ( -4.178 -10.348 11.579) 16.081 11.271 ( 6.130 10.175 -2.160) 12.073 11.872 ( -6.014 -1.848 1.367) 6.438 16.252 ( -0.760 -0.756 -2.178) 2.428 16.420 ( -3.450 -2.058 -0.035) 4.018 17.062 ( -2.174 -1.100 1.808) 3.034 17.195 ( -1.439 0.853 0.217) 1.687 17.508 ( 2.021 0.880 1.889) 2.904 17.795 ( 8.775 3.327 1.686) 9.535 17.946 ( -1.745 -3.306 2.716) 4.621 18.468 ( -1.733 9.231 -6.564) 11.458 ======================= Grid point 169 (76/250) ======================= q-point: (-0.44 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( -6.591 12.832 0.119) 14.427 1.326 ( -7.428 6.032 -0.542) 9.584 1.608 ( 5.165 -0.296 9.586) 10.893 1.846 ( -0.606 4.418 7.183) 8.455 2.057 ( 6.816 0.298 4.462) 8.152 2.358 ( -5.291 1.155 0.493) 5.438 2.759 ( -3.247 -2.847 -4.540) 6.266 2.935 ( -0.262 0.990 1.745) 2.024 3.947 ( 2.303 0.876 4.386) 5.030 4.040 ( -6.674 -4.287 1.226) 8.026 4.773 ( -0.535 -13.171 -15.029) 19.991 5.456 ( 13.594 9.011 -3.782) 16.742 6.137 ( 1.709 -2.311 -1.317) 3.162 6.450 ( 3.720 3.067 1.422) 5.026 6.540 ( 2.376 8.519 -1.618) 8.991 6.796 ( -3.777 -1.980 5.884) 7.267 7.220 ( -1.401 1.777 -2.455) 3.339 7.296 ( -10.541 4.763 0.887) 11.601 7.688 ( 0.299 0.608 -2.156) 2.260 8.015 ( -1.354 -1.805 -0.342) 2.282 8.117 ( -2.565 2.492 3.686) 5.135 8.657 ( 7.981 -5.036 -6.249) 11.319 9.539 ( 1.351 -2.552 -1.667) 3.334 10.113 ( 12.322 2.922 -5.667) 13.874 10.242 ( -3.287 -0.910 -5.037) 6.083 10.996 ( -0.361 9.505 -9.788) 13.649 11.214 ( -8.182 -8.840 13.964) 18.442 11.930 ( -1.980 -6.286 8.500) 10.755 16.263 ( 0.005 -1.864 -1.571) 2.438 16.429 ( -3.089 -2.773 0.938) 4.256 17.069 ( -1.387 -0.706 2.912) 3.302 17.193 ( -1.146 -1.908 0.295) 2.246 17.519 ( 0.951 0.597 1.860) 2.172 17.802 ( 5.008 5.564 1.684) 7.673 17.974 ( -1.761 0.202 -1.358) 2.233 18.267 ( -2.246 5.318 -6.151) 8.436 ======================= Grid point 170 (77/250) ======================= q-point: (-0.33 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.771 ( -5.866 10.985 3.998) 13.080 1.096 ( -8.506 10.385 3.529) 13.880 1.541 ( -8.822 10.886 14.510) 20.171 1.909 ( 6.054 -5.761 2.741) 8.795 2.121 ( 5.089 2.246 -0.121) 5.564 2.339 ( -0.901 -2.942 0.397) 3.103 2.738 ( 0.576 1.102 -4.219) 4.398 2.958 ( -0.967 -2.785 2.310) 3.745 3.884 ( 6.049 9.998 4.728) 12.606 4.139 ( -8.774 -12.203 0.767) 15.050 4.902 ( 1.207 -8.955 -16.420) 18.742 5.428 ( 8.557 6.136 -1.500) 10.636 6.198 ( 4.915 -1.644 -2.360) 5.694 6.368 ( 1.533 6.910 -6.352) 9.511 6.493 ( 5.878 2.113 2.916) 6.893 6.815 ( -4.802 -2.276 5.195) 7.431 7.095 ( -13.229 3.249 4.531) 14.356 7.187 ( 0.274 2.908 -0.455) 2.957 7.587 ( -3.553 6.643 -1.977) 7.789 8.029 ( -1.323 -3.414 -2.693) 4.545 8.136 ( 1.763 0.296 7.205) 7.424 8.787 ( 7.346 -4.644 -8.131) 11.902 9.603 ( 7.450 -0.371 -3.772) 8.359 10.123 ( 4.660 2.370 -10.013) 11.296 10.211 ( -1.019 0.554 0.863) 1.446 10.721 ( -4.115 10.779 -11.378) 16.204 11.357 ( -11.954 -11.683 9.894) 19.423 12.085 ( -0.058 -6.355 11.164) 12.846 16.291 ( -0.992 -2.824 -2.987) 4.229 16.467 ( -1.346 -2.884 3.882) 5.020 17.097 ( 0.476 -1.994 3.734) 4.260 17.227 ( -1.295 -2.903 -0.012) 3.179 17.523 ( -0.069 0.745 3.152) 3.239 17.672 ( -5.417 8.748 -7.023) 12.458 17.877 ( 5.150 8.210 -2.812) 10.092 18.271 ( -1.413 -7.114 3.266) 7.954 ======================= Grid point 171 (78/250) ======================= q-point: (-0.22 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.607 ( -3.264 5.464 11.577) 13.211 0.868 ( -8.057 8.383 9.990) 15.329 1.312 ( -7.358 12.817 19.465) 24.440 2.042 ( 4.411 1.235 1.458) 4.807 2.160 ( 2.246 -6.766 -3.548) 7.963 2.395 ( 1.947 -1.646 -1.161) 2.801 2.714 ( 2.070 1.139 -1.855) 3.003 3.011 ( 0.059 -2.219 2.466) 3.318 3.797 ( 2.944 7.839 5.323) 9.922 4.259 ( -4.537 -9.062 -0.353) 10.141 4.960 ( 2.336 -4.867 -17.483) 18.297 5.377 ( 1.219 4.885 -4.790) 6.949 6.249 ( 9.210 3.868 -4.752) 11.062 6.312 ( 3.913 -2.306 -3.263) 5.593 6.557 ( 5.593 -0.520 4.453) 7.168 6.819 ( -6.478 -2.308 4.114) 8.014 6.933 ( -11.610 3.165 5.981) 13.438 7.134 ( -0.743 3.675 1.112) 3.911 7.448 ( 1.541 6.936 3.857) 8.085 8.038 ( -2.267 -0.243 -1.470) 2.713 8.192 ( -0.951 -2.981 4.790) 5.721 8.893 ( 6.862 -3.545 -9.545) 12.279 9.635 ( 10.485 5.306 -9.409) 15.054 10.072 ( -2.890 -0.473 -4.699) 5.537 10.161 ( -4.036 3.117 -0.717) 5.150 10.517 ( 1.973 4.686 -7.259) 8.863 11.461 ( -10.412 -9.800 5.290) 15.246 12.205 ( -3.324 -3.815 7.589) 9.121 16.313 ( -0.839 -2.808 -4.007) 4.964 16.510 ( -2.268 -1.217 3.349) 4.224 17.204 ( 4.035 -5.341 6.154) 9.093 17.251 ( -1.102 -1.073 -0.917) 1.791 17.382 ( -5.994 9.491 -8.678) 14.188 17.546 ( -0.386 -0.593 3.909) 3.972 17.794 ( 5.183 7.534 0.229) 9.148 18.460 ( -0.781 -13.015 6.138) 14.411 ======================= Grid point 172 (79/250) ======================= q-point: (-0.11 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.630 ( -0.047 -1.204 17.316) 17.358 0.754 ( -4.819 3.909 16.450) 17.581 1.178 ( 1.269 8.887 25.401) 26.940 2.035 ( 0.636 1.347 0.278) 1.516 2.296 ( 2.432 -6.259 -5.161) 8.469 2.407 ( 0.961 0.696 -3.666) 3.854 2.733 ( 3.140 -0.288 1.190) 3.370 3.050 ( 0.667 -0.369 3.158) 3.249 3.721 ( -1.744 4.419 5.402) 7.194 4.343 ( -1.125 -4.171 -2.391) 4.938 4.974 ( -2.862 -4.866 -14.588) 15.642 5.253 ( 3.887 5.757 -12.860) 14.616 6.275 ( 5.644 -0.068 -2.534) 6.187 6.419 ( 7.916 -2.289 -2.787) 8.699 6.652 ( 2.634 -2.112 5.787) 6.701 6.773 ( -8.388 3.034 9.597) 13.102 6.856 ( -2.396 -3.918 0.495) 4.619 7.057 ( 2.298 6.256 2.013) 6.962 7.436 ( 6.489 3.427 10.693) 12.969 7.987 ( -4.104 1.148 -1.195) 4.426 8.234 ( -6.479 -3.200 2.739) 7.728 8.958 ( 4.713 -2.014 -10.268) 11.476 9.546 ( 7.082 7.810 -8.640) 13.631 10.046 ( -5.499 0.238 3.782) 6.679 10.069 ( -3.068 -0.282 -3.566) 4.713 10.528 ( 11.847 0.760 -3.146) 12.281 11.523 ( -8.690 -6.062 1.691) 10.729 12.211 ( -4.483 -0.833 -2.527) 5.213 16.346 ( 2.599 -2.116 -3.274) 4.686 16.471 ( -4.722 1.696 -1.232) 5.167 17.157 ( -1.542 5.596 -4.235) 7.185 17.241 ( -3.506 -0.746 -1.430) 3.859 17.424 ( 7.728 -6.646 7.113) 12.429 17.587 ( 0.880 -0.583 6.737) 6.819 17.720 ( 2.757 5.345 -0.149) 6.016 18.733 ( 1.264 -13.839 2.672) 14.151 ======================= Grid point 174 (80/250) ======================= q-point: ( 0.11 0.11 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.912 ( 3.195 -0.000 12.226) 12.637 1.107 ( 12.773 -0.000 14.390) 19.241 1.685 ( 10.206 -0.000 18.201) 20.868 1.962 ( -4.848 0.000 1.831) 5.183 2.328 ( 0.455 -0.000 -5.850) 5.868 2.344 ( 1.418 -0.000 -1.577) 2.121 2.867 ( 0.754 -0.000 4.538) 4.600 3.111 ( -0.799 0.000 4.805) 4.871 3.435 ( -17.309 0.000 3.765) 17.714 4.176 ( -6.970 0.000 -17.786) 19.103 4.638 ( -3.258 0.000 -2.026) 3.837 5.475 ( 21.531 -0.000 -17.536) 27.768 6.185 ( -6.091 0.000 -2.383) 6.540 6.473 ( -0.123 0.000 7.614) 7.615 6.689 ( -3.766 0.000 1.423) 4.026 6.820 ( 4.447 -0.000 2.765) 5.237 7.260 ( 9.868 -0.000 5.564) 11.329 7.301 ( 12.959 -0.000 6.855) 14.661 7.817 ( -2.239 0.000 -2.252) 3.176 7.836 ( 8.936 -0.000 11.598) 14.641 8.030 ( -9.400 0.000 2.914) 9.842 8.775 ( -7.302 0.000 -10.744) 12.990 9.656 ( 0.523 -0.000 1.267) 1.371 9.909 ( -0.745 0.000 2.475) 2.585 9.954 ( -0.067 0.000 -6.212) 6.212 10.736 ( -7.094 0.000 5.213) 8.803 11.329 ( -5.469 0.000 -1.065) 5.571 12.234 ( 19.771 -0.000 -27.207) 33.632 16.260 ( -3.412 0.000 -3.478) 4.872 16.470 ( -1.017 0.000 -0.629) 1.196 17.084 ( 0.641 -0.000 -1.342) 1.487 17.225 ( 4.152 -0.000 -5.873) 7.193 17.613 ( 1.563 -0.000 3.542) 3.871 17.642 ( -1.949 0.000 -0.218) 1.961 17.857 ( 3.159 -0.000 11.275) 11.709 18.954 ( 3.814 -0.000 -1.358) 4.048 ======================= Grid point 175 (81/250) ======================= q-point: ( 0.22 0.11 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( 3.189 -2.065 9.410) 10.148 1.324 ( 13.019 -2.207 12.999) 18.529 1.820 ( 7.135 3.743 11.159) 13.763 1.904 ( -3.627 2.294 1.687) 4.611 2.289 ( 0.376 1.937 -1.964) 2.784 2.373 ( 1.736 -1.481 -0.353) 2.309 2.843 ( -4.243 3.556 5.475) 7.786 3.134 ( -0.040 -0.428 3.316) 3.344 3.316 ( -18.959 -6.591 4.448) 20.559 4.059 ( -5.964 -4.928 -19.432) 20.915 4.590 ( 1.407 3.833 -1.277) 4.279 5.615 ( 21.308 0.951 -16.418) 26.916 6.115 ( -4.723 0.385 -1.209) 4.890 6.513 ( 1.822 0.695 7.342) 7.597 6.648 ( -4.705 -0.005 2.493) 5.325 6.876 ( 4.733 1.055 3.856) 6.196 7.336 ( 10.845 3.934 5.742) 12.887 7.460 ( 4.424 -2.043 0.661) 4.918 7.797 ( 1.369 1.187 2.846) 3.374 7.937 ( -10.700 -0.380 1.762) 10.851 8.017 ( 8.996 -4.034 7.459) 12.363 8.623 ( -9.675 1.612 -10.294) 14.218 9.607 ( -4.762 2.665 -0.552) 5.485 9.952 ( 3.980 -1.166 2.673) 4.934 9.977 ( 3.314 -3.652 -4.518) 6.688 10.691 ( -9.676 -2.923 5.617) 11.564 11.297 ( -2.995 -1.813 0.396) 3.523 12.253 ( 18.115 7.248 -24.890) 31.626 16.227 ( -2.287 -1.127 -3.390) 4.242 16.434 ( -4.248 0.440 0.090) 4.272 17.073 ( 0.502 1.316 -0.976) 1.714 17.244 ( 2.680 -0.747 -5.871) 6.497 17.611 ( -2.458 1.497 1.931) 3.466 17.668 ( 4.103 -1.588 1.160) 4.550 17.917 ( 3.048 1.612 10.239) 10.804 18.923 ( 3.243 6.172 -1.596) 7.153 ======================= Grid point 176 (82/250) ======================= q-point: ( 0.33 0.11 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( 2.187 -4.214 5.792) 7.489 1.541 ( 9.034 -1.533 10.659) 14.056 1.752 ( -3.868 6.241 3.701) 8.222 1.884 ( 8.953 5.554 3.618) 11.140 2.240 ( -2.073 3.263 1.769) 4.251 2.426 ( 1.332 -2.130 1.379) 2.866 2.723 ( -10.760 3.210 4.700) 12.173 3.111 ( -0.543 2.916 -1.457) 3.305 3.347 ( -14.809 -13.014 8.028) 21.287 4.065 ( -0.647 -9.262 -18.499) 20.698 4.523 ( 3.045 5.817 -0.837) 6.619 5.717 ( 19.265 3.739 -14.255) 24.255 6.073 ( -2.338 -0.180 -0.214) 2.355 6.533 ( -0.226 1.589 6.025) 6.235 6.642 ( -1.271 -1.657 3.568) 4.135 6.903 ( 3.911 3.415 4.374) 6.789 7.376 ( 5.429 4.640 1.233) 7.247 7.485 ( 1.900 -0.341 -2.129) 2.873 7.743 ( -13.336 1.248 2.375) 13.603 7.912 ( 5.550 0.127 3.403) 6.511 8.206 ( 4.984 -4.459 5.019) 8.361 8.455 ( -8.135 0.692 -9.265) 12.349 9.505 ( -4.342 1.915 -2.074) 5.179 10.037 ( 4.516 -1.492 3.714) 6.035 10.088 ( 6.371 -5.469 -7.123) 11.011 10.698 ( -8.544 -5.373 7.809) 12.761 11.342 ( -0.103 -3.959 4.544) 6.027 12.129 ( 11.702 12.960 -19.470) 26.153 16.216 ( -1.196 -1.269 -3.201) 3.645 16.384 ( -4.891 -0.262 0.329) 4.909 17.050 ( 0.310 1.131 -0.493) 1.272 17.240 ( -0.003 0.572 -3.443) 3.490 17.562 ( -2.032 1.786 1.830) 3.266 17.754 ( 4.802 -2.260 0.173) 5.310 17.964 ( 3.246 1.620 8.321) 9.078 18.805 ( 1.862 9.106 -3.324) 9.871 ======================= Grid point 177 (83/250) ======================= q-point: ( 0.44 0.11 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( -0.779 -5.318 1.841) 5.681 1.480 ( -3.280 11.157 0.376) 11.635 1.737 ( 3.331 2.806 9.082) 10.072 1.942 ( 11.636 1.603 5.199) 12.845 2.144 ( -4.854 4.910 5.424) 8.781 2.453 ( -1.689 2.029 2.206) 3.441 2.597 ( -10.698 -2.755 0.160) 11.048 3.040 ( -0.772 3.220 -1.894) 3.815 3.492 ( -10.907 -14.234 7.262) 19.346 4.174 ( 5.649 -7.550 -15.559) 18.193 4.460 ( 2.078 3.086 -0.236) 3.728 5.747 ( 15.457 6.789 -11.295) 20.312 6.072 ( -0.180 -1.139 0.345) 1.204 6.525 ( -0.947 0.959 4.499) 4.696 6.689 ( 1.283 -1.118 3.081) 3.519 6.863 ( 1.079 6.274 2.558) 6.860 7.306 ( -1.415 3.431 -4.232) 5.629 7.461 ( -6.408 4.183 2.621) 8.089 7.644 ( -0.195 -1.706 -1.372) 2.198 7.979 ( 1.304 -0.334 2.509) 2.848 8.215 ( -5.057 2.339 1.075) 5.675 8.457 ( 3.186 -5.832 -4.102) 7.810 9.460 ( -0.567 -0.975 -1.652) 2.000 10.118 ( 1.485 -2.454 2.158) 3.590 10.190 ( 8.303 -2.098 -13.390) 15.894 10.781 ( -7.661 -8.324 13.169) 17.361 11.450 ( 4.859 -0.681 6.872) 8.444 11.896 ( 2.414 12.111 -11.887) 17.140 16.217 ( -0.022 -1.135 -2.672) 2.903 16.353 ( -4.110 -1.475 0.722) 4.426 17.039 ( -0.077 0.142 0.179) 0.241 17.202 ( -1.380 1.340 -0.720) 2.054 17.533 ( -1.399 0.382 1.054) 1.793 17.839 ( 4.061 -2.179 -0.424) 4.629 17.990 ( 1.568 2.427 5.864) 6.537 18.621 ( 1.041 11.115 -5.697) 12.533 ======================= Grid point 178 (84/250) ======================= q-point: (-0.44 0.11 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( -6.523 9.872 0.928) 11.869 1.302 ( -1.633 2.763 -1.717) 3.640 1.754 ( 5.163 2.341 7.660) 9.529 1.931 ( -7.169 7.354 7.784) 12.887 2.157 ( 7.522 -2.258 5.886) 9.814 2.332 ( -7.285 4.443 0.160) 8.534 2.628 ( -1.993 -6.324 -1.483) 6.795 2.974 ( -0.238 2.874 -1.112) 3.091 3.667 ( -8.730 -14.137 5.446) 17.485 4.215 ( 8.099 6.251 -5.228) 11.489 4.523 ( 2.592 -9.598 -6.774) 12.030 5.700 ( 9.816 8.321 -8.572) 15.462 6.110 ( 1.415 -2.260 0.504) 2.713 6.526 ( 0.862 0.897 2.989) 3.238 6.688 ( 1.458 6.048 -3.089) 6.946 6.762 ( -3.236 1.680 2.240) 4.279 7.196 ( -8.885 2.788 1.097) 9.376 7.331 ( -1.324 4.642 1.561) 5.073 7.708 ( 4.889 -0.629 -1.812) 5.252 7.939 ( -5.762 -0.363 -4.498) 7.319 8.180 ( 0.719 1.926 8.365) 8.614 8.579 ( 2.909 -6.715 -5.791) 9.332 9.514 ( 4.365 -3.288 -0.568) 5.494 10.144 ( -3.624 -2.218 -7.163) 8.328 10.227 ( 9.228 1.087 -9.551) 13.325 10.923 ( -7.515 -8.943 12.965) 17.451 11.347 ( 3.774 18.265 -7.039) 19.935 11.838 ( -1.708 -6.425 10.690) 12.588 16.229 ( 0.503 -1.174 -2.592) 2.890 16.364 ( -1.920 -2.705 2.537) 4.177 17.042 ( -1.065 -0.816 0.921) 1.627 17.177 ( -0.521 0.127 0.756) 0.926 17.522 ( -2.151 -0.422 0.868) 2.358 17.893 ( 1.933 1.391 -2.440) 3.409 17.956 ( -1.824 1.595 1.594) 2.901 18.419 ( 3.314 11.004 -3.572) 12.035 ======================= Grid point 179 (85/250) ======================= q-point: (-0.33 0.11 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( -1.291 12.568 3.628) 13.145 1.160 ( -7.774 7.101 0.203) 10.531 1.733 ( -7.357 10.449 12.323) 17.753 1.861 ( 4.166 -5.321 2.419) 7.177 2.196 ( -5.412 3.185 -0.717) 6.321 2.294 ( 5.018 -2.896 3.180) 6.609 2.715 ( 2.127 -3.583 -2.440) 4.829 2.937 ( -0.082 0.552 1.147) 1.276 3.847 ( -6.531 -13.166 3.555) 15.121 4.128 ( 5.501 9.798 1.353) 11.318 4.711 ( 6.050 -9.972 -11.524) 16.397 5.586 ( 2.230 7.758 -7.409) 10.957 6.180 ( 1.868 -3.502 0.310) 3.981 6.491 ( 2.323 6.954 -5.614) 9.235 6.584 ( 2.036 2.025 2.716) 3.953 6.739 ( -4.357 -1.167 -0.065) 4.511 7.054 ( -11.088 3.116 5.836) 12.912 7.280 ( 3.340 4.568 3.532) 6.670 7.687 ( 3.311 5.615 -2.189) 6.876 7.931 ( -1.227 -4.301 -3.588) 5.734 8.193 ( -0.905 1.319 8.212) 8.366 8.700 ( 3.417 -6.967 -7.763) 10.976 9.640 ( 8.241 -3.527 -1.025) 9.023 10.072 ( -4.333 -0.137 -12.514) 13.243 10.250 ( 4.322 1.357 -5.314) 6.983 10.897 ( -2.592 14.195 -4.134) 15.010 11.137 ( -5.663 -4.783 5.372) 9.155 12.019 ( -1.851 -7.019 16.039) 17.606 16.244 ( 0.882 -1.335 -2.788) 3.214 16.427 ( 0.059 -3.160 4.710) 5.672 17.062 ( -1.057 -2.573 2.167) 3.526 17.194 ( 0.679 -1.127 1.226) 1.799 17.510 ( -3.390 -1.012 1.085) 3.701 17.727 ( -6.336 8.764 -8.411) 13.701 17.968 ( 2.141 0.534 -1.873) 2.894 18.322 ( 5.865 5.374 4.933) 9.361 ======================= Grid point 180 (86/250) ======================= q-point: (-0.22 0.11 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.794 ( 2.469 10.344 7.489) 13.007 0.966 ( -5.936 7.326 7.795) 12.234 1.547 ( -4.387 10.232 14.563) 18.331 2.014 ( 0.002 -8.140 -2.344) 8.470 2.112 ( -0.436 2.326 1.254) 2.678 2.381 ( 1.973 -1.994 0.157) 2.810 2.753 ( 3.512 0.814 -2.360) 4.309 2.976 ( 0.570 -3.043 3.153) 4.419 3.952 ( -3.192 2.979 2.625) 5.094 4.080 ( 1.304 -4.923 3.730) 6.313 4.849 ( 6.676 -4.507 -16.153) 18.050 5.424 ( -3.452 5.246 -7.942) 10.124 6.249 ( -2.478 -3.707 -1.369) 4.664 6.400 ( 8.206 4.624 -3.987) 10.228 6.633 ( 5.342 -0.097 5.872) 7.939 6.712 ( -4.892 -1.926 -0.868) 5.329 6.916 ( -10.215 3.096 6.262) 12.376 7.258 ( 4.892 5.359 5.877) 9.338 7.630 ( 7.683 6.596 2.012) 10.324 7.967 ( -2.390 -2.967 -4.070) 5.575 8.186 ( -3.253 0.695 6.668) 7.452 8.812 ( 3.248 -6.111 -9.466) 11.726 9.751 ( 8.370 0.853 -7.409) 11.210 9.984 ( -3.395 -1.831 -8.994) 9.786 10.183 ( -3.533 5.264 -2.641) 6.868 10.646 ( 3.041 8.569 -2.440) 9.415 11.242 ( -4.159 -8.495 3.367) 10.040 12.140 ( -5.595 -3.545 11.964) 13.675 16.276 ( 2.760 -1.731 -2.328) 4.004 16.484 ( -1.442 -1.190 3.068) 3.593 17.147 ( -0.070 -5.285 4.204) 6.754 17.237 ( 2.779 -2.030 2.509) 4.259 17.443 ( -6.285 7.209 -10.050) 13.874 17.518 ( -2.409 0.234 2.673) 3.606 17.929 ( 1.488 4.631 -2.649) 5.539 18.394 ( 5.475 -2.624 9.524) 11.295 ======================= Grid point 181 (87/250) ======================= q-point: (-0.11 0.11 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.752 ( 4.359 3.910 13.338) 14.567 0.888 ( 2.157 5.205 14.565) 15.616 1.446 ( 1.614 7.348 17.715) 19.246 2.030 ( -5.225 -1.212 -0.942) 5.445 2.189 ( 3.864 -5.302 -1.944) 6.843 2.403 ( 0.297 -0.158 -2.899) 2.918 2.769 ( 3.015 0.228 0.980) 3.179 3.050 ( 1.125 -2.262 3.115) 4.011 3.806 ( -6.636 7.609 4.681) 11.128 4.237 ( 1.401 -7.235 0.135) 7.371 4.829 ( -2.867 0.215 -17.330) 17.566 5.316 ( 5.215 2.061 -11.482) 12.779 6.251 ( -3.510 -2.303 -2.084) 4.687 6.441 ( 3.952 -0.427 0.206) 3.980 6.692 ( 0.219 -0.213 -0.646) 0.714 6.751 ( 1.498 -0.991 10.060) 10.219 6.831 ( -0.034 -0.996 3.596) 3.731 7.247 ( 7.190 6.365 6.513) 11.603 7.639 ( 10.002 5.226 6.608) 13.077 7.940 ( -4.290 -0.295 -4.056) 5.911 8.162 ( -6.053 -0.049 5.440) 8.139 8.877 ( 0.313 -4.228 -10.929) 11.722 9.685 ( 3.565 5.605 -10.996) 12.847 10.002 ( -0.679 -2.585 -4.565) 5.290 10.035 ( -5.227 4.001 2.789) 7.149 10.644 ( 8.665 0.284 1.002) 8.727 11.352 ( -1.904 -6.589 -1.058) 6.940 12.142 ( -5.161 -1.030 0.411) 5.279 16.338 ( 3.642 -2.037 -2.118) 4.680 16.456 ( -2.620 1.549 -1.186) 3.267 17.165 ( -5.140 0.949 -1.311) 5.389 17.255 ( 1.181 4.482 -4.944) 6.777 17.426 ( 8.716 -7.293 8.020) 13.910 17.542 ( -3.357 -3.645 5.170) 7.161 17.832 ( -0.004 5.815 -1.871) 6.109 18.591 ( 5.142 -8.558 8.823) 13.324 ======================= Grid point 184 (88/250) ======================= q-point: ( 0.22 0.22 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( 1.602 -0.000 7.952) 8.112 1.490 ( 11.589 -0.000 12.486) 17.035 1.880 ( -4.713 0.000 2.736) 5.449 1.994 ( 8.524 -0.000 6.727) 10.858 2.299 ( 0.343 -0.000 -2.299) 2.325 2.373 ( -0.152 0.000 2.182) 2.188 2.879 ( -3.497 0.000 5.183) 6.253 3.024 ( -21.548 0.000 11.345) 24.352 3.164 ( -1.319 0.000 -2.294) 2.646 3.875 ( -2.552 0.000 -19.382) 19.550 4.645 ( 3.817 -0.000 -2.504) 4.565 5.770 ( 21.271 -0.000 -16.575) 26.966 6.074 ( -3.075 0.000 0.244) 3.084 6.580 ( 3.242 -0.000 6.606) 7.358 6.594 ( -6.683 0.000 1.815) 6.925 6.962 ( 5.625 -0.000 4.731) 7.350 7.474 ( 2.343 -0.000 -5.128) 5.638 7.479 ( 6.517 -0.000 4.996) 8.212 7.789 ( -16.093 0.000 3.599) 16.491 7.904 ( 8.916 -0.000 6.397) 10.973 8.095 ( 7.214 -0.000 5.457) 9.045 8.479 ( -12.255 0.000 -8.921) 15.158 9.583 ( -5.159 0.000 -1.083) 5.272 9.964 ( 6.046 -0.000 -5.908) 8.454 10.005 ( 4.389 -0.000 4.772) 6.484 10.570 ( -11.516 0.000 7.288) 13.628 11.261 ( -0.765 0.000 1.044) 1.294 12.396 ( 17.841 -0.000 -26.286) 31.769 16.188 ( -0.827 0.000 -2.452) 2.587 16.381 ( -6.130 0.000 0.098) 6.131 17.097 ( 1.257 -0.000 -0.166) 1.268 17.235 ( 3.062 -0.000 -7.822) 8.400 17.577 ( -3.879 0.000 -0.046) 3.879 17.742 ( 6.735 -0.000 3.775) 7.721 17.985 ( -0.043 0.000 9.094) 9.094 18.991 ( 1.900 -0.000 -4.264) 4.669 ======================= Grid point 185 (89/250) ======================= q-point: ( 0.33 0.22 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( -0.076 -1.842 6.181) 6.450 1.659 ( 7.984 -0.727 11.124) 13.712 1.814 ( -3.727 3.538 2.663) 5.788 2.063 ( 7.077 3.204 2.383) 8.126 2.273 ( -1.639 2.054 0.119) 2.631 2.386 ( -3.308 -2.370 2.685) 4.876 2.722 ( -12.277 6.874 7.053) 15.740 3.016 ( -11.475 -9.153 4.598) 15.382 3.153 ( -0.342 -0.452 1.703) 1.795 3.852 ( 3.395 -6.261 -17.235) 18.648 4.645 ( 5.130 3.662 -2.810) 6.901 5.892 ( 18.594 1.701 -15.308) 24.145 6.057 ( -0.845 0.033 1.319) 1.567 6.529 ( -6.539 -0.085 2.561) 7.023 6.650 ( 3.622 -0.836 3.890) 5.380 7.014 ( 3.401 2.121 3.660) 5.428 7.435 ( -0.247 3.063 -4.924) 5.804 7.558 ( 6.391 0.041 2.635) 6.913 7.618 ( -16.080 1.191 1.916) 16.238 8.004 ( 4.686 1.515 4.752) 6.844 8.211 ( 4.237 -2.902 4.449) 6.795 8.325 ( -9.061 -0.785 -5.686) 10.726 9.499 ( -3.445 2.423 -2.736) 5.022 10.027 ( 4.438 -2.358 -5.773) 7.654 10.090 ( 5.800 -2.384 2.477) 6.742 10.548 ( -8.600 -4.590 10.870) 14.601 11.303 ( 1.630 -3.067 5.068) 6.144 12.368 ( 13.453 8.870 -23.661) 28.627 16.183 ( 0.399 -0.620 -1.822) 1.965 16.322 ( -5.691 -0.435 0.002) 5.708 17.091 ( 1.824 1.972 -0.327) 2.706 17.232 ( 1.720 0.094 -6.125) 6.363 17.538 ( -4.149 -0.179 0.180) 4.156 17.819 ( 6.386 0.894 3.656) 7.412 18.018 ( -0.975 -0.518 6.691) 6.781 18.932 ( 0.941 5.480 -5.958) 8.149 ======================= Grid point 186 (90/250) ======================= q-point: ( 0.44 0.22 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.168 ( -2.153 -2.885 4.016) 5.393 1.639 ( -1.375 8.849 2.176) 9.215 1.820 ( 1.736 -0.408 7.356) 7.569 2.075 ( 3.680 2.343 2.971) 5.278 2.187 ( -5.739 3.741 1.932) 7.118 2.419 ( -4.859 -4.980 2.038) 7.250 2.530 ( -6.908 6.215 5.509) 10.802 3.038 ( -3.172 -1.343 -2.234) 4.106 3.229 ( -4.905 -8.827 7.157) 12.377 3.993 ( 8.434 -10.421 -14.370) 19.653 4.604 ( 5.530 6.265 -1.004) 8.417 5.937 ( 12.762 4.785 -13.064) 18.879 6.066 ( 0.770 -0.392 1.347) 1.600 6.497 ( -5.079 -1.819 2.825) 6.090 6.712 ( 3.640 -0.474 0.687) 3.734 6.974 ( -1.001 5.009 -0.600) 5.143 7.317 ( -7.789 4.265 -0.654) 8.904 7.471 ( -4.315 3.033 1.472) 5.476 7.643 ( 5.427 -1.684 -0.057) 5.682 7.961 ( -6.469 1.338 -3.211) 7.345 8.253 ( 1.803 1.655 7.022) 7.436 8.356 ( 0.368 -5.783 -1.823) 6.074 9.445 ( 0.505 -0.136 -2.431) 2.487 10.062 ( -0.048 -2.032 -5.546) 5.907 10.200 ( 6.056 -2.674 -4.611) 8.068 10.637 ( -5.095 -6.594 15.020) 17.177 11.451 ( 3.806 -6.347 11.398) 13.590 12.156 ( 7.736 16.460 -20.260) 27.226 16.196 ( 1.050 -0.682 -1.515) 1.965 16.290 ( -3.493 -1.540 0.744) 3.889 17.072 ( 2.246 2.290 -1.012) 3.363 17.206 ( -0.646 1.075 -2.177) 2.513 17.505 ( -3.621 -0.472 0.372) 3.670 17.879 ( 4.971 0.397 2.951) 5.795 18.031 ( -2.193 0.405 2.935) 3.686 18.784 ( 1.048 8.739 -7.113) 11.316 ======================= Grid point 187 (91/250) ======================= q-point: (-0.44 0.22 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( -4.304 -0.904 2.587) 5.102 1.464 ( 0.925 11.196 0.798) 11.263 1.803 ( -5.627 2.023 2.567) 6.507 2.043 ( -3.648 6.576 5.130) 9.103 2.111 ( -6.029 -3.756 2.503) 7.532 2.385 ( -3.402 3.032 3.889) 5.991 2.529 ( 3.286 -3.965 2.866) 5.893 3.006 ( 0.333 1.592 -2.542) 3.018 3.391 ( -5.836 -12.156 6.785) 15.095 4.226 ( 12.301 -9.985 -13.134) 20.579 4.541 ( 4.129 6.553 2.762) 8.223 5.865 ( 4.545 7.364 -11.315) 14.245 6.097 ( 1.250 -1.208 0.854) 1.937 6.509 ( -2.887 -2.652 2.283) 4.536 6.733 ( 2.048 0.933 -3.714) 4.343 6.823 ( -3.918 7.108 -3.818) 8.969 7.161 ( -9.946 3.272 3.763) 11.126 7.426 ( 3.410 3.676 3.331) 6.020 7.727 ( 4.589 -2.476 -1.892) 5.547 7.864 ( -4.372 0.253 -4.613) 6.361 8.265 ( 0.030 2.878 8.709) 9.172 8.454 ( 0.711 -6.667 -3.914) 7.763 9.499 ( 4.421 -3.666 -0.941) 5.820 10.044 ( -2.880 -1.193 -8.668) 9.212 10.257 ( 3.807 -1.159 -5.971) 7.175 10.783 ( -3.203 -6.866 14.515) 16.373 11.643 ( 6.624 3.727 5.073) 9.138 11.827 ( -0.580 10.265 -5.489) 11.655 16.209 ( 0.518 -0.738 -1.688) 1.914 16.321 ( 0.430 -2.729 3.041) 4.108 17.046 ( 0.516 1.760 -1.145) 2.162 17.183 ( -0.092 0.332 0.953) 1.013 17.481 ( -3.594 -0.672 0.424) 3.680 17.932 ( 3.393 0.992 0.811) 3.626 17.964 ( -4.800 2.411 -1.550) 5.591 18.614 ( 2.839 9.099 -5.297) 10.905 ======================= Grid point 188 (92/250) ======================= q-point: (-0.33 0.22 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( -1.581 4.359 4.958) 6.788 1.266 ( -0.780 12.299 -0.799) 12.350 1.719 ( -9.489 -1.140 1.763) 9.719 1.915 ( -4.736 3.887 2.134) 6.488 2.123 ( -4.476 -2.133 3.479) 6.057 2.358 ( 1.404 1.518 4.279) 4.752 2.665 ( 4.399 -4.988 2.278) 7.030 2.972 ( 1.434 2.229 -1.384) 2.990 3.587 ( -4.098 -13.059 5.835) 14.879 4.345 ( 8.086 7.176 -4.460) 11.695 4.588 ( 7.647 -7.647 -2.993) 11.221 5.679 ( -3.090 8.721 -11.682) 14.902 6.132 ( -1.265 -2.348 0.251) 2.679 6.539 ( -1.173 -1.997 0.246) 2.329 6.637 ( -1.371 5.163 -5.334) 7.549 6.732 ( 2.506 1.677 -1.566) 3.397 7.026 ( -9.794 3.489 5.881) 11.945 7.425 ( 5.009 4.120 5.812) 8.708 7.789 ( 4.587 0.159 -3.359) 5.688 7.844 ( 1.271 -2.131 -3.340) 4.160 8.233 ( -3.616 2.375 7.361) 8.538 8.569 ( 1.979 -7.254 -5.428) 9.273 9.635 ( 6.172 -5.427 -0.285) 8.223 9.969 ( -4.495 0.141 -11.011) 11.894 10.273 ( 1.956 0.052 -4.340) 4.761 10.921 ( -2.600 -5.003 11.225) 12.561 11.295 ( 1.674 21.834 -14.240) 26.121 11.953 ( -1.931 -7.107 18.124) 19.563 16.226 ( 1.284 -1.193 -1.359) 2.218 16.406 ( 2.140 -2.848 4.808) 5.984 17.026 ( -1.037 -0.709 0.443) 1.332 17.202 ( 1.849 -0.487 2.006) 2.771 17.454 ( -4.067 -0.607 -0.178) 4.116 17.768 ( -6.424 7.363 -7.357) 12.232 17.990 ( 2.824 -0.256 0.536) 2.886 18.499 ( 4.030 6.501 -0.628) 7.674 ======================= Grid point 189 (93/250) ======================= q-point: (-0.22 0.22 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.041 ( 1.151 11.705 3.305) 12.217 1.089 ( 2.673 5.479 8.477) 10.442 1.648 ( -6.484 1.771 4.473) 8.074 1.856 ( -7.002 -3.891 -2.194) 8.306 2.139 ( 0.081 -0.768 3.501) 3.585 2.377 ( 0.334 -0.303 3.134) 3.166 2.782 ( 4.564 -1.631 -0.092) 4.847 2.962 ( 0.734 -0.498 1.641) 1.866 3.805 ( -1.130 -11.799 4.562) 12.701 4.212 ( -0.155 10.331 2.859) 10.721 4.793 ( 11.092 -5.321 -11.977) 17.170 5.425 ( -7.171 6.536 -11.192) 14.812 6.150 ( -3.595 -2.920 -0.944) 4.726 6.511 ( 2.409 3.354 -4.436) 6.060 6.608 ( -2.961 -3.232 2.735) 5.167 6.757 ( 7.889 0.930 0.489) 7.959 6.896 ( -7.977 3.620 6.387) 10.841 7.435 ( 5.655 4.501 7.478) 10.400 7.804 ( 5.935 2.017 -3.722) 7.290 7.890 ( 2.215 -1.496 -2.344) 3.555 8.184 ( -5.682 1.409 6.741) 8.928 8.681 ( 1.222 -6.721 -8.150) 10.635 9.770 ( 2.925 -2.265 -3.291) 4.952 9.876 ( -2.451 -1.911 -9.128) 9.642 10.243 ( 0.820 3.862 -3.027) 4.975 10.845 ( -0.948 13.371 1.856) 13.533 11.121 ( 2.768 -4.584 -2.974) 6.125 12.076 ( -6.399 -3.309 13.675) 15.456 16.267 ( 2.379 -1.860 -0.928) 3.159 16.473 ( 0.175 -0.649 2.912) 2.988 17.076 ( -0.398 -4.543 3.852) 5.970 17.249 ( 2.364 -1.291 3.456) 4.381 17.406 ( -3.869 1.004 -4.585) 6.083 17.562 ( -2.328 5.708 -3.704) 7.191 17.992 ( 1.179 2.654 -1.542) 3.288 18.477 ( 4.097 1.222 3.670) 5.635 ======================= Grid point 190 (94/250) ======================= q-point: (-0.11 0.22 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( 4.784 6.216 9.828) 12.575 1.103 ( 9.115 5.468 11.907) 15.961 1.591 ( -1.168 2.283 7.782) 8.194 1.864 ( -8.078 -6.868 -3.115) 11.051 2.184 ( 2.030 -1.583 2.095) 3.319 2.392 ( -0.100 -0.067 0.880) 0.888 2.809 ( 1.741 1.154 0.387) 2.124 3.024 ( 0.907 -3.496 2.815) 4.579 3.879 ( -7.380 6.102 4.083) 10.411 4.142 ( 1.373 -5.117 2.780) 5.983 4.777 ( -1.630 5.650 -18.006) 18.942 5.324 ( 6.213 -2.285 -9.814) 11.838 6.159 ( -3.002 -2.575 -1.327) 4.172 6.471 ( -0.656 1.218 -0.097) 1.386 6.647 ( -1.901 -2.292 2.848) 4.120 6.805 ( -4.390 0.692 4.595) 6.393 6.887 ( 13.257 -0.638 5.235) 14.268 7.448 ( 5.923 4.782 7.332) 10.569 7.803 ( 2.370 0.928 -4.814) 5.446 7.918 ( 5.338 1.785 0.201) 5.632 8.127 ( -7.169 1.218 6.810) 9.963 8.737 ( -2.201 -4.891 -10.767) 12.029 9.702 ( -3.420 1.944 -7.444) 8.420 9.931 ( 0.776 -3.240 -3.236) 4.645 10.132 ( 2.182 7.773 -1.975) 8.312 10.733 ( 2.624 2.698 5.364) 6.553 11.249 ( 4.481 -6.080 -3.797) 8.453 12.070 ( -6.996 -0.904 3.301) 7.788 16.318 ( 0.891 -1.863 -1.645) 2.640 16.458 ( -1.144 1.316 -0.569) 1.834 17.125 ( -3.734 -0.200 1.213) 3.931 17.287 ( -2.114 0.626 -3.873) 4.457 17.401 ( 4.682 -5.313 7.815) 10.547 17.531 ( 4.691 -0.340 1.091) 4.828 17.912 ( -0.792 5.174 -1.941) 5.583 18.572 ( 4.254 -4.543 5.072) 8.028 ======================= Grid point 194 (95/250) ======================= q-point: ( 0.33 0.33 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.117 ( -1.761 0.000 6.627) 6.857 1.769 ( 4.707 -0.000 9.667) 10.752 1.818 ( -3.887 0.000 2.756) 4.765 2.156 ( 4.738 -0.000 -0.345) 4.750 2.263 ( -4.178 0.000 -2.607) 4.925 2.314 ( -8.882 0.000 6.873) 11.231 2.713 ( -14.321 0.000 12.609) 19.080 2.854 ( -1.476 0.000 0.063) 1.478 3.151 ( -0.419 0.000 -0.309) 0.521 3.787 ( 8.699 -0.000 -13.997) 16.480 4.724 ( 6.722 -0.000 -3.543) 7.599 6.018 ( 15.605 -0.000 -14.173) 21.080 6.064 ( 0.289 -0.000 1.902) 1.924 6.457 ( -7.360 0.000 0.509) 7.377 6.697 ( 4.182 -0.000 1.294) 4.378 7.056 ( -0.637 0.000 -0.179) 0.662 7.441 ( -17.118 0.000 2.385) 17.284 7.488 ( 6.383 -0.000 -3.719) 7.387 7.625 ( 2.320 -0.000 3.172) 3.930 8.014 ( -8.922 0.000 -4.731) 10.099 8.224 ( 1.840 -0.000 2.424) 3.043 8.279 ( 2.848 -0.000 6.329) 6.941 9.469 ( -3.258 0.000 -4.371) 5.452 10.021 ( 4.228 -0.000 -9.912) 10.776 10.121 ( 1.811 -0.000 5.579) 5.865 10.512 ( -2.082 0.000 15.781) 15.918 11.329 ( 3.856 -0.000 6.981) 7.975 12.467 ( 11.064 -0.000 -24.211) 26.620 16.185 ( 1.758 -0.000 -0.568) 1.847 16.262 ( -4.746 0.000 -0.210) 4.751 17.130 ( 1.582 -0.000 1.091) 1.922 17.228 ( 3.449 -0.000 -8.331) 9.017 17.495 ( -3.948 0.000 0.385) 3.967 17.914 ( 5.833 -0.000 4.365) 7.285 18.006 ( -4.176 0.000 4.965) 6.487 18.949 ( -0.364 0.000 -8.516) 8.524 ======================= Grid point 195 (96/250) ======================= q-point: ( 0.44 0.33 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( -2.871 -1.065 6.027) 6.760 1.753 ( -2.613 4.423 3.195) 6.050 1.831 ( -2.443 -1.037 4.903) 5.576 2.113 ( -8.092 4.012 -1.050) 9.093 2.195 ( -1.012 1.605 -0.435) 1.947 2.300 ( -6.513 -3.402 8.459) 11.204 2.616 ( -2.312 4.767 7.650) 9.305 2.909 ( -3.347 -7.080 0.282) 7.837 3.149 ( -1.183 -1.064 0.544) 1.681 3.899 ( 12.736 -5.982 -10.276) 17.424 4.753 ( 7.702 3.681 -2.203) 8.817 6.051 ( 3.739 2.799 -6.489) 7.995 6.087 ( 5.596 0.474 -4.621) 7.273 6.406 ( -5.879 -2.387 -0.122) 6.346 6.735 ( 2.853 -0.355 -3.625) 4.627 7.004 ( -3.294 2.595 -3.815) 5.669 7.267 ( -12.844 2.219 2.608) 13.293 7.535 ( 5.749 2.394 1.381) 6.379 7.665 ( 2.402 -1.067 1.105) 2.851 7.869 ( -9.583 0.297 -5.874) 11.244 8.268 ( -0.768 -3.304 -0.338) 3.409 8.351 ( 4.052 1.344 8.882) 9.855 9.425 ( -0.824 -0.624 -4.048) 4.178 10.010 ( 0.400 -0.589 -8.210) 8.241 10.178 ( 0.623 -2.419 2.504) 3.537 10.617 ( 2.169 -2.427 16.931) 17.241 11.453 ( 5.119 -4.255 11.549) 13.330 12.373 ( 7.880 9.725 -23.366) 26.508 16.200 ( 0.737 0.356 -0.244) 0.854 16.242 ( -0.651 -1.745 1.047) 2.136 17.138 ( 2.755 1.907 -0.183) 3.356 17.211 ( 1.259 1.322 -5.231) 5.541 17.463 ( -3.212 -0.320 0.550) 3.275 17.950 ( 0.146 1.183 3.784) 3.967 18.004 ( -1.675 -0.819 2.153) 2.848 18.861 ( -0.459 4.171 -10.134) 10.969 ======================= Grid point 196 (97/250) ======================= q-point: (-0.44 -0.67 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( -2.113 -1.454 4.591) 5.259 1.650 ( -0.529 7.003 3.244) 7.736 1.781 ( -7.651 3.886 1.293) 8.678 1.922 ( -16.133 -0.484 -3.236) 16.462 2.152 ( -0.845 2.802 2.240) 3.685 2.356 ( -2.745 -2.651 9.617) 10.347 2.585 ( 3.374 1.631 2.783) 4.669 3.001 ( 1.527 -3.317 -0.647) 3.709 3.191 ( -4.509 -7.045 4.267) 9.390 4.140 ( 15.080 -9.367 -8.104) 19.515 4.731 ( 6.437 7.018 0.627) 9.544 5.952 ( -0.720 6.224 -9.963) 11.770 6.095 ( 0.146 0.148 -1.761) 1.773 6.416 ( -3.628 -4.150 -0.931) 5.590 6.727 ( -0.117 -0.251 -8.846) 8.851 6.871 ( -3.733 5.405 -3.280) 7.342 7.143 ( -7.240 2.603 4.615) 8.971 7.543 ( 3.964 2.959 3.379) 5.991 7.713 ( 2.768 -1.382 -1.354) 3.377 7.801 ( -2.557 -1.990 -2.932) 4.370 8.304 ( -1.552 -2.203 -2.809) 3.892 8.390 ( 1.207 0.352 7.326) 7.433 9.459 ( 2.267 -4.046 -2.103) 5.092 9.973 ( -1.865 0.128 -7.159) 7.399 10.226 ( -0.379 -2.319 0.083) 2.351 10.762 ( 2.506 -2.940 14.386) 14.896 11.670 ( 4.231 -7.172 15.892) 17.941 12.087 ( 4.217 18.477 -21.359) 28.555 16.198 ( 0.178 -0.258 -0.060) 0.319 16.308 ( 3.224 -2.626 3.359) 5.345 17.100 ( 1.458 4.174 -3.632) 5.722 17.194 ( 0.703 0.005 1.250) 1.434 17.442 ( -2.675 -0.213 0.627) 2.756 17.921 ( -6.510 0.357 -2.276) 6.905 17.995 ( 1.914 1.856 2.339) 3.546 18.729 ( 0.772 5.697 -9.343) 10.970 ======================= Grid point 197 (98/250) ======================= q-point: (-0.33 -0.67 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( 2.205 -0.608 3.896) 4.517 1.489 ( -1.877 13.234 -0.152) 13.368 1.605 ( -11.167 0.475 2.173) 11.386 1.809 ( -11.844 -2.879 -3.612) 12.713 2.114 ( -2.768 0.630 3.792) 4.737 2.391 ( -1.261 0.247 6.765) 6.886 2.661 ( 4.791 -3.216 3.690) 6.850 3.022 ( 2.636 2.079 -2.480) 4.173 3.357 ( -2.938 -12.813 7.348) 15.060 4.429 ( 16.280 -7.527 -9.051) 20.090 4.649 ( 2.056 7.410 4.691) 9.008 5.731 ( -5.619 9.308 -13.660) 17.459 6.079 ( -2.960 -1.064 -0.916) 3.276 6.454 ( -2.654 -4.382 -1.024) 5.224 6.646 ( -3.592 1.879 -10.074) 10.859 6.788 ( 1.947 1.948 0.283) 2.768 7.049 ( -3.705 4.323 5.801) 8.128 7.554 ( 3.429 2.266 4.276) 5.931 7.764 ( 2.515 -1.653 -2.090) 3.664 7.830 ( 1.118 -2.910 -1.942) 3.673 8.282 ( 0.558 2.722 0.267) 2.792 8.453 ( -1.024 -5.150 0.223) 5.256 9.577 ( 3.607 -6.333 -1.048) 7.363 9.901 ( -3.275 1.483 -6.815) 7.705 10.257 ( -0.104 -1.694 -0.275) 1.720 10.894 ( 1.925 -3.276 10.363) 11.038 11.649 ( 2.662 23.744 -18.511) 30.224 11.897 ( -1.182 -6.677 17.583) 18.845 16.216 ( 1.138 -0.919 0.344) 1.503 16.415 ( 4.212 -2.531 5.081) 7.069 17.025 ( -1.046 2.157 -1.613) 2.889 17.227 ( 2.582 -0.550 2.519) 3.649 17.415 ( -2.524 0.332 -0.322) 2.566 17.775 ( -6.987 4.808 -6.485) 10.676 18.016 ( 1.679 -0.336 1.931) 2.581 18.607 ( 0.982 5.068 -6.735) 8.486 ======================= Grid point 198 (99/250) ======================= q-point: (-0.22 0.33 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( 0.827 7.305 4.169) 8.452 1.283 ( 5.280 4.479 3.618) 7.812 1.544 ( -7.513 -2.830 0.827) 8.071 1.722 ( -9.517 -1.427 -2.461) 9.933 2.112 ( -3.515 -2.062 3.806) 5.576 2.400 ( -0.548 0.416 4.901) 4.949 2.792 ( 4.575 -3.587 3.391) 6.730 2.981 ( -0.417 2.318 -1.902) 3.028 3.615 ( 1.633 -13.262 7.088) 15.125 4.402 ( -2.387 11.813 0.529) 12.063 4.780 ( 14.489 -6.877 -5.823) 17.062 5.417 ( -8.995 9.107 -14.641) 19.448 6.078 ( -1.309 -1.911 -0.558) 2.383 6.502 ( -1.353 -2.928 -1.547) 3.578 6.546 ( -4.021 -0.238 -4.014) 5.686 6.798 ( -0.058 -0.042 2.661) 2.662 6.992 ( 4.801 4.676 4.830) 8.261 7.568 ( 2.194 1.935 4.456) 5.330 7.789 ( 1.088 -0.860 -3.193) 3.481 7.886 ( -0.694 -3.125 -1.295) 3.453 8.245 ( 3.660 4.674 3.233) 6.759 8.532 ( -1.912 -6.672 -6.051) 9.208 9.715 ( 1.189 -4.929 -1.548) 5.301 9.809 ( -1.446 0.787 -5.954) 6.178 10.280 ( 1.415 -0.196 -0.459) 1.501 11.009 ( 1.779 -2.144 8.614) 9.053 11.202 ( 2.014 19.030 -13.452) 23.391 12.019 ( -5.959 -2.945 13.438) 14.992 16.253 ( 1.235 -1.505 0.309) 1.971 16.492 ( 1.638 0.182 3.010) 3.432 17.022 ( -0.388 -2.737 2.806) 3.938 17.270 ( 0.288 0.240 3.932) 3.949 17.384 ( 0.877 0.206 -3.667) 3.775 17.608 ( -2.578 4.322 -4.224) 6.571 18.034 ( 0.660 1.098 0.430) 1.351 18.524 ( -0.036 1.736 -4.009) 4.369 ======================= Grid point 199 (100/250) ======================= q-point: (-0.11 0.33 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( 4.250 5.335 8.500) 10.898 1.349 ( 11.815 4.654 7.938) 14.976 1.561 ( -3.459 -5.736 -0.498) 6.716 1.659 ( -8.368 -3.631 -0.660) 9.146 2.143 ( -3.262 -3.582 3.284) 5.853 2.412 ( 0.254 0.238 3.735) 3.751 2.851 ( 0.485 2.443 0.088) 2.492 2.970 ( -0.931 -3.898 1.350) 4.229 3.866 ( 1.593 -6.434 5.006) 8.306 4.151 ( -7.300 8.009 2.987) 11.241 4.825 ( 0.612 9.351 -16.981) 19.395 5.282 ( 6.942 -5.462 -8.134) 12.008 6.104 ( 0.220 -1.403 -0.789) 1.625 6.459 ( -3.228 0.086 -0.745) 3.314 6.598 ( -0.043 -4.287 2.455) 4.940 6.792 ( -3.130 0.424 5.248) 6.125 7.047 ( 11.949 1.255 3.003) 12.385 7.562 ( -0.546 1.575 1.794) 2.449 7.801 ( 3.195 0.635 -1.083) 3.433 7.896 ( -6.868 -3.354 -1.605) 7.810 8.225 ( 6.013 5.674 5.267) 9.803 8.572 ( -3.571 -5.073 -10.191) 11.931 9.655 ( -6.115 1.905 -3.912) 7.505 9.888 ( 5.670 -3.881 -2.266) 7.235 10.265 ( 3.295 4.262 -3.952) 6.682 10.888 ( 0.223 11.190 7.584) 13.520 11.177 ( 6.009 -6.792 -5.156) 10.432 12.003 ( -8.525 0.240 5.739) 10.280 16.285 ( -0.324 -1.333 -1.012) 1.705 16.473 ( -1.264 1.995 -0.262) 2.376 17.089 ( -2.104 -1.856 3.475) 4.466 17.239 ( -3.351 -0.081 0.129) 3.355 17.426 ( 4.500 -0.973 1.576) 4.867 17.588 ( 6.934 -1.111 0.669) 7.054 17.979 ( -1.304 4.433 -0.772) 4.685 18.531 ( 0.149 -4.105 -1.711) 4.450 ======================= Grid point 204 (101/250) ======================= q-point: (-0.56 -0.56 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( -3.335 0.000 6.779) 7.555 1.765 ( -4.671 0.000 3.197) 5.660 1.765 ( -10.374 0.000 0.722) 10.400 2.066 ( -9.550 0.000 -1.111) 9.615 2.167 ( -2.408 0.000 -2.194) 3.258 2.301 ( 0.138 -0.000 14.463) 14.463 2.713 ( 0.615 -0.000 12.703) 12.718 2.763 ( -4.667 0.000 -7.136) 8.527 3.132 ( -0.646 0.000 -1.421) 1.561 3.959 ( 15.836 -0.000 -6.320) 17.051 4.862 ( 8.635 -0.000 -1.687) 8.799 6.058 ( -3.201 0.000 0.631) 3.262 6.130 ( 5.885 -0.000 -11.406) 12.834 6.311 ( -5.915 0.000 -2.613) 6.466 6.714 ( -0.800 0.000 -9.440) 9.474 6.979 ( -2.707 0.000 -4.002) 4.832 7.185 ( -8.035 0.000 3.259) 8.671 7.646 ( 6.880 -0.000 1.404) 7.022 7.659 ( -1.764 0.000 2.434) 3.006 7.759 ( -4.791 0.000 -4.599) 6.641 8.223 ( -2.175 0.000 -0.689) 2.282 8.435 ( 2.141 -0.000 6.904) 7.229 9.386 ( -0.653 0.000 -3.769) 3.825 9.977 ( 0.068 -0.000 -5.906) 5.907 10.169 ( -1.444 0.000 4.576) 4.799 10.717 ( 4.951 -0.000 16.745) 17.462 11.523 ( 5.559 -0.000 12.496) 13.677 12.430 ( 7.342 -0.000 -24.678) 25.747 16.207 ( -0.627 0.000 1.282) 1.427 16.246 ( 3.531 -0.000 1.762) 3.946 17.179 ( 1.793 -0.000 1.820) 2.555 17.222 ( 2.743 -0.000 -7.647) 8.125 17.435 ( -2.126 0.000 0.530) 2.191 17.906 ( -7.826 0.000 0.625) 7.851 18.037 ( 1.901 -0.000 3.753) 4.207 18.836 ( -0.713 0.000 -12.520) 12.540 ======================= Grid point 205 (102/250) ======================= q-point: (-0.44 -0.56 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.127 ( -2.628 -1.328 5.852) 6.551 1.644 ( -13.041 -0.965 -0.037) 13.077 1.708 ( -9.794 0.160 0.482) 9.807 1.907 ( -3.609 8.826 1.051) 9.593 2.128 ( -5.507 -0.686 -3.079) 6.346 2.387 ( 1.581 -0.234 14.675) 14.762 2.632 ( -1.423 2.051 -2.603) 3.607 2.900 ( 1.022 -9.476 7.671) 12.235 3.117 ( -0.937 0.098 -1.943) 2.159 4.154 ( 17.152 -5.041 -3.711) 18.258 4.901 ( 6.256 4.416 -0.207) 7.660 5.984 ( -3.889 4.071 -4.770) 7.379 6.082 ( -1.797 1.663 -7.517) 7.905 6.290 ( -3.602 -4.518 -4.273) 7.187 6.644 ( -3.653 -0.740 -12.871) 13.400 6.903 ( -2.943 3.021 -2.260) 4.784 7.145 ( -1.949 1.015 3.921) 4.495 7.611 ( -0.436 1.857 0.408) 1.951 7.715 ( -0.759 -3.018 -1.855) 3.623 7.764 ( 5.250 0.730 2.988) 6.084 8.219 ( -1.988 -2.994 -2.302) 4.268 8.450 ( -0.721 1.681 3.734) 4.157 9.403 ( 1.463 -3.011 -1.390) 3.625 9.948 ( -0.612 0.983 -3.262) 3.461 10.184 ( -2.192 -1.735 3.418) 4.416 10.838 ( 3.831 -0.255 13.885) 14.406 11.676 ( 3.923 -4.467 14.635) 15.797 12.297 ( 6.413 10.755 -24.435) 27.456 16.213 ( 1.465 0.656 2.280) 2.788 16.320 ( 4.250 -2.405 3.774) 6.172 17.170 ( 1.114 4.258 -5.864) 7.332 17.210 ( 1.750 -0.313 1.816) 2.541 17.423 ( -1.057 -0.096 0.432) 1.146 17.828 ( -8.402 -0.864 -2.084) 8.699 18.041 ( -1.095 1.316 1.623) 2.359 18.755 ( 0.749 2.605 -12.303) 12.598 ======================= Grid point 206 (103/250) ======================= q-point: (-0.33 -0.56 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( -1.813 -3.923 3.238) 5.400 1.516 ( -16.925 3.134 -4.173) 17.712 1.555 ( -8.477 -0.385 3.111) 9.038 1.764 ( 2.922 8.085 1.421) 8.713 2.065 ( -7.190 -1.268 -0.469) 7.316 2.429 ( -1.108 1.558 7.986) 8.211 2.654 ( 2.281 -3.644 1.788) 4.656 3.076 ( 2.336 2.257 -3.034) 4.445 3.153 ( -0.160 -12.504 9.748) 15.855 4.435 ( 17.768 -7.795 -3.207) 19.666 4.822 ( -0.402 8.518 1.790) 8.714 5.770 ( -6.066 9.441 -14.376) 18.237 6.031 ( -1.860 -0.816 -1.473) 2.509 6.330 ( -2.483 -5.581 -3.769) 7.178 6.554 ( -5.133 -0.616 -12.237) 13.285 6.833 ( -1.095 1.994 1.416) 2.680 7.130 ( 2.066 2.696 3.726) 5.042 7.591 ( -1.519 0.061 0.415) 1.576 7.741 ( -1.794 -2.176 -2.036) 3.479 7.826 ( 5.579 0.434 3.671) 6.693 8.273 ( 1.676 -5.165 -4.463) 7.029 8.412 ( -1.764 2.095 1.706) 3.227 9.499 ( 2.836 -5.579 -0.381) 6.270 9.893 ( -1.581 2.701 -1.811) 3.616 10.216 ( -1.427 -2.572 2.586) 3.916 10.925 ( 1.817 -0.799 8.670) 8.895 11.854 ( -1.738 -4.811 15.417) 16.243 11.984 ( 6.118 19.142 -21.045) 29.099 16.232 ( 2.040 0.511 2.529) 3.289 16.442 ( 5.043 -2.977 5.776) 8.225 17.061 ( -1.518 4.517 -3.481) 5.901 17.254 ( 2.810 -0.882 2.545) 3.892 17.409 ( -0.654 0.903 -0.419) 1.191 17.729 ( -7.391 1.271 -4.984) 9.004 18.015 ( -2.134 -0.712 0.279) 2.267 18.652 ( 0.658 4.404 -10.464) 11.372 ======================= Grid point 207 (104/250) ======================= q-point: (-0.22 -0.56 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.213 ( -12.675 -4.840 -0.154) 13.569 1.331 ( -0.616 0.620 -0.033) 0.874 1.537 ( -1.050 -0.837 5.666) 5.823 1.655 ( -0.237 6.560 -1.171) 6.668 2.034 ( -6.389 -2.620 2.869) 7.477 2.416 ( -1.767 0.618 3.988) 4.405 2.770 ( 2.266 -4.871 3.415) 6.366 3.012 ( -1.423 3.431 -2.984) 4.764 3.453 ( 5.024 -13.171 9.272) 16.873 4.562 ( -3.954 10.423 -2.380) 11.399 4.799 ( 14.712 -6.931 1.068) 16.298 5.431 ( -8.822 11.413 -17.611) 22.765 6.057 ( 2.896 -1.346 0.354) 3.213 6.401 ( -1.041 -6.298 -2.117) 6.725 6.459 ( -5.350 -0.413 -8.109) 9.723 6.816 ( -1.030 0.779 4.496) 4.678 7.134 ( 5.605 2.706 1.830) 6.488 7.567 ( -5.032 -0.885 -0.490) 5.133 7.746 ( -2.420 -2.262 -1.890) 3.814 7.878 ( 3.597 1.255 4.015) 5.534 8.348 ( -8.312 -4.418 -1.948) 9.613 8.398 ( 11.987 1.002 -4.023) 12.684 9.626 ( 1.311 -5.524 -2.060) 6.039 9.822 ( 0.688 2.705 -0.453) 2.828 10.265 ( -0.060 -2.553 2.023) 3.258 10.990 ( 0.822 -2.922 1.319) 3.309 11.551 ( 0.569 22.594 -8.713) 24.223 11.977 ( -3.285 -2.221 10.510) 11.233 16.256 ( 1.399 0.122 1.975) 2.424 16.533 ( 1.924 0.447 3.244) 3.798 17.001 ( -0.467 -0.417 1.585) 1.704 17.300 ( -0.357 1.106 4.131) 4.291 17.389 ( 2.898 -0.317 -3.266) 4.378 17.618 ( -2.741 1.861 -3.325) 4.693 18.027 ( -1.712 -2.239 0.009) 2.818 18.522 ( -2.162 4.055 -9.265) 10.342 ======================= Grid point 208 (105/250) ======================= q-point: (-0.11 -0.56 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( -7.010 -5.920 3.512) 9.824 1.420 ( 0.345 -7.333 1.185) 7.436 1.517 ( -1.409 6.537 -1.755) 6.914 1.619 ( 7.853 -0.009 7.621) 10.943 2.046 ( -5.534 -3.731 4.752) 8.193 2.414 ( -1.853 -0.788 2.760) 3.416 2.882 ( -1.363 -4.790 0.049) 4.981 2.907 ( -1.433 4.353 -0.544) 4.615 3.771 ( 6.506 -11.545 6.821) 14.904 4.255 ( -11.324 12.985 1.255) 17.275 4.950 ( 2.414 11.128 -14.949) 18.792 5.214 ( 7.632 -7.041 -6.371) 12.182 6.107 ( 3.044 0.081 -0.521) 3.089 6.410 ( -2.226 -1.696 -1.567) 3.207 6.510 ( 0.834 -6.847 0.102) 6.899 6.806 ( -2.565 1.298 6.051) 6.699 7.174 ( 7.277 0.539 -0.431) 7.309 7.516 ( -7.510 -1.576 -1.733) 7.867 7.744 ( -4.560 -2.134 -2.246) 5.513 7.902 ( 4.245 2.347 5.311) 7.193 8.303 ( -8.238 -2.187 -1.389) 8.635 8.491 ( 11.074 1.023 -6.623) 12.944 9.613 ( -5.324 1.641 -2.643) 6.167 9.896 ( 9.920 -3.492 -1.198) 10.585 10.301 ( 0.445 -0.392 -1.598) 1.705 11.071 ( 2.812 -6.094 -10.466) 12.433 11.185 ( -1.494 16.943 10.706) 20.097 11.966 ( -6.773 1.669 6.629) 9.623 16.268 ( 0.034 0.100 0.215) 0.240 16.496 ( -2.205 2.856 -0.581) 3.655 17.054 ( -0.397 -2.403 4.536) 5.149 17.234 ( -2.986 2.932 0.165) 4.188 17.456 ( 3.818 -1.272 1.057) 4.161 17.630 ( 6.517 -2.611 0.889) 7.077 18.022 ( -1.907 1.707 0.205) 2.567 18.424 ( -3.883 -2.348 -8.271) 9.434 ======================= Grid point 214 (106/250) ======================= q-point: (-0.44 -0.44 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( -5.564 0.000 6.071) 8.235 1.449 ( -17.674 0.000 -2.881) 17.907 1.647 ( -6.433 0.000 1.781) 6.675 1.991 ( 1.423 -0.000 2.511) 2.886 2.021 ( -9.742 0.000 -4.293) 10.646 2.471 ( 1.199 -0.000 13.160) 13.214 2.586 ( -3.779 0.000 -6.389) 7.423 2.873 ( 2.186 -0.000 12.460) 12.651 3.118 ( 2.427 -0.000 -2.955) 3.824 4.281 ( 17.817 -0.000 -0.465) 17.823 4.987 ( 2.054 -0.000 -0.368) 2.087 5.977 ( -2.278 0.000 0.222) 2.289 6.024 ( -5.280 0.000 -14.247) 15.194 6.181 ( -2.263 0.000 -5.875) 6.296 6.532 ( -4.269 0.000 -14.696) 15.303 6.884 ( -3.801 0.000 -0.585) 3.846 7.172 ( 1.955 -0.000 2.547) 3.211 7.600 ( -5.943 0.000 2.604) 6.488 7.689 ( 3.877 -0.000 -4.184) 5.705 7.852 ( 5.282 -0.000 5.330) 7.504 8.157 ( -2.333 0.000 -1.338) 2.689 8.456 ( -1.306 0.000 -1.193) 1.769 9.393 ( 2.230 -0.000 0.753) 2.354 9.953 ( 0.420 -0.000 0.023) 0.421 10.157 ( -3.134 0.000 4.142) 5.194 10.926 ( 1.648 -0.000 11.058) 11.180 11.734 ( 2.523 -0.000 13.714) 13.945 12.356 ( 8.019 -0.000 -25.110) 26.360 16.270 ( 3.905 -0.000 5.406) 6.669 16.352 ( 3.978 -0.000 4.220) 5.799 17.193 ( 0.159 -0.000 -5.957) 5.959 17.235 ( 2.009 -0.000 1.906) 2.769 17.418 ( 0.266 -0.000 -0.771) 0.815 17.715 ( -9.444 0.000 -1.789) 9.612 18.018 ( -5.322 0.000 -2.251) 5.779 18.743 ( 3.414 -0.000 -11.824) 12.307 ======================= Grid point 215 (107/250) ======================= q-point: (-0.33 -0.44 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( -10.821 -2.134 4.466) 11.899 1.276 ( -18.575 -3.148 -3.607) 19.182 1.586 ( -0.187 3.453 3.068) 4.623 1.890 ( -10.386 0.380 -2.603) 10.714 1.983 ( 2.418 3.681 1.656) 4.706 2.467 ( -3.317 1.523 2.608) 4.486 2.616 ( 2.340 -3.324 3.529) 5.383 2.999 ( -2.200 -6.196 7.571) 10.027 3.153 ( 7.601 -0.538 1.540) 7.774 4.505 ( 17.558 -4.283 0.670) 18.086 4.924 ( -4.877 5.322 0.282) 7.225 5.794 ( -7.352 8.102 -16.039) 19.415 6.009 ( 2.870 -1.608 -0.091) 3.291 6.191 ( -0.737 -4.880 -6.090) 7.839 6.432 ( -4.040 -0.855 -13.919) 14.518 6.846 ( -2.449 0.741 2.692) 3.714 7.195 ( 2.220 0.761 0.770) 2.470 7.544 ( -7.548 -0.164 2.251) 7.878 7.702 ( 0.074 -0.501 -3.215) 3.254 7.916 ( 4.437 0.810 5.557) 7.157 8.169 ( -1.733 -3.443 -1.003) 3.983 8.442 ( 3.584 0.294 -4.010) 5.386 9.450 ( 2.499 -3.151 0.745) 4.090 9.939 ( 0.507 2.789 2.002) 3.470 10.166 ( -2.508 -2.379 4.103) 5.366 10.960 ( -1.271 0.364 4.705) 4.887 11.833 ( -1.467 -2.812 13.151) 13.528 12.232 ( 8.199 11.365 -21.950) 26.042 16.309 ( 3.964 2.833 5.706) 7.503 16.462 ( 4.747 -3.731 6.501) 8.873 17.110 ( -2.080 4.905 -4.405) 6.913 17.275 ( 2.270 -1.069 2.236) 3.361 17.418 ( 0.579 0.181 -2.312) 2.391 17.631 ( -7.493 -1.273 -2.106) 7.887 17.936 ( -7.326 -1.320 -5.457) 9.230 18.704 ( 4.095 4.166 -9.845) 11.448 ======================= Grid point 216 (108/250) ======================= q-point: (-0.22 -0.44 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( -16.053 -3.644 2.476) 16.647 1.169 ( -13.574 -6.553 -1.764) 15.176 1.595 ( 4.126 0.035 6.097) 7.362 1.769 ( -5.472 3.503 -0.496) 6.516 1.965 ( 1.512 1.182 1.715) 2.574 2.422 ( -2.472 1.145 1.432) 3.078 2.714 ( 0.837 -4.165 2.238) 4.801 3.026 ( -2.124 0.763 -0.579) 2.330 3.365 ( 8.527 -9.372 9.373) 15.760 4.651 ( -4.598 6.626 -4.512) 9.242 4.854 ( 11.867 -4.230 5.871) 13.899 5.465 ( -7.685 11.188 -18.714) 23.118 6.092 ( 6.995 -1.103 0.673) 7.113 6.262 ( 0.081 -6.292 -4.875) 7.960 6.362 ( -2.440 -1.531 -9.640) 10.061 6.836 ( -1.788 0.362 5.466) 5.762 7.199 ( 1.432 0.622 -1.113) 1.918 7.461 ( -10.923 -0.581 0.642) 10.958 7.696 ( -1.890 -1.592 -2.164) 3.285 7.966 ( 3.453 1.185 6.039) 7.056 8.180 ( -6.078 -2.796 -2.132) 7.022 8.517 ( 13.066 -0.731 -5.016) 14.015 9.542 ( 1.488 -4.538 -2.400) 5.345 9.903 ( 2.617 3.444 3.495) 5.561 10.216 ( -1.509 -3.388 3.622) 5.184 10.940 ( -3.145 -0.993 -4.097) 5.259 11.816 ( -7.872 9.472 4.436) 13.091 12.031 ( 7.120 7.817 -4.674) 11.561 16.315 ( 2.511 2.918 4.551) 5.961 16.568 ( 1.149 -0.094 3.422) 3.611 17.012 ( -0.465 1.608 0.794) 1.853 17.333 ( 0.924 -0.141 4.446) 4.543 17.394 ( 1.101 0.067 -4.375) 4.512 17.589 ( -2.162 -0.899 -1.022) 2.555 17.900 ( -6.208 -5.841 -6.122) 10.495 18.576 ( 0.078 8.325 -8.388) 11.818 ======================= Grid point 217 (109/250) ======================= q-point: (-0.11 -0.44 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( -12.312 -8.347 1.871) 14.992 1.221 ( -7.510 -10.850 2.319) 13.397 1.630 ( -4.882 2.279 2.496) 5.938 1.727 ( 8.205 0.382 6.989) 10.785 1.989 ( 1.937 -0.711 2.571) 3.296 2.388 ( -2.944 0.305 1.087) 3.153 2.786 ( -1.422 -3.761 -1.695) 4.364 2.965 ( -1.195 3.525 0.477) 3.752 3.677 ( 8.022 -11.431 7.756) 15.974 4.360 ( -11.645 12.268 -0.669) 16.928 5.104 ( -3.564 13.257 -17.637) 22.349 5.155 ( 14.432 -9.085 0.431) 17.059 6.152 ( 3.839 0.982 -2.150) 4.508 6.355 ( 2.705 -3.587 -0.783) 4.560 6.389 ( 1.370 -6.906 -3.916) 8.056 6.830 ( -2.782 1.164 6.935) 7.562 7.203 ( 1.122 -0.803 -2.794) 3.116 7.361 ( -12.945 -2.363 -0.109) 13.159 7.693 ( -2.335 -1.517 -2.062) 3.464 8.006 ( 3.834 1.615 6.313) 7.561 8.137 ( -7.585 -2.331 -2.973) 8.474 8.633 ( 13.373 1.717 -5.774) 14.667 9.576 ( -0.951 -0.490 -3.868) 4.014 9.957 ( 9.906 -1.448 0.795) 10.043 10.265 ( -1.971 -2.312 1.200) 3.266 10.918 ( -2.744 -5.326 -11.865) 13.292 11.492 ( -7.849 16.964 8.305) 20.453 11.999 ( -0.031 3.742 5.520) 6.669 16.299 ( 0.791 2.566 1.832) 3.250 16.517 ( -3.443 3.132 -0.956) 4.752 17.045 ( 1.035 -1.275 4.815) 5.087 17.270 ( -2.446 4.103 -0.252) 4.784 17.466 ( 2.826 -2.527 2.529) 4.557 17.638 ( 5.123 -3.892 1.269) 6.558 17.942 ( -4.003 -7.206 -5.353) 9.829 18.371 ( -4.500 7.004 -7.189) 11.000 ======================= Grid point 224 (110/250) ======================= q-point: (-0.33 -0.33 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.934 ( -15.188 0.000 6.439) 16.497 1.032 ( -19.507 0.000 -2.307) 19.643 1.669 ( 6.217 -0.000 2.685) 6.772 1.690 ( -19.048 0.000 -1.595) 19.114 2.096 ( 6.409 -0.000 0.204) 6.412 2.440 ( -2.604 0.000 -1.183) 2.860 2.638 ( 1.998 -0.000 5.249) 5.616 2.959 ( -1.188 0.000 5.860) 5.979 3.240 ( 8.320 -0.000 4.149) 9.297 4.643 ( 14.232 -0.000 0.346) 14.237 4.908 ( -6.591 0.000 2.068) 6.907 5.704 ( -9.824 0.000 -18.252) 20.728 6.042 ( 6.708 -0.000 -1.694) 6.918 6.141 ( 4.403 -0.000 -3.613) 5.696 6.328 ( -1.873 0.000 -14.302) 14.424 6.840 ( -2.714 0.000 4.624) 5.361 7.210 ( -0.064 0.000 -1.316) 1.318 7.470 ( -9.180 0.000 3.041) 9.671 7.646 ( -7.760 0.000 -2.721) 8.223 7.982 ( 2.556 -0.000 5.204) 5.798 8.148 ( 2.024 -0.000 1.637) 2.603 8.476 ( 8.956 -0.000 -6.344) 10.975 9.448 ( 1.792 -0.000 0.108) 1.795 9.997 ( 2.220 -0.000 3.635) 4.260 10.132 ( -3.170 0.000 5.289) 6.167 10.939 ( -4.734 0.000 -2.391) 5.303 11.844 ( -2.988 0.000 11.188) 11.581 12.327 ( 8.758 -0.000 -19.983) 21.818 16.451 ( 6.356 -0.000 9.159) 11.148 16.473 ( 2.850 -0.000 6.086) 6.721 17.121 ( -2.462 0.000 -3.837) 4.559 17.284 ( 0.597 -0.000 1.261) 1.395 17.389 ( -1.662 0.000 -5.968) 6.195 17.557 ( -3.185 0.000 1.666) 3.595 17.794 ( -9.875 0.000 -9.448) 13.667 18.768 ( 7.053 -0.000 -8.425) 10.987 ======================= Grid point 225 (111/250) ======================= q-point: (-0.22 -0.33 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.802 ( -16.498 -0.371 6.837) 17.863 0.893 ( -16.117 -6.298 2.096) 17.430 1.510 ( -18.808 -3.375 3.251) 19.383 1.772 ( 7.601 -1.046 2.825) 8.176 2.108 ( 7.332 5.576 -1.222) 9.292 2.417 ( -1.204 0.343 -0.577) 1.378 2.682 ( 0.566 -1.490 2.056) 2.602 2.997 ( -0.840 -2.025 2.351) 3.215 3.382 ( 8.714 -3.853 7.771) 12.295 4.659 ( -6.920 3.711 -5.492) 9.582 4.948 ( 10.987 -1.906 7.614) 13.502 5.466 ( -7.155 6.416 -18.569) 20.909 6.106 ( 3.876 -2.951 -7.092) 8.604 6.227 ( 9.385 -1.017 1.467) 9.553 6.278 ( 1.133 -1.661 -10.990) 11.172 6.839 ( -2.926 -0.333 6.689) 7.308 7.192 ( -1.723 -0.028 -1.742) 2.451 7.357 ( -12.188 1.908 1.728) 12.457 7.567 ( -11.233 -4.412 -1.890) 12.215 8.024 ( 1.025 -0.179 5.094) 5.199 8.163 ( 2.355 2.630 1.670) 3.905 8.599 ( 14.908 -2.875 -6.686) 16.590 9.482 ( 1.344 -2.641 -2.849) 4.110 10.010 ( 3.159 2.878 4.610) 6.286 10.158 ( -2.509 -2.983 5.027) 6.361 10.846 ( -6.929 -0.139 -10.822) 12.851 11.836 ( -7.664 1.687 8.647) 11.677 12.246 ( 7.218 8.858 -11.479) 16.196 16.446 ( 2.924 5.412 6.692) 9.090 16.581 ( -0.101 -0.705 3.232) 3.309 17.052 ( 0.449 2.397 1.394) 2.809 17.326 ( -0.554 -4.767 -1.179) 4.941 17.364 ( -0.820 -0.096 -1.231) 1.482 17.557 ( -0.045 -0.600 0.993) 1.161 17.686 ( -8.180 -4.396 -10.043) 13.678 18.722 ( 4.321 8.927 -7.129) 12.214 ======================= Grid point 226 (112/250) ======================= q-point: (-0.11 -0.33 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.708 ( -13.219 -4.560 6.081) 15.248 0.951 ( -9.002 -11.787 6.710) 16.278 1.456 ( -16.454 -8.161 8.459) 20.221 1.877 ( 8.547 0.988 3.933) 9.460 2.079 ( 7.157 4.453 -1.663) 8.591 2.388 ( -0.973 1.635 -0.125) 1.907 2.717 ( -0.241 -2.251 -1.498) 2.714 3.002 ( -0.756 1.454 1.233) 2.051 3.618 ( 7.942 -8.642 7.719) 14.048 4.429 ( -10.041 9.147 -2.370) 13.788 5.099 ( 1.041 1.113 -10.502) 10.612 5.262 ( 7.848 2.397 -4.311) 9.270 6.160 ( 3.886 -2.575 -7.092) 8.487 6.292 ( 2.569 -3.011 -6.522) 7.629 6.368 ( 8.953 -1.864 2.555) 9.495 6.846 ( -3.344 0.147 8.151) 8.811 7.169 ( -2.410 -1.032 -2.555) 3.661 7.200 ( -14.014 0.245 2.167) 14.183 7.550 ( -9.259 -6.446 -1.778) 11.421 8.060 ( -0.347 -1.018 3.736) 3.888 8.127 ( 2.358 4.436 1.586) 5.268 8.757 ( 13.735 -0.029 -7.443) 15.622 9.540 ( 3.731 -3.078 -5.560) 7.369 10.042 ( 6.572 0.300 1.929) 6.856 10.203 ( -3.045 -2.800 3.228) 5.247 10.731 ( -7.170 -3.024 -15.698) 17.521 11.653 ( -12.526 10.510 6.903) 17.748 12.143 ( 3.903 6.893 2.941) 8.450 16.383 ( -0.509 5.463 1.318) 5.642 16.526 ( -3.608 2.451 0.400) 4.380 17.081 ( 2.952 0.684 5.531) 6.307 17.305 ( -2.260 2.502 -2.319) 4.092 17.450 ( 2.185 -4.294 5.578) 7.371 17.595 ( -1.468 -5.532 -1.786) 5.996 17.709 ( -0.727 -8.331 -8.060) 11.615 18.498 ( -2.458 13.501 -3.150) 14.080 ======================= Grid point 234 (113/250) ======================= q-point: (-0.22 -0.22 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.690 ( -14.201 0.000 11.359) 18.185 0.695 ( -13.301 0.000 9.680) 16.451 1.265 ( -23.247 0.000 7.399) 24.396 1.859 ( 8.292 -0.000 2.039) 8.539 2.231 ( 7.872 -0.000 -3.614) 8.662 2.412 ( 0.272 -0.000 -0.760) 0.807 2.683 ( 0.164 -0.000 1.195) 1.206 2.987 ( 0.474 -0.000 2.988) 3.026 3.466 ( 7.562 -0.000 7.528) 10.670 4.588 ( -8.129 0.000 -5.464) 9.794 5.074 ( 9.470 -0.000 6.378) 11.418 5.364 ( -5.519 0.000 -19.157) 19.937 6.092 ( 5.231 -0.000 -7.401) 9.062 6.242 ( 5.193 -0.000 -10.759) 11.947 6.348 ( 11.708 -0.000 3.170) 12.129 6.829 ( -4.620 0.000 8.501) 9.676 7.159 ( -3.447 0.000 -1.454) 3.741 7.291 ( -9.387 0.000 3.893) 10.163 7.345 ( -17.201 0.000 -2.197) 17.341 8.041 ( -0.929 0.000 3.881) 3.991 8.254 ( 4.674 -0.000 3.762) 6.000 8.693 ( 16.211 -0.000 -7.415) 17.827 9.452 ( 0.636 -0.000 -4.256) 4.303 10.092 ( 3.281 -0.000 2.867) 4.357 10.118 ( -3.696 0.000 6.613) 7.576 10.698 ( -8.965 0.000 -16.790) 19.033 11.813 ( -7.779 0.000 7.114) 10.541 12.334 ( 4.220 -0.000 -10.129) 10.973 16.551 ( -0.880 0.000 4.938) 5.016 16.574 ( -2.582 0.000 -0.602) 2.651 17.115 ( 4.928 -0.000 6.238) 7.950 17.207 ( -3.562 0.000 -5.455) 6.514 17.372 ( 1.403 -0.000 3.197) 3.491 17.510 ( -8.745 0.000 -8.307) 12.062 17.587 ( 2.944 -0.000 0.737) 3.035 18.845 ( 6.948 -0.000 -8.127) 10.692 ======================= Grid point 235 (114/250) ======================= q-point: (-0.11 -0.22 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.593 ( -10.736 1.122 13.126) 16.995 0.737 ( -6.641 -7.761 14.782) 17.968 1.167 ( -18.432 -8.704 14.424) 24.971 1.955 ( 6.324 -1.339 1.609) 6.662 2.238 ( 7.042 5.508 -3.957) 9.777 2.408 ( 0.682 0.697 -1.130) 1.493 2.692 ( 0.643 -0.456 -0.408) 0.888 3.015 ( 0.353 -0.373 2.327) 2.383 3.610 ( 6.145 -4.570 7.104) 10.445 4.448 ( -6.995 4.696 -3.459) 9.108 5.106 ( 0.584 4.325 -10.573) 11.439 5.291 ( 3.287 -3.338 -7.109) 8.514 6.139 ( 7.347 -1.619 -6.096) 9.683 6.281 ( 7.422 -0.736 -7.069) 10.276 6.474 ( 9.827 0.569 3.674) 10.507 6.831 ( -5.615 -1.542 10.591) 12.086 7.066 ( -12.713 2.249 -2.021) 13.068 7.140 ( -6.978 0.358 1.251) 7.098 7.334 ( -6.126 -6.908 3.115) 9.744 8.046 ( -2.037 -0.813 2.376) 3.233 8.254 ( 2.241 5.284 2.889) 6.425 8.848 ( 13.900 -1.511 -8.533) 16.380 9.486 ( 4.462 -4.956 -6.648) 9.416 10.097 ( -0.573 0.567 2.876) 2.987 10.146 ( -1.770 -1.933 2.280) 3.475 10.544 ( -6.368 -1.272 -16.065) 17.328 11.700 ( -10.765 5.968 5.148) 13.342 12.278 ( 0.300 4.469 -1.291) 4.661 16.443 ( -5.852 5.245 -5.335) 9.498 16.539 ( -2.457 1.027 3.539) 4.429 17.195 ( 6.316 3.201 7.566) 10.363 17.234 ( -1.400 -6.182 -4.372) 7.700 17.389 ( -6.285 -0.679 -3.791) 7.371 17.467 ( 2.361 -4.490 4.853) 7.020 17.642 ( 3.904 -2.802 -0.432) 4.824 18.729 ( 1.156 14.345 -4.051) 14.951 ======================= Grid point 244 (115/250) ======================= q-point: (-0.11 -0.11 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.612 ( -5.455 0.000 16.757) 17.623 0.696 ( -4.865 0.000 18.675) 19.299 0.996 ( -10.264 0.000 24.123) 26.216 1.997 ( 3.652 -0.000 0.537) 3.691 2.340 ( 6.311 -0.000 -5.877) 8.624 2.407 ( -0.187 0.000 -2.421) 2.428 2.705 ( 1.969 -0.000 0.810) 2.129 3.028 ( 0.704 -0.000 3.165) 3.243 3.648 ( 2.910 -0.000 6.410) 7.039 4.418 ( -3.718 0.000 -3.518) 5.119 5.149 ( -4.153 0.000 -4.912) 6.432 5.180 ( 4.908 -0.000 -18.705) 19.338 6.199 ( 9.457 -0.000 -2.552) 9.795 6.350 ( 11.574 -0.000 -5.994) 13.034 6.603 ( 9.161 -0.000 4.248) 10.098 6.779 ( -11.116 0.000 13.886) 17.787 6.990 ( -8.020 0.000 -2.289) 8.341 7.012 ( -9.462 0.000 -2.319) 9.742 7.303 ( 3.138 -0.000 10.841) 11.286 8.015 ( -3.728 0.000 1.333) 3.959 8.324 ( -2.399 0.000 0.657) 2.487 8.928 ( 11.600 -0.000 -8.693) 14.496 9.435 ( 3.477 -0.000 -5.453) 6.467 10.081 ( -5.765 0.000 6.047) 8.354 10.113 ( -2.008 0.000 -3.482) 4.020 10.457 ( 3.758 -0.000 -9.088) 9.834 11.671 ( -9.972 0.000 3.247) 10.487 12.282 ( -3.512 0.000 -4.292) 5.545 16.404 ( -4.541 0.000 -6.219) 7.700 16.509 ( -5.013 0.000 0.004) 5.013 17.125 ( -0.965 0.000 -2.990) 3.142 17.309 ( -5.807 0.000 -3.241) 6.650 17.396 ( 10.614 -0.000 9.624) 14.327 17.471 ( 3.608 -0.000 7.486) 8.310 17.652 ( 2.763 -0.000 -0.134) 2.766 18.881 ( 3.095 -0.000 -7.198) 7.836 ======================= Grid point 245 (116/250) ======================= q-point: ( 0.00 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( -0.785 0.000 13.293) 13.316 1.125 ( 1.194 -0.000 15.531) 15.577 1.754 ( 4.237 -0.000 18.763) 19.235 2.042 ( -1.497 0.000 1.009) 1.806 2.210 ( 3.579 -0.000 -7.182) 8.024 2.276 ( 1.214 -0.000 -4.848) 4.998 2.819 ( 5.486 -0.000 0.509) 5.510 3.128 ( 1.567 -0.000 1.304) 2.039 3.792 ( -8.177 0.000 7.748) 11.265 4.169 ( -6.916 0.000 -9.731) 11.938 4.755 ( -9.991 0.000 -3.700) 10.654 4.869 ( 15.729 -0.000 -17.402) 23.457 6.265 ( -1.378 0.000 0.197) 1.392 6.474 ( 6.549 -0.000 -0.267) 6.554 6.739 ( -2.662 0.000 0.518) 2.712 6.828 ( -3.071 0.000 3.509) 4.663 7.101 ( 11.419 -0.000 5.507) 12.678 7.180 ( 7.160 -0.000 10.495) 12.705 7.754 ( 8.206 -0.000 7.903) 11.393 7.884 ( -6.345 0.000 -2.051) 6.668 8.287 ( -7.473 0.000 6.805) 10.107 8.733 ( -0.612 0.000 -9.893) 9.912 9.501 ( 11.459 -0.000 -1.781) 11.597 9.901 ( -3.450 0.000 -7.955) 8.670 10.072 ( -8.921 0.000 4.183) 9.853 10.639 ( 19.464 -0.000 -1.921) 19.558 11.469 ( -8.640 0.000 -1.884) 8.843 11.846 ( -8.593 0.000 -15.897) 18.071 16.321 ( -5.898 0.000 -2.706) 6.489 16.361 ( 7.157 -0.000 -2.325) 7.525 17.070 ( -0.417 0.000 -0.142) 0.440 17.183 ( -2.897 0.000 -0.915) 3.038 17.615 ( 0.955 -0.000 0.329) 1.010 17.646 ( 0.844 -0.000 -1.009) 1.315 17.914 ( 4.597 -0.000 12.751) 13.554 18.843 ( 5.140 -0.000 -3.041) 5.972 ======================= Grid point 246 (117/250) ======================= q-point: ( 0.11 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( 0.684 -0.565 11.472) 11.506 1.251 ( 6.817 -2.023 13.855) 15.573 1.839 ( 3.345 3.063 11.855) 12.693 1.994 ( -4.038 2.986 -2.301) 5.524 2.223 ( 3.406 -0.346 -1.840) 3.886 2.299 ( 3.121 -1.869 -2.424) 4.371 2.861 ( 4.468 1.308 0.289) 4.664 3.137 ( 1.014 1.123 0.334) 1.550 3.757 ( -13.024 -4.641 8.606) 16.286 4.057 ( -9.737 -3.047 -11.105) 15.080 4.598 ( -2.131 5.913 -3.354) 7.124 5.020 ( 14.852 -4.234 -15.326) 21.757 6.219 ( -4.832 1.339 0.886) 5.092 6.518 ( 3.806 0.885 1.316) 4.123 6.715 ( -0.968 0.301 0.199) 1.033 6.848 ( 0.716 -0.674 3.621) 3.752 7.173 ( 11.497 5.132 7.335) 14.571 7.378 ( 6.662 -5.321 5.364) 10.073 7.799 ( -1.425 1.852 0.497) 2.389 7.881 ( 6.324 -1.067 2.702) 6.959 8.247 ( -8.240 -0.703 8.651) 11.968 8.645 ( -3.978 2.242 -9.339) 10.395 9.587 ( 7.594 1.445 -1.981) 7.980 9.851 ( -0.641 -1.442 -8.524) 8.669 10.010 ( -6.897 -1.010 3.523) 7.810 10.798 ( 11.399 0.266 1.749) 11.535 11.350 ( -3.454 3.374 -2.428) 5.404 11.779 ( -3.647 -6.394 -16.561) 18.123 16.264 ( -4.546 -0.904 -2.571) 5.300 16.413 ( 4.713 0.340 -2.268) 5.241 17.075 ( -0.871 -0.712 0.079) 1.128 17.166 ( -0.894 -1.264 -1.767) 2.349 17.602 ( 2.840 1.657 0.575) 3.338 17.673 ( -1.967 -1.928 -1.511) 3.141 17.972 ( 4.182 4.230 12.366) 13.722 18.832 ( 3.809 4.789 -2.481) 6.603 ======================= Grid point 247 (118/250) ======================= q-point: ( 0.22 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( 1.379 -2.495 8.935) 9.379 1.449 ( 10.853 -3.161 12.121) 16.574 1.813 ( -0.878 7.384 0.039) 7.436 1.866 ( -1.549 4.942 4.509) 6.867 2.245 ( 1.281 0.051 -1.093) 1.685 2.372 ( 3.443 -2.290 -0.159) 4.139 2.863 ( 0.989 2.010 0.406) 2.277 3.107 ( -0.118 2.753 -1.207) 3.008 3.771 ( -14.113 -8.637 8.452) 18.580 3.994 ( -9.141 -6.899 -10.653) 15.640 4.488 ( 0.692 4.855 -1.231) 5.056 5.159 ( 15.849 -1.034 -14.160) 21.278 6.151 ( -4.133 1.447 1.732) 4.709 6.541 ( 3.231 1.558 2.161) 4.187 6.709 ( -1.084 -0.543 0.851) 1.481 6.876 ( 2.031 1.224 3.234) 4.011 7.239 ( 11.177 4.866 6.625) 13.874 7.457 ( -2.865 -1.454 -4.511) 5.538 7.826 ( 5.976 -0.770 5.324) 8.040 7.942 ( 0.606 0.465 -0.148) 0.778 8.226 ( -3.486 -0.934 7.374) 8.209 8.508 ( -6.561 2.561 -7.348) 10.178 9.580 ( -1.216 1.530 -1.673) 2.573 9.859 ( 4.333 -1.126 -8.459) 9.571 10.018 ( -0.993 -3.229 1.385) 3.651 10.897 ( 3.758 -1.569 6.577) 7.736 11.295 ( 5.075 2.977 -2.821) 6.525 11.795 ( -3.643 -6.655 -12.302) 14.454 16.230 ( -3.488 -1.220 -2.485) 4.453 16.425 ( 0.999 0.314 -1.655) 1.958 17.072 ( -2.241 -0.975 0.631) 2.524 17.187 ( 0.808 -1.664 -2.349) 2.990 17.610 ( 1.521 2.456 1.134) 3.104 17.669 ( 0.381 -1.389 -1.094) 1.809 17.995 ( 4.754 3.954 10.858) 12.495 18.735 ( 1.176 7.755 -3.850) 8.738 ======================= Grid point 248 (119/250) ======================= q-point: ( 0.33 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( 0.663 -4.001 5.713) 7.006 1.581 ( -5.446 8.038 1.336) 9.800 1.702 ( 13.105 -1.030 5.834) 14.382 1.816 ( 1.585 5.862 8.556) 10.492 2.235 ( -0.813 1.545 0.995) 2.010 2.425 ( 2.215 -0.998 -2.652) 3.597 2.810 ( -5.296 1.749 -0.126) 5.579 3.038 ( -0.493 3.510 -1.754) 3.954 3.834 ( -11.627 -9.978 5.094) 16.146 4.012 ( -5.712 -8.047 -7.635) 12.477 4.438 ( 0.670 1.289 1.119) 1.834 5.254 ( 16.667 2.361 -12.026) 20.688 6.109 ( -1.927 0.651 2.062) 2.896 6.540 ( 2.408 3.081 1.677) 4.254 6.713 ( -0.149 0.645 0.834) 1.065 6.866 ( 0.682 2.769 1.680) 3.309 7.254 ( 3.856 4.757 1.073) 6.217 7.442 ( 1.548 -1.803 -2.793) 3.667 7.802 ( -7.734 4.092 -3.710) 9.504 7.983 ( 2.781 -2.195 9.427) 10.071 8.298 ( 6.859 -2.313 0.072) 7.239 8.363 ( -8.378 2.419 -2.899) 9.190 9.527 ( -5.147 -0.478 -0.421) 5.186 9.886 ( 7.376 0.535 -9.432) 11.986 10.090 ( 1.181 -4.169 -1.508) 4.588 11.004 ( 3.852 -1.979 6.720) 7.995 11.294 ( 5.796 3.056 -0.851) 6.607 11.831 ( -4.897 -7.420 -3.761) 9.653 16.212 ( -2.300 -1.274 -2.124) 3.379 16.420 ( -1.272 -0.753 -0.649) 1.614 17.076 ( -2.591 -1.930 1.140) 3.426 17.204 ( 0.210 -0.453 -1.123) 1.229 17.565 ( -0.606 2.430 1.460) 2.899 17.726 ( 5.029 -1.407 -1.051) 5.327 18.027 ( 3.449 2.525 8.471) 9.488 18.552 ( -1.318 10.331 -6.969) 12.531 ======================= Grid point 249 (120/250) ======================= q-point: (-0.56 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.317 ( -4.045 8.381 2.392) 9.609 1.377 ( -5.677 -0.949 -0.033) 5.756 1.777 ( 3.120 5.481 10.206) 11.997 1.903 ( 12.720 -0.623 6.429) 14.266 2.186 ( -2.547 2.656 3.415) 5.020 2.421 ( -0.169 1.724 -2.762) 3.260 2.708 ( -8.451 -0.170 -3.507) 9.152 2.979 ( 0.109 2.180 -0.480) 2.235 3.914 ( -6.046 -8.189 -0.474) 10.190 4.052 ( -4.195 -4.346 -2.061) 6.382 4.480 ( -0.428 -5.127 1.603) 5.389 5.318 ( 16.058 4.207 -8.342) 18.578 6.106 ( 0.296 -0.223 1.783) 1.821 6.499 ( 2.332 4.902 -1.381) 5.601 6.639 ( 0.339 7.600 -2.081) 7.886 6.846 ( -2.372 -1.448 0.638) 2.852 7.217 ( 1.621 1.981 0.256) 2.572 7.467 ( -1.573 2.121 0.932) 2.800 7.660 ( -3.955 0.234 -1.957) 4.419 8.033 ( -5.618 -0.445 0.609) 5.668 8.256 ( -1.069 2.463 4.976) 5.654 8.419 ( 7.280 -3.194 -3.102) 8.533 9.499 ( -3.025 -1.351 -0.679) 3.382 9.907 ( 6.681 0.304 -9.930) 11.972 10.154 ( 0.471 -3.138 -2.718) 4.178 11.012 ( 7.694 10.002 -6.417) 14.157 11.336 ( -6.521 -7.008 8.504) 12.805 11.944 ( 0.121 -7.924 6.545) 10.278 16.209 ( -1.362 -1.593 -1.982) 2.885 16.431 ( -1.426 -2.304 1.504) 3.099 17.096 ( -2.638 -2.576 1.641) 4.036 17.200 ( -0.517 0.225 0.656) 0.865 17.544 ( 0.438 0.655 1.012) 1.282 17.789 ( 5.027 -0.059 -1.555) 5.262 18.027 ( -2.073 2.953 2.135) 4.193 18.322 ( 0.913 10.168 -5.440) 11.568 ======================= Grid point 250 (121/250) ======================= q-point: (-0.44 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( -6.364 9.820 5.384) 12.881 1.324 ( -7.251 2.363 0.077) 7.626 1.813 ( 5.229 0.599 9.475) 10.839 1.971 ( -0.110 3.972 4.126) 5.728 2.169 ( 4.926 2.982 6.304) 8.538 2.344 ( -4.843 1.426 -0.798) 5.112 2.644 ( -2.082 -1.294 -6.994) 7.411 2.964 ( -0.300 -0.541 0.694) 0.930 3.965 ( 3.982 0.757 -4.039) 5.722 4.077 ( -9.087 -7.468 2.531) 12.031 4.587 ( -1.032 -6.714 -1.540) 6.965 5.371 ( 12.207 3.417 -3.313) 13.102 6.132 ( 2.713 0.106 0.601) 2.780 6.362 ( 0.801 9.086 -10.430) 13.856 6.543 ( 3.634 4.241 2.340) 6.055 6.850 ( -4.691 -2.702 -0.657) 5.453 7.221 ( 2.094 1.082 2.957) 3.781 7.354 ( -6.608 4.428 4.094) 8.946 7.658 ( -1.610 0.578 -0.628) 1.822 7.945 ( -6.240 -1.653 -4.796) 8.042 8.278 ( 2.394 1.760 9.955) 10.389 8.526 ( 6.289 -3.493 -5.904) 9.306 9.499 ( 2.514 0.376 -3.329) 4.189 9.926 ( 2.294 -1.967 -8.715) 9.224 10.186 ( 0.514 -1.523 -2.677) 3.122 10.804 ( 2.301 13.969 -8.769) 16.653 11.430 ( -11.770 -9.728 6.796) 16.714 12.140 ( 4.284 -5.997 11.296) 13.488 16.216 ( -1.345 -1.856 -2.755) 3.584 16.491 ( -0.125 -3.721 5.097) 6.312 17.120 ( -2.189 -2.169 2.159) 3.762 17.205 ( -0.324 -1.073 0.998) 1.501 17.552 ( 0.126 -0.609 0.576) 0.847 17.760 ( -4.385 6.951 -6.631) 10.560 17.882 ( 0.841 4.889 -5.418) 7.346 18.265 ( 5.368 1.206 4.982) 7.423 ======================= Grid point 251 (122/250) ======================= q-point: (-0.33 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.926 ( -5.066 5.903 10.889) 13.382 1.186 ( -7.474 4.369 4.777) 9.888 1.822 ( -4.660 7.823 10.539) 13.928 1.957 ( 2.571 -4.218 2.295) 5.447 2.146 ( 1.355 5.499 3.418) 6.615 2.339 ( 0.690 -2.150 0.126) 2.262 2.631 ( 2.759 -0.310 -6.317) 6.900 2.995 ( 0.311 -2.362 0.927) 2.556 3.943 ( 5.637 5.715 0.105) 8.028 4.151 ( -6.829 -9.267 -0.134) 11.512 4.645 ( -1.168 -3.434 -7.256) 8.112 5.396 ( 2.347 2.871 -0.715) 3.776 6.127 ( 8.550 5.778 -7.665) 12.855 6.234 ( 2.460 1.228 -2.865) 3.971 6.564 ( 6.262 1.213 3.591) 7.320 6.834 ( -6.795 -3.092 -2.044) 7.740 7.222 ( -4.215 1.065 4.364) 6.160 7.249 ( -1.942 5.375 7.973) 9.810 7.572 ( -2.621 3.903 0.391) 4.718 7.958 ( -1.295 -4.627 -4.236) 6.405 8.307 ( 0.331 1.436 9.204) 9.321 8.619 ( 6.024 -3.422 -7.510) 10.218 9.491 ( 6.543 3.580 -7.531) 10.600 9.943 ( -2.087 -3.930 -6.135) 7.579 10.200 ( 1.100 -0.343 -1.966) 2.279 10.551 ( -0.459 11.173 -5.584) 12.499 11.487 ( -12.131 -8.541 3.179) 15.173 12.289 ( 1.535 -1.735 7.536) 7.884 16.222 ( -0.884 -1.896 -3.224) 3.844 16.574 ( -1.743 -2.502 5.618) 6.392 17.171 ( 1.465 -3.891 3.755) 5.602 17.229 ( -0.373 -1.282 0.040) 1.336 17.462 ( -7.284 8.663 -10.806) 15.648 17.589 ( -0.165 -0.427 3.144) 3.177 17.838 ( 3.921 4.151 -2.120) 6.091 18.377 ( 5.161 -4.375 5.845) 8.941 ======================= Grid point 252 (123/250) ======================= q-point: (-0.22 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( -2.489 0.265 15.616) 15.815 1.097 ( -5.308 2.460 11.526) 12.926 1.681 ( -5.092 7.339 14.896) 17.370 2.076 ( 5.143 -2.678 -0.275) 5.804 2.088 ( -1.134 1.079 -0.308) 1.596 2.359 ( 0.296 0.483 -2.639) 2.699 2.666 ( 5.361 -1.283 -2.575) 6.084 3.049 ( 1.498 -2.035 0.952) 2.700 3.897 ( 2.893 5.526 3.721) 7.262 4.240 ( -2.499 -6.274 -1.913) 7.019 4.637 ( -0.569 -3.114 -12.755) 13.142 5.271 ( -6.536 6.857 -5.336) 10.872 6.146 ( 12.100 0.933 -4.136) 12.821 6.278 ( 6.306 -0.609 0.033) 6.335 6.652 ( 6.311 -1.383 4.600) 7.931 6.815 ( -5.173 -3.574 -1.578) 6.482 7.106 ( -13.896 2.678 5.522) 15.191 7.195 ( 3.803 6.835 7.073) 10.546 7.549 ( 5.287 1.806 5.438) 7.797 7.985 ( -3.892 -2.960 -3.426) 5.971 8.325 ( -2.165 -0.276 7.653) 7.958 8.698 ( 5.633 -2.886 -8.682) 10.744 9.439 ( 6.697 5.175 -9.039) 12.383 9.968 ( -2.025 -3.655 -4.115) 5.864 10.194 ( -2.784 0.415 1.610) 3.242 10.403 ( 6.382 5.741 -4.397) 9.645 11.513 ( -10.935 -7.364 0.129) 13.184 12.273 ( -4.998 3.505 -1.044) 6.193 16.241 ( 1.321 -1.782 -2.836) 3.601 16.550 ( -6.241 1.789 0.055) 6.493 17.202 ( -1.182 4.939 -4.524) 6.801 17.257 ( -4.400 0.313 -1.092) 4.544 17.341 ( 6.706 -6.104 6.251) 11.014 17.641 ( 0.942 -2.807 5.358) 6.121 17.781 ( 2.009 4.841 -1.422) 5.431 18.558 ( 5.417 -7.370 3.355) 9.743 ======================= Grid point 253 (124/250) ======================= q-point: (-0.11 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( -1.263 -1.463 15.414) 15.535 1.083 ( -3.234 1.395 15.379) 15.777 1.645 ( 0.887 2.522 19.422) 19.606 2.054 ( -0.180 1.471 1.564) 2.154 2.171 ( 3.793 -3.458 -6.260) 8.095 2.316 ( -0.176 1.694 -5.415) 5.677 2.746 ( 5.756 -1.377 0.149) 5.920 3.097 ( 1.898 -0.859 1.229) 2.419 3.845 ( -2.030 3.497 6.248) 7.443 4.259 ( -3.111 -0.565 -5.616) 6.445 4.680 ( 2.134 -8.308 -13.503) 15.997 5.029 ( -4.961 9.188 -8.954) 13.755 6.238 ( 4.963 -1.021 -0.301) 5.076 6.378 ( 10.072 -0.940 -0.765) 10.145 6.734 ( -1.636 -2.353 2.593) 3.865 6.874 ( 2.608 -2.036 0.688) 3.379 6.955 ( -6.900 0.571 6.626) 9.583 7.158 ( 5.382 6.693 8.736) 12.250 7.635 ( 7.708 0.311 8.287) 11.322 7.952 ( -6.213 -1.029 -2.273) 6.695 8.326 ( -5.620 -0.465 6.036) 8.260 8.747 ( 3.127 -1.912 -9.677) 10.348 9.417 ( 9.332 2.230 -4.752) 10.707 9.964 ( -2.899 -0.914 -5.771) 6.523 10.143 ( -7.870 0.304 4.531) 9.086 10.456 ( 17.799 1.125 -3.945) 18.265 11.517 ( -9.647 -5.607 -2.095) 11.353 12.075 ( -10.264 6.068 -9.581) 15.296 16.288 ( 4.524 -1.529 -2.327) 5.312 16.428 ( -6.389 2.760 -2.772) 7.491 17.101 ( -1.184 2.592 -1.249) 3.112 17.221 ( -3.334 0.053 -0.588) 3.385 17.528 ( 4.463 -4.741 2.793) 7.085 17.702 ( 1.574 4.690 -1.600) 5.199 17.770 ( 3.500 -4.009 11.380) 12.563 18.744 ( 5.616 -5.884 -0.996) 8.194 ======================= Grid point 255 (125/250) ======================= q-point: ( 0.11 0.11 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( 0.361 -0.000 10.124) 10.131 1.381 ( 10.469 -0.000 12.249) 16.114 1.953 ( 3.557 -0.000 6.734) 7.616 1.975 ( -3.616 0.000 -1.746) 4.016 2.243 ( 2.978 -0.000 -1.183) 3.205 2.320 ( 4.833 -0.000 -0.032) 4.833 2.915 ( 3.377 -0.000 -0.529) 3.419 3.154 ( 0.226 -0.000 -0.562) 0.606 3.591 ( -18.534 0.000 10.867) 21.485 3.859 ( -12.129 0.000 -11.353) 16.613 4.609 ( -2.548 0.000 -1.437) 2.925 5.112 ( 22.112 -0.000 -17.538) 28.223 6.179 ( -5.693 0.000 1.876) 5.994 6.569 ( 3.457 -0.000 2.212) 4.104 6.692 ( -2.783 0.000 -1.108) 2.995 6.900 ( 5.148 -0.000 4.687) 6.962 7.375 ( 9.500 -0.000 5.657) 11.056 7.391 ( 3.183 -0.000 0.710) 3.261 7.820 ( 3.432 -0.000 3.077) 4.609 7.947 ( 4.031 -0.000 0.835) 4.117 8.197 ( -7.933 0.000 11.438) 13.920 8.571 ( -6.711 0.000 -8.608) 10.915 9.659 ( 1.526 -0.000 -0.820) 1.732 9.787 ( 1.172 -0.000 -10.111) 10.179 9.971 ( -1.038 0.000 3.309) 3.468 10.858 ( -2.680 0.000 6.517) 7.046 11.329 ( -4.029 0.000 1.198) 4.203 11.691 ( 14.015 -0.000 -25.608) 29.193 16.204 ( -3.320 0.000 -1.985) 3.868 16.438 ( 0.932 -0.000 -2.374) 2.550 17.076 ( 0.815 -0.000 0.631) 1.031 17.132 ( -0.486 0.000 -2.949) 2.988 17.631 ( -1.554 0.000 -0.780) 1.739 17.656 ( 3.943 -0.000 0.718) 4.008 18.087 ( 1.448 -0.000 10.991) 11.086 18.893 ( 2.741 -0.000 -4.783) 5.513 ======================= Grid point 256 (126/250) ======================= q-point: ( 0.22 0.11 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( 0.363 -0.953 8.666) 8.726 1.570 ( 11.896 -2.159 10.829) 16.231 1.888 ( -3.112 4.929 -2.619) 6.390 1.982 ( 3.524 2.782 3.803) 5.884 2.261 ( 1.851 0.562 -0.673) 2.048 2.383 ( 3.844 -1.041 0.905) 4.084 2.909 ( -0.538 2.776 -0.119) 2.830 3.129 ( -1.521 1.445 -2.559) 3.309 3.509 ( -18.264 -6.866 12.600) 23.227 3.737 ( -9.338 -4.970 -10.401) 14.835 4.562 ( 0.647 3.011 -1.397) 3.382 5.273 ( 21.862 -0.571 -16.551) 27.426 6.133 ( -4.122 0.500 2.951) 5.094 6.608 ( 3.163 0.930 2.136) 3.929 6.660 ( -3.732 -1.332 -1.245) 4.154 6.969 ( 5.666 1.656 4.981) 7.724 7.385 ( -2.686 -0.486 -6.536) 7.084 7.451 ( 8.441 3.883 5.315) 10.704 7.907 ( 1.196 1.182 0.211) 1.695 7.929 ( -0.592 -0.400 4.656) 4.711 8.218 ( -0.301 -1.879 9.754) 9.938 8.439 ( -8.191 1.697 -6.434) 10.553 9.588 ( -4.994 3.433 -1.271) 6.192 9.811 ( 4.095 -3.701 -10.396) 11.771 10.016 ( 4.637 -0.687 2.409) 5.270 10.859 ( -7.565 -3.330 10.301) 13.207 11.340 ( 1.149 -2.336 3.395) 4.278 11.735 ( 16.076 1.687 -24.828) 29.626 16.176 ( -1.865 -0.648 -1.642) 2.568 16.415 ( -2.701 0.149 -1.745) 3.219 17.066 ( -0.103 1.360 0.187) 1.376 17.150 ( 1.089 -2.378 -2.503) 3.620 17.611 ( -3.021 -0.367 -0.764) 3.137 17.705 ( 6.716 0.891 1.118) 6.867 18.121 ( 0.259 1.785 9.449) 9.619 18.842 ( 0.964 5.157 -6.401) 8.276 ======================= Grid point 257 (127/250) ======================= q-point: ( 0.33 0.11 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.251 ( -0.500 -1.961 6.438) 6.748 1.698 ( -1.689 8.049 2.254) 8.527 1.804 ( 8.715 -1.879 5.473) 10.461 1.981 ( 5.128 3.886 4.161) 7.663 2.252 ( -0.590 1.211 -0.649) 1.495 2.425 ( 2.254 -0.588 -1.879) 2.993 2.798 ( -8.337 4.699 1.205) 9.646 3.065 ( -1.949 1.954 -2.754) 3.898 3.551 ( -13.997 -10.171 10.608) 20.296 3.761 ( -2.556 -9.702 -9.120) 13.558 4.517 ( 2.563 3.643 0.502) 4.482 5.415 ( 20.017 1.190 -14.625) 24.819 6.109 ( -1.939 0.352 3.557) 4.066 6.600 ( -1.807 0.765 0.101) 1.965 6.673 ( 0.310 -1.764 -0.429) 1.842 6.973 ( 1.624 4.875 1.430) 5.334 7.309 ( -1.067 2.292 -4.449) 5.117 7.505 ( 8.040 1.926 3.011) 8.799 7.746 ( -12.952 3.320 -1.997) 13.519 8.014 ( 0.727 -0.394 2.668) 2.793 8.311 ( 3.050 -2.855 3.572) 5.497 8.326 ( -3.618 1.402 0.815) 3.965 9.484 ( -4.802 1.451 -0.083) 5.017 9.869 ( 4.711 -3.035 -12.863) 14.030 10.087 ( 5.054 -0.581 1.128) 5.211 10.932 ( -6.397 -6.970 13.338) 16.352 11.441 ( 8.705 0.099 0.796) 8.742 11.728 ( 7.838 1.083 -14.796) 16.779 16.170 ( -0.526 -0.788 -1.407) 1.697 16.378 ( -3.735 -0.811 -0.499) 3.854 17.048 ( -0.644 0.292 0.281) 0.761 17.187 ( 0.724 -1.395 -0.967) 1.845 17.574 ( -3.095 0.404 -0.389) 3.145 17.770 ( 7.214 0.506 0.618) 7.258 18.123 ( -1.003 2.048 6.645) 7.026 18.687 ( -0.116 8.966 -7.886) 11.941 ======================= Grid point 258 (128/250) ======================= q-point: ( 0.44 0.11 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( -2.888 -2.030 3.156) 4.735 1.493 ( -2.140 11.906 1.719) 12.218 1.899 ( 0.933 2.276 6.730) 7.165 2.048 ( 9.556 0.229 4.315) 10.487 2.198 ( -3.508 1.107 -0.499) 3.712 2.448 ( 3.223 0.483 -2.257) 3.964 2.619 ( -11.212 3.132 0.936) 11.679 3.003 ( -1.475 1.868 -1.671) 2.908 3.652 ( -10.065 -10.970 6.879) 16.400 3.903 ( 3.194 -9.451 -8.286) 12.969 4.502 ( 2.987 2.330 4.129) 5.604 5.504 ( 16.075 3.340 -11.602) 20.104 6.113 ( -0.128 -0.327 3.531) 3.548 6.562 ( -1.625 1.204 -2.637) 3.323 6.684 ( -0.555 0.685 -2.750) 2.888 6.852 ( -3.315 5.476 -3.459) 7.276 7.271 ( 1.700 2.359 1.970) 3.512 7.520 ( -3.783 4.401 3.133) 6.595 7.616 ( 0.678 -1.399 -1.529) 2.180 7.950 ( -8.773 0.933 -4.646) 9.970 8.335 ( 2.787 1.353 9.297) 9.800 8.397 ( 2.252 -3.527 -1.725) 4.526 9.458 ( -0.582 -1.394 1.060) 1.845 9.885 ( 2.895 -1.407 -14.558) 14.910 10.145 ( 4.058 -0.483 -0.159) 4.090 11.061 ( -5.789 -7.368 13.077) 16.088 11.379 ( 8.147 13.031 -15.652) 21.935 11.852 ( 3.969 -9.164 9.817) 14.004 16.176 ( 0.275 -0.665 -1.534) 1.695 16.378 ( -2.216 -2.606 2.111) 4.020 17.047 ( -1.180 -1.024 0.736) 1.727 17.201 ( -0.281 -0.091 0.914) 0.960 17.541 ( -2.250 -0.138 -0.402) 2.290 17.832 ( 6.115 0.577 -0.614) 6.173 18.062 ( -5.112 4.064 -0.088) 6.531 18.497 ( 2.343 9.207 -5.101) 10.783 ======================= Grid point 259 (129/250) ======================= q-point: (-0.44 0.11 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( -4.221 6.690 3.015) 8.465 1.303 ( -2.442 6.252 2.036) 7.014 1.886 ( -1.467 0.988 6.020) 6.275 2.033 ( -4.068 4.181 0.451) 5.851 2.237 ( 1.575 -3.470 2.005) 4.306 2.378 ( -2.203 6.939 5.006) 8.835 2.575 ( 2.138 -3.138 -4.338) 5.765 2.961 ( -0.999 0.766 -0.423) 1.328 3.781 ( -6.980 -10.952 4.412) 13.716 4.036 ( 7.070 -3.267 -8.263) 11.355 4.538 ( 2.038 -0.720 5.825) 6.213 5.519 ( 8.290 4.444 -7.947) 12.314 6.150 ( 1.551 -1.309 3.251) 3.832 6.454 ( -1.027 6.405 -12.546) 14.124 6.632 ( 1.206 2.203 0.844) 2.650 6.755 ( -5.441 -0.389 -2.654) 6.066 7.253 ( -2.887 1.440 4.398) 5.454 7.431 ( -0.243 4.400 7.159) 8.406 7.667 ( 3.191 0.138 -2.052) 3.796 7.831 ( -5.923 -1.028 -5.921) 8.438 8.365 ( -0.626 1.214 7.279) 7.406 8.479 ( 3.099 -3.837 -1.974) 5.313 9.517 ( 4.851 -1.993 0.050) 5.245 9.854 ( -0.184 -1.019 -13.549) 13.588 10.186 ( 3.145 -0.280 -1.195) 3.376 11.066 ( 4.143 16.400 -9.651) 19.475 11.199 ( -9.453 -6.833 5.576) 12.928 12.114 ( 3.870 -8.188 13.888) 16.580 16.182 ( 0.665 -0.559 -1.893) 2.082 16.446 ( 0.126 -4.127 5.532) 6.903 17.064 ( -1.800 -2.174 1.402) 3.151 17.203 ( 0.010 -0.018 1.679) 1.679 17.523 ( -2.784 -0.763 -1.281) 3.158 17.811 ( -3.542 7.096 -5.903) 9.886 17.920 ( 0.776 2.274 -3.734) 4.441 18.408 ( 5.002 4.797 1.808) 7.163 ======================= Grid point 260 (130/250) ======================= q-point: (-0.33 0.11 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( -0.424 10.028 8.335) 13.046 1.198 ( -4.795 2.922 2.704) 6.232 1.872 ( -8.546 0.696 3.821) 9.387 1.935 ( -1.531 0.569 1.677) 2.341 2.224 ( -4.712 2.325 3.985) 6.595 2.360 ( 4.997 1.111 3.351) 6.118 2.640 ( 6.179 -1.125 -5.001) 8.028 2.964 ( 0.266 -1.699 0.879) 1.931 3.926 ( -4.471 -10.434 3.340) 11.833 4.081 ( 8.350 3.239 -5.414) 10.465 4.592 ( 1.152 -0.895 0.194) 1.471 5.442 ( -2.727 4.379 -5.525) 7.559 6.214 ( 0.340 -2.352 2.725) 3.616 6.290 ( 6.256 6.157 -12.389) 15.183 6.652 ( 4.990 0.698 2.886) 5.807 6.706 ( -6.105 -2.363 -2.312) 6.942 7.182 ( -10.103 1.973 6.296) 12.067 7.415 ( 4.702 5.066 8.405) 10.882 7.642 ( 4.299 3.380 -2.016) 5.829 7.841 ( -1.014 -4.650 -5.159) 7.019 8.354 ( -3.585 0.560 5.659) 6.722 8.568 ( 3.307 -3.717 -3.241) 5.938 9.587 ( 8.179 1.800 -5.962) 10.280 9.820 ( -2.521 -3.506 -7.851) 8.959 10.208 ( 1.802 0.200 -1.130) 2.136 10.754 ( 1.364 14.848 -8.789) 17.308 11.263 ( -8.873 -6.690 6.726) 12.990 12.288 ( -0.906 -3.094 9.335) 9.876 16.198 ( 2.055 -0.741 -1.675) 2.752 16.536 ( -1.420 -2.603 5.426) 6.183 17.118 ( 0.219 -4.662 3.626) 5.910 17.223 ( 1.456 -0.650 1.187) 1.988 17.454 ( -6.266 3.442 -7.849) 10.616 17.610 ( -3.262 4.137 -0.198) 5.272 17.907 ( 3.564 2.392 -3.794) 5.729 18.433 ( 4.861 0.115 4.644) 6.724 ======================= Grid point 261 (131/250) ======================= q-point: (-0.22 0.11 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( 1.308 5.018 12.638) 13.660 1.151 ( -0.676 2.294 9.174) 9.481 1.763 ( -6.583 3.143 6.965) 10.086 1.960 ( -4.265 -5.087 -2.773) 7.194 2.182 ( 1.118 2.577 5.023) 5.755 2.377 ( 1.291 1.670 -0.665) 2.213 2.702 ( 7.052 -0.651 -2.640) 7.558 3.023 ( 1.449 -3.015 1.080) 3.515 4.016 ( -1.815 1.998 3.073) 4.090 4.115 ( 4.837 -4.587 -1.237) 6.781 4.573 ( 0.315 1.389 -9.324) 9.432 5.274 ( -7.769 4.858 -6.335) 11.139 6.206 ( -0.390 -0.852 -3.625) 3.745 6.334 ( 9.970 -0.455 -0.591) 9.997 6.678 ( -1.257 -1.041 -0.301) 1.660 6.754 ( 5.673 -2.985 3.765) 7.435 7.047 ( -11.959 2.991 6.142) 13.773 7.406 ( 6.196 6.585 7.565) 11.789 7.664 ( 7.684 1.529 1.813) 8.042 7.873 ( -2.331 -3.293 -5.066) 6.476 8.330 ( -4.961 0.141 6.063) 7.835 8.638 ( 1.757 -3.556 -6.233) 7.388 9.554 ( 6.326 4.778 -9.851) 12.645 9.865 ( -0.146 -4.693 -3.769) 6.020 10.187 ( -3.404 1.983 1.474) 4.206 10.572 ( 8.603 6.883 -4.972) 12.087 11.305 ( -7.954 -5.601 3.417) 10.311 12.268 ( -7.324 3.234 0.968) 8.065 16.239 ( 4.014 -1.160 -1.330) 4.385 16.519 ( -5.412 1.613 0.009) 5.647 17.209 ( -1.509 -1.640 1.760) 2.840 17.253 ( -2.468 4.685 -6.494) 8.379 17.342 ( 6.556 -5.000 6.161) 10.293 17.594 ( -2.879 -3.157 4.765) 6.400 17.860 ( 2.169 4.192 -3.955) 6.158 18.538 ( 4.590 -4.071 4.266) 7.472 ======================= Grid point 262 (132/250) ======================= q-point: (-0.11 0.11 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( 1.913 1.297 13.544) 13.740 1.178 ( 3.046 2.218 13.551) 14.065 1.734 ( -0.933 -0.329 10.715) 10.760 1.984 ( -4.985 -4.942 -3.862) 8.011 2.195 ( 3.701 1.158 2.447) 4.586 2.336 ( 0.941 2.603 -3.506) 4.467 2.783 ( 5.870 -1.367 -0.062) 6.028 3.092 ( 1.529 -2.350 0.665) 2.881 3.918 ( -5.583 6.082 5.661) 10.010 4.198 ( -2.148 -0.697 -4.028) 4.618 4.526 ( 0.589 -3.789 -11.318) 11.950 5.096 ( -0.277 5.684 -9.648) 11.201 6.219 ( -2.052 -2.326 -0.350) 3.122 6.441 ( 6.950 -1.330 0.225) 7.079 6.696 ( 0.039 -1.439 0.860) 1.677 6.884 ( -1.015 0.266 1.441) 1.783 6.955 ( 3.654 -1.994 9.412) 10.291 7.388 ( 6.979 6.837 6.675) 11.833 7.741 ( 5.702 -0.450 3.756) 6.843 7.867 ( -1.507 -0.929 -3.086) 3.557 8.298 ( -6.578 0.294 7.076) 9.665 8.665 ( -1.199 -3.156 -8.802) 9.428 9.524 ( 7.707 2.109 -5.625) 9.772 9.896 ( -0.702 -1.471 -6.209) 6.419 10.098 ( -7.424 2.128 3.433) 8.452 10.638 ( 16.543 0.504 -2.005) 16.671 11.329 ( -6.060 -4.966 -0.598) 7.858 12.055 ( -10.630 7.842 -7.567) 15.223 16.297 ( 2.721 -1.217 -1.790) 3.477 16.416 ( -2.890 2.654 -2.572) 4.692 17.128 ( -2.625 3.076 -1.714) 4.392 17.201 ( -1.041 0.789 -0.836) 1.551 17.523 ( 5.432 -2.838 2.225) 6.520 17.703 ( -2.676 -5.874 6.137) 8.907 17.805 ( 4.512 1.503 2.773) 5.505 18.691 ( 4.285 -6.276 1.320) 7.714 ======================= Grid point 265 (133/250) ======================= q-point: ( 0.22 0.22 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.224 ( -0.299 0.000 8.763) 8.768 1.715 ( 11.066 -0.000 9.152) 14.360 1.899 ( -2.306 0.000 -0.651) 2.396 2.043 ( 3.949 -0.000 -1.828) 4.352 2.283 ( 0.446 -0.000 0.493) 0.664 2.415 ( 2.287 -0.000 1.137) 2.554 2.931 ( -1.505 0.000 -0.919) 1.763 3.084 ( -7.141 0.000 -3.545) 7.972 3.325 ( -15.166 0.000 15.456) 21.654 3.573 ( -4.541 0.000 -8.352) 9.506 4.594 ( 2.427 -0.000 -2.223) 3.291 5.426 ( 22.651 -0.000 -16.580) 28.071 6.118 ( -2.514 0.000 3.925) 4.661 6.583 ( -6.064 0.000 -2.789) 6.675 6.660 ( 3.066 -0.000 1.664) 3.489 7.058 ( 2.831 -0.000 3.338) 4.377 7.336 ( 1.081 -0.000 -6.870) 6.955 7.580 ( 5.747 -0.000 4.842) 7.515 7.810 ( -14.316 0.000 -0.699) 14.334 8.012 ( 5.245 -0.000 0.115) 5.247 8.246 ( 0.808 -0.000 8.346) 8.385 8.354 ( -5.945 0.000 -0.449) 5.962 9.556 ( -7.355 0.000 -1.047) 7.429 9.774 ( 6.454 -0.000 -11.721) 13.380 10.080 ( 5.929 -0.000 2.242) 6.339 10.790 ( -7.740 0.000 12.996) 15.126 11.347 ( 2.293 -0.000 7.309) 7.660 11.838 ( 19.546 -0.000 -27.726) 33.923 16.155 ( -0.058 0.000 -0.846) 0.848 16.366 ( -5.054 0.000 -1.310) 5.221 17.104 ( 0.933 -0.000 -4.239) 4.340 17.113 ( 1.643 -0.000 1.708) 2.370 17.573 ( -3.385 0.000 -0.376) 3.406 17.798 ( 8.228 -0.000 1.384) 8.343 18.156 ( -3.046 0.000 7.494) 8.089 18.857 ( -0.443 0.000 -8.959) 8.970 ======================= Grid point 266 (134/250) ======================= q-point: ( 0.33 0.22 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( -1.444 -0.234 7.726) 7.863 1.821 ( -0.504 5.414 2.486) 5.979 1.872 ( 5.352 -1.616 5.357) 7.743 2.073 ( 5.014 0.440 -1.691) 5.310 2.259 ( -2.698 1.789 -1.014) 3.393 2.429 ( 0.355 -0.212 0.132) 0.434 2.812 ( -8.601 6.409 1.177) 10.791 3.022 ( -5.339 -2.005 -2.411) 6.192 3.326 ( -10.577 -6.368 13.230) 18.096 3.587 ( 3.713 -5.990 -7.157) 10.044 4.602 ( 4.661 2.076 -1.145) 5.230 5.573 ( 20.408 0.756 -15.373) 25.561 6.116 ( -1.120 0.239 4.236) 4.388 6.516 ( -6.691 -1.761 -3.745) 7.868 6.689 ( 1.679 0.125 0.315) 1.713 7.023 ( -3.925 2.589 -4.670) 6.627 7.358 ( 7.048 1.643 -0.116) 7.238 7.621 ( -1.931 1.552 2.254) 3.350 7.641 ( -8.982 1.903 1.005) 9.237 7.974 ( -6.993 0.388 -7.685) 10.398 8.298 ( -0.211 -1.906 4.074) 4.502 8.363 ( 3.444 0.261 8.335) 9.022 9.462 ( -5.180 1.330 -0.368) 5.361 9.813 ( 5.801 -2.100 -12.387) 13.839 10.144 ( 4.792 0.078 1.297) 4.964 10.832 ( -4.304 -4.155 15.058) 16.203 11.471 ( 5.598 -4.812 10.489) 12.826 11.847 ( 14.883 5.602 -25.882) 30.377 16.162 ( 1.398 -0.149 -0.334) 1.445 16.316 ( -4.662 -0.920 -0.134) 4.753 17.070 ( 1.201 1.986 -1.804) 2.940 17.166 ( 1.338 -1.904 0.321) 2.349 17.536 ( -3.672 -0.140 -0.404) 3.697 17.877 ( 8.065 1.436 1.592) 8.346 18.137 ( -5.013 0.614 4.837) 6.993 18.758 ( -1.406 4.533 -10.822) 11.816 ======================= Grid point 267 (135/250) ======================= q-point: ( 0.44 0.22 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.266 ( -2.979 -0.107 5.245) 6.033 1.687 ( -0.027 9.818 2.944) 10.250 1.938 ( -2.289 -0.151 4.010) 4.620 2.132 ( 5.300 -0.785 1.401) 5.538 2.147 ( -8.780 2.290 -4.106) 9.960 2.461 ( 3.114 -1.901 0.152) 3.652 2.618 ( -7.644 6.312 2.983) 10.352 2.992 ( -2.363 -0.124 -2.057) 3.135 3.419 ( -8.735 -9.202 10.987) 16.784 3.765 ( 9.600 -9.133 -6.611) 14.808 4.612 ( 5.829 3.146 1.972) 6.911 5.660 ( 14.499 3.086 -13.251) 19.883 6.124 ( -0.531 -0.146 3.999) 4.036 6.474 ( -5.825 -2.940 -5.978) 8.850 6.684 ( -1.316 0.441 -2.321) 2.704 6.879 ( -4.095 4.976 -7.978) 10.256 7.344 ( -3.176 3.812 3.140) 5.871 7.530 ( -1.696 0.664 3.718) 4.140 7.641 ( 3.180 0.885 -0.305) 3.315 7.851 ( -7.676 0.302 -6.266) 9.914 8.333 ( -2.438 -2.360 -0.520) 3.433 8.435 ( 3.709 0.718 9.128) 9.879 9.435 ( -0.633 -1.666 1.621) 2.409 9.831 ( 3.773 -0.689 -12.930) 13.486 10.186 ( 3.551 0.212 -0.108) 3.559 10.948 ( -3.487 -5.430 14.263) 15.655 11.612 ( 9.804 7.917 -12.265) 17.585 11.809 ( 6.264 -4.453 3.520) 8.453 16.177 ( 1.493 0.204 -0.516) 1.593 16.321 ( -1.277 -2.879 2.640) 4.110 17.046 ( 0.599 1.200 -0.899) 1.615 17.200 ( 0.338 -0.610 1.320) 1.493 17.503 ( -3.170 -0.423 -0.623) 3.258 17.928 ( 6.602 2.120 1.233) 7.043 18.057 ( -7.451 3.020 -0.578) 8.060 18.608 ( -0.042 5.545 -9.489) 10.991 ======================= Grid point 268 (136/250) ======================= q-point: (-0.44 0.22 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.245 ( -3.162 0.721 2.708) 4.225 1.514 ( 0.391 12.303 3.963) 12.931 1.879 ( -8.526 1.890 4.844) 9.986 1.993 ( -10.093 0.277 -5.838) 11.663 2.197 ( -0.557 -1.739 3.416) 3.874 2.488 ( -1.888 4.497 4.139) 6.397 2.557 ( 6.813 -2.755 -0.529) 7.368 2.963 ( -0.285 0.775 -1.764) 1.948 3.557 ( -6.458 -10.435 9.204) 15.340 4.001 ( 12.942 -7.363 -7.864) 16.839 4.629 ( 4.720 3.292 5.742) 8.129 5.625 ( 3.734 5.717 -11.118) 13.048 6.149 ( -0.794 -1.206 4.072) 4.321 6.424 ( -2.646 -0.669 -12.567) 12.860 6.628 ( -4.827 -0.035 -3.536) 5.984 6.746 ( 0.397 3.690 -3.663) 5.214 7.255 ( -6.961 2.170 4.828) 8.745 7.536 ( 2.313 2.233 5.681) 6.528 7.678 ( 3.201 -1.913 -2.490) 4.483 7.772 ( -0.486 1.198 -3.440) 3.675 8.321 ( -4.805 -1.852 -3.046) 5.983 8.497 ( 1.810 -0.398 7.465) 7.691 9.513 ( 3.050 -4.214 2.192) 5.645 9.799 ( 2.090 1.103 -12.332) 12.557 10.212 ( 2.730 0.122 -1.115) 2.951 11.053 ( -4.782 -4.695 9.324) 11.483 11.360 ( 5.465 17.354 -16.085) 24.285 12.065 ( 3.417 -9.006 14.685) 17.562 16.186 ( 1.652 0.047 -0.538) 1.738 16.408 ( 1.935 -4.063 5.606) 7.189 17.033 ( -0.783 -0.125 0.298) 0.847 17.214 ( 0.559 -0.070 1.644) 1.738 17.474 ( -3.276 -0.232 -1.311) 3.536 17.860 ( -7.200 7.110 -5.782) 11.654 17.967 ( 4.174 1.452 0.069) 4.420 18.506 ( 1.447 3.206 -5.232) 6.304 ======================= Grid point 269 (137/250) ======================= q-point: (-0.33 0.22 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( -0.078 1.292 2.738) 3.029 1.316 ( -0.146 11.978 5.814) 13.315 1.783 ( -11.063 -0.678 4.556) 11.984 1.883 ( -8.355 -0.440 -2.875) 8.847 2.213 ( -2.664 -0.669 3.937) 4.800 2.447 ( 1.063 2.448 3.348) 4.282 2.674 ( 8.208 -1.838 -1.771) 8.596 2.952 ( 0.635 -0.320 -0.989) 1.218 3.728 ( -3.396 -10.664 7.742) 13.608 4.180 ( 13.503 -0.976 -8.625) 16.052 4.639 ( 2.084 2.769 5.345) 6.370 5.449 ( -6.816 6.400 -9.739) 13.500 6.158 ( -5.118 -1.423 1.133) 5.432 6.371 ( 6.400 0.947 -11.175) 12.913 6.592 ( -4.584 -3.121 -2.284) 5.997 6.731 ( 4.893 1.034 0.962) 5.093 7.152 ( -9.135 3.020 5.933) 11.304 7.557 ( 3.348 1.693 4.703) 6.016 7.719 ( 2.904 0.079 -2.512) 3.840 7.780 ( 5.665 -0.318 -1.676) 5.916 8.286 ( -5.714 -2.139 -2.518) 6.600 8.550 ( -0.121 -1.554 3.626) 3.947 9.638 ( 4.851 -3.935 0.101) 6.247 9.733 ( 0.518 1.522 -10.131) 10.258 10.230 ( 2.231 0.346 -1.151) 2.534 10.967 ( -0.221 11.582 -15.975) 19.733 11.179 ( -1.663 1.614 12.765) 12.974 12.251 ( -2.293 -4.282 10.311) 11.398 16.210 ( 2.808 -0.470 -0.199) 2.854 16.511 ( 0.335 -2.095 4.838) 5.283 17.061 ( 0.044 -3.626 3.472) 5.020 17.240 ( 2.725 -0.594 0.925) 2.938 17.411 ( -4.965 1.926 -3.934) 6.621 17.649 ( -4.946 5.690 -2.857) 8.063 17.978 ( 4.205 2.388 -1.748) 5.142 18.474 ( 0.955 0.006 -2.273) 2.465 ======================= Grid point 270 (138/250) ======================= q-point: (-0.22 0.22 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( 1.848 7.161 10.229) 12.623 1.246 ( 5.396 1.662 6.306) 8.465 1.718 ( -9.302 -1.847 3.714) 10.185 1.816 ( -7.364 -2.524 -1.164) 7.871 2.218 ( -1.209 -0.445 3.292) 3.535 2.429 ( 0.658 2.259 1.122) 2.607 2.761 ( 7.393 0.033 -1.952) 7.646 2.986 ( 0.613 -2.975 -0.021) 3.038 3.915 ( -0.872 -8.941 5.760) 10.671 4.216 ( 6.560 5.257 -3.253) 9.014 4.602 ( 1.462 4.557 -5.175) 7.049 5.228 ( -8.742 3.530 -7.632) 12.130 6.135 ( -3.547 -2.086 -1.187) 4.283 6.412 ( 6.576 -0.584 -3.524) 7.484 6.617 ( -1.258 -3.756 -0.718) 4.026 6.806 ( 6.482 -1.589 2.548) 7.144 7.033 ( -6.528 3.696 6.645) 10.022 7.567 ( 1.937 2.557 2.433) 4.027 7.735 ( 2.712 0.204 -0.367) 2.744 7.848 ( 7.510 0.157 -1.280) 7.620 8.261 ( -5.629 -2.321 -0.252) 6.094 8.574 ( -2.502 -1.998 -1.234) 3.431 9.637 ( 3.080 3.909 -7.234) 8.780 9.773 ( 1.822 -5.200 -3.091) 6.318 10.214 ( -0.493 3.046 -0.341) 3.105 10.755 ( 7.380 7.409 -9.064) 13.839 11.208 ( -3.768 -1.227 10.031) 10.786 12.243 ( -8.361 2.202 2.875) 9.111 16.255 ( 3.072 -1.026 -0.234) 3.247 16.501 ( -3.340 1.852 -0.449) 3.845 17.167 ( -0.676 -3.458 4.320) 5.575 17.269 ( -2.072 3.313 -6.475) 7.563 17.352 ( 6.077 -4.508 6.810) 10.180 17.557 ( -2.561 0.870 1.637) 3.162 17.945 ( 2.808 4.238 -2.723) 5.767 18.509 ( 0.580 -3.963 -0.953) 4.117 ======================= Grid point 271 (139/250) ======================= q-point: (-0.11 0.22 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( 2.904 4.173 10.788) 11.926 1.337 ( 9.380 1.870 11.044) 14.610 1.712 ( -3.884 -4.069 4.162) 6.997 1.811 ( -6.120 -5.289 -0.591) 8.111 2.233 ( 0.240 -0.444 1.503) 1.585 2.394 ( 1.773 2.889 -0.772) 3.477 2.816 ( 4.014 -0.534 -0.430) 4.072 3.052 ( 0.491 -3.613 -0.348) 3.663 3.976 ( -5.560 3.951 4.006) 7.910 4.165 ( -2.417 1.354 -0.413) 2.801 4.475 ( -0.458 3.478 -9.756) 10.368 5.124 ( 3.223 0.829 -9.258) 9.838 6.146 ( -2.696 -2.429 0.393) 3.650 6.475 ( 3.507 -1.435 0.431) 3.813 6.678 ( 1.346 -2.569 1.126) 3.112 6.872 ( -2.231 -0.068 1.631) 2.765 7.033 ( 8.479 -1.445 7.920) 11.692 7.528 ( -0.896 2.551 -1.820) 3.260 7.768 ( 3.585 0.411 3.289) 4.882 7.908 ( 6.036 0.587 -0.417) 6.079 8.245 ( -5.130 -1.288 3.241) 6.204 8.555 ( -4.912 -2.161 -5.454) 7.651 9.587 ( 2.276 1.874 -3.875) 4.869 9.843 ( 2.259 -2.633 -5.961) 6.897 10.115 ( -2.918 5.080 0.173) 5.860 10.790 ( 13.235 0.244 -1.411) 13.312 11.233 ( -2.022 -1.957 4.016) 4.904 12.050 ( -10.701 7.243 -4.406) 13.652 16.283 ( -0.988 -0.297 -1.619) 1.919 16.430 ( -0.236 1.774 -2.071) 2.737 17.137 ( -3.948 2.676 0.000) 4.769 17.210 ( 0.557 0.686 -2.125) 2.301 17.554 ( 3.118 -0.856 0.941) 3.368 17.596 ( 2.684 -7.751 8.334) 11.693 17.893 ( 3.120 2.881 1.471) 4.495 18.607 ( 0.745 -6.913 -1.692) 7.156 ======================= Grid point 275 (140/250) ======================= q-point: ( 0.33 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( -2.621 0.000 8.096) 8.510 1.873 ( -1.620 0.000 3.169) 3.559 1.899 ( -0.830 0.000 2.295) 2.441 2.110 ( 4.764 -0.000 -3.556) 5.945 2.234 ( -5.822 0.000 -0.821) 5.880 2.426 ( -0.218 0.000 1.915) 1.927 2.835 ( -6.690 0.000 -0.665) 6.723 2.886 ( -7.086 0.000 2.371) 7.472 3.241 ( -7.163 0.000 10.914) 13.054 3.583 ( 10.834 -0.000 -4.873) 11.879 4.676 ( 7.197 -0.000 -1.001) 7.266 5.714 ( 18.397 -0.000 -14.933) 23.695 6.126 ( -1.278 0.000 3.794) 4.004 6.404 ( -7.485 0.000 -5.343) 9.197 6.687 ( -2.011 0.000 -2.195) 2.976 6.967 ( -3.928 0.000 -8.440) 9.309 7.475 ( -16.035 0.000 0.981) 16.065 7.485 ( 10.840 -0.000 3.022) 11.254 7.699 ( 1.825 -0.000 4.072) 4.462 7.837 ( -9.923 0.000 -10.954) 14.780 8.285 ( -2.522 0.000 3.370) 4.210 8.450 ( 4.512 -0.000 7.922) 9.117 9.415 ( -4.743 0.000 -0.315) 4.753 9.814 ( 6.728 -0.000 -10.075) 12.115 10.190 ( 2.867 -0.000 1.311) 3.152 10.850 ( 0.283 -0.000 15.960) 15.962 11.540 ( 6.730 -0.000 12.970) 14.612 11.924 ( 12.832 -0.000 -27.334) 30.196 16.187 ( 3.178 -0.000 0.765) 3.269 16.263 ( -3.639 0.000 0.748) 3.715 17.098 ( 2.041 -0.000 -3.962) 4.457 17.167 ( 1.694 -0.000 2.340) 2.889 17.495 ( -3.596 0.000 -0.476) 3.627 17.980 ( 7.211 -0.000 1.781) 7.428 18.096 ( -7.585 0.000 3.893) 8.525 18.717 ( -2.785 0.000 -14.084) 14.357 ======================= Grid point 276 (141/250) ======================= q-point: (-0.56 -0.67 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( -3.450 0.641 6.906) 7.747 1.829 ( -1.471 4.662 4.327) 6.529 1.873 ( -7.499 -1.907 -1.175) 7.826 2.092 ( -9.955 4.787 -1.247) 11.116 2.149 ( 0.598 -0.857 -2.381) 2.601 2.470 ( 3.679 -1.764 3.177) 5.172 2.673 ( -5.481 6.134 1.556) 8.372 2.929 ( -1.117 -4.107 -0.068) 4.256 3.258 ( -7.685 -5.107 11.042) 14.389 3.748 ( 15.450 -4.877 -3.560) 16.588 4.739 ( 8.499 2.087 0.836) 8.792 5.789 ( 11.767 3.035 -13.775) 18.370 6.124 ( -2.123 -0.467 2.923) 3.643 6.325 ( -6.898 -2.677 -7.291) 10.388 6.623 ( -6.385 -0.367 -7.217) 9.643 6.884 ( -0.896 2.638 -7.384) 7.893 7.321 ( -10.563 1.402 2.371) 10.916 7.593 ( 4.334 0.926 2.381) 5.031 7.673 ( 0.716 1.844 -2.342) 3.066 7.761 ( -2.408 -1.941 -0.751) 3.182 8.269 ( -4.082 -0.918 0.398) 4.202 8.506 ( 1.116 0.430 5.350) 5.482 9.398 ( -1.300 -1.851 1.780) 2.879 9.834 ( 5.618 0.662 -8.246) 9.999 10.216 ( 1.448 0.021 0.549) 1.549 10.944 ( 1.028 -1.347 13.521) 13.627 11.716 ( 7.482 -3.272 9.315) 12.387 11.870 ( 8.699 4.582 -19.550) 21.883 16.207 ( 1.779 1.316 1.064) 2.455 16.284 ( 1.643 -2.954 3.194) 4.650 17.082 ( 1.789 2.007 -2.708) 3.816 17.202 ( 1.047 -0.646 1.842) 2.215 17.462 ( -2.826 -0.395 -0.818) 2.968 18.010 ( -8.410 1.483 1.659) 8.699 18.033 ( 3.643 1.910 0.836) 4.197 18.604 ( -1.750 1.825 -14.657) 14.873 ======================= Grid point 277 (142/250) ======================= q-point: (-0.44 -0.67 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( -2.385 0.792 4.605) 5.246 1.726 ( -0.993 8.408 3.693) 9.237 1.814 ( -10.422 -2.946 -3.381) 11.346 1.850 ( -13.848 5.998 2.207) 15.252 2.166 ( -2.327 -1.953 0.324) 3.055 2.552 ( -2.892 3.958 3.902) 6.266 2.580 ( 6.296 -3.105 0.545) 7.041 2.968 ( 2.324 -0.063 -2.504) 3.417 3.364 ( -6.659 -9.589 12.089) 16.805 4.007 ( 17.619 -6.483 -3.958) 19.187 4.777 ( 6.637 4.055 3.658) 8.595 5.699 ( -0.212 7.106 -13.071) 14.879 6.123 ( -4.492 -0.733 3.343) 5.647 6.296 ( -1.998 -4.650 -11.229) 12.317 6.525 ( -6.821 -1.218 -9.571) 11.816 6.806 ( 1.742 3.053 -3.536) 4.986 7.232 ( -6.387 1.249 3.643) 7.458 7.560 ( -0.449 0.082 -3.531) 3.560 7.724 ( 6.065 0.815 2.320) 6.544 7.784 ( 1.452 -0.774 3.375) 3.754 8.235 ( -3.889 -0.825 -3.294) 5.163 8.516 ( -2.592 -0.385 4.025) 4.803 9.465 ( 1.266 -4.269 2.562) 5.138 9.826 ( 4.362 2.443 -6.642) 8.313 10.229 ( 1.188 -0.175 -0.314) 1.241 11.012 ( -1.435 -0.985 6.484) 6.714 11.625 ( 7.408 13.688 -16.388) 22.601 12.012 ( 2.971 -8.052 13.795) 16.247 16.213 ( 2.174 0.800 1.540) 2.782 16.399 ( 4.546 -3.770 5.461) 8.044 17.045 ( -0.023 2.070 -1.162) 2.374 17.226 ( 1.218 -0.307 1.276) 1.790 17.439 ( -2.263 -0.100 -1.127) 2.530 17.854 ( -9.076 4.636 -3.533) 10.787 18.035 ( 1.790 1.405 1.203) 2.574 18.508 ( -0.037 1.383 -11.894) 11.974 ======================= Grid point 278 (143/250) ======================= q-point: (-0.33 -0.67 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( 1.520 -0.279 2.536) 2.970 1.526 ( -5.242 10.331 3.871) 12.214 1.681 ( -10.077 1.159 3.336) 10.678 1.757 ( -8.685 -1.804 0.488) 8.884 2.173 ( -3.914 -2.033 2.445) 5.043 2.490 ( -1.821 1.789 1.331) 2.878 2.714 ( 7.214 -3.197 1.524) 8.036 2.959 ( 1.450 1.433 -3.781) 4.295 3.552 ( -2.624 -11.094 11.334) 16.075 4.263 ( 17.606 -3.516 -6.394) 19.059 4.759 ( 1.758 5.242 5.858) 8.055 5.446 ( -8.986 8.709 -13.259) 18.232 6.086 ( -5.163 -0.859 0.297) 5.242 6.342 ( 2.722 -4.597 -9.128) 10.577 6.467 ( -4.759 -3.615 -6.269) 8.661 6.797 ( 4.152 0.810 -0.081) 4.231 7.158 ( -4.266 2.928 4.287) 6.720 7.568 ( 1.384 -1.163 -3.233) 3.704 7.751 ( 1.430 0.242 -0.364) 1.495 7.855 ( 5.463 0.012 6.474) 8.471 8.202 ( -0.615 -0.737 -5.372) 5.457 8.508 ( -5.623 -1.748 2.568) 6.425 9.575 ( 1.734 -5.408 0.671) 5.719 9.781 ( 2.986 4.008 -4.756) 6.900 10.249 ( 2.041 -0.398 -0.552) 2.151 10.977 ( -3.162 2.119 -9.372) 10.115 11.408 ( 5.973 13.495 2.898) 15.040 12.189 ( -2.918 -4.973 10.264) 11.772 16.238 ( 2.681 0.232 1.737) 3.203 16.517 ( 2.767 -1.383 4.073) 5.114 17.030 ( -0.058 -1.432 2.671) 3.032 17.262 ( 3.586 -0.929 0.060) 3.705 17.391 ( -3.267 1.929 -1.584) 4.111 17.673 ( -5.718 4.697 -2.688) 7.873 18.039 ( 1.425 0.593 0.185) 1.555 18.439 ( -1.215 0.304 -9.659) 9.740 ======================= Grid point 279 (144/250) ======================= q-point: (-0.22 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( 7.141 -2.303 3.276) 8.187 1.369 ( -2.276 6.233 8.541) 10.815 1.588 ( -8.784 -0.234 1.909) 8.992 1.716 ( -6.452 -1.720 3.274) 7.437 2.184 ( -3.367 -2.175 3.153) 5.100 2.457 ( -1.025 0.778 -0.127) 1.293 2.833 ( 6.947 -0.591 0.278) 6.977 2.931 ( -1.845 -1.239 -3.261) 3.946 3.780 ( 1.044 -10.321 8.568) 13.454 4.359 ( 6.111 5.480 -4.592) 9.406 4.706 ( 3.632 5.775 -0.922) 6.884 5.159 ( -9.579 4.184 -9.794) 14.325 6.075 ( -0.886 -1.540 -0.460) 1.836 6.403 ( 1.795 -3.162 -4.647) 5.901 6.504 ( -2.054 -6.771 -2.158) 7.398 6.844 ( 3.538 -0.576 1.360) 3.834 7.097 ( 0.391 3.373 4.561) 5.686 7.565 ( -1.457 0.229 -3.648) 3.934 7.766 ( 0.758 -1.401 -1.285) 2.047 7.929 ( 3.522 0.771 7.138) 7.997 8.209 ( 4.850 -0.280 -5.274) 7.170 8.480 ( -8.106 -2.416 0.043) 8.458 9.668 ( -1.466 -2.665 -2.945) 4.234 9.727 ( 4.803 1.785 -2.474) 5.690 10.262 ( 1.570 1.682 -1.253) 2.620 10.847 ( 2.863 2.748 -15.191) 15.701 11.317 ( 2.245 8.067 15.632) 17.733 12.199 ( -8.299 0.812 4.019) 9.257 16.267 ( 1.441 -0.083 1.160) 1.851 16.512 ( -1.262 2.489 -1.183) 3.031 17.119 ( 0.176 -4.121 5.732) 7.062 17.277 ( -1.999 3.066 -4.602) 5.880 17.377 ( 6.157 -3.196 5.937) 9.131 17.572 ( -1.232 2.044 0.023) 2.387 18.028 ( 1.617 2.807 -0.852) 3.350 18.401 ( -3.299 -3.817 -8.018) 9.473 ======================= Grid point 280 (145/250) ======================= q-point: (-0.11 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.314 ( 0.959 4.454 7.043) 8.388 1.505 ( 12.956 -2.429 8.133) 15.489 1.540 ( -9.217 -5.203 -0.265) 10.588 1.723 ( -2.509 -2.134 6.677) 7.445 2.208 ( -2.036 -2.195 2.601) 3.966 2.437 ( 0.585 0.823 -1.780) 2.047 2.842 ( -0.074 1.486 -1.663) 2.232 2.975 ( -0.163 -4.596 -1.040) 4.715 3.961 ( 0.264 -3.903 2.753) 4.784 4.202 ( -7.416 7.829 1.964) 10.962 4.545 ( -1.409 9.848 -8.137) 12.852 5.116 ( 7.297 -3.274 -7.729) 11.122 6.099 ( -0.334 -1.318 0.451) 1.432 6.460 ( 1.146 -3.210 0.140) 3.412 6.619 ( 1.327 -6.687 0.122) 6.819 6.866 ( -0.915 0.722 1.615) 1.992 7.125 ( 6.549 -0.670 3.931) 7.667 7.505 ( -2.804 1.448 -4.567) 5.551 7.797 ( -1.297 -3.070 -2.674) 4.273 7.961 ( 0.898 1.902 9.032) 9.274 8.254 ( 8.179 0.965 -3.410) 8.914 8.426 ( -9.334 -2.456 -2.270) 9.915 9.604 ( -4.007 2.155 -1.518) 4.796 9.808 ( 6.896 -2.911 -5.411) 9.236 10.190 ( -0.269 5.329 -3.286) 6.266 10.878 ( 10.734 -3.377 -7.635) 13.599 11.279 ( -0.628 5.064 13.905) 14.811 12.046 ( -9.721 5.937 -1.011) 11.435 16.263 ( -1.837 0.680 -0.977) 2.189 16.451 ( -0.361 1.952 -1.596) 2.547 17.145 ( -3.523 2.005 1.827) 4.446 17.208 ( -0.120 0.049 -1.413) 1.419 17.518 ( -0.416 -2.372 4.378) 4.997 17.625 ( 9.584 -3.404 3.298) 10.692 17.979 ( 1.587 3.331 1.504) 3.985 18.441 ( -3.172 -8.366 -7.030) 11.379 ======================= Grid point 285 (146/250) ======================= q-point: (-0.56 -0.56 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( -3.878 0.000 7.601) 8.533 1.736 ( -12.595 0.000 -3.526) 13.079 1.845 ( -6.514 0.000 4.666) 8.012 2.075 ( -6.448 0.000 0.692) 6.485 2.101 ( -2.464 0.000 -3.814) 4.541 2.501 ( 4.257 -0.000 -0.599) 4.299 2.686 ( -7.330 0.000 4.056) 8.377 2.900 ( 5.101 -0.000 3.335) 6.094 3.183 ( -7.460 0.000 9.454) 12.043 3.875 ( 18.843 -0.000 -0.826) 18.861 4.856 ( 9.254 -0.000 0.908) 9.298 5.862 ( 7.038 -0.000 -14.102) 15.761 6.085 ( -4.539 0.000 -0.051) 4.539 6.194 ( -7.550 0.000 -6.272) 9.815 6.495 ( -8.226 0.000 -11.887) 14.456 6.876 ( 0.304 -0.000 -6.333) 6.340 7.247 ( -6.700 0.000 2.546) 7.168 7.582 ( -1.634 0.000 -7.041) 7.228 7.736 ( -2.144 0.000 5.286) 5.704 7.760 ( 9.089 -0.000 4.100) 9.971 8.218 ( -4.664 0.000 0.176) 4.667 8.514 ( -2.784 0.000 0.709) 2.873 9.385 ( 0.355 -0.000 3.515) 3.533 9.874 ( 5.553 -0.000 -4.527) 7.164 10.224 ( -0.225 0.000 1.028) 1.053 11.006 ( 1.424 -0.000 8.698) 8.814 11.806 ( 5.945 -0.000 14.221) 15.414 11.909 ( 9.102 -0.000 -22.202) 23.995 16.261 ( 1.713 -0.000 4.124) 4.465 16.294 ( 5.427 -0.000 2.969) 6.186 17.110 ( 1.965 -0.000 -3.296) 3.837 17.218 ( 1.324 -0.000 1.743) 2.189 17.426 ( -2.191 0.000 -1.534) 2.675 17.930 ( -10.580 0.000 2.035) 10.774 18.072 ( -0.878 0.000 -0.864) 1.231 18.536 ( 0.734 -0.000 -16.095) 16.112 ======================= Grid point 286 (147/250) ======================= q-point: (-0.44 -0.56 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( -3.491 0.644 6.575) 7.472 1.597 ( -15.440 -2.409 -3.527) 16.020 1.757 ( -9.863 2.034 4.080) 10.866 1.944 ( -2.028 8.118 0.915) 8.417 2.084 ( -4.941 -2.576 -0.744) 5.622 2.531 ( -1.384 -1.425 -5.731) 6.066 2.640 ( 0.531 1.406 9.015) 9.140 2.997 ( 6.548 -0.407 -1.827) 6.810 3.208 ( -6.459 -6.673 13.583) 16.454 4.107 ( 19.988 -3.305 0.039) 20.259 4.920 ( 5.971 2.936 1.954) 6.935 5.748 ( -3.383 7.404 -14.554) 16.676 6.065 ( -5.891 -1.203 2.394) 6.472 6.132 ( -2.696 -5.109 -10.582) 12.056 6.374 ( -6.552 -1.852 -13.001) 14.675 6.843 ( 1.397 1.278 -4.147) 4.558 7.212 ( -2.600 0.341 2.289) 3.481 7.557 ( 3.365 0.477 -5.241) 6.247 7.738 ( -3.766 -0.749 4.541) 5.947 7.865 ( 7.448 0.543 6.200) 9.706 8.180 ( -2.672 -0.686 -1.644) 3.211 8.469 ( -5.630 -0.426 -1.236) 5.780 9.433 ( 1.275 -2.326 3.657) 4.518 9.895 ( 4.666 2.063 -2.265) 5.582 10.228 ( -0.391 -0.514 1.044) 1.228 11.017 ( -1.914 0.958 -0.703) 2.253 11.835 ( 9.393 7.845 -11.956) 17.109 11.980 ( 2.487 -5.089 11.170) 12.524 16.283 ( 3.941 2.318 4.317) 6.288 16.415 ( 6.059 -3.667 5.385) 8.896 17.084 ( 0.350 2.773 -2.297) 3.618 17.240 ( 1.630 -0.330 0.690) 1.800 17.407 ( -1.426 -0.735 -2.032) 2.589 17.808 ( -10.044 2.301 0.280) 10.308 18.020 ( -5.910 -0.657 -4.004) 7.168 18.489 ( 4.093 1.404 -12.616) 13.337 ======================= Grid point 287 (148/250) ======================= q-point: (-0.33 -0.56 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.245 ( -3.434 -1.093 4.089) 5.451 1.459 ( -15.899 -1.233 0.142) 15.947 1.661 ( -6.362 0.363 6.209) 8.897 1.793 ( 0.265 8.716 0.760) 8.753 2.085 ( -5.585 -3.394 2.237) 6.907 2.484 ( -3.227 0.691 -1.905) 3.811 2.717 ( 2.843 -3.257 3.223) 5.393 3.001 ( 2.657 2.623 -4.161) 5.590 3.400 ( -0.206 -10.646 14.019) 17.604 4.370 ( 18.669 -3.348 -2.468) 19.127 4.887 ( -0.163 5.318 4.516) 6.978 5.451 ( -9.521 10.273 -15.682) 21.026 6.037 ( -1.664 -0.687 0.623) 1.905 6.195 ( -0.614 -7.926 -9.254) 12.200 6.319 ( -4.317 -3.941 -9.240) 10.934 6.841 ( 3.161 0.296 -0.975) 3.321 7.189 ( -0.721 1.472 1.574) 2.272 7.575 ( 4.013 0.554 -2.457) 4.738 7.711 ( -6.242 -0.917 0.702) 6.348 7.955 ( 5.656 0.572 8.299) 10.059 8.187 ( 3.158 -1.425 -3.891) 5.210 8.411 ( -7.105 -1.186 -1.262) 7.313 9.510 ( 0.552 -3.864 0.868) 3.999 9.875 ( 3.469 4.166 -0.405) 5.436 10.250 ( 0.841 -1.252 1.007) 1.814 10.927 ( -4.539 1.863 -11.884) 12.857 11.723 ( 9.156 12.163 0.310) 15.227 12.116 ( -3.278 -4.624 9.312) 10.902 16.302 ( 3.670 2.280 4.116) 5.967 16.549 ( 4.180 -1.377 3.673) 5.732 17.034 ( -0.286 0.897 1.519) 1.787 17.279 ( 3.707 -1.285 -0.713) 3.988 17.386 ( -1.683 0.790 -1.132) 2.177 17.670 ( -6.191 2.992 -0.597) 6.902 17.975 ( -6.774 -4.261 -4.310) 9.090 18.432 ( 2.992 3.946 -10.305) 11.433 ======================= Grid point 288 (149/250) ======================= q-point: (-0.22 -0.56 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.251 ( -10.104 -3.929 3.499) 11.391 1.382 ( -5.364 -4.007 5.729) 8.812 1.652 ( 0.672 8.246 1.271) 8.371 1.679 ( 0.971 -1.321 7.062) 7.249 2.106 ( -4.811 -3.598 3.927) 7.177 2.440 ( -2.366 0.087 -1.701) 2.915 2.807 ( -0.758 -4.558 -0.840) 4.696 2.950 ( 2.043 3.635 -2.801) 5.023 3.660 ( 3.003 -10.560 10.570) 15.240 4.479 ( 3.043 5.073 -5.010) 7.752 4.857 ( 7.953 3.445 4.320) 9.684 5.102 ( -10.529 7.659 -13.415) 18.695 6.060 ( 2.451 -1.023 -1.110) 2.879 6.299 ( 0.789 -7.711 -7.789) 10.988 6.342 ( -2.376 -6.348 -2.035) 7.077 6.876 ( 2.860 -0.163 1.084) 3.063 7.163 ( 0.666 1.712 0.648) 1.948 7.559 ( -3.211 1.783 0.653) 3.730 7.685 ( -2.503 -2.662 -3.652) 5.167 8.026 ( 3.342 1.464 9.619) 10.288 8.242 ( 3.018 -2.418 -5.938) 7.086 8.364 ( -2.592 -0.559 -1.210) 2.915 9.571 ( -1.844 -3.902 -3.328) 5.450 9.836 ( 4.549 4.425 1.085) 6.439 10.283 ( 0.839 -0.327 -0.247) 0.934 10.797 ( -1.944 -0.150 -16.320) 16.436 11.614 ( 5.272 12.481 12.425) 18.383 12.140 ( -6.826 -0.655 4.345) 8.118 16.307 ( 1.375 2.296 2.735) 3.827 16.544 ( -0.782 2.949 -1.683) 3.484 17.088 ( 0.940 -2.919 5.905) 6.654 17.293 ( -0.974 2.554 -3.583) 4.507 17.413 ( 5.993 -3.101 5.556) 8.741 17.591 ( -1.076 1.346 0.215) 1.736 17.988 ( -5.429 -6.243 -4.402) 9.371 18.323 ( -0.409 4.402 -9.163) 10.174 ======================= Grid point 289 (150/250) ======================= q-point: (-0.11 -0.56 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( -10.569 -6.986 3.039) 13.029 1.461 ( -5.341 -1.605 -0.194) 5.581 1.591 ( 6.990 0.168 10.846) 12.904 1.773 ( 7.605 -0.226 7.024) 10.355 2.144 ( -3.595 -3.482 4.481) 6.718 2.418 ( -1.495 -0.960 -2.456) 3.031 2.805 ( -5.992 -0.687 -5.508) 8.168 2.938 ( 2.619 -0.272 0.850) 2.766 3.892 ( 3.336 -7.420 3.878) 9.012 4.277 ( -9.653 9.821 0.508) 13.780 4.688 ( -3.552 12.589 -7.851) 15.256 5.111 ( 12.396 -5.156 -3.748) 13.939 6.093 ( 1.653 -0.479 -0.587) 1.819 6.393 ( 1.426 -5.604 -2.838) 6.442 6.480 ( 1.178 -9.313 -0.940) 9.434 6.890 ( -0.205 1.469 1.659) 2.225 7.167 ( 2.429 -0.547 0.018) 2.489 7.489 ( -5.186 0.387 -0.050) 5.200 7.689 ( -2.356 -1.622 -3.026) 4.164 8.059 ( 0.767 2.064 8.609) 8.887 8.243 ( -6.894 -3.856 -3.667) 8.708 8.388 ( 9.342 1.971 -2.956) 9.995 9.560 ( -4.434 -0.542 -3.291) 5.549 9.852 ( 7.802 0.828 -2.404) 8.206 10.243 ( -1.195 3.325 -4.138) 5.441 10.814 ( 4.880 -7.580 -11.423) 14.552 11.494 ( -1.701 11.152 15.538) 19.201 12.057 ( -5.065 4.140 2.801) 7.116 16.268 ( -1.550 2.351 -0.527) 2.865 16.479 ( -0.739 2.569 -0.279) 2.687 17.142 ( -1.892 -0.420 3.497) 3.998 17.217 ( -1.067 2.385 -0.929) 2.774 17.519 ( 1.018 -0.349 3.388) 3.555 17.669 ( 8.945 -4.317 2.950) 10.361 18.014 ( -3.036 -2.601 -1.839) 4.401 18.237 ( -2.641 -2.928 -8.377) 9.258 ======================= Grid point 295 (151/250) ======================= q-point: (-0.44 -0.44 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( -6.102 0.000 8.348) 10.340 1.391 ( -16.949 0.000 -2.105) 17.079 1.703 ( -7.039 0.000 3.558) 7.887 1.958 ( -8.738 0.000 -1.977) 8.959 2.037 ( 0.549 -0.000 0.930) 1.080 2.471 ( -2.312 0.000 -4.339) 4.916 2.688 ( -0.301 0.000 6.655) 6.662 3.051 ( 2.787 -0.000 -3.488) 4.465 3.167 ( 0.578 -0.000 16.718) 16.728 4.291 ( 19.723 -0.000 1.773) 19.802 4.997 ( 1.653 -0.000 1.521) 2.246 5.704 ( -8.141 0.000 -16.603) 18.492 5.977 ( -2.071 0.000 -6.635) 6.950 6.043 ( -1.524 0.000 -0.372) 1.569 6.231 ( -5.036 0.000 -14.472) 15.323 6.851 ( 1.995 -0.000 -3.157) 3.735 7.208 ( -0.619 0.000 1.027) 1.199 7.590 ( 6.028 -0.000 -5.265) 8.003 7.704 ( -6.977 0.000 7.198) 10.024 7.967 ( 5.793 -0.000 5.663) 8.101 8.145 ( -1.136 0.000 0.157) 1.147 8.394 ( -5.149 0.000 -4.035) 6.541 9.439 ( 0.457 -0.000 2.988) 3.022 9.958 ( 4.546 -0.000 -0.018) 4.546 10.221 ( -0.988 0.000 2.378) 2.575 10.969 ( -5.001 0.000 -10.036) 11.213 11.971 ( 10.198 -0.000 -7.499) 12.658 11.995 ( 0.756 -0.000 10.921) 10.947 16.402 ( 6.579 -0.000 6.798) 9.460 16.452 ( 5.808 -0.000 5.426) 7.948 17.108 ( 0.179 -0.000 -2.222) 2.229 17.251 ( 1.256 -0.000 -1.073) 1.652 17.371 ( -1.365 0.000 -2.771) 3.088 17.733 ( -9.857 0.000 3.323) 10.402 17.883 ( -10.181 0.000 -10.729) 14.791 18.520 ( 7.331 -0.000 -9.382) 11.906 ======================= Grid point 296 (152/250) ======================= q-point: (-0.33 -0.44 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( -10.817 0.309 6.691) 12.722 1.258 ( -15.648 -3.134 3.580) 16.355 1.666 ( -0.137 1.059 4.464) 4.590 1.862 ( -8.080 0.209 -0.509) 8.099 2.025 ( 0.232 1.692 1.674) 2.391 2.441 ( -2.352 -0.551 -2.465) 3.451 2.707 ( -0.296 -0.604 2.500) 2.589 3.034 ( -0.405 0.650 -1.997) 2.139 3.338 ( 5.333 -6.081 14.477) 16.583 4.497 ( 14.978 -1.506 -1.539) 15.132 4.972 ( -1.586 3.209 4.861) 6.037 5.447 ( -10.119 8.091 -16.906) 21.299 5.986 ( -1.303 -4.855 -7.858) 9.328 6.070 ( 4.947 -1.375 -1.874) 5.466 6.168 ( -2.411 -4.039 -9.586) 10.677 6.867 ( 2.818 -0.199 -0.929) 2.974 7.201 ( -0.638 0.425 -0.010) 0.766 7.625 ( 3.989 -0.009 -2.360) 4.635 7.633 ( -10.334 1.100 3.976) 11.127 8.044 ( 3.797 -0.473 6.498) 7.541 8.164 ( 0.337 -1.069 0.639) 1.290 8.346 ( 0.362 -0.552 -4.604) 4.651 9.460 ( -1.021 -1.809 -0.086) 2.079 9.980 ( 3.935 2.813 1.345) 5.021 10.238 ( -0.356 -1.269 3.066) 3.337 10.830 ( -7.174 1.150 -17.064) 18.547 11.992 ( 9.528 6.938 -0.034) 11.787 12.055 ( -3.391 -2.626 7.746) 8.854 16.434 ( 5.310 4.708 5.961) 9.268 16.580 ( 4.094 -2.021 3.851) 5.973 17.065 ( -0.260 2.297 0.804) 2.447 17.274 ( 1.632 -2.362 -3.346) 4.409 17.367 ( -0.141 -1.160 -0.382) 1.229 17.647 ( -6.024 1.326 2.169) 6.538 17.761 ( -10.773 -4.170 -10.112) 15.353 18.521 ( 6.474 4.243 -7.867) 11.036 ======================= Grid point 297 (153/250) ======================= q-point: (-0.22 -0.44 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( -14.744 -0.893 8.080) 16.836 1.224 ( -9.668 -6.850 6.681) 13.602 1.715 ( 2.396 -1.564 5.367) 6.082 1.784 ( 0.318 3.355 1.854) 3.846 2.024 ( -2.102 -1.496 3.571) 4.406 2.410 ( -2.013 0.356 -1.707) 2.664 2.722 ( -2.038 -2.071 -2.270) 3.687 3.008 ( 0.870 1.837 -1.208) 2.365 3.582 ( 5.170 -8.542 11.375) 15.136 4.541 ( -1.689 3.896 -5.896) 7.266 4.989 ( 5.736 -0.322 5.006) 7.620 5.117 ( -5.145 10.800 -11.974) 16.926 6.025 ( 0.314 -4.753 -8.394) 9.652 6.150 ( 3.208 -5.129 -7.937) 9.980 6.244 ( 4.265 -4.831 1.810) 6.694 6.903 ( 2.482 -0.472 0.811) 2.654 7.180 ( -0.798 0.756 -0.533) 1.222 7.501 ( -12.568 1.168 2.617) 12.891 7.658 ( 1.252 -1.214 -1.186) 2.109 8.115 ( 1.106 -1.309 6.188) 6.421 8.141 ( -4.249 1.231 0.362) 4.439 8.407 ( 10.746 -1.176 -4.941) 11.886 9.476 ( -2.001 -2.796 -3.913) 5.208 9.965 ( 4.214 4.107 2.013) 6.219 10.272 ( -0.658 -1.187 1.631) 2.122 10.668 ( -5.885 -0.960 -18.143) 19.097 11.900 ( -1.033 10.311 6.693) 12.336 12.099 ( 0.530 -0.838 4.912) 5.011 16.402 ( 1.087 5.478 2.563) 6.145 16.579 ( -0.990 2.726 -0.459) 2.936 17.094 ( 2.147 -1.106 5.750) 6.236 17.298 ( -0.331 0.023 -3.852) 3.866 17.438 ( 5.597 -3.853 5.626) 8.822 17.598 ( -1.158 0.566 0.953) 1.603 17.720 ( -10.176 -8.756 -10.212) 16.868 18.428 ( 3.137 8.207 -5.868) 10.566 ======================= Grid point 298 (154/250) ======================= q-point: (-0.11 -0.44 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( -12.513 -4.746 7.180) 15.187 1.309 ( -7.365 -7.524 4.429) 11.423 1.730 ( 2.737 1.992 7.548) 8.272 1.859 ( 7.089 -1.910 5.261) 9.033 2.067 ( -1.750 -3.734 4.918) 6.418 2.376 ( -2.226 0.200 -1.591) 2.743 2.705 ( -3.472 -1.249 -6.124) 7.149 2.981 ( 0.943 2.031 0.367) 2.270 3.818 ( 4.605 -7.886 5.241) 10.529 4.339 ( -9.441 8.790 -1.829) 13.029 4.791 ( -5.800 9.011 -10.864) 15.260 5.186 ( 14.347 -1.900 2.907) 14.761 6.083 ( 2.335 -3.259 -4.344) 5.912 6.245 ( 1.527 -7.538 -8.781) 11.673 6.399 ( 5.862 -4.804 3.643) 8.409 6.918 ( -0.494 1.320 0.969) 1.711 7.172 ( 0.818 -0.657 0.398) 1.123 7.386 ( -11.011 -1.236 2.219) 11.300 7.671 ( -2.077 -0.940 -0.070) 2.281 8.053 ( -6.385 1.139 -3.289) 7.272 8.187 ( 2.251 -0.938 8.995) 9.320 8.504 ( 11.043 1.117 -5.982) 12.608 9.485 ( -0.779 -2.428 -5.294) 5.876 9.951 ( 4.869 3.284 -1.013) 5.959 10.247 ( -2.376 1.546 -3.623) 4.600 10.641 ( -0.871 -8.145 -11.226) 13.897 11.691 ( -9.354 10.731 7.527) 16.103 12.132 ( 3.670 2.797 7.470) 8.780 16.301 ( -2.577 4.129 -2.262) 5.368 16.530 ( 0.099 3.147 3.463) 4.680 17.138 ( -0.278 -0.103 3.671) 3.683 17.249 ( -1.076 2.645 -1.008) 3.029 17.546 ( 1.000 0.292 3.525) 3.676 17.678 ( 5.111 -5.259 1.994) 7.599 17.764 ( -5.624 -11.832 -10.376) 16.712 18.285 ( 1.374 7.456 -1.160) 7.669 ======================= Grid point 305 (155/250) ======================= q-point: (-0.33 -0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( -13.886 0.000 6.831) 15.475 1.123 ( -13.774 0.000 11.390) 17.873 1.726 ( 5.571 -0.000 3.056) 6.355 1.727 ( -14.067 0.000 4.327) 14.718 2.074 ( 3.550 -0.000 -2.661) 4.437 2.411 ( -1.017 0.000 -0.993) 1.421 2.704 ( -1.295 0.000 0.447) 1.370 3.017 ( -1.218 0.000 0.055) 1.219 3.419 ( 7.219 -0.000 12.838) 14.728 4.578 ( 4.685 -0.000 -5.654) 7.343 5.030 ( 2.764 -0.000 9.121) 9.531 5.330 ( -11.033 0.000 -17.854) 20.988 5.904 ( 2.478 -0.000 -9.431) 9.751 6.052 ( 0.246 -0.000 -12.266) 12.268 6.160 ( 9.551 -0.000 4.036) 10.368 6.889 ( 2.418 -0.000 -0.110) 2.421 7.195 ( -1.162 0.000 0.017) 1.162 7.564 ( -11.509 0.000 5.354) 12.693 7.596 ( -5.315 0.000 -2.147) 5.732 8.080 ( 1.500 -0.000 3.690) 3.983 8.204 ( 4.393 -0.000 3.920) 5.887 8.352 ( 6.937 -0.000 -4.808) 8.440 9.424 ( -2.160 0.000 -2.361) 3.200 10.051 ( 3.656 -0.000 1.154) 3.834 10.236 ( -0.999 0.000 4.888) 4.989 10.668 ( -9.132 0.000 -20.569) 22.505 12.021 ( -5.195 0.000 5.478) 7.549 12.145 ( 8.247 -0.000 0.425) 8.258 16.575 ( 2.868 -0.000 1.235) 3.122 16.602 ( 2.793 -0.000 5.915) 6.542 17.104 ( 1.549 -0.000 2.830) 3.226 17.201 ( -2.486 0.000 -6.271) 6.746 17.368 ( 2.050 -0.000 2.011) 2.872 17.575 ( -8.448 0.000 -10.661) 13.602 17.619 ( -4.363 0.000 4.104) 5.989 18.604 ( 7.566 -0.000 -7.582) 10.711 ======================= Grid point 306 (156/250) ======================= q-point: (-0.22 -0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( -13.417 1.119 12.269) 18.215 1.059 ( -9.684 -4.321 12.237) 16.192 1.641 ( -12.497 -3.796 8.697) 15.691 1.827 ( 7.241 -1.756 2.727) 7.934 2.072 ( 4.215 2.946 -2.511) 5.723 2.399 ( -0.707 0.360 -0.678) 1.043 2.681 ( -1.364 0.376 -2.458) 2.836 3.020 ( 0.420 -0.362 -0.056) 0.557 3.580 ( 5.928 -4.206 10.817) 13.032 4.529 ( -4.704 2.011 -6.788) 8.500 5.030 ( -4.499 6.168 -8.786) 11.640 5.192 ( 3.160 -1.028 1.149) 3.516 5.915 ( 4.047 -2.209 -10.135) 11.134 6.071 ( 4.371 -4.158 -8.090) 10.092 6.298 ( 10.743 -1.166 4.501) 11.706 6.918 ( 1.874 -0.632 0.708) 2.101 7.176 ( -1.991 0.449 0.343) 2.070 7.416 ( -12.615 2.926 3.392) 13.387 7.563 ( -9.837 -4.516 1.484) 10.925 8.098 ( -0.053 0.724 1.000) 1.236 8.232 ( 3.524 3.353 5.855) 7.612 8.467 ( 12.655 -2.894 -5.409) 14.063 9.398 ( -1.842 -1.646 -5.022) 5.597 10.067 ( 2.979 2.307 0.747) 3.842 10.253 ( -1.950 -0.627 3.829) 4.342 10.490 ( -7.915 -1.309 -18.932) 20.561 11.952 ( -9.031 2.968 2.394) 9.803 12.199 ( 6.588 1.982 2.892) 7.463 16.496 ( -4.156 5.890 -4.544) 8.521 16.622 ( -0.249 1.650 4.187) 4.507 17.156 ( 5.183 1.109 6.803) 8.624 17.218 ( -1.868 -5.763 -5.108) 7.924 17.444 ( 3.345 -3.612 4.014) 6.352 17.477 ( -5.763 -2.652 -7.009) 9.454 17.603 ( -1.072 0.269 2.508) 2.741 18.584 ( 5.674 6.732 -6.300) 10.826 ======================= Grid point 307 (157/250) ======================= q-point: (-0.11 -0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.906 ( -11.345 -0.224 12.713) 17.040 1.137 ( -7.004 -6.363 9.691) 13.545 1.685 ( -7.608 -7.492 12.559) 16.485 1.943 ( 6.931 -0.431 2.614) 7.420 2.060 ( 3.449 1.036 -0.218) 3.607 2.374 ( -0.723 1.295 -0.585) 1.595 2.649 ( -0.245 0.123 -5.218) 5.225 3.021 ( 0.820 1.327 0.215) 1.574 3.768 ( 4.909 -6.299 6.257) 10.145 4.370 ( -7.315 6.123 -3.500) 10.162 4.802 ( -4.792 5.744 -13.171) 15.147 5.301 ( 6.279 -1.839 4.098) 7.721 5.987 ( 6.276 -5.253 -9.665) 12.665 6.168 ( 5.397 -3.258 -4.092) 7.516 6.445 ( 9.126 -1.333 4.396) 10.217 6.932 ( -1.323 1.197 -0.300) 1.809 7.153 ( -2.516 -1.694 1.579) 3.420 7.288 ( -9.676 0.486 5.604) 11.192 7.554 ( -8.892 -4.722 1.918) 10.249 8.054 ( -0.698 3.282 -2.476) 4.170 8.249 ( 1.873 1.129 8.501) 8.778 8.597 ( 11.140 -0.031 -7.363) 13.353 9.414 ( 1.933 -3.489 -6.770) 7.858 10.037 ( 0.844 3.529 -2.002) 4.144 10.226 ( -2.162 0.712 -2.957) 3.732 10.441 ( -3.155 -6.708 -8.158) 11.023 11.751 ( -12.191 7.765 1.605) 14.543 12.252 ( 4.369 0.968 5.396) 7.010 16.324 ( -4.629 4.511 -5.090) 8.227 16.604 ( -1.025 2.150 5.320) 5.829 17.186 ( 2.902 2.623 4.287) 5.804 17.255 ( -0.954 -0.959 -2.283) 2.654 17.434 ( -7.927 -7.417 -9.138) 14.190 17.580 ( 1.068 0.267 4.985) 5.105 17.674 ( 7.096 -6.511 2.352) 9.913 18.456 ( 3.174 9.637 -1.076) 10.203 ======================= Grid point 315 (158/250) ======================= q-point: (-0.22 -0.22 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( -11.247 0.000 15.087) 18.818 0.997 ( -4.990 0.000 17.031) 17.747 1.504 ( -14.222 0.000 14.688) 20.445 1.896 ( 7.014 -0.000 1.828) 7.248 2.135 ( 5.968 -0.000 -5.665) 8.228 2.392 ( -0.712 0.000 -1.312) 1.493 2.671 ( 0.083 -0.000 -2.201) 2.203 3.026 ( 1.529 -0.000 0.666) 1.668 3.646 ( 4.968 -0.000 9.315) 10.557 4.463 ( -5.303 0.000 -6.429) 8.334 4.990 ( -5.919 0.000 -16.932) 17.937 5.180 ( -0.002 0.000 2.892) 2.892 5.956 ( 9.608 -0.000 -3.994) 10.405 6.058 ( 8.905 -0.000 -6.746) 11.172 6.428 ( 11.750 -0.000 4.632) 12.630 6.932 ( 1.416 -0.000 0.817) 1.635 7.147 ( -5.819 0.000 0.446) 5.836 7.345 ( -17.056 0.000 2.743) 17.276 7.407 ( -5.068 0.000 6.321) 8.102 8.106 ( -1.984 0.000 1.977) 2.801 8.337 ( 3.239 -0.000 4.599) 5.625 8.546 ( 14.522 -0.000 -6.270) 15.818 9.340 ( -1.107 0.000 -6.093) 6.192 10.105 ( 0.604 -0.000 -1.396) 1.521 10.246 ( -3.225 0.000 5.872) 6.699 10.320 ( -4.879 0.000 -16.772) 17.468 11.897 ( -9.065 0.000 0.735) 9.095 12.260 ( 2.000 -0.000 -1.270) 2.369 16.458 ( -7.674 0.000 -8.121) 11.173 16.621 ( -4.353 0.000 0.877) 4.440 17.119 ( -1.238 0.000 -2.032) 2.379 17.292 ( 8.899 -0.000 8.309) 12.175 17.380 ( -4.089 0.000 -3.977) 5.704 17.471 ( 4.398 -0.000 5.907) 7.364 17.613 ( 0.547 -0.000 2.327) 2.390 18.684 ( 6.799 -0.000 -7.256) 9.944 ======================= Grid point 316 (159/250) ======================= q-point: (-0.11 -0.22 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.906 ( -7.617 3.111 16.348) 18.301 1.054 ( -5.317 -2.437 14.951) 16.054 1.528 ( -8.348 -7.104 19.033) 21.964 1.984 ( 4.996 -1.962 1.608) 5.603 2.141 ( 5.320 3.115 -5.487) 8.253 2.372 ( -1.083 -0.027 -2.632) 2.846 2.660 ( 2.596 1.375 -2.255) 3.703 3.048 ( 1.786 0.256 0.731) 1.946 3.759 ( 3.861 -3.410 6.754) 8.494 4.367 ( -4.529 2.483 -4.471) 6.831 4.802 ( -2.469 6.233 -14.945) 16.380 5.225 ( -4.644 -6.916 -3.181) 8.917 6.033 ( 12.546 1.384 -2.975) 12.968 6.178 ( 9.770 -2.715 -2.506) 10.445 6.563 ( 10.434 0.608 4.898) 11.543 6.935 ( -2.053 1.886 -1.404) 3.121 7.081 ( -5.628 -2.388 2.409) 6.571 7.195 ( -15.546 -1.189 6.382) 16.847 7.451 ( 0.869 -2.382 6.894) 7.346 8.070 ( -3.611 1.292 -0.158) 3.838 8.338 ( 0.313 3.112 5.479) 6.308 8.671 ( 11.520 -0.527 -8.075) 14.078 9.344 ( 2.850 -3.321 -6.901) 8.172 10.062 ( -2.734 2.070 -3.658) 5.014 10.212 ( -1.233 0.844 -0.502) 1.577 10.300 ( 0.569 -4.106 -4.746) 6.302 11.748 ( -10.927 5.366 -0.733) 12.195 12.265 ( -1.769 -1.994 -2.216) 3.466 16.318 ( -4.452 3.121 -5.802) 7.952 16.583 ( -5.974 -1.648 -0.115) 6.198 17.145 ( -1.451 -4.621 -2.667) 5.529 17.309 ( -3.569 0.315 -2.285) 4.249 17.354 ( 6.485 6.112 6.543) 11.055 17.624 ( 3.681 -2.436 8.622) 9.686 17.639 ( 3.852 -3.398 -0.036) 5.137 18.648 ( 5.352 7.650 -3.648) 10.024 ======================= Grid point 325 (160/250) ======================= q-point: (-0.11 -0.11 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( -4.667 0.000 15.908) 16.578 1.051 ( -5.931 0.000 16.156) 17.210 1.507 ( -1.646 0.000 23.961) 24.018 2.012 ( 2.973 -0.000 1.265) 3.231 2.198 ( 5.256 -0.000 -7.852) 9.449 2.335 ( -1.681 0.000 -4.990) 5.265 2.707 ( 4.437 -0.000 -0.217) 4.443 3.076 ( 2.177 -0.000 1.294) 2.533 3.788 ( 1.459 -0.000 6.704) 6.861 4.324 ( -3.340 0.000 -5.493) 6.429 4.815 ( 4.027 -0.000 -16.458) 16.943 5.035 ( -10.422 0.000 -6.013) 12.032 6.170 ( 9.617 -0.000 0.595) 9.635 6.265 ( 13.328 -0.000 -2.084) 13.490 6.702 ( 8.930 -0.000 5.251) 10.360 6.949 ( -2.119 0.000 -3.616) 4.191 6.973 ( -6.735 0.000 0.397) 6.747 7.061 ( -11.332 0.000 13.300) 17.473 7.517 ( 6.243 -0.000 9.419) 11.300 8.029 ( -5.941 0.000 -0.101) 5.942 8.368 ( -4.006 0.000 3.741) 5.482 8.741 ( 8.997 -0.000 -8.896) 12.653 9.329 ( 6.189 -0.000 -4.679) 7.759 10.029 ( -3.273 0.000 -4.426) 5.504 10.195 ( -6.714 0.000 5.277) 8.540 10.303 ( 12.712 -0.000 -6.708) 14.374 11.687 ( -10.257 0.000 -1.835) 10.420 12.158 ( -7.932 0.000 -8.428) 11.574 16.295 ( -0.264 0.000 -4.293) 4.302 16.482 ( -7.064 0.000 -2.475) 7.485 17.090 ( -1.042 0.000 -0.365) 1.104 17.264 ( -3.867 0.000 -1.421) 4.120 17.536 ( 6.060 -0.000 4.283) 7.421 17.609 ( 3.242 -0.000 1.582) 3.607 17.703 ( 4.614 -0.000 9.477) 10.541 18.759 ( 6.046 -0.000 -4.931) 7.802 ======================= Grid point 326 (161/250) ======================= q-point: ( 0.00 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.278 ( -2.355 0.000 11.075) 11.322 1.409 ( 0.687 -0.000 12.140) 12.159 1.958 ( -0.501 0.000 -2.350) 2.403 1.970 ( -0.846 0.000 -7.690) 7.736 2.180 ( 3.626 -0.000 3.974) 5.379 2.231 ( 4.612 -0.000 3.650) 5.882 2.820 ( 3.588 -0.000 0.586) 3.635 3.117 ( 2.052 -0.000 -2.576) 3.294 3.945 ( -3.294 0.000 6.183) 7.006 4.014 ( -10.599 0.000 -4.744) 11.612 4.564 ( 11.152 -0.000 -11.192) 15.800 4.679 ( -5.794 0.000 -4.424) 7.290 6.315 ( -2.811 0.000 4.348) 5.178 6.476 ( 6.761 -0.000 0.328) 6.769 6.744 ( -5.201 0.000 0.149) 5.203 6.851 ( 3.066 -0.000 -0.975) 3.217 7.221 ( 11.837 -0.000 6.169) 13.348 7.385 ( 0.966 -0.000 7.865) 7.924 7.849 ( -4.548 0.000 -0.818) 4.621 7.862 ( 5.732 -0.000 3.093) 6.513 8.440 ( -4.233 0.000 7.283) 8.424 8.579 ( -2.023 0.000 -4.640) 5.062 9.461 ( 12.620 -0.000 -1.951) 12.770 9.717 ( -5.773 0.000 -9.795) 11.370 10.167 ( -10.488 0.000 5.314) 11.758 10.569 ( 23.186 -0.000 -5.067) 23.733 11.418 ( -4.697 0.000 -2.813) 5.475 11.558 ( -14.157 0.000 -11.439) 18.201 16.278 ( -5.417 0.000 -1.464) 5.611 16.316 ( 6.285 -0.000 -2.040) 6.608 17.087 ( -0.755 0.000 1.604) 1.773 17.171 ( -3.262 0.000 -0.423) 3.289 17.605 ( 0.720 -0.000 -1.036) 1.261 17.619 ( 1.166 -0.000 -1.495) 1.896 18.178 ( 2.843 -0.000 12.814) 13.126 18.759 ( 4.832 -0.000 -5.334) 7.198 ======================= Grid point 327 (162/250) ======================= q-point: ( 0.11 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( -1.266 -0.145 10.366) 10.444 1.506 ( 5.142 -1.867 10.975) 12.263 1.882 ( -1.171 3.820 -6.300) 7.460 1.958 ( 0.203 -0.509 -3.569) 3.611 2.203 ( 3.653 2.032 2.413) 4.827 2.321 ( 3.174 -1.828 2.405) 4.382 2.841 ( 3.002 1.239 -0.919) 3.375 3.104 ( 0.826 1.637 -3.688) 4.119 3.880 ( -10.482 -1.098 -1.611) 10.662 3.966 ( -10.087 -5.228 6.274) 12.979 4.517 ( 5.432 5.902 -4.075) 8.997 4.759 ( 6.475 -6.798 -9.925) 13.662 6.279 ( -4.982 1.373 4.638) 6.944 6.529 ( 5.038 0.728 -0.182) 5.094 6.707 ( -2.966 -0.921 -0.809) 3.210 6.896 ( 4.950 0.213 0.821) 5.022 7.317 ( 9.626 3.925 6.592) 12.309 7.418 ( -3.407 -0.915 -1.847) 3.982 7.839 ( 2.749 -0.184 3.047) 4.108 7.914 ( 4.340 0.696 0.495) 4.423 8.416 ( -5.225 1.718 6.683) 8.655 8.520 ( -4.609 0.448 -1.919) 5.013 9.543 ( 7.260 2.035 -2.430) 7.922 9.652 ( -0.670 -2.214 -10.229) 10.488 10.091 ( -8.846 -0.568 4.222) 9.818 10.770 ( 21.706 1.233 -5.502) 22.426 11.310 ( -5.782 1.308 -0.360) 5.939 11.525 ( -7.533 -10.347 -7.564) 14.867 16.227 ( -4.444 -0.646 -0.994) 4.599 16.363 ( 4.408 -0.027 -2.390) 5.015 17.095 ( -0.525 -0.446 1.779) 1.908 17.148 ( -2.383 -1.176 -0.156) 2.662 17.602 ( 3.045 0.966 -0.467) 3.228 17.633 ( -0.618 -0.975 -2.092) 2.390 18.219 ( 1.848 3.629 11.584) 12.280 18.736 ( 2.170 3.923 -6.791) 8.137 ======================= Grid point 328 (163/250) ======================= q-point: ( 0.22 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( -1.013 -1.169 8.826) 8.961 1.665 ( 8.854 -1.780 7.242) 11.576 1.755 ( -2.670 5.255 -1.200) 6.015 1.957 ( 1.154 0.481 -0.637) 1.403 2.220 ( 2.853 0.706 1.090) 3.135 2.353 ( 1.139 0.578 -2.765) 3.046 2.831 ( 1.401 1.959 -2.218) 3.274 3.047 ( -0.170 2.968 -4.782) 5.630 3.808 ( -9.881 -3.980 -2.689) 10.987 4.002 ( -11.358 -7.686 7.840) 15.797 4.487 ( 3.343 2.123 2.034) 4.451 4.898 ( 11.880 -3.656 -11.015) 16.608 6.222 ( -4.095 1.888 4.900) 6.659 6.551 ( 3.980 2.006 -1.385) 4.667 6.699 ( -2.914 -2.105 -1.552) 3.915 6.927 ( 4.561 3.389 1.237) 5.815 7.329 ( -5.604 1.787 -4.930) 7.675 7.374 ( 8.280 2.565 4.710) 9.865 7.849 ( -1.522 2.787 -2.738) 4.193 7.979 ( 5.924 -2.126 0.772) 6.341 8.348 ( -2.406 3.008 6.761) 7.781 8.461 ( -6.205 0.349 1.728) 6.450 9.532 ( -0.824 0.140 -5.101) 5.169 9.670 ( 4.149 -1.287 -6.819) 8.085 10.055 ( -3.725 -1.326 1.885) 4.380 10.905 ( 18.811 4.229 -7.889) 20.832 11.301 ( -6.282 -5.799 5.222) 10.018 11.642 ( -1.608 -10.990 -1.973) 11.281 16.197 ( -3.473 -0.964 -0.913) 3.718 16.388 ( 1.898 -0.415 -1.601) 2.517 17.099 ( -2.214 -0.982 1.859) 3.053 17.167 ( 0.347 -1.816 0.312) 1.874 17.602 ( 0.419 1.622 -1.617) 2.328 17.648 ( 2.692 -1.280 -0.675) 3.057 18.213 ( 1.302 4.316 9.717) 10.712 18.603 ( -0.641 8.112 -8.637) 11.866 ======================= Grid point 329 (164/250) ======================= q-point: ( 0.33 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( -2.419 -1.750 5.601) 6.347 1.570 ( -3.449 8.225 -0.003) 8.919 1.868 ( 9.922 -2.319 8.046) 12.983 1.955 ( 1.510 2.002 3.417) 4.238 2.233 ( -0.871 0.177 -1.008) 1.344 2.328 ( 2.624 0.555 -5.580) 6.191 2.766 ( -3.673 3.208 -3.337) 5.909 2.975 ( 1.016 2.670 -4.366) 5.218 3.789 ( -6.890 -5.191 -3.956) 9.491 4.058 ( -9.909 -7.527 5.667) 13.673 4.531 ( 0.836 -1.911 8.240) 8.500 5.034 ( 15.243 -1.370 -8.935) 17.722 6.180 ( -1.910 1.744 4.366) 5.075 6.510 ( 1.572 4.988 -5.334) 7.470 6.690 ( -2.767 -0.112 -2.246) 3.566 6.863 ( -0.165 4.737 -2.182) 5.218 7.268 ( 0.128 0.916 2.011) 2.213 7.445 ( 6.754 0.037 1.971) 7.036 7.716 ( -6.547 3.983 -4.661) 8.970 8.042 ( -1.103 -1.676 -4.253) 4.703 8.352 ( 1.953 1.271 8.103) 8.432 8.406 ( -2.047 1.111 3.945) 4.581 9.486 ( -2.588 0.097 -6.295) 6.807 9.713 ( 2.611 -2.408 -3.799) 5.201 10.069 ( 0.619 -1.497 -1.047) 1.929 10.924 ( 14.044 8.202 -11.117) 19.700 11.391 ( -9.026 -9.345 6.642) 14.591 11.858 ( 4.891 -10.568 6.818) 13.494 16.180 ( -2.411 -1.024 -1.204) 2.883 16.417 ( 0.873 -1.950 0.931) 2.331 17.108 ( -2.627 -2.013 1.930) 3.831 17.205 ( 0.939 -1.138 1.197) 1.900 17.563 ( -0.744 1.407 -1.416) 2.130 17.705 ( 4.112 -1.178 -1.011) 4.395 18.158 ( -3.684 5.595 0.836) 6.750 18.405 ( 1.683 9.251 -4.118) 10.266 ======================= Grid point 330 (165/250) ======================= q-point: (-0.56 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.369 ( -5.361 3.471 -0.188) 6.389 1.419 ( -4.305 4.428 6.510) 8.973 1.950 ( 1.279 2.080 5.905) 6.390 2.008 ( 7.076 0.795 3.143) 7.783 2.200 ( -0.344 -0.650 -1.834) 1.976 2.362 ( 4.668 -0.813 -1.647) 5.017 2.621 ( -7.731 3.993 -4.194) 9.660 2.943 ( 1.707 0.942 -3.173) 3.724 3.803 ( -2.617 -4.430 -5.762) 7.725 4.101 ( -7.814 -5.627 3.296) 10.177 4.622 ( -1.556 -3.164 10.249) 10.838 5.188 ( 15.572 -1.549 -3.181) 15.969 6.158 ( 0.182 2.086 1.476) 2.562 6.345 ( -1.570 8.870 -10.996) 14.214 6.622 ( -0.611 3.604 0.059) 3.656 6.812 ( -2.066 -1.105 -3.468) 4.185 7.286 ( 2.465 1.272 5.854) 6.478 7.491 ( 0.510 2.268 1.296) 2.661 7.618 ( 0.279 -1.170 -2.076) 2.400 7.963 ( -10.520 0.357 -5.678) 11.960 8.381 ( 3.299 -0.431 -0.666) 3.393 8.443 ( 3.170 1.097 10.846) 11.353 9.427 ( -0.229 1.260 -7.613) 7.720 9.771 ( -0.381 -4.204 -1.479) 4.473 10.097 ( 2.343 -0.796 -3.130) 3.990 10.820 ( 7.178 10.253 -10.287) 16.201 11.474 ( -10.089 -8.416 4.249) 13.808 12.136 ( 7.300 -8.182 11.040) 15.560 16.170 ( -1.665 -0.985 -1.836) 2.667 16.495 ( 1.758 -4.114 4.930) 6.658 17.131 ( -2.495 -2.541 1.771) 3.977 17.228 ( 0.012 0.026 1.849) 1.849 17.534 ( -0.704 0.226 -2.294) 2.410 17.747 ( 2.370 0.276 -2.543) 3.487 17.925 ( -6.955 9.251 -9.493) 14.969 18.341 ( 5.530 4.173 5.110) 8.608 ======================= Grid point 331 (166/250) ======================= q-point: (-0.44 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( -4.665 5.034 8.267) 10.745 1.329 ( -6.275 1.820 1.686) 6.748 1.958 ( 1.250 1.372 2.833) 3.387 2.010 ( -1.189 1.816 1.988) 2.943 2.266 ( 6.588 -1.034 2.741) 7.210 2.392 ( -0.901 2.778 5.139) 5.911 2.474 ( -2.664 0.693 -8.987) 9.399 2.946 ( 1.314 -1.034 -2.537) 3.038 3.833 ( 2.005 -2.538 -6.700) 7.440 4.126 ( -6.121 -4.247 1.961) 7.704 4.666 ( -3.375 0.093 6.544) 7.363 5.368 ( 9.265 -2.754 3.869) 10.412 6.026 ( 1.215 9.202 -14.935) 17.584 6.226 ( 1.845 1.503 2.065) 3.151 6.587 ( 3.276 2.214 1.731) 4.317 6.795 ( -4.263 -2.306 -3.992) 6.279 7.320 ( 2.212 0.790 5.841) 6.296 7.433 ( 0.484 4.336 3.303) 5.472 7.665 ( -2.283 -0.691 1.318) 2.726 7.831 ( -7.104 -2.204 -6.350) 9.780 8.424 ( 1.583 -1.979 -2.560) 3.603 8.498 ( 3.692 1.848 9.739) 10.578 9.371 ( 2.967 2.635 -8.702) 9.564 9.831 ( -2.913 -5.016 -0.681) 5.840 10.115 ( 3.671 0.340 -4.250) 5.626 10.649 ( 1.110 9.410 -5.979) 11.204 11.513 ( -9.634 -6.225 2.041) 11.650 12.342 ( 4.192 -2.891 7.487) 9.055 16.164 ( -0.905 -0.991 -2.076) 2.472 16.622 ( 1.072 -4.241 7.014) 8.267 17.160 ( -1.116 -2.525 1.866) 3.332 17.226 ( -0.695 0.154 0.355) 0.795 17.473 ( -4.574 3.655 -8.295) 10.153 17.646 ( -1.306 3.927 -1.399) 4.369 17.805 ( 1.664 0.979 -2.848) 3.441 18.383 ( 5.619 0.619 5.287) 7.740 ======================= Grid point 332 (167/250) ======================= q-point: (-0.33 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( -4.125 1.954 13.748) 14.486 1.281 ( -3.599 -0.897 5.182) 6.373 1.926 ( -2.204 2.362 1.671) 3.638 1.992 ( -1.173 -0.400 0.249) 1.265 2.273 ( -1.292 6.314 6.359) 9.054 2.342 ( -0.322 1.027 -0.998) 1.468 2.505 ( 6.559 -3.440 -3.542) 8.210 2.982 ( 1.994 -2.308 -2.250) 3.790 3.871 ( 5.860 -0.436 -5.803) 8.259 4.148 ( -4.206 -4.108 0.232) 5.884 4.608 ( -5.352 3.231 2.067) 6.585 5.386 ( -6.415 5.045 -2.617) 8.570 5.947 ( 13.203 0.385 -5.359) 14.254 6.257 ( 3.778 0.392 3.400) 5.098 6.630 ( 6.353 -0.264 2.837) 6.962 6.773 ( -4.837 -2.746 -3.431) 6.535 7.307 ( -2.913 4.987 3.867) 6.950 7.404 ( 0.625 2.082 6.299) 6.663 7.600 ( -2.481 1.052 1.968) 3.337 7.863 ( -1.080 -5.568 -4.492) 7.236 8.450 ( -1.615 -1.748 0.300) 2.399 8.546 ( 4.307 1.122 4.640) 6.430 9.316 ( 4.609 3.638 -8.627) 10.436 9.876 ( -3.605 -4.511 -1.368) 5.935 10.131 ( 6.427 1.091 -4.500) 7.921 10.486 ( -2.789 6.350 -0.736) 6.974 11.513 ( -8.908 -4.384 -0.000) 9.928 12.364 ( -2.156 3.647 -0.423) 4.257 16.170 ( 0.583 -1.039 -1.741) 2.110 16.648 ( -5.651 1.551 0.406) 5.874 17.202 ( -0.737 1.248 -2.836) 3.185 17.253 ( 2.716 -4.344 3.366) 6.130 17.329 ( -1.391 2.150 -0.121) 2.564 17.653 ( 2.180 -1.624 3.154) 4.164 17.787 ( -0.156 0.803 -2.335) 2.474 18.476 ( 5.682 -2.184 3.365) 6.955 ======================= Grid point 333 (168/250) ======================= q-point: (-0.22 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( -3.213 -0.580 14.095) 14.468 1.321 ( -1.823 -1.764 10.824) 11.117 1.888 ( -2.558 0.280 6.474) 6.967 1.989 ( -0.808 -1.687 -5.011) 5.349 2.191 ( -0.306 4.446 3.193) 5.483 2.283 ( 0.551 4.054 -2.515) 4.802 2.640 ( 6.391 -3.837 0.956) 7.516 3.039 ( 2.864 -2.188 -2.189) 4.217 3.911 ( 6.619 1.179 -2.624) 7.217 4.182 ( -1.912 -3.448 -3.004) 4.957 4.492 ( -6.250 2.077 -1.167) 6.688 5.135 ( -8.597 9.139 -8.944) 15.409 6.131 ( 11.593 -3.920 3.278) 12.669 6.312 ( 5.237 0.342 3.102) 6.096 6.740 ( 3.046 -2.833 3.915) 5.712 6.774 ( 1.617 -2.683 -2.522) 4.021 7.154 ( -7.051 5.994 1.374) 9.355 7.390 ( -0.877 3.363 9.572) 10.184 7.650 ( 6.584 -1.239 3.942) 7.773 7.907 ( -4.364 -4.545 -3.678) 7.296 8.460 ( -2.820 -1.018 3.400) 4.533 8.584 ( 2.815 -0.066 -0.687) 2.898 9.282 ( 7.148 2.520 -6.042) 9.693 9.887 ( -4.373 -2.420 -4.465) 6.702 10.187 ( 10.384 0.192 -2.507) 10.684 10.369 ( -3.646 3.623 1.996) 5.514 11.487 ( -8.277 -3.486 -2.113) 9.227 12.177 ( -8.684 8.668 -7.938) 14.614 16.199 ( 2.832 -1.038 -1.327) 3.295 16.509 ( -7.330 3.909 -3.686) 9.088 17.145 ( -1.641 2.079 -0.811) 2.770 17.249 ( -2.489 0.514 -0.393) 2.572 17.453 ( 5.041 -4.336 4.201) 7.865 17.708 ( 3.350 2.813 -1.774) 4.720 17.820 ( 0.980 -6.754 8.967) 11.269 18.594 ( 5.776 -3.376 0.028) 6.690 ======================= Grid point 334 (169/250) ======================= q-point: (-0.11 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( -3.032 -0.673 12.174) 12.564 1.369 ( -1.788 0.296 12.408) 12.540 1.931 ( -0.995 -2.759 5.753) 6.458 1.992 ( -0.391 -1.892 -5.072) 5.427 2.140 ( 2.104 2.028 -2.106) 3.602 2.225 ( 2.678 3.843 1.911) 5.059 2.756 ( 4.744 -2.063 1.525) 5.393 3.090 ( 2.884 -1.292 -2.180) 3.839 3.939 ( 2.909 1.187 1.812) 3.627 4.147 ( -6.011 1.462 -4.626) 7.724 4.466 ( 1.047 -4.720 -5.841) 7.582 4.863 ( -6.298 8.181 -8.183) 13.173 6.282 ( 2.578 -2.228 4.575) 5.705 6.388 ( 8.293 -0.128 1.480) 8.425 6.768 ( -3.899 -2.657 0.715) 4.772 6.863 ( 2.001 0.767 -1.552) 2.646 7.068 ( 5.216 0.169 5.482) 7.569 7.370 ( 0.470 3.449 10.178) 10.757 7.767 ( 7.073 -1.172 4.687) 8.566 7.897 ( -6.320 -2.446 -2.679) 7.287 8.454 ( -3.772 0.059 5.478) 6.651 8.598 ( 0.470 -0.807 -4.116) 4.221 9.338 ( 11.254 -0.162 -2.946) 11.634 9.825 ( -5.788 0.090 -7.845) 9.749 10.243 ( -7.788 -0.315 5.521) 9.552 10.370 ( 18.686 1.144 -4.282) 19.204 11.452 ( -7.380 -3.468 -3.739) 8.971 11.855 ( -12.849 9.212 -11.461) 19.527 16.251 ( 4.884 -0.970 -1.376) 5.166 16.369 ( -5.768 2.461 -2.742) 6.845 17.102 ( -1.531 1.072 1.035) 2.136 17.210 ( -2.927 0.459 -0.655) 3.034 17.557 ( 2.174 -2.758 0.524) 3.551 17.658 ( 0.592 2.965 -2.423) 3.874 18.031 ( 4.576 -5.460 13.680) 15.424 18.699 ( 5.740 -2.542 -3.447) 7.162 ======================= Grid point 336 (170/250) ======================= q-point: ( 0.11 0.11 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( -0.877 0.000 10.501) 10.537 1.599 ( 8.026 -0.000 9.016) 12.071 1.891 ( -0.397 0.000 -5.394) 5.409 1.930 ( 2.723 -0.000 -7.641) 8.112 2.271 ( 1.956 -0.000 2.449) 3.134 2.352 ( 3.691 -0.000 1.569) 4.011 2.871 ( 1.989 -0.000 -1.814) 2.692 3.101 ( -0.829 0.000 -4.442) 4.519 3.737 ( -12.325 0.000 -1.403) 12.404 3.836 ( -14.183 0.000 12.226) 18.726 4.571 ( -2.010 0.000 -2.337) 3.082 4.792 ( 20.357 -0.000 -12.867) 24.082 6.256 ( -5.431 0.000 5.156) 7.489 6.582 ( 4.620 -0.000 -0.766) 4.683 6.651 ( -4.195 0.000 -2.526) 4.897 6.978 ( 8.066 -0.000 2.386) 8.411 7.330 ( -6.957 0.000 -5.728) 9.012 7.488 ( 8.717 -0.000 5.273) 10.188 7.895 ( 5.592 -0.000 1.958) 5.925 7.939 ( -0.363 0.000 -1.263) 1.314 8.414 ( -5.147 0.000 9.135) 10.485 8.465 ( -5.240 0.000 -0.770) 5.296 9.550 ( 0.153 -0.000 -12.616) 12.617 9.637 ( 2.895 -0.000 -0.813) 3.007 10.034 ( -3.370 0.000 2.745) 4.346 10.963 ( 15.007 -0.000 -0.112) 15.008 11.243 ( -2.919 0.000 -13.943) 14.246 11.385 ( 1.215 -0.000 4.467) 4.630 16.179 ( -3.102 0.000 -0.477) 3.138 16.384 ( 1.544 -0.000 -2.531) 2.965 17.106 ( -2.736 0.000 0.160) 2.741 17.107 ( 0.983 -0.000 2.253) 2.458 17.613 ( -0.904 0.000 -0.931) 1.298 17.648 ( 5.255 -0.000 -1.242) 5.400 18.296 ( -1.290 0.000 9.260) 9.350 18.755 ( 0.754 -0.000 -8.766) 8.798 ======================= Grid point 337 (171/250) ======================= q-point: ( 0.22 0.11 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( -1.062 0.384 9.403) 9.470 1.752 ( 9.691 -2.323 6.297) 11.788 1.826 ( 0.523 4.504 -2.335) 5.100 1.948 ( 3.435 -1.497 -6.604) 7.593 2.275 ( 0.551 1.706 1.330) 2.232 2.373 ( 1.921 1.077 -2.521) 3.347 2.862 ( 0.406 1.846 -2.304) 2.980 3.050 ( -2.210 1.182 -5.082) 5.666 3.640 ( -9.909 -2.503 0.587) 10.237 3.792 ( -14.730 -5.567 13.443) 20.705 4.540 ( 0.915 1.133 -0.451) 1.524 4.969 ( 20.539 -1.759 -12.457) 24.086 6.224 ( -4.006 0.678 5.276) 6.659 6.592 ( -3.596 -0.175 -3.638) 5.118 6.625 ( 2.220 -0.649 -1.552) 2.785 7.039 ( 2.719 2.900 0.234) 3.982 7.243 ( -2.077 -0.933 -5.791) 6.223 7.554 ( 7.149 3.720 4.684) 9.321 7.851 ( -6.062 3.453 -3.995) 8.039 7.971 ( 0.408 -2.548 -2.779) 3.793 8.397 ( -2.344 1.074 8.315) 8.706 8.429 ( -2.856 0.171 4.446) 5.288 9.504 ( 1.717 0.923 -10.337) 10.519 9.639 ( -2.435 -1.669 -2.020) 3.577 10.046 ( 3.018 -0.120 0.560) 3.072 11.082 ( 2.156 -2.213 9.650) 10.133 11.196 ( 9.667 1.813 -19.259) 21.625 11.513 ( 4.735 -7.313 6.822) 11.065 16.157 ( -1.510 -0.308 -0.271) 1.564 16.378 ( -1.115 -0.444 -1.363) 1.816 17.078 ( -2.097 0.221 1.165) 2.409 17.149 ( 1.408 -1.673 1.754) 2.803 17.593 ( -2.199 0.130 -0.996) 2.417 17.704 ( 7.667 0.704 -1.129) 7.782 18.290 ( -3.315 2.007 6.777) 7.807 18.668 ( -1.183 4.493 -10.286) 11.287 ======================= Grid point 338 (172/250) ======================= q-point: ( 0.33 0.11 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.386 ( -2.548 0.585 6.136) 6.669 1.704 ( 0.743 8.088 0.508) 8.138 1.940 ( 6.729 -3.417 5.364) 9.259 1.992 ( 5.729 -1.304 -2.985) 6.590 2.222 ( -3.499 2.382 -3.371) 5.411 2.359 ( 3.256 1.044 -2.782) 4.408 2.774 ( -5.037 4.331 -2.482) 7.091 2.993 ( -0.507 1.121 -4.240) 4.415 3.627 ( -5.314 -4.550 0.625) 7.024 3.840 ( -11.489 -8.526 11.433) 18.314 4.558 ( 2.408 -0.356 3.848) 4.553 5.149 ( 19.523 -1.141 -10.691) 22.288 6.199 ( -2.354 0.830 4.210) 4.894 6.525 ( -5.431 0.416 -6.338) 8.357 6.649 ( 2.066 -0.107 -2.058) 2.918 6.909 ( -6.773 4.898 -6.957) 10.875 7.299 ( 6.851 -0.711 2.777) 7.427 7.566 ( 5.100 3.812 2.574) 6.868 7.683 ( -8.374 3.305 -3.775) 9.762 7.951 ( -7.025 -1.343 -5.816) 9.219 8.390 ( -2.063 0.695 3.757) 4.342 8.461 ( 3.241 0.049 9.026) 9.590 9.460 ( 1.168 1.220 -5.875) 6.113 9.646 ( -1.514 -3.146 -4.565) 5.747 10.086 ( 4.706 0.210 -1.078) 4.832 11.151 ( 11.698 6.709 -20.268) 24.345 11.194 ( -3.837 -5.900 11.705) 13.658 11.780 ( 7.672 -10.744 11.434) 17.465 16.152 ( -0.188 -0.151 -0.449) 0.509 16.384 ( -1.322 -2.185 1.512) 2.968 17.067 ( -2.048 -0.716 1.758) 2.793 17.201 ( 1.360 -1.484 1.841) 2.728 17.555 ( -2.699 0.525 -1.420) 3.095 17.764 ( 7.990 1.222 -1.280) 8.183 18.197 ( -6.649 5.409 -0.894) 8.618 18.523 ( -0.350 5.273 -6.369) 8.276 ======================= Grid point 339 (173/250) ======================= q-point: ( 0.44 0.11 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( -4.259 1.584 1.586) 4.813 1.565 ( -0.272 9.622 5.100) 10.894 2.006 ( 0.668 0.109 3.272) 3.342 2.056 ( -0.768 1.365 -4.150) 4.435 2.174 ( 2.995 -2.842 -0.224) 4.135 2.392 ( 5.423 -0.775 -2.534) 6.036 2.613 ( -7.223 5.088 -1.431) 8.950 2.956 ( -0.006 1.079 -3.228) 3.403 3.684 ( -0.360 -5.038 -0.812) 5.116 3.932 ( -7.029 -7.637 7.517) 12.815 4.628 ( 2.120 -1.411 7.908) 8.307 5.309 ( 15.709 -0.690 -6.589) 17.049 6.182 ( -0.865 0.701 0.160) 1.125 6.385 ( -5.669 4.851 -10.044) 12.512 6.647 ( 1.092 0.913 -1.814) 2.306 6.751 ( -6.734 0.901 -5.505) 8.745 7.357 ( 1.755 1.972 4.979) 5.636 7.575 ( 3.653 -0.889 -2.166) 4.338 7.592 ( 0.022 2.307 3.619) 4.292 7.835 ( -10.397 0.743 -5.839) 11.948 8.374 ( -2.084 -0.511 -0.448) 2.192 8.538 ( 3.290 0.243 9.234) 9.805 9.440 ( 4.596 1.470 -6.065) 7.750 9.671 ( -2.483 -3.938 -2.799) 5.432 10.121 ( 4.379 0.341 -2.114) 4.874 11.011 ( 5.618 9.555 -17.648) 20.840 11.302 ( -3.843 -5.059 10.316) 12.116 12.104 ( 7.349 -10.111 12.411) 17.615 16.151 ( 0.535 0.144 -0.833) 1.000 16.454 ( 0.642 -4.577 5.525) 7.203 17.076 ( -2.105 -1.736 2.153) 3.475 17.233 ( -0.040 -0.280 1.822) 1.843 17.511 ( -2.597 0.380 -2.871) 3.890 17.804 ( 6.370 2.344 -2.212) 7.139 17.966 ( -7.288 8.513 -7.817) 13.664 18.449 ( 1.024 2.384 -0.331) 2.615 ======================= Grid point 340 (174/250) ======================= q-point: (-0.44 0.11 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.280 ( -3.348 1.543 0.584) 3.732 1.412 ( -1.974 9.408 7.582) 12.243 1.972 ( -3.755 0.844 -2.225) 4.445 2.010 ( -4.191 0.483 3.638) 5.571 2.284 ( 3.120 -3.277 2.564) 5.201 2.448 ( 4.626 0.142 -7.600) 8.898 2.470 ( -1.259 3.828 2.862) 4.943 2.932 ( 0.143 -0.124 -2.787) 2.794 3.778 ( 4.119 -4.364 -2.680) 6.572 4.015 ( -3.477 -4.752 4.590) 7.466 4.689 ( 0.126 0.757 7.627) 7.666 5.420 ( 5.075 -0.586 -1.053) 5.216 6.100 ( 1.858 5.340 -16.543) 17.483 6.258 ( -1.499 0.722 2.939) 3.378 6.645 ( 3.045 0.724 -0.707) 3.208 6.680 ( -6.681 -2.414 -3.454) 7.899 7.353 ( -1.592 0.554 4.854) 5.138 7.569 ( 2.718 3.457 3.533) 5.641 7.642 ( -1.247 0.244 0.476) 1.357 7.709 ( -2.173 -1.119 -4.444) 5.071 8.361 ( -3.729 -2.367 -2.550) 5.100 8.595 ( 2.040 0.792 7.753) 8.055 9.435 ( 7.680 2.985 -8.681) 11.969 9.709 ( -3.427 -4.711 0.193) 5.829 10.148 ( 4.179 0.255 -2.443) 4.848 10.796 ( 0.719 10.389 -12.612) 16.355 11.376 ( -4.243 -3.294 8.822) 10.329 12.343 ( 2.878 -5.062 7.736) 9.683 16.155 ( 1.567 0.101 -0.731) 1.732 16.582 ( 0.260 -4.670 7.167) 8.558 17.108 ( -1.090 -3.083 3.139) 4.532 17.225 ( -0.989 0.690 -0.438) 1.283 17.446 ( -3.576 1.945 -5.527) 6.864 17.709 ( -2.618 6.038 -2.533) 7.052 17.843 ( 4.247 2.363 -3.711) 6.115 18.443 ( 1.191 -0.139 0.727) 1.403 ======================= Grid point 341 (175/250) ======================= q-point: (-0.33 0.11 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( -0.220 -0.313 3.669) 3.689 1.302 ( -1.190 5.737 12.008) 13.361 1.921 ( -3.991 -0.267 -0.796) 4.078 1.952 ( -7.132 0.717 2.874) 7.722 2.301 ( -4.096 1.222 1.952) 4.699 2.417 ( 1.694 3.031 1.478) 3.774 2.525 ( 10.019 -1.890 -4.903) 11.314 2.948 ( 1.371 -2.298 -2.786) 3.863 3.892 ( 8.735 -3.060 -4.798) 10.426 4.064 ( -2.447 -2.431 3.521) 4.929 4.650 ( -3.194 4.999 3.952) 7.128 5.366 ( -9.133 3.506 -3.506) 10.392 6.043 ( 9.794 -0.042 -8.937) 13.258 6.290 ( 1.817 -1.324 3.642) 4.280 6.653 ( -3.761 -2.958 -1.810) 5.116 6.698 ( 5.061 -1.169 0.878) 5.268 7.302 ( -10.119 2.170 5.203) 11.583 7.548 ( 3.536 4.376 2.626) 6.209 7.610 ( 4.411 -0.485 -2.432) 5.060 7.764 ( 0.992 -2.464 0.729) 2.754 8.360 ( -4.642 -3.828 -2.324) 6.450 8.621 ( 0.456 1.170 5.213) 5.362 9.411 ( 7.898 4.303 -8.714) 12.523 9.760 ( -2.728 -4.446 -0.385) 5.230 10.184 ( 4.822 -0.285 -1.319) 5.007 10.580 ( -1.059 8.407 -7.234) 11.141 11.407 ( -4.536 -1.276 7.321) 8.707 12.383 ( -3.808 2.124 -0.091) 4.362 16.177 ( 3.183 -0.181 -0.373) 3.210 16.609 ( -6.164 0.875 0.715) 6.267 17.196 ( -0.583 -0.005 -2.068) 2.148 17.223 ( 3.275 -4.407 4.241) 6.938 17.352 ( -0.947 1.672 0.344) 1.952 17.646 ( -1.688 -0.592 2.966) 3.464 17.822 ( 3.988 3.179 -4.296) 6.668 18.484 ( 1.368 -2.800 0.064) 3.117 ======================= Grid point 342 (176/250) ======================= q-point: (-0.22 0.11 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( -0.102 2.503 11.022) 11.303 1.339 ( 2.414 -1.736 11.152) 11.542 1.879 ( -5.810 0.200 3.503) 6.787 1.906 ( -3.864 -2.508 -0.991) 4.712 2.240 ( -1.030 2.718 -1.625) 3.330 2.363 ( 0.234 3.663 0.203) 3.676 2.657 ( 8.449 -2.867 -1.021) 8.980 3.005 ( 2.178 -3.281 -3.168) 5.055 3.998 ( 9.871 1.129 -4.922) 11.088 4.095 ( -1.935 -3.716 0.826) 4.270 4.505 ( -6.395 6.461 2.098) 9.330 5.142 ( -9.494 6.484 -7.781) 13.883 6.159 ( 5.186 -4.194 0.827) 6.721 6.362 ( 5.051 -1.408 2.081) 5.642 6.677 ( -1.265 -2.944 0.404) 3.229 6.804 ( 7.465 -2.627 0.954) 7.971 7.158 ( -9.203 3.572 4.683) 10.926 7.516 ( 1.805 3.723 1.948) 4.573 7.705 ( 8.403 -2.038 0.322) 8.652 7.799 ( -1.017 -1.505 0.746) 1.964 8.378 ( -4.786 -4.340 -0.327) 6.469 8.609 ( -1.738 1.274 2.070) 2.989 9.392 ( 8.913 3.429 -5.577) 11.059 9.785 ( -2.875 -2.561 -4.505) 5.926 10.231 ( -0.523 -0.424 2.654) 2.738 10.457 ( 7.222 4.198 -5.622) 10.069 11.395 ( -4.813 0.300 5.541) 7.346 12.200 ( -9.464 8.480 -7.111) 14.562 16.222 ( 4.476 -0.534 -0.295) 4.517 16.481 ( -7.188 3.427 -3.359) 8.643 17.160 ( -0.737 1.759 -1.929) 2.712 17.237 ( -2.535 0.966 0.441) 2.749 17.466 ( 5.948 -3.046 4.890) 8.280 17.709 ( -3.421 -4.952 3.028) 6.737 17.805 ( 6.860 0.349 2.728) 7.391 18.563 ( 1.618 -4.761 -1.817) 5.347 ======================= Grid point 343 (177/250) ======================= q-point: (-0.11 0.11 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( -1.002 1.071 10.800) 10.899 1.438 ( 3.445 0.545 11.839) 12.342 1.860 ( -3.637 -3.482 -2.998) 5.860 1.938 ( -1.151 -2.740 3.959) 4.951 2.178 ( 1.756 2.301 -4.314) 5.195 2.324 ( 1.739 2.583 2.050) 3.728 2.771 ( 5.268 -2.316 -0.279) 5.761 3.066 ( 1.896 -2.845 -3.421) 4.837 3.983 ( -2.424 2.549 -0.085) 3.518 4.118 ( -2.068 2.535 -3.278) 4.631 4.402 ( 0.308 -1.282 0.367) 1.369 4.915 ( -3.629 7.130 -8.690) 11.812 6.256 ( -1.711 -3.309 3.983) 5.454 6.453 ( 6.172 -1.270 0.606) 6.330 6.718 ( -0.046 -1.460 1.340) 1.983 6.882 ( 0.890 0.230 -1.589) 1.836 7.130 ( 5.311 -1.918 7.764) 9.600 7.473 ( -0.825 2.439 0.423) 2.609 7.811 ( -0.211 -0.892 3.196) 3.325 7.829 ( 7.071 -1.496 -0.045) 7.227 8.402 ( -5.068 -3.499 2.686) 6.719 8.567 ( -3.472 0.595 -0.465) 3.554 9.439 ( 10.293 0.442 -2.540) 10.611 9.743 ( -3.187 0.204 -8.672) 9.241 10.180 ( -9.230 0.847 4.679) 10.383 10.557 ( 19.775 -0.572 -5.719) 20.594 11.354 ( -5.109 0.616 3.402) 6.169 11.868 ( -11.413 11.652 -10.174) 19.223 16.269 ( 1.317 -0.405 -0.794) 1.590 16.359 ( -1.707 2.311 -2.871) 4.062 17.116 ( -1.041 1.596 0.584) 1.993 17.194 ( -2.404 1.109 -0.283) 2.663 17.551 ( 2.975 -1.308 0.944) 3.384 17.681 ( -1.529 1.539 -3.398) 4.032 18.022 ( 5.776 -7.556 13.337) 16.381 18.656 ( 1.980 -5.301 -4.501) 7.230 ======================= Grid point 346 (178/250) ======================= q-point: ( 0.22 0.22 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( -1.692 0.000 9.113) 9.269 1.846 ( 8.054 -0.000 3.142) 8.645 1.883 ( 2.300 -0.000 -0.055) 2.300 1.936 ( 5.190 -0.000 -7.552) 9.163 2.289 ( -1.281 0.000 -0.670) 1.446 2.385 ( 0.911 -0.000 -4.587) 4.677 2.880 ( 0.501 -0.000 -1.738) 1.809 2.994 ( -5.092 0.000 -5.236) 7.303 3.542 ( -6.051 0.000 3.628) 7.055 3.655 ( -14.489 0.000 16.360) 21.854 4.561 ( 2.877 -0.000 -0.874) 3.006 5.122 ( 22.002 -0.000 -12.450) 25.280 6.215 ( -3.129 0.000 4.388) 5.389 6.499 ( -7.290 0.000 -4.073) 8.351 6.658 ( 3.573 -0.000 -1.968) 4.079 7.000 ( -9.503 0.000 -9.019) 13.101 7.281 ( 11.143 -0.000 1.329) 11.222 7.669 ( 4.970 -0.000 3.195) 5.909 7.788 ( -12.133 0.000 -0.505) 12.143 7.879 ( -5.637 0.000 -9.886) 11.380 8.405 ( -3.517 0.000 6.748) 7.609 8.459 ( 2.335 -0.000 7.130) 7.503 9.516 ( 7.652 -0.000 -12.915) 15.012 9.560 ( -7.460 0.000 1.996) 7.722 10.096 ( 5.623 -0.000 -0.520) 5.647 11.049 ( -4.497 0.000 8.793) 9.876 11.318 ( 18.278 -0.000 -19.250) 26.545 11.544 ( 6.664 -0.000 11.508) 13.298 16.151 ( 0.611 -0.000 0.351) 0.705 16.346 ( -3.006 0.000 -0.165) 3.011 17.068 ( -1.150 0.000 0.371) 1.208 17.160 ( 1.776 -0.000 2.711) 3.241 17.563 ( -3.235 0.000 -0.607) 3.291 17.796 ( 9.667 -0.000 -1.564) 9.793 18.288 ( -5.767 0.000 5.521) 7.984 18.628 ( -3.441 0.000 -13.245) 13.684 ======================= Grid point 347 (179/250) ======================= q-point: ( 0.33 0.22 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( -2.806 1.628 6.713) 7.456 1.850 ( 2.581 5.799 0.972) 6.421 1.921 ( 1.285 -2.835 -2.613) 4.064 2.025 ( 7.642 -3.032 -0.442) 8.233 2.219 ( -4.442 3.794 -3.835) 6.988 2.378 ( 2.230 -0.676 -4.415) 4.992 2.797 ( -4.839 5.538 -1.689) 7.546 2.957 ( -2.136 -1.907 -3.501) 4.523 3.548 ( -1.011 -1.975 5.559) 5.985 3.653 ( -10.167 -6.353 14.718) 18.983 4.605 ( 5.403 -0.092 1.346) 5.569 5.292 ( 20.118 -0.381 -11.557) 23.204 6.193 ( -3.222 0.120 0.570) 3.274 6.417 ( -7.531 -0.881 -2.895) 8.116 6.670 ( 0.794 0.274 -2.211) 2.365 6.831 ( -8.960 1.911 -12.639) 15.611 7.414 ( 11.319 0.686 3.674) 11.920 7.606 ( -11.593 2.841 -2.612) 12.218 7.684 ( 0.337 2.728 0.155) 2.753 7.809 ( -6.735 -2.758 -4.801) 8.719 8.384 ( -4.403 0.602 3.623) 5.734 8.525 ( 2.962 -0.584 6.305) 6.991 9.487 ( -0.755 1.206 0.822) 1.643 9.570 ( 4.349 -1.779 -8.631) 9.827 10.142 ( 4.943 0.605 -1.249) 5.134 11.071 ( -2.002 -2.475 0.923) 3.314 11.365 ( 13.418 5.036 -9.918) 17.429 11.752 ( 8.333 -7.822 13.017) 17.323 16.166 ( 2.135 0.499 0.641) 2.284 16.335 ( -2.173 -1.999 2.391) 3.799 17.058 ( -0.620 0.352 0.866) 1.122 17.201 ( 1.484 -1.107 2.357) 2.998 17.521 ( -3.814 0.151 -1.124) 3.979 17.877 ( 9.693 1.502 -1.594) 9.938 18.205 ( -7.998 4.028 1.100) 9.023 18.511 ( -4.096 0.960 -12.321) 13.019 ======================= Grid point 348 (180/250) ======================= q-point: ( 0.44 0.22 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( -3.540 2.812 3.450) 5.687 1.755 ( 1.511 8.715 2.914) 9.313 1.945 ( -5.030 -3.086 -3.801) 7.019 2.067 ( -4.788 4.194 -1.555) 6.553 2.156 ( 3.819 -4.035 0.857) 5.622 2.418 ( 5.434 -1.403 -3.880) 6.823 2.636 ( -4.612 5.687 -1.137) 7.410 2.946 ( -1.228 -0.117 -2.669) 2.940 3.623 ( -0.403 -3.888 7.646) 8.587 3.779 ( -1.283 -7.950 8.422) 11.653 4.684 ( 6.079 -0.341 4.825) 7.769 5.425 ( 13.951 0.548 -9.156) 16.696 6.154 ( -2.572 -0.772 -6.974) 7.473 6.330 ( -7.656 1.244 -1.458) 7.892 6.623 ( -9.700 -1.120 -5.292) 11.106 6.692 ( 2.077 2.391 -8.321) 8.904 7.406 ( -5.506 2.571 2.319) 6.504 7.577 ( 4.617 -0.520 -3.534) 5.837 7.620 ( -3.731 -0.428 1.281) 3.968 7.782 ( 0.740 1.508 1.211) 2.070 8.328 ( -5.883 0.458 -0.151) 5.903 8.586 ( 0.692 -1.110 5.036) 5.204 9.500 ( 2.853 -0.256 2.386) 3.728 9.596 ( 3.938 -0.510 -7.441) 8.434 10.166 ( 3.780 0.806 -1.790) 4.260 11.043 ( -1.221 1.674 -13.553) 13.711 11.371 ( 7.499 4.439 5.694) 10.409 12.056 ( 6.950 -9.994 12.538) 17.475 16.176 ( 2.346 1.128 0.577) 2.667 16.407 ( 1.081 -4.604 5.822) 7.501 17.053 ( -0.826 -0.123 1.636) 1.837 17.235 ( 0.027 -0.389 1.585) 1.632 17.473 ( -3.273 0.166 -2.539) 4.146 17.919 ( 6.900 3.409 -2.022) 7.958 18.001 ( -7.081 7.355 -4.896) 11.323 18.430 ( -3.551 -1.017 -7.175) 8.070 ======================= Grid point 349 (181/250) ======================= q-point: (-0.44 -0.78 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( -2.247 2.410 1.928) 3.818 1.606 ( -0.132 10.313 4.399) 11.213 1.886 ( -8.212 -1.542 -3.856) 9.202 1.983 ( -7.072 0.708 4.647) 8.492 2.251 ( -0.342 -3.380 2.676) 4.324 2.493 ( 6.108 -1.386 -4.705) 7.833 2.521 ( 2.177 4.052 -1.663) 4.891 2.917 ( -0.794 0.347 -3.070) 3.190 3.738 ( 0.516 -5.233 7.666) 9.296 3.944 ( 5.091 -5.110 2.676) 7.693 4.761 ( 4.009 1.313 6.562) 7.801 5.444 ( 0.076 2.377 -6.097) 6.545 6.095 ( 1.417 0.794 -16.900) 16.978 6.247 ( -4.237 -0.358 3.712) 5.644 6.535 ( -8.015 -3.265 -5.101) 10.046 6.684 ( 4.278 0.258 -2.652) 5.040 7.341 ( -6.398 0.528 3.526) 7.324 7.524 ( -4.404 -1.651 -5.934) 7.572 7.678 ( 5.203 1.020 0.790) 5.361 7.797 ( 6.831 2.852 6.417) 9.797 8.259 ( -6.918 -1.294 -2.417) 7.441 8.620 ( -1.833 -1.239 3.570) 4.200 9.548 ( 9.008 2.552 -4.307) 10.306 9.615 ( -1.012 -2.656 0.007) 2.842 10.183 ( 3.380 0.349 -1.722) 3.809 10.875 ( -2.062 6.723 -16.920) 18.323 11.414 ( 3.458 2.479 12.725) 13.417 12.300 ( 1.852 -6.458 7.647) 10.179 16.189 ( 3.147 0.910 0.857) 3.386 16.539 ( 1.056 -4.374 6.474) 7.884 17.069 ( -0.516 -1.992 3.415) 3.987 17.225 ( -0.680 0.785 -0.999) 1.441 17.422 ( -2.419 1.035 -3.348) 4.258 17.764 ( -5.322 6.321 -2.672) 8.685 17.942 ( 6.567 3.629 -2.553) 7.926 18.396 ( -3.600 -2.459 -5.693) 7.170 ======================= Grid point 350 (182/250) ======================= q-point: (-0.33 0.22 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( 1.958 -0.207 3.948) 4.412 1.473 ( 0.512 8.096 8.668) 11.872 1.819 ( -9.005 -2.159 -1.188) 9.336 1.913 ( -7.954 0.694 5.525) 9.709 2.278 ( -3.256 -0.859 2.616) 4.264 2.459 ( -0.870 1.683 -2.513) 3.147 2.602 ( 12.410 -0.263 -4.489) 13.200 2.905 ( -0.116 -1.672 -3.989) 4.327 3.880 ( 1.963 -5.834 6.267) 8.784 4.066 ( 8.037 -0.584 -1.725) 8.241 4.747 ( -0.560 5.928 4.627) 7.541 5.298 ( -11.207 3.450 -5.825) 13.093 6.056 ( 3.234 -1.226 -8.531) 9.205 6.286 ( 2.182 -3.110 0.563) 3.841 6.534 ( -3.620 -5.131 -1.771) 6.524 6.738 ( 5.712 -1.189 -0.865) 5.898 7.254 ( -9.271 1.811 4.101) 10.298 7.521 ( -0.424 -2.564 -6.014) 6.551 7.703 ( 5.879 1.642 0.319) 6.112 7.850 ( 7.001 3.467 6.348) 10.066 8.225 ( -6.082 -3.704 -1.610) 7.301 8.621 ( -4.175 -0.974 1.648) 4.593 9.545 ( 8.948 4.892 -6.076) 11.870 9.667 ( -1.678 -3.782 0.610) 4.182 10.214 ( 3.326 -0.388 -0.286) 3.361 10.661 ( -1.367 6.811 -13.066) 14.798 11.454 ( 1.476 3.048 13.912) 14.318 12.359 ( -4.764 0.232 0.249) 4.776 16.219 ( 4.106 0.434 1.107) 4.275 16.567 ( -4.981 0.940 -0.045) 5.069 17.167 ( 0.890 -3.805 4.356) 5.852 17.216 ( 2.722 -0.995 -0.408) 2.926 17.370 ( -0.078 0.722 1.087) 1.307 17.645 ( -3.529 2.420 1.590) 4.565 17.924 ( 5.859 4.181 -3.200) 7.877 18.393 ( -3.777 -4.706 -5.721) 8.315 ======================= Grid point 351 (183/250) ======================= q-point: (-0.22 0.22 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.356 ( 3.940 0.224 5.518) 6.784 1.429 ( 3.318 2.632 12.379) 13.083 1.761 ( -9.973 -2.711 0.397) 10.343 1.870 ( -4.260 -0.549 6.228) 7.565 2.257 ( -1.552 0.970 0.399) 1.873 2.400 ( -0.849 2.029 -3.964) 4.533 2.707 ( 9.022 -0.682 -2.795) 9.469 2.940 ( 0.772 -3.957 -4.606) 6.121 4.015 ( -1.252 -4.711 3.441) 5.967 4.115 ( 10.336 2.743 -4.759) 11.705 4.596 ( -5.195 9.070 3.964) 11.179 5.096 ( -9.503 3.372 -6.476) 11.984 6.114 ( 0.899 -4.084 0.414) 4.202 6.379 ( 4.560 -3.358 -1.330) 5.817 6.609 ( 0.139 -5.294 0.759) 5.350 6.824 ( 4.954 -2.253 -0.997) 5.533 7.157 ( -4.869 2.203 5.530) 7.691 7.505 ( -2.659 -0.217 -5.740) 6.330 7.761 ( 4.482 -1.221 0.789) 4.711 7.880 ( 8.314 3.657 2.585) 9.444 8.244 ( -4.710 -4.522 1.743) 6.758 8.583 ( -6.154 -0.496 0.025) 6.174 9.530 ( 8.288 4.374 -3.040) 9.852 9.697 ( -1.781 -2.660 -4.512) 5.533 10.226 ( -2.765 1.334 1.591) 3.458 10.558 ( 8.159 1.353 -9.286) 12.435 11.457 ( -0.045 4.682 13.684) 14.463 12.207 ( -9.321 6.729 -5.987) 12.961 16.261 ( 3.288 0.096 0.956) 3.426 16.456 ( -5.088 3.023 -3.630) 6.943 17.176 ( 0.558 1.243 -1.774) 2.237 17.231 ( -2.544 0.850 0.992) 2.860 17.505 ( 7.421 -3.719 6.536) 10.566 17.615 ( -3.465 -2.787 4.009) 5.987 17.907 ( 6.133 2.631 0.304) 6.680 18.432 ( -3.422 -7.131 -6.496) 10.236 ======================= Grid point 352 (184/250) ======================= q-point: (-0.11 0.22 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.356 ( -0.281 2.921 8.363) 8.863 1.552 ( 8.102 -0.841 8.566) 11.821 1.727 ( -6.926 -3.597 0.599) 7.827 1.905 ( -1.031 -2.723 6.593) 7.207 2.219 ( 1.235 2.238 -2.346) 3.470 2.357 ( 0.286 0.509 -3.156) 3.209 2.782 ( 4.282 -1.517 -2.155) 5.028 3.001 ( 0.918 -4.059 -4.731) 6.301 3.975 ( -6.421 3.018 -2.948) 7.683 4.157 ( 1.422 2.775 -1.254) 3.361 4.441 ( -0.977 4.216 6.514) 7.821 4.948 ( -0.335 3.652 -8.250) 9.028 6.189 ( -2.159 -3.584 3.858) 5.691 6.473 ( 4.280 -2.808 -1.291) 5.280 6.704 ( 1.635 -2.877 1.535) 3.648 6.869 ( -0.160 -1.099 -1.915) 2.214 7.186 ( 5.413 -2.428 6.939) 9.129 7.433 ( -4.511 0.928 -5.539) 7.204 7.818 ( 0.419 -2.205 -0.301) 2.264 7.931 ( 9.770 2.576 1.089) 10.163 8.291 ( -3.717 -4.131 4.601) 7.215 8.520 ( -6.901 -0.312 -0.013) 6.908 9.538 ( 5.271 2.059 -1.111) 5.767 9.687 ( 0.718 -0.566 -8.795) 8.843 10.138 ( -6.844 2.404 2.054) 7.539 10.683 ( 16.688 -3.488 -7.675) 18.697 11.410 ( -2.348 6.049 11.901) 13.555 11.920 ( -8.804 10.748 -7.758) 15.913 16.259 ( -3.048 0.998 -0.624) 3.267 16.382 ( 1.991 1.341 -2.302) 3.326 17.138 ( -1.232 1.998 0.677) 2.443 17.197 ( -1.033 1.195 -0.012) 1.580 17.568 ( 1.468 -0.597 0.499) 1.661 17.665 ( -0.100 -0.134 -0.661) 0.682 18.031 ( 6.737 -5.122 10.897) 13.797 18.507 ( -2.359 -8.512 -7.837) 11.808 ======================= Grid point 356 (185/250) ======================= q-point: ( 0.33 0.33 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( -3.303 0.000 6.633) 7.410 1.854 ( -3.394 0.000 -5.623) 6.568 1.962 ( 1.352 -0.000 5.800) 5.956 2.032 ( 4.188 -0.000 -4.195) 5.928 2.199 ( -5.694 0.000 -3.200) 6.531 2.362 ( 3.656 -0.000 -7.145) 8.026 2.846 ( -3.451 0.000 1.235) 3.666 2.858 ( -2.203 0.000 -3.514) 4.147 3.548 ( -11.243 0.000 17.519) 20.816 3.606 ( 8.044 -0.000 6.277) 10.203 4.680 ( 8.295 -0.000 1.216) 8.384 5.435 ( 18.046 -0.000 -11.845) 21.586 6.130 ( -5.880 0.000 -7.195) 9.293 6.342 ( -6.428 0.000 3.725) 7.429 6.597 ( -11.438 0.000 -7.447) 13.649 6.749 ( 1.346 -0.000 -11.626) 11.703 7.487 ( -13.637 0.000 0.388) 13.642 7.568 ( 12.706 -0.000 4.027) 13.329 7.607 ( -8.432 0.000 -10.488) 13.457 7.790 ( 2.282 -0.000 4.783) 5.300 8.351 ( -6.107 0.000 2.805) 6.720 8.555 ( 0.274 -0.000 1.951) 1.970 9.470 ( -3.510 0.000 5.709) 6.702 9.617 ( 11.150 -0.000 -8.991) 14.324 10.186 ( 3.568 -0.000 -1.322) 3.805 11.040 ( -0.122 0.000 -4.521) 4.523 11.511 ( 12.081 -0.000 -4.952) 13.056 11.821 ( 7.948 -0.000 13.686) 15.826 16.215 ( 4.590 -0.000 1.971) 4.995 16.306 ( -1.495 0.000 3.684) 3.975 17.065 ( 0.409 -0.000 0.353) 0.540 17.217 ( 1.267 -0.000 2.318) 2.642 17.474 ( -4.222 0.000 -1.588) 4.511 17.982 ( 8.774 -0.000 -1.543) 8.908 18.170 ( -9.278 0.000 3.480) 9.909 18.387 ( -5.712 0.000 -17.809) 18.702 ======================= Grid point 357 (186/250) ======================= q-point: (-0.56 -0.67 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( -3.325 2.707 5.114) 6.673 1.796 ( -7.908 -2.617 -4.791) 9.609 1.914 ( -0.489 6.133 2.286) 6.563 2.055 ( -7.380 2.078 -1.868) 7.891 2.119 ( 0.423 -2.697 -0.316) 2.748 2.406 ( 4.814 -2.895 -6.957) 8.942 2.719 ( -0.785 6.748 1.088) 6.880 2.903 ( -0.373 -2.417 -1.809) 3.042 3.556 ( -9.072 -4.220 16.924) 19.661 3.776 ( 12.842 -3.069 5.663) 14.367 4.779 ( 9.029 0.177 2.819) 9.461 5.528 ( 10.776 1.706 -11.274) 15.688 6.042 ( -4.607 -2.107 -11.894) 12.928 6.281 ( -8.215 1.425 4.068) 9.277 6.440 ( -12.104 -2.123 -9.867) 15.760 6.717 ( 3.027 1.100 -8.774) 9.347 7.360 ( -8.998 0.621 1.572) 9.156 7.496 ( -5.240 -0.236 -7.639) 9.266 7.707 ( 10.723 0.755 3.755) 11.387 7.837 ( 2.610 -0.317 5.860) 6.423 8.277 ( -7.117 1.434 0.168) 7.262 8.557 ( -3.152 -1.739 -0.231) 3.608 9.492 ( -1.100 -1.665 6.979) 7.259 9.679 ( 10.824 2.033 -6.981) 13.039 10.204 ( 2.441 0.592 -1.355) 2.854 10.990 ( -1.818 0.901 -13.007) 13.165 11.573 ( 10.149 4.835 4.055) 11.950 12.026 ( 6.071 -7.061 11.844) 15.066 16.246 ( 3.963 2.407 2.674) 5.353 16.375 ( 2.854 -4.290 5.737) 7.711 17.064 ( 0.332 0.793 0.787) 1.166 17.237 ( 0.127 -0.111 1.367) 1.378 17.426 ( -3.297 -0.306 -2.672) 4.255 17.993 ( -5.926 5.169 -3.448) 8.586 18.053 ( 1.100 2.564 0.437) 2.824 18.296 ( -3.569 -3.160 -13.821) 14.620 ======================= Grid point 358 (187/250) ======================= q-point: (-0.44 -0.67 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( -1.893 3.011 3.651) 5.096 1.731 ( -10.645 -2.141 -1.370) 10.945 1.789 ( 0.210 7.706 0.200) 7.712 1.930 ( -9.646 1.106 3.746) 10.407 2.185 ( -2.131 -3.985 1.871) 4.891 2.465 ( 1.634 -2.318 -6.548) 7.136 2.645 ( 5.944 4.099 0.979) 7.286 2.904 ( 0.115 0.625 -3.674) 3.728 3.652 ( -5.888 -6.924 15.431) 17.909 3.995 ( 15.313 -2.741 2.256) 15.719 4.867 ( 6.377 1.477 4.774) 8.102 5.454 ( -3.816 5.385 -10.496) 12.398 6.017 ( 1.131 -2.923 -14.073) 14.417 6.183 ( -7.731 -1.066 -0.811) 7.846 6.364 ( -7.770 -4.283 -3.323) 9.474 6.712 ( 4.582 -0.238 -5.817) 7.408 7.287 ( -6.790 0.244 1.995) 7.081 7.450 ( 0.485 -1.008 -6.063) 6.165 7.773 ( 4.872 2.320 3.037) 6.192 7.927 ( 6.663 -0.197 8.515) 10.814 8.172 ( -6.605 1.098 -2.867) 7.283 8.549 ( -5.846 -2.792 -0.763) 6.523 9.550 ( -1.085 -2.592 5.412) 6.098 9.706 ( 9.926 3.935 -5.178) 11.867 10.214 ( 2.592 0.359 -0.916) 2.773 10.849 ( -4.184 3.429 -17.387) 18.209 11.610 ( 8.386 5.614 11.281) 15.136 12.234 ( 0.944 -6.410 7.031) 9.561 16.260 ( 4.297 2.085 3.063) 5.674 16.516 ( 3.129 -3.696 5.262) 7.152 17.061 ( -0.099 -0.262 2.749) 2.763 17.230 ( -0.035 0.612 -0.850) 1.048 17.397 ( -1.472 -0.235 -2.569) 2.970 17.794 ( -6.770 5.449 -2.645) 9.084 18.041 ( 0.997 1.501 -0.545) 1.883 18.264 ( -2.093 -2.234 -11.350) 11.756 ======================= Grid point 359 (188/250) ======================= q-point: (-0.33 -0.67 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( 2.006 -0.006 4.966) 5.356 1.645 ( -2.758 4.984 7.480) 9.402 1.679 ( -7.515 0.402 -2.079) 7.807 1.855 ( -8.413 -0.647 6.077) 10.399 2.223 ( -3.503 -2.787 2.541) 5.147 2.446 ( -1.631 0.583 -4.651) 4.963 2.710 ( 10.416 -0.463 -1.789) 10.578 2.862 ( -0.827 0.900 -5.773) 5.901 3.797 ( -2.697 -7.296 12.091) 14.377 4.179 ( 14.906 0.190 -2.287) 15.082 4.876 ( 1.499 5.533 5.216) 7.750 5.217 ( -12.164 5.298 -8.948) 16.003 6.015 ( 1.146 -1.671 -6.371) 6.685 6.198 ( -1.127 -6.850 -6.260) 9.347 6.394 ( -3.611 -6.089 1.013) 7.151 6.763 ( 5.762 -1.471 -3.625) 6.964 7.220 ( -5.188 1.229 2.273) 5.795 7.472 ( 3.471 -1.366 -5.462) 6.614 7.771 ( -0.561 1.856 2.777) 3.387 8.011 ( 7.369 3.153 4.108) 9.006 8.122 ( -1.939 -2.317 1.020) 3.189 8.522 ( -8.013 -2.801 -1.392) 8.602 9.594 ( -2.492 -2.739 1.006) 3.837 9.703 ( 8.588 5.042 -3.031) 10.410 10.242 ( 2.983 -0.136 0.189) 2.992 10.661 ( -3.530 3.706 -15.968) 16.768 11.648 ( 6.492 6.050 15.431) 17.801 12.298 ( -5.237 -1.368 0.271) 5.419 16.287 ( 4.142 1.612 3.186) 5.469 16.547 ( -2.511 1.673 -1.500) 3.369 17.134 ( 1.353 -3.804 5.906) 7.154 17.233 ( 2.675 -0.134 -1.124) 2.904 17.384 ( 1.210 -0.479 1.418) 1.924 17.664 ( -4.057 3.159 0.930) 5.225 18.023 ( 1.149 1.117 -1.640) 2.293 18.223 ( -3.764 -2.670 -11.028) 11.954 ======================= Grid point 360 (189/250) ======================= q-point: (-0.22 -0.67 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( 2.331 -2.227 5.100) 6.033 1.566 ( -1.674 4.229 1.463) 4.777 1.630 ( -5.080 -2.039 10.484) 11.827 1.839 ( -3.973 -1.466 6.909) 8.104 2.238 ( -2.560 -1.460 2.023) 3.575 2.392 ( -1.156 1.159 -5.499) 5.737 2.791 ( 6.084 2.471 -4.247) 7.820 2.843 ( 0.379 -4.663 -5.125) 6.939 3.932 ( -1.852 -5.235 5.491) 7.809 4.256 ( 9.397 3.636 -4.644) 11.095 4.742 ( -3.331 10.410 4.716) 11.904 5.020 ( -7.186 1.207 -4.635) 8.636 6.060 ( 1.330 -3.371 -0.072) 3.624 6.302 ( 1.553 -7.492 -6.841) 10.263 6.496 ( -1.312 -7.338 2.486) 7.858 6.831 ( 4.530 -1.302 -2.987) 5.580 7.172 ( -1.969 0.885 3.305) 3.948 7.489 ( 2.674 1.461 -3.564) 4.689 7.737 ( -4.852 -1.375 -0.605) 5.079 8.040 ( 9.562 3.005 -2.569) 10.347 8.186 ( 0.581 -1.803 8.705) 8.908 8.471 ( -9.072 -2.456 -1.718) 9.554 9.597 ( -3.841 -1.877 -4.027) 5.873 9.694 ( 7.895 4.236 -0.950) 9.010 10.238 ( -2.003 2.414 -0.909) 3.266 10.576 ( 4.945 -1.783 -10.737) 11.955 11.658 ( 3.355 7.538 17.025) 18.919 12.188 ( -7.976 4.171 -4.674) 10.141 16.301 ( 0.243 1.678 1.970) 2.599 16.459 ( -0.908 2.910 -3.345) 4.526 17.192 ( 0.807 -0.582 0.744) 1.242 17.226 ( -1.774 1.489 -0.121) 2.319 17.534 ( 7.904 -5.960 8.648) 13.145 17.592 ( -2.734 1.945 1.657) 3.742 18.011 ( 3.441 2.031 -0.263) 4.004 18.203 ( -5.997 -7.152 -10.893) 14.345 ======================= Grid point 361 (190/250) ======================= q-point: (-0.11 0.33 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.432 ( -1.529 1.842 5.822) 6.295 1.510 ( -6.639 -4.190 -1.332) 7.963 1.740 ( 8.010 -0.885 12.006) 14.460 1.881 ( -0.846 -2.342 7.517) 7.919 2.241 ( -0.934 -0.212 0.591) 1.125 2.342 ( 0.743 0.843 -6.788) 6.880 2.772 ( -1.089 -0.975 -4.738) 4.958 2.922 ( 2.638 -3.564 -4.200) 6.107 3.940 ( -4.916 1.495 -3.607) 6.277 4.215 ( -1.538 4.270 -0.914) 4.629 4.570 ( -2.385 7.582 9.604) 12.466 4.976 ( 5.614 0.862 -5.844) 8.149 6.134 ( -0.231 -3.072 2.995) 4.296 6.414 ( 1.893 -6.480 -5.585) 8.762 6.631 ( 0.065 -7.205 1.491) 7.358 6.850 ( 0.567 0.482 -3.167) 3.253 7.201 ( 1.811 -2.294 4.008) 4.961 7.446 ( 1.625 3.767 -1.053) 4.236 7.725 ( -4.980 -3.818 -3.925) 7.402 8.068 ( 6.740 2.683 -3.243) 7.947 8.265 ( 1.384 -1.520 9.780) 9.993 8.419 ( -7.046 -2.059 -0.255) 7.345 9.549 ( -4.022 -0.156 -5.604) 6.900 9.712 ( 6.781 2.139 -2.126) 7.421 10.138 ( -3.707 3.299 -1.739) 5.258 10.704 ( 11.520 -6.490 -8.487) 15.712 11.585 ( -3.639 9.289 13.440) 16.738 11.997 ( -2.761 8.146 -2.119) 8.858 16.244 ( -3.770 1.858 -1.085) 4.341 16.427 ( 2.746 1.922 -0.089) 3.353 17.166 ( -1.811 2.524 0.815) 3.212 17.208 ( 0.187 0.212 0.772) 0.822 17.557 ( -1.465 -0.144 0.395) 1.524 17.689 ( 4.145 -0.411 1.498) 4.427 18.064 ( 3.224 -2.909 5.541) 7.040 18.260 ( -3.203 -10.316 -9.169) 14.169 ======================= Grid point 366 (191/250) ======================= q-point: (-0.56 -0.56 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( -2.938 0.000 6.427) 7.067 1.650 ( -11.125 0.000 -3.901) 11.789 1.948 ( -9.301 0.000 4.501) 10.333 2.012 ( -1.006 0.000 -5.018) 5.118 2.066 ( -2.615 0.000 -0.925) 2.774 2.389 ( 4.032 -0.000 -7.314) 8.352 2.794 ( -3.402 0.000 3.667) 5.002 2.883 ( 6.450 -0.000 -2.883) 7.065 3.497 ( -9.337 0.000 19.003) 21.173 3.938 ( 17.222 -0.000 5.991) 18.234 4.890 ( 9.276 -0.000 2.156) 9.524 5.580 ( 4.752 -0.000 -13.093) 13.929 5.913 ( -4.463 0.000 -11.589) 12.419 6.233 ( -11.215 0.000 -13.575) 17.608 6.236 ( -9.452 0.000 6.596) 11.526 6.714 ( 3.346 -0.000 -9.485) 10.058 7.288 ( -6.315 0.000 1.746) 6.552 7.440 ( 0.462 -0.000 -6.281) 6.298 7.852 ( 10.856 -0.000 4.404) 11.715 7.870 ( 0.026 -0.000 7.511) 7.511 8.223 ( -6.707 0.000 -0.000) 6.707 8.480 ( -5.937 0.000 -3.614) 6.950 9.503 ( -0.746 0.000 7.386) 7.423 9.782 ( 10.224 -0.000 -4.639) 11.228 10.224 ( 1.560 -0.000 -0.577) 1.663 10.906 ( -3.679 0.000 -16.822) 17.220 11.752 ( 10.428 -0.000 6.391) 12.231 12.063 ( 4.156 -0.000 10.178) 10.994 16.368 ( 7.226 -0.000 4.189) 8.353 16.369 ( 3.228 -0.000 6.178) 6.971 17.083 ( 0.822 -0.000 0.417) 0.922 17.241 ( -0.519 0.000 0.487) 0.712 17.376 ( -2.647 0.000 -2.984) 3.988 17.961 ( -9.327 0.000 -11.277) 14.635 17.994 ( -10.601 0.000 4.197) 11.401 18.243 ( 8.595 -0.000 -10.677) 13.707 ======================= Grid point 367 (192/250) ======================= q-point: (-0.44 -0.56 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( -2.881 3.082 5.392) 6.846 1.559 ( -11.084 -3.650 0.522) 11.681 1.850 ( -9.612 0.969 4.292) 10.572 1.911 ( -1.608 5.441 -3.387) 6.608 2.092 ( -2.936 -4.027 0.924) 5.069 2.413 ( 1.813 -1.941 -5.976) 6.540 2.748 ( -0.606 2.647 2.473) 3.673 2.928 ( 4.968 1.332 -3.987) 6.508 3.552 ( -5.932 -5.393 18.645) 20.296 4.153 ( 17.655 -0.883 3.117) 17.949 4.974 ( 6.073 1.120 3.257) 6.982 5.455 ( -6.317 6.303 -13.565) 16.237 5.893 ( 0.360 -5.666 -10.675) 12.091 6.062 ( -8.388 0.611 -9.142) 12.422 6.213 ( -7.261 -4.086 3.068) 8.879 6.723 ( 5.564 -0.641 -7.564) 9.412 7.245 ( -3.668 0.286 1.403) 3.937 7.444 ( 4.894 -0.188 -5.296) 7.213 7.861 ( -1.996 2.749 6.690) 7.503 8.003 ( 6.946 -2.377 7.072) 10.193 8.145 ( -2.302 2.069 -1.786) 3.574 8.417 ( -7.542 -2.520 -3.752) 8.792 9.527 ( -2.431 -0.999 5.258) 5.879 9.842 ( 8.947 2.385 -3.192) 9.794 10.240 ( 2.016 0.049 0.601) 2.104 10.760 ( -6.070 1.639 -18.729) 19.756 11.845 ( 9.700 4.438 9.433) 14.240 12.172 ( -0.116 -4.181 5.842) 7.185 16.381 ( 5.674 3.702 5.186) 8.532 16.521 ( 5.203 -3.230 4.212) 7.432 17.079 ( 0.226 0.986 1.740) 2.012 17.230 ( -0.501 -0.240 -1.478) 1.579 17.361 ( -0.536 -1.261 -1.728) 2.205 17.770 ( -8.637 2.417 -8.231) 12.173 17.935 ( -11.066 -2.872 0.259) 11.436 18.278 ( 8.410 2.216 -8.053) 11.853 ======================= Grid point 368 (193/250) ======================= q-point: (-0.33 -0.56 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( -1.727 0.065 6.772) 6.989 1.519 ( -10.994 -2.751 3.791) 11.951 1.785 ( -5.838 -0.808 5.456) 8.031 1.794 ( -0.054 5.757 0.294) 5.765 2.136 ( -3.716 -4.093 2.091) 5.911 2.417 ( -0.645 -0.157 -3.508) 3.570 2.729 ( -0.786 -0.833 -2.021) 2.323 2.912 ( 5.007 3.434 -4.313) 7.448 3.701 ( -2.336 -7.138 14.594) 16.413 4.328 ( 13.862 0.418 -2.568) 14.104 5.002 ( 2.721 2.976 6.360) 7.531 5.168 ( -11.100 8.514 -11.167) 17.900 5.974 ( -0.281 -1.487 -6.246) 6.427 5.990 ( -1.177 -9.098 -9.859) 13.467 6.262 ( -3.230 -5.935 3.713) 7.710 6.779 ( 6.610 -1.494 -5.258) 8.577 7.209 ( -2.406 0.954 1.095) 2.810 7.494 ( 7.560 -0.577 -4.767) 8.956 7.774 ( -9.263 3.026 4.329) 10.663 8.112 ( 4.367 0.500 -2.183) 4.908 8.146 ( 6.306 -0.375 8.858) 10.880 8.368 ( -8.653 -3.046 -3.085) 9.678 9.526 ( -4.637 -1.443 0.830) 4.927 9.858 ( 7.554 4.111 -1.754) 8.777 10.271 ( 2.229 -0.057 1.378) 2.622 10.581 ( -5.795 1.388 -17.036) 18.048 11.898 ( 8.201 5.847 12.508) 16.059 12.213 ( -5.358 -1.963 0.028) 5.707 16.393 ( 3.902 3.702 4.502) 7.014 16.560 ( 0.209 2.215 -2.230) 3.150 17.120 ( 1.647 -2.362 5.429) 6.145 17.244 ( 1.785 -1.054 -1.567) 2.599 17.391 ( 2.860 -1.961 2.242) 4.129 17.654 ( -4.954 0.195 -3.826) 6.262 17.872 ( -11.493 -4.452 -3.067) 12.701 18.256 ( 6.354 5.014 -6.811) 10.578 ======================= Grid point 369 (194/250) ======================= q-point: (-0.22 -0.56 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( -7.656 -1.293 7.433) 10.749 1.482 ( -6.784 -3.002 1.523) 7.573 1.743 ( 3.736 3.226 8.681) 9.986 1.811 ( 0.078 -2.231 5.364) 5.810 2.176 ( -3.005 -3.374 2.261) 5.053 2.382 ( -0.896 1.271 -2.303) 2.779 2.716 ( -4.143 -2.470 -7.443) 8.870 2.900 ( 6.081 2.485 -2.587) 7.060 3.849 ( -1.212 -5.525 6.892) 8.916 4.369 ( 4.061 3.661 -5.967) 8.094 4.878 ( -9.386 7.912 -3.318) 12.716 5.014 ( 5.737 3.100 6.302) 9.068 6.004 ( 0.139 -5.226 -4.378) 6.818 6.118 ( 1.537 -8.568 -8.060) 11.863 6.377 ( 0.120 -6.707 4.418) 8.032 6.845 ( 5.164 -1.019 -4.308) 6.802 7.180 ( -0.861 0.643 1.930) 2.209 7.563 ( 8.175 0.943 -2.636) 8.641 7.637 ( -11.267 0.742 0.925) 11.329 8.134 ( 3.499 0.858 -4.533) 5.790 8.245 ( 2.245 0.095 11.060) 11.286 8.333 ( -3.804 -2.678 -1.755) 4.972 9.495 ( -5.277 -1.918 -3.829) 6.796 9.847 ( 6.427 4.670 -0.319) 7.951 10.248 ( -2.946 2.561 -3.564) 5.286 10.513 ( 1.830 -3.920 -8.949) 9.940 11.891 ( 0.189 7.857 11.483) 13.915 12.159 ( -2.708 1.255 -0.831) 3.098 16.340 ( -2.862 3.940 -0.544) 4.900 16.517 ( 3.487 3.059 0.680) 4.688 17.180 ( -0.092 -1.382 2.510) 2.867 17.245 ( 0.003 1.393 -1.370) 1.954 17.553 ( 7.329 -4.989 7.734) 11.765 17.603 ( -1.666 0.245 -0.266) 1.705 17.843 ( -10.770 -8.514 -8.144) 15.963 18.193 ( 4.959 5.343 -3.329) 8.014 ======================= Grid point 370 (195/250) ======================= q-point: (-0.11 -0.56 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( -9.587 -4.165 5.953) 12.030 1.451 ( -5.223 0.021 -0.224) 5.228 1.844 ( 5.068 -2.039 12.075) 13.254 1.894 ( 5.268 -1.510 4.503) 7.093 2.205 ( -1.540 -1.661 0.605) 2.344 2.352 ( 1.223 0.890 -2.066) 2.560 2.667 ( -6.064 -2.369 -7.692) 10.077 2.920 ( 3.992 0.239 -2.553) 4.745 3.896 ( -2.399 -0.404 -3.009) 3.869 4.257 ( -4.896 5.097 -2.208) 7.404 4.692 ( -5.426 5.576 6.586) 10.194 5.079 ( 12.388 2.331 1.548) 12.700 6.091 ( 1.154 -4.514 -0.885) 4.743 6.239 ( -0.048 -8.985 -8.980) 12.703 6.520 ( 1.149 -6.370 3.177) 7.210 6.860 ( 1.294 1.135 -4.286) 4.619 7.207 ( 2.286 -1.404 4.287) 5.057 7.512 ( -5.793 1.605 1.733) 6.256 7.622 ( 2.786 -0.451 -3.417) 4.432 8.080 ( -6.860 0.275 -5.378) 8.721 8.316 ( 4.329 -0.700 6.502) 7.843 8.369 ( 2.298 -0.729 3.732) 4.443 9.456 ( -3.801 -1.814 -6.768) 7.971 9.826 ( 4.278 4.254 -0.012) 6.033 10.144 ( -2.426 2.430 -4.971) 6.042 10.630 ( 5.800 -7.807 -6.495) 11.695 11.718 ( -9.923 8.863 4.238) 13.964 12.140 ( 5.438 4.952 7.117) 10.235 16.237 ( -3.631 2.503 -2.390) 5.016 16.513 ( 3.587 3.419 3.819) 6.256 17.186 ( -1.902 1.203 0.713) 2.361 17.219 ( 0.426 0.508 1.231) 1.398 17.553 ( -1.243 1.025 -0.216) 1.626 17.724 ( 3.659 -1.563 1.328) 4.195 17.873 ( -8.161 -10.602 -10.343) 16.910 18.199 ( 6.546 -0.341 4.159) 7.763 ======================= Grid point 376 (196/250) ======================= q-point: (-0.44 -0.44 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( -11.497 0.000 2.819) 11.838 1.425 ( -3.509 0.000 8.321) 9.031 1.785 ( -7.129 0.000 4.009) 8.179 1.924 ( -4.203 0.000 -1.624) 4.506 2.025 ( -1.204 0.000 -1.075) 1.614 2.393 ( 1.718 -0.000 -3.843) 4.210 2.753 ( -3.214 0.000 0.793) 3.311 2.978 ( 3.835 -0.000 -3.603) 5.262 3.544 ( -2.337 0.000 19.329) 19.470 4.325 ( 14.732 -0.000 -0.109) 14.733 5.056 ( 4.642 -0.000 4.340) 6.355 5.370 ( -10.244 0.000 -15.565) 18.633 5.790 ( 0.150 -0.000 -7.206) 7.207 5.956 ( -4.487 0.000 -12.117) 12.921 6.135 ( -3.268 0.000 6.696) 7.450 6.749 ( 6.960 -0.000 -6.765) 9.706 7.226 ( -1.940 0.000 1.133) 2.247 7.484 ( 7.173 -0.000 -4.945) 8.712 7.860 ( -9.548 0.000 7.034) 11.859 8.074 ( 5.651 -0.000 4.730) 7.370 8.165 ( 2.543 -0.000 2.070) 3.279 8.304 ( -5.236 0.000 -4.868) 7.149 9.503 ( -4.851 0.000 3.342) 5.891 9.935 ( 7.475 -0.000 -2.642) 7.928 10.267 ( 2.004 -0.000 2.567) 3.257 10.615 ( -7.990 0.000 -19.131) 20.733 12.019 ( 8.508 -0.000 7.599) 11.407 12.147 ( -2.131 0.000 3.464) 4.067 16.514 ( 4.629 -0.000 3.453) 5.775 16.560 ( 6.665 -0.000 4.396) 7.984 17.105 ( 0.925 -0.000 1.831) 2.052 17.190 ( -2.494 0.000 -3.462) 4.267 17.348 ( 1.230 -0.000 0.608) 1.372 17.625 ( -9.640 0.000 -13.082) 16.250 17.830 ( -9.429 0.000 5.727) 11.032 18.358 ( 8.599 -0.000 -6.971) 11.069 ======================= Grid point 377 (197/250) ======================= q-point: (-0.33 -0.44 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.326 ( -7.474 -1.459 7.960) 11.016 1.412 ( -9.050 -0.039 8.872) 12.673 1.759 ( -0.827 -0.154 4.407) 4.487 1.859 ( -2.074 1.947 0.510) 2.890 2.039 ( -2.222 -3.198 0.072) 3.895 2.400 ( 0.600 -0.481 -1.768) 1.928 2.700 ( -3.596 1.472 -2.268) 4.499 2.980 ( 2.515 1.169 -3.045) 4.119 3.656 ( 0.135 -4.052 15.183) 15.715 4.428 ( 7.384 0.258 -5.770) 9.375 5.070 ( -4.649 4.890 -3.230) 7.481 5.181 ( -1.299 2.259 -1.558) 3.036 5.789 ( -2.653 -3.378 -8.418) 9.450 5.921 ( 2.059 -4.180 -7.155) 8.539 6.196 ( 3.064 -3.011 6.212) 7.553 6.802 ( 6.684 -0.966 -5.419) 8.659 7.210 ( -1.166 0.660 1.246) 1.830 7.539 ( 6.128 -0.534 -4.272) 7.490 7.742 ( -11.303 2.879 4.365) 12.454 8.126 ( -2.103 -1.115 0.440) 2.421 8.232 ( 5.856 -0.811 6.020) 8.438 8.273 ( 1.365 -0.361 -1.838) 2.318 9.454 ( -6.597 -0.449 -0.072) 6.613 9.973 ( 5.986 2.035 -2.503) 6.800 10.299 ( 0.916 0.466 2.731) 2.918 10.446 ( -7.388 -0.318 -15.961) 17.591 12.094 ( 2.794 3.287 5.101) 6.680 12.135 ( -1.710 -1.334 1.474) 2.622 16.505 ( -0.133 4.404 -0.924) 4.502 16.615 ( 3.782 1.973 1.262) 4.448 17.140 ( 3.059 -0.614 5.056) 5.941 17.197 ( -0.899 -3.867 -2.904) 4.919 17.400 ( 4.025 -2.461 3.788) 6.051 17.508 ( -6.987 -2.638 -10.260) 12.691 17.757 ( -8.347 0.832 5.124) 9.829 18.379 ( 7.291 3.664 -6.294) 10.305 ======================= Grid point 378 (198/250) ======================= q-point: (-0.22 -0.44 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.302 ( -11.434 1.264 11.469) 16.244 1.366 ( -6.764 -3.241 5.219) 9.137 1.813 ( 2.569 -1.843 3.970) 5.075 1.851 ( 4.108 0.780 5.160) 6.641 2.085 ( -2.679 -4.484 2.250) 5.688 2.396 ( -0.450 0.887 0.895) 1.338 2.620 ( -3.852 0.606 -7.040) 8.047 2.972 ( 2.953 1.576 -2.415) 4.127 3.787 ( 0.097 -4.354 7.456) 8.635 4.408 ( -0.729 2.571 -7.599) 8.055 4.845 ( -9.628 4.524 -6.717) 12.581 5.223 ( 8.712 3.762 10.056) 13.827 5.810 ( -1.453 -7.448 -11.244) 13.565 6.030 ( 4.477 -5.270 -1.978) 7.192 6.334 ( 5.811 -3.893 5.578) 8.946 6.859 ( 4.856 -0.987 -5.041) 7.069 7.197 ( -0.155 0.631 2.475) 2.559 7.532 ( -8.553 0.667 -0.091) 8.579 7.655 ( 2.093 0.739 0.840) 2.373 8.076 ( -6.877 0.094 -3.558) 7.744 8.309 ( 3.785 0.261 6.053) 7.143 8.345 ( 7.055 -1.094 1.979) 7.409 9.393 ( -5.793 -1.297 -3.776) 7.036 9.971 ( 4.712 3.303 -1.859) 6.047 10.220 ( -5.616 2.078 -8.420) 10.332 10.424 ( 0.415 -4.061 -1.649) 4.403 11.971 ( -9.437 5.131 -2.149) 10.955 12.207 ( 5.677 -0.198 6.227) 8.428 16.367 ( -4.947 4.985 -4.689) 8.444 16.629 ( 4.395 2.645 4.062) 6.543 17.183 ( 1.224 0.212 2.482) 2.775 17.240 ( -0.057 -1.627 -2.071) 2.634 17.468 ( -6.177 -6.160 -9.870) 13.172 17.574 ( 7.651 -5.678 7.541) 12.151 17.681 ( -6.265 1.297 3.746) 7.414 18.335 ( 5.828 5.847 -3.332) 8.902 ======================= Grid point 379 (199/250) ======================= q-point: (-0.11 -0.44 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( -10.205 -1.000 10.975) 15.020 1.364 ( -6.429 -1.931 1.416) 6.861 1.890 ( 2.611 -1.782 4.999) 5.914 1.945 ( 5.008 -1.562 4.650) 7.010 2.167 ( 0.984 -4.326 4.525) 6.337 2.376 ( -0.549 1.302 2.733) 3.077 2.542 ( -3.922 -0.507 -9.628) 10.409 2.961 ( 2.467 1.647 -2.284) 3.744 3.855 ( 0.111 -1.551 -1.766) 2.353 4.274 ( -5.648 4.861 -4.137) 8.523 4.704 ( -6.254 1.209 1.436) 6.529 5.296 ( 10.657 4.033 8.021) 13.935 5.908 ( 0.277 -10.148 -13.069) 16.549 6.149 ( 3.950 -3.245 0.869) 5.185 6.480 ( 5.151 -3.567 3.968) 7.416 6.868 ( 0.580 1.025 -5.098) 5.232 7.231 ( 2.550 -1.653 4.973) 5.828 7.432 ( -7.799 -0.110 1.969) 8.045 7.679 ( 1.064 0.281 0.551) 1.231 7.966 ( -7.701 1.407 -5.082) 9.333 8.388 ( 5.075 -0.736 6.898) 8.595 8.419 ( 4.398 0.336 1.008) 4.525 9.359 ( -2.100 -2.317 -6.766) 7.454 9.931 ( 1.111 4.561 -0.772) 4.757 10.121 ( -1.215 0.319 -7.433) 7.539 10.517 ( 0.904 -6.482 -1.643) 6.748 11.742 ( -11.566 6.782 -1.992) 13.555 12.291 ( 5.401 0.831 7.016) 8.893 16.232 ( -3.684 2.835 -3.612) 5.886 16.639 ( 2.884 3.342 5.941) 7.401 17.189 ( -0.106 0.783 1.358) 1.571 17.236 ( -0.262 0.627 -0.575) 0.890 17.478 ( -5.768 -6.652 -10.087) 13.389 17.631 ( -3.249 -0.302 1.402) 3.552 17.752 ( 4.431 -3.289 2.400) 6.018 18.309 ( 6.404 3.030 3.079) 7.725 ======================= Grid point 386 (200/250) ======================= q-point: (-0.33 -0.33 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( -5.950 0.000 11.408) 12.866 1.371 ( -10.408 0.000 12.208) 16.043 1.798 ( 4.176 -0.000 3.985) 5.772 1.831 ( -5.876 0.000 5.468) 8.026 2.002 ( 1.200 -0.000 -3.366) 3.574 2.393 ( 0.154 -0.000 -1.773) 1.780 2.673 ( -3.259 0.000 -2.064) 3.858 2.989 ( 1.189 -0.000 -2.304) 2.592 3.695 ( 1.377 -0.000 12.297) 12.374 4.439 ( 0.950 -0.000 -8.071) 8.127 5.001 ( -11.148 0.000 -13.726) 17.683 5.202 ( 2.764 -0.000 4.803) 5.542 5.781 ( 4.268 -0.000 0.894) 4.360 5.849 ( 3.469 -0.000 -6.993) 7.806 6.267 ( 8.618 -0.000 6.177) 10.603 6.833 ( 5.561 -0.000 -5.235) 7.637 7.215 ( -0.602 0.000 2.116) 2.199 7.556 ( 0.214 -0.000 -1.863) 1.875 7.656 ( -12.531 0.000 3.124) 12.914 8.091 ( -0.452 0.000 -2.893) 2.928 8.307 ( 5.549 -0.000 5.992) 8.167 8.320 ( 5.758 -0.000 1.680) 5.998 9.374 ( -7.303 0.000 -1.823) 7.527 10.025 ( 4.133 -0.000 -4.654) 6.224 10.283 ( -8.387 0.000 -13.912) 16.245 10.338 ( 0.662 -0.000 5.499) 5.539 12.049 ( -7.024 0.000 -2.817) 7.568 12.201 ( 3.971 -0.000 2.677) 4.789 16.506 ( -4.934 0.000 -6.342) 8.035 16.659 ( 0.615 -0.000 -1.609) 1.723 17.129 ( -0.996 0.000 -0.391) 1.070 17.216 ( 6.813 -0.000 6.774) 9.608 17.397 ( -3.826 0.000 -6.458) 7.506 17.438 ( 4.614 -0.000 5.925) 7.509 17.717 ( -6.121 0.000 5.309) 8.103 18.460 ( 7.401 -0.000 -6.508) 9.855 ======================= Grid point 387 (201/250) ======================= q-point: (-0.22 -0.33 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( -9.223 1.941 14.378) 17.192 1.305 ( -6.159 -0.333 10.418) 12.107 1.818 ( -1.848 -1.349 7.092) 7.452 1.900 ( 4.941 -2.527 4.949) 7.435 2.016 ( 1.008 -1.721 -1.760) 2.660 2.383 ( -1.820 -0.839 -2.376) 3.108 2.610 ( -1.173 3.082 -2.451) 4.108 2.998 ( 2.116 0.039 -1.998) 2.910 3.771 ( 1.154 -1.928 6.500) 6.877 4.386 ( -2.497 1.074 -7.491) 7.969 4.790 ( -9.059 4.145 -9.226) 13.578 5.273 ( -1.333 -5.658 -0.724) 5.858 5.780 ( 8.487 4.111 -0.503) 9.444 5.989 ( 7.468 -6.007 1.500) 9.701 6.402 ( 9.890 -1.029 5.464) 11.346 6.865 ( 3.887 -0.656 -5.558) 6.814 7.212 ( -1.910 0.367 3.200) 3.745 7.480 ( -8.050 2.531 2.700) 8.860 7.605 ( -6.757 -3.616 1.913) 7.898 8.061 ( 1.392 2.810 -4.191) 5.235 8.380 ( 3.045 0.276 7.152) 7.778 8.407 ( 7.607 -1.066 0.186) 7.684 9.299 ( -5.316 -0.862 -4.071) 6.751 10.030 ( 3.184 0.622 -6.074) 6.887 10.143 ( -5.967 1.287 -8.681) 10.612 10.379 ( -1.125 -1.878 5.059) 5.512 11.923 ( -9.342 3.213 -5.191) 11.159 12.248 ( 1.681 -1.944 0.489) 2.616 16.364 ( -6.411 4.063 -6.655) 10.095 16.661 ( -1.773 -2.049 -2.129) 3.446 17.153 ( -0.920 -3.062 -0.879) 3.316 17.284 ( 6.092 3.565 5.802) 9.137 17.344 ( -2.610 -0.099 -4.153) 4.906 17.577 ( 5.132 -5.212 6.719) 9.932 17.684 ( -2.148 1.036 5.752) 6.227 18.470 ( 6.831 3.931 -4.723) 9.188 ======================= Grid point 388 (202/250) ======================= q-point: (-0.11 -0.33 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.196 ( -8.866 2.126 14.753) 17.343 1.308 ( -4.422 0.068 7.164) 8.419 1.877 ( -0.506 -2.860 4.799) 5.609 1.986 ( 3.287 0.083 0.419) 3.314 2.109 ( 1.865 -6.486 6.858) 9.622 2.362 ( -3.560 -1.263 -2.733) 4.662 2.539 ( 2.635 4.126 -2.790) 5.635 3.002 ( 2.379 1.308 -2.044) 3.398 3.834 ( 2.303 -1.607 -0.414) 2.838 4.279 ( -4.073 3.921 -5.266) 7.727 4.640 ( -6.911 0.172 -2.377) 7.310 5.348 ( -3.882 -6.585 -2.573) 8.066 5.836 ( 12.223 1.427 -1.798) 12.436 6.158 ( 6.622 -3.244 3.274) 8.068 6.536 ( 8.612 -0.543 4.317) 9.648 6.862 ( -0.440 1.085 -5.495) 5.618 7.216 ( -2.401 -3.099 4.114) 5.683 7.403 ( -3.770 1.240 5.299) 6.620 7.606 ( -6.919 -3.106 2.595) 8.016 7.982 ( 0.439 5.026 -4.550) 6.794 8.437 ( 0.234 -0.650 9.367) 9.392 8.483 ( 7.416 0.490 -3.443) 8.191 9.273 ( -0.425 -2.501 -6.509) 6.986 9.991 ( -2.278 3.641 -2.200) 4.826 10.079 ( 2.984 -1.491 -8.296) 8.942 10.424 ( -2.704 -3.570 3.443) 5.649 11.716 ( -10.605 5.367 -4.585) 12.739 12.310 ( -0.136 -3.887 -0.299) 3.901 16.227 ( -3.298 2.690 -3.906) 5.777 16.665 ( -3.883 -2.274 -0.788) 4.568 17.189 ( -1.009 -2.744 -2.239) 3.682 17.284 ( 4.211 4.818 3.506) 7.296 17.316 ( -2.309 -1.525 -1.345) 3.077 17.644 ( 0.225 0.461 1.932) 1.998 17.755 ( 3.039 -2.038 4.910) 6.124 18.451 ( 6.805 4.219 0.461) 8.020 ======================= Grid point 396 (203/250) ======================= q-point: (-0.22 -0.22 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( -9.491 0.000 14.087) 16.986 1.313 ( -3.115 0.000 12.986) 13.355 1.815 ( -3.857 0.000 14.749) 15.246 1.945 ( 5.528 -0.000 2.937) 6.260 2.018 ( 3.664 -0.000 -4.832) 6.064 2.325 ( -3.427 0.000 -6.427) 7.284 2.641 ( 1.433 -0.000 0.985) 1.738 3.015 ( 3.094 -0.000 -1.629) 3.497 3.796 ( 1.975 -0.000 4.036) 4.493 4.336 ( -2.998 0.000 -6.083) 6.782 4.704 ( -6.807 0.000 -10.342) 12.381 5.137 ( -6.650 0.000 -6.900) 9.583 5.985 ( 11.954 -0.000 -0.124) 11.954 6.010 ( 9.915 -0.000 9.563) 13.775 6.532 ( 11.677 -0.000 5.392) 12.862 6.868 ( 2.945 -0.000 -6.246) 6.906 7.178 ( -8.139 0.000 2.595) 8.542 7.442 ( -10.770 0.000 5.985) 12.321 7.520 ( -0.324 0.000 4.498) 4.510 8.091 ( 0.806 -0.000 -3.838) 3.921 8.441 ( 1.614 -0.000 5.336) 5.575 8.473 ( 8.215 -0.000 -0.444) 8.227 9.228 ( -2.599 0.000 -4.310) 5.033 10.024 ( 3.596 -0.000 -9.401) 10.066 10.080 ( -3.677 0.000 -3.966) 5.409 10.368 ( -3.374 0.000 6.504) 7.327 11.838 ( -8.860 0.000 -6.323) 10.885 12.197 ( -3.747 0.000 -5.549) 6.696 16.306 ( -5.858 0.000 -6.162) 8.502 16.573 ( -4.767 0.000 -4.860) 6.807 17.123 ( -0.928 0.000 1.365) 1.650 17.303 ( -2.036 0.000 -2.299) 3.071 17.447 ( 7.795 -0.000 5.129) 9.331 17.577 ( 1.185 -0.000 3.978) 4.151 17.732 ( 3.551 -0.000 10.305) 10.900 18.556 ( 7.433 -0.000 -5.305) 9.132 ======================= Grid point 397 (204/250) ======================= q-point: (-0.11 -0.22 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( -6.915 2.357 14.392) 16.140 1.326 ( -3.673 0.916 11.681) 12.279 1.862 ( -1.810 -0.642 11.840) 11.995 2.019 ( 3.819 0.537 -4.827) 6.178 2.061 ( 2.456 -4.547 5.655) 7.661 2.272 ( -2.857 -1.820 -7.598) 8.319 2.644 ( 3.836 3.160 1.816) 5.291 3.039 ( 3.348 0.596 -1.702) 3.803 3.844 ( 3.739 -0.926 0.722) 3.919 4.270 ( -2.990 1.374 -4.964) 5.956 4.573 ( -5.281 2.332 -6.351) 8.583 5.103 ( -8.048 -8.079 -9.004) 14.529 6.054 ( 13.117 4.584 4.736) 14.679 6.198 ( 8.072 -3.070 4.758) 9.860 6.667 ( 10.928 1.282 5.129) 12.140 6.853 ( -0.301 1.358 -5.677) 5.845 7.115 ( -7.826 -3.564 1.762) 8.778 7.374 ( -9.407 -0.831 9.403) 13.327 7.579 ( 4.651 -0.197 5.338) 7.083 8.033 ( -2.670 3.312 -3.500) 5.509 8.463 ( -1.326 0.133 5.947) 6.094 8.549 ( 7.132 0.180 -3.060) 7.763 9.220 ( 2.733 -1.425 -4.952) 5.832 9.988 ( -4.101 1.386 -4.563) 6.289 10.082 ( 9.153 -0.883 -6.239) 11.113 10.362 ( -5.460 -1.412 5.882) 8.148 11.674 ( -9.349 4.248 -6.166) 11.978 12.161 ( -6.979 -5.946 -7.810) 12.043 16.224 ( -1.449 1.673 -3.343) 4.009 16.531 ( -6.261 -3.429 -4.350) 8.360 17.130 ( -1.625 -1.561 0.625) 2.338 17.273 ( -2.290 -0.084 -1.394) 2.683 17.469 ( 5.269 5.319 4.304) 8.636 17.637 ( 1.771 -2.900 -0.083) 3.399 17.824 ( 4.285 1.729 11.390) 12.291 18.584 ( 7.367 2.900 -2.717) 8.371 ======================= Grid point 406 (205/250) ======================= q-point: (-0.11 -0.11 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.246 ( -5.259 0.000 12.908) 13.938 1.345 ( -4.245 0.000 12.372) 13.080 1.922 ( -0.796 0.000 15.101) 15.122 2.031 ( 2.357 -0.000 -7.676) 8.030 2.067 ( 3.652 -0.000 4.031) 5.439 2.196 ( -0.741 0.000 -7.805) 7.840 2.723 ( 4.060 -0.000 2.422) 4.727 3.074 ( 3.621 -0.000 -1.601) 3.959 3.883 ( 4.132 -0.000 1.549) 4.413 4.215 ( -4.942 0.000 -4.576) 6.735 4.546 ( -0.053 0.000 -8.751) 8.751 4.892 ( -8.889 0.000 -8.212) 12.102 6.245 ( 4.930 -0.000 6.577) 8.219 6.266 ( 12.542 -0.000 1.939) 12.691 6.811 ( 5.844 -0.000 5.346) 7.920 6.852 ( 1.150 -0.000 -5.873) 5.985 7.001 ( -3.866 0.000 2.329) 4.513 7.324 ( -6.763 0.000 12.094) 13.856 7.676 ( 7.464 -0.000 6.285) 9.758 8.001 ( -6.127 0.000 -2.812) 6.742 8.463 ( -3.130 0.000 4.972) 5.876 8.599 ( 4.671 -0.000 -4.359) 6.389 9.248 ( 8.274 -0.000 -3.130) 8.846 9.920 ( -5.822 0.000 -6.693) 8.871 10.184 ( 16.362 -0.000 -4.547) 16.982 10.309 ( -7.893 0.000 6.343) 10.126 11.600 ( -8.134 0.000 -6.489) 10.405 11.949 ( -12.093 0.000 -11.454) 16.657 16.229 ( 2.262 -0.000 -2.252) 3.192 16.419 ( -6.084 0.000 -3.309) 6.925 17.104 ( -1.896 0.000 1.375) 2.343 17.241 ( -2.724 0.000 -1.133) 2.950 17.584 ( 2.709 -0.000 0.891) 2.851 17.601 ( 1.295 -0.000 -0.826) 1.536 17.964 ( 5.646 -0.000 14.379) 15.448 18.670 ( 7.346 -0.000 -4.116) 8.420 ======================= Grid point 407 (206/250) ======================= q-point: ( 0.00 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.506 ( -2.724 0.000 11.596) 11.912 1.618 ( 1.450 -0.000 7.934) 8.065 1.774 ( 0.136 -0.000 -11.189) 11.189 1.806 ( 0.356 -0.000 -7.922) 7.930 2.276 ( 1.059 -0.000 4.191) 4.323 2.313 ( 1.984 -0.000 1.349) 2.399 2.882 ( -0.670 0.000 5.755) 5.794 3.021 ( 2.244 -0.000 -6.584) 6.956 3.973 ( -10.921 0.000 0.299) 10.925 3.999 ( 7.443 -0.000 -0.868) 7.493 4.469 ( 1.925 -0.000 1.890) 2.698 4.568 ( -1.591 0.000 -6.095) 6.299 6.415 ( -3.671 0.000 4.539) 5.838 6.473 ( 4.872 -0.000 -1.113) 4.998 6.756 ( -8.097 0.000 1.434) 8.223 6.805 ( 7.864 -0.000 -2.935) 8.394 7.348 ( 10.996 -0.000 5.970) 12.512 7.442 ( -7.561 0.000 -2.156) 7.863 7.868 ( -0.647 0.000 2.038) 2.138 7.893 ( 2.527 -0.000 0.039) 2.528 8.546 ( -0.260 0.000 2.440) 2.454 8.548 ( -2.593 0.000 0.792) 2.711 9.443 ( 12.007 -0.000 0.959) 12.046 9.529 ( -9.109 0.000 -7.561) 11.839 10.291 ( -13.981 0.000 6.846) 15.567 10.439 ( 19.862 -0.000 -7.278) 21.153 11.373 ( 2.329 -0.000 -1.016) 2.541 11.399 ( -10.599 0.000 -4.125) 11.373 16.264 ( -4.838 0.000 0.114) 4.839 16.280 ( 5.136 -0.000 -1.380) 5.318 17.126 ( -0.163 0.000 1.975) 1.982 17.158 ( -1.720 0.000 -1.038) 2.009 17.587 ( -0.090 0.000 -0.441) 0.450 17.592 ( 1.023 -0.000 -0.933) 1.384 18.424 ( 0.088 -0.000 11.014) 11.014 18.621 ( 2.776 -0.000 -8.227) 8.683 ======================= Grid point 408 (207/250) ======================= q-point: ( 0.11 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.523 ( -2.418 0.797 10.259) 10.570 1.677 ( 4.006 0.943 0.447) 4.139 1.750 ( 2.200 -2.021 -1.401) 3.299 1.803 ( 1.157 -2.121 -7.824) 8.188 2.285 ( 0.655 1.280 2.868) 3.209 2.317 ( 0.600 1.246 -2.827) 3.147 2.878 ( -1.395 1.979 4.687) 5.275 2.989 ( 1.219 2.044 -7.186) 7.569 3.868 ( -10.962 -0.848 1.219) 11.062 4.063 ( 2.226 -1.346 1.485) 2.995 4.511 ( 2.608 -0.934 4.613) 5.381 4.595 ( 3.254 -4.792 -6.626) 8.801 6.377 ( -4.877 1.238 3.936) 6.388 6.500 ( 3.859 1.060 -2.914) 4.951 6.700 ( -6.320 -1.353 0.746) 6.506 6.884 ( 9.181 0.365 -1.610) 9.329 7.321 ( -9.560 1.005 -6.085) 11.377 7.447 ( 8.706 2.947 5.199) 10.560 7.863 ( -1.092 1.572 -1.172) 2.245 7.911 ( 3.240 -0.057 -0.676) 3.310 8.514 ( -2.200 1.222 3.876) 4.621 8.544 ( -1.807 0.832 1.557) 2.527 9.417 ( -6.909 -0.954 -8.339) 10.871 9.563 ( 9.873 0.044 1.742) 10.025 10.179 ( -12.642 -0.257 4.405) 13.390 10.592 ( 18.663 1.173 -10.374) 21.384 11.345 ( -7.777 -5.293 2.302) 9.685 11.476 ( 5.436 -6.180 3.167) 8.818 16.221 ( -4.489 -0.401 0.211) 4.512 16.325 ( 4.158 -0.406 -1.100) 4.320 17.136 ( -1.014 -0.236 1.467) 1.799 17.151 ( 0.114 -1.023 0.785) 1.294 17.585 ( 0.438 0.515 -1.238) 1.411 17.603 ( 1.555 -0.502 -0.397) 1.682 18.431 ( -1.973 3.095 8.450) 9.213 18.561 ( 0.489 3.948 -9.692) 10.477 ======================= Grid point 409 (208/250) ======================= q-point: ( 0.22 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( -3.313 1.474 3.694) 5.176 1.658 ( 3.169 3.216 -1.244) 4.684 1.836 ( 2.944 -3.080 -6.110) 7.449 1.878 ( 4.956 -4.578 6.597) 9.436 2.228 ( -2.784 2.616 -6.931) 7.914 2.308 ( 1.961 1.166 3.230) 3.954 2.819 ( -2.848 3.869 -0.193) 4.808 2.930 ( 1.459 2.595 -4.677) 5.544 3.792 ( -9.210 -1.812 0.813) 9.421 4.105 ( -1.911 -2.449 2.181) 3.795 4.603 ( -0.422 -4.998 6.532) 8.235 4.726 ( 10.954 -4.562 -3.431) 12.352 6.313 ( -4.702 2.130 2.354) 5.673 6.479 ( 2.202 3.422 -5.196) 6.600 6.672 ( -5.359 -2.101 -0.350) 5.766 6.908 ( 2.843 5.051 -3.072) 6.559 7.231 ( -2.130 -3.140 -3.370) 5.075 7.487 ( 6.722 3.899 5.158) 9.327 7.764 ( -5.491 3.784 -4.897) 8.274 7.943 ( 2.306 -0.508 -3.071) 3.874 8.488 ( -2.921 2.360 0.028) 3.756 8.523 ( 0.657 0.400 8.432) 8.467 9.343 ( -4.014 -1.506 -9.925) 10.811 9.662 ( 5.811 -0.854 3.803) 6.997 10.091 ( -8.295 -0.616 1.694) 8.489 10.678 ( 14.657 2.901 -11.795) 19.036 11.402 ( -6.454 -7.440 2.876) 10.261 11.731 ( 9.149 -10.390 9.958) 17.054 16.186 ( -3.577 -0.390 -0.301) 3.611 16.378 ( 3.288 -1.674 0.923) 3.803 17.136 ( -1.680 -0.914 1.373) 2.354 17.191 ( 1.628 -1.439 1.853) 2.856 17.560 ( -0.552 1.222 -2.197) 2.574 17.642 ( 2.812 -1.110 0.173) 3.029 18.297 ( -6.760 8.212 -6.860) 12.656 18.475 ( 1.822 4.084 1.619) 4.756 ======================= Grid point 410 (209/250) ======================= q-point: ( 0.33 0.00 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( -3.689 2.893 -2.258) 5.204 1.627 ( 0.157 3.694 3.189) 4.883 1.918 ( 4.710 -4.293 -3.632) 7.335 2.000 ( 3.225 0.361 2.413) 4.044 2.144 ( -1.692 -1.092 -3.536) 4.069 2.331 ( 1.696 0.225 3.649) 4.030 2.691 ( -3.944 4.842 -4.661) 7.793 2.893 ( 1.847 2.014 -2.119) 3.458 3.748 ( -6.291 -2.043 -0.348) 6.624 4.131 ( -3.505 -2.806 1.796) 4.836 4.713 ( -0.287 -4.820 4.349) 6.498 4.951 ( 13.457 -6.437 4.880) 15.695 6.212 ( -4.964 4.468 -5.449) 8.619 6.374 ( -0.855 5.845 -3.533) 6.883 6.653 ( -3.919 -1.196 -1.028) 4.224 6.792 ( -1.595 4.126 -4.031) 5.985 7.335 ( 4.765 -4.515 3.316) 7.354 7.501 ( 4.319 3.281 3.684) 6.556 7.616 ( -4.692 3.086 -5.015) 7.529 7.931 ( -2.966 -0.313 -5.588) 6.334 8.412 ( -1.581 2.943 0.491) 3.377 8.585 ( 2.425 -0.349 8.918) 9.249 9.290 ( -2.032 -0.874 -9.701) 9.950 9.746 ( 1.490 -2.296 4.666) 5.410 10.046 ( -2.906 -0.499 -0.984) 3.109 10.689 ( 9.436 4.219 -10.472) 14.714 11.476 ( -5.180 -6.307 2.096) 8.426 12.067 ( 9.334 -10.355 11.729) 18.219 16.158 ( -2.363 -0.243 -0.832) 2.517 16.472 ( 3.760 -3.845 4.423) 6.963 17.146 ( -1.529 -1.330 1.555) 2.555 17.242 ( 1.460 -1.177 1.992) 2.736 17.513 ( -1.803 1.389 -3.445) 4.129 17.689 ( 2.360 -0.972 -0.313) 2.571 18.006 ( -7.279 10.497 -11.409) 17.127 18.445 ( 1.785 3.351 4.261) 5.707 ======================= Grid point 411 (210/250) ======================= q-point: (-0.56 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.341 ( -2.947 2.104 -2.170) 4.221 1.550 ( -3.242 4.297 3.647) 6.502 1.975 ( 0.702 1.453 -1.889) 2.484 2.043 ( 3.951 -3.882 0.647) 5.576 2.174 ( 1.256 -0.996 0.607) 1.714 2.362 ( 0.764 -0.562 0.853) 1.276 2.557 ( -2.982 3.834 -2.472) 5.450 2.876 ( 1.494 0.732 -2.224) 2.778 3.730 ( -2.599 -1.646 -1.524) 3.434 4.147 ( -3.053 -2.106 1.177) 3.891 4.786 ( -0.733 -1.651 3.423) 3.870 5.254 ( 12.359 -8.420 10.468) 18.254 5.969 ( -6.630 9.683 -15.649) 19.560 6.296 ( 0.068 2.466 2.363) 3.416 6.620 ( -1.551 0.844 -0.231) 1.781 6.733 ( -0.939 -0.031 -3.328) 3.458 7.406 ( -1.333 0.962 4.112) 4.429 7.521 ( 2.322 1.198 1.248) 2.896 7.587 ( 6.572 -1.971 0.311) 6.868 7.835 ( -9.407 0.676 -6.387) 11.390 8.375 ( 0.683 0.959 0.049) 1.178 8.647 ( 1.827 0.311 7.610) 7.833 9.244 ( -0.266 0.228 -7.793) 7.801 9.812 ( -1.436 -3.020 3.620) 4.928 10.032 ( 1.097 0.341 -2.751) 2.981 10.643 ( 3.883 4.187 -6.322) 8.519 11.525 ( -4.170 -3.896 1.209) 5.833 12.337 ( 5.691 -5.667 7.593) 11.052 16.140 ( -1.146 -0.235 -0.915) 1.485 16.624 ( 4.290 -5.140 6.974) 9.668 17.163 ( -0.829 -1.208 1.209) 1.900 17.255 ( -1.629 0.986 0.014) 1.904 17.439 ( -2.908 1.742 -6.187) 7.055 17.686 ( -1.337 2.826 -2.966) 4.309 17.781 ( -0.392 3.267 -3.344) 4.692 18.435 ( 1.957 1.841 3.150) 4.141 ======================= Grid point 412 (211/250) ======================= q-point: (-0.44 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.304 ( -0.912 -0.821 1.024) 1.599 1.487 ( -3.499 1.446 8.802) 9.582 1.957 ( -0.235 0.424 -0.219) 0.532 2.055 ( -2.739 3.156 0.242) 4.186 2.246 ( 5.331 -2.601 -5.929) 8.387 2.358 ( 0.368 0.579 0.628) 0.930 2.497 ( -1.319 0.833 3.830) 4.135 2.882 ( 1.168 -1.215 -2.647) 3.138 3.738 ( 1.443 -1.000 -2.411) 2.982 4.152 ( -1.726 -0.941 0.576) 2.049 4.775 ( -3.475 2.211 3.397) 5.339 5.471 ( -2.948 2.367 -1.445) 4.048 5.754 ( 7.184 -0.755 -3.077) 7.851 6.294 ( 1.497 0.245 2.774) 3.162 6.613 ( 2.566 0.431 0.743) 2.706 6.719 ( -1.916 -1.387 -2.373) 3.350 7.417 ( 2.227 -1.149 2.634) 3.636 7.493 ( 0.850 5.084 2.781) 5.857 7.683 ( -11.311 0.150 -5.961) 12.786 7.726 ( 6.092 -3.462 2.975) 7.613 8.384 ( 0.417 -1.450 -1.057) 1.842 8.675 ( 0.503 1.251 5.423) 5.588 9.209 ( 1.777 1.331 -5.043) 5.510 9.849 ( -3.122 -2.603 0.809) 4.144 10.029 ( 4.154 1.454 -3.102) 5.384 10.581 ( -1.327 2.495 -0.333) 2.846 11.534 ( -3.352 -1.235 0.227) 3.579 12.419 ( -0.526 1.513 -0.179) 1.611 16.136 ( 0.165 -0.345 -0.592) 0.705 16.716 ( -2.351 0.712 0.078) 2.458 17.184 ( -0.369 -0.083 -1.014) 1.082 17.215 ( 1.531 -1.840 1.767) 2.975 17.373 ( -0.981 1.413 -0.456) 1.780 17.647 ( 1.386 -0.370 0.912) 1.700 17.763 ( -0.562 -0.370 -0.967) 1.178 18.454 ( 2.361 -0.334 1.369) 2.750 ======================= Grid point 413 (212/250) ======================= q-point: (-0.33 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.353 ( 0.580 -2.881 4.823) 5.647 1.507 ( -3.012 -1.268 13.145) 13.545 1.945 ( -3.357 1.917 -3.848) 5.454 1.965 ( 0.044 0.471 2.087) 2.140 2.209 ( -1.159 3.718 -7.029) 8.036 2.371 ( 1.541 2.220 0.663) 2.783 2.565 ( 2.674 -5.029 6.722) 8.811 2.916 ( 1.538 -2.457 -3.410) 4.476 3.773 ( 5.307 -0.490 -3.065) 6.148 4.150 ( -0.837 -0.216 -0.282) 0.909 4.677 ( -6.146 4.710 3.989) 8.710 5.202 ( -8.215 9.861 -14.085) 19.055 6.009 ( 11.415 -7.477 9.769) 16.782 6.334 ( 1.937 -1.035 3.186) 3.870 6.661 ( 5.502 -0.470 -0.808) 5.580 6.730 ( -0.825 -2.723 0.964) 3.005 7.361 ( -5.948 7.272 0.987) 9.446 7.511 ( 4.837 -2.202 4.726) 7.112 7.593 ( -3.845 -1.981 -3.596) 5.625 7.835 ( 1.885 -2.718 2.767) 4.313 8.421 ( -0.138 -3.057 -0.901) 3.190 8.663 ( -0.770 1.928 2.429) 3.196 9.193 ( 3.967 1.945 -1.610) 4.702 9.840 ( -4.389 -1.297 -3.310) 5.648 10.051 ( 8.090 1.497 -2.200) 8.516 10.528 ( -5.910 0.655 4.998) 7.768 11.503 ( -2.729 0.949 -0.873) 3.018 12.276 ( -6.704 8.011 -7.865) 13.076 16.151 ( 1.732 -0.434 -0.227) 1.800 16.582 ( -6.407 4.788 -5.624) 9.777 17.167 ( -0.676 0.487 -0.717) 1.099 17.272 ( -0.784 0.607 -0.667) 1.195 17.418 ( 4.563 -3.004 5.834) 7.993 17.693 ( 2.268 0.893 -0.148) 2.442 17.807 ( 0.868 -7.123 6.330) 9.569 18.502 ( 2.674 -1.899 -0.867) 3.392 ======================= Grid point 414 (213/250) ======================= q-point: (-0.22 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( -0.882 -2.318 8.111) 8.482 1.554 ( -2.186 -0.502 10.829) 11.058 1.855 ( -2.392 1.004 -6.861) 7.335 1.999 ( -2.031 -0.332 0.129) 2.062 2.106 ( 1.409 1.959 -1.165) 2.679 2.336 ( 0.205 2.610 1.664) 3.102 2.720 ( 3.065 -4.883 6.416) 8.626 2.962 ( 2.367 -2.534 -4.709) 5.848 3.835 ( 8.336 -0.211 -3.424) 9.014 4.135 ( -2.203 -0.082 -1.612) 2.731 4.547 ( -6.335 4.458 5.158) 9.306 4.904 ( -5.835 8.657 -12.830) 16.541 6.254 ( 7.847 -4.501 7.013) 11.446 6.387 ( 1.100 -1.120 3.825) 4.134 6.705 ( 3.899 -0.549 -3.260) 5.112 6.827 ( 2.489 -4.350 4.272) 6.586 7.184 ( -3.971 5.911 1.663) 7.313 7.533 ( -3.671 0.002 2.834) 4.638 7.690 ( 6.864 -4.510 1.167) 8.296 7.883 ( -1.991 -1.803 1.871) 3.273 8.474 ( -0.411 -3.223 0.543) 3.295 8.620 ( -1.505 1.979 -0.095) 2.488 9.220 ( 7.320 1.115 1.074) 7.482 9.774 ( -6.239 -0.027 -6.283) 8.855 10.130 ( 13.049 0.692 -2.367) 13.280 10.473 ( -9.682 -0.025 7.850) 12.465 11.444 ( -2.157 1.963 -1.935) 3.500 11.969 ( -10.461 10.888 -11.849) 19.194 16.184 ( 3.438 -0.396 -0.213) 3.468 16.427 ( -5.354 3.288 -3.661) 7.272 17.146 ( -0.782 0.820 0.245) 1.160 17.230 ( -1.974 1.113 -1.586) 2.766 17.515 ( 2.220 -1.950 2.321) 3.758 17.662 ( -0.656 1.898 -1.874) 2.747 18.059 ( 5.777 -9.738 13.070) 17.293 18.557 ( 2.880 -2.122 -3.535) 5.029 ======================= Grid point 415 (214/250) ======================= q-point: (-0.11 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.480 ( -3.135 -0.879 10.843) 11.322 1.582 ( -0.006 0.509 7.997) 8.013 1.804 ( -1.163 -1.149 -8.741) 8.893 1.895 ( -2.204 3.599 -8.842) 9.798 2.193 ( 2.876 -3.396 7.004) 8.298 2.310 ( 0.985 2.077 2.250) 3.216 2.834 ( 0.837 -2.535 6.252) 6.798 3.005 ( 2.922 -1.771 -5.881) 6.802 3.916 ( 9.360 -0.095 -2.841) 9.782 4.079 ( -6.909 0.484 -1.681) 7.127 4.467 ( -2.840 1.475 4.466) 5.494 4.681 ( -3.167 5.741 -9.412) 11.470 6.392 ( 2.946 -2.177 4.182) 5.560 6.425 ( 1.755 -0.180 2.374) 2.958 6.745 ( 4.907 -0.530 -2.887) 5.718 6.851 ( -7.393 0.536 1.024) 7.483 7.189 ( 9.750 -0.749 6.353) 11.661 7.502 ( -4.925 -0.229 1.394) 5.124 7.825 ( 4.343 -2.839 1.705) 5.462 7.883 ( -2.539 -0.410 1.524) 2.990 8.520 ( -0.782 -2.030 1.789) 2.816 8.576 ( -1.356 1.003 -0.258) 1.706 9.314 ( 10.812 -0.207 1.347) 10.898 9.662 ( -8.370 0.577 -7.314) 11.131 10.268 ( 17.361 -0.032 -4.186) 17.859 10.396 ( -12.371 0.061 8.152) 14.816 11.386 ( -1.023 1.259 -2.462) 2.949 11.628 ( -11.158 8.447 -10.213) 17.325 16.230 ( 4.740 -0.247 -0.705) 4.798 16.326 ( -4.702 1.374 -1.206) 5.045 17.129 ( -0.746 0.569 1.268) 1.577 17.188 ( -1.840 0.587 -1.671) 2.554 17.565 ( 1.054 -1.327 0.570) 1.788 17.615 ( -0.781 1.448 -1.512) 2.234 18.308 ( 3.504 -5.518 12.981) 14.534 18.601 ( 3.424 -1.663 -6.212) 7.286 ======================= Grid point 417 (215/250) ======================= q-point: ( 0.11 0.11 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( -2.368 0.000 8.381) 8.709 1.718 ( 4.680 -0.000 -11.645) 12.550 1.753 ( 4.552 -0.000 6.427) 7.876 1.796 ( 4.201 -0.000 -2.090) 4.692 2.298 ( -0.676 0.000 -0.587) 0.895 2.320 ( 0.072 -0.000 -4.834) 4.835 2.901 ( -1.803 0.000 4.514) 4.860 2.976 ( -0.504 0.000 -7.538) 7.555 3.760 ( -10.046 0.000 3.040) 10.496 4.049 ( -5.605 0.000 7.632) 9.469 4.516 ( 0.489 -0.000 -2.825) 2.867 4.632 ( 13.822 -0.000 -1.731) 13.930 6.348 ( -5.509 0.000 2.249) 5.950 6.533 ( 3.825 -0.000 -4.312) 5.764 6.624 ( -6.758 0.000 1.284) 6.879 6.986 ( 9.895 -0.000 -1.667) 10.035 7.192 ( -10.003 0.000 -7.085) 12.258 7.573 ( 7.124 -0.000 2.132) 7.436 7.868 ( -1.783 0.000 -3.559) 3.981 7.909 ( -0.728 0.000 -1.052) 1.279 8.515 ( -1.205 0.000 3.510) 3.711 8.547 ( -2.468 0.000 3.474) 4.261 9.314 ( -3.140 0.000 -9.127) 9.652 9.653 ( 4.665 -0.000 3.051) 5.574 10.081 ( -7.877 0.000 1.910) 8.106 10.730 ( 16.487 -0.000 -14.959) 22.262 11.260 ( -3.451 0.000 7.979) 8.693 11.515 ( 7.682 -0.000 8.220) 11.251 16.180 ( -3.059 0.000 0.475) 3.096 16.349 ( 2.236 -0.000 -0.631) 2.323 17.122 ( -1.808 0.000 0.927) 2.032 17.160 ( 1.259 -0.000 2.741) 3.017 17.596 ( -0.477 0.000 -0.594) 0.762 17.616 ( 4.406 -0.000 -1.626) 4.696 18.461 ( -4.234 0.000 6.924) 8.116 18.539 ( -1.840 0.000 -12.305) 12.441 ======================= Grid point 418 (216/250) ======================= q-point: ( 0.22 0.11 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.531 ( -2.710 2.511 3.245) 4.917 1.729 ( 5.372 0.326 -7.790) 9.469 1.812 ( 4.624 -0.216 0.359) 4.643 1.898 ( 6.455 -3.713 5.405) 9.202 2.222 ( -2.761 3.779 -7.248) 8.628 2.322 ( -0.028 -1.476 -1.993) 2.480 2.853 ( -3.192 4.055 -0.985) 5.254 2.940 ( -0.525 -0.068 -3.315) 3.357 3.695 ( -7.152 -0.832 4.157) 8.314 4.033 ( -8.053 -2.131 9.270) 12.463 4.549 ( 1.773 -3.134 0.680) 3.665 4.802 ( 16.593 -2.254 -2.544) 16.937 6.284 ( -6.174 0.709 -1.465) 6.385 6.523 ( 0.756 2.326 -4.430) 5.060 6.586 ( -3.852 -1.792 0.798) 4.323 6.943 ( -8.948 2.967 -7.609) 12.115 7.189 ( 9.262 -2.515 -1.034) 9.653 7.622 ( 5.553 2.015 0.778) 5.959 7.751 ( -7.086 4.546 -5.026) 9.805 7.908 ( -3.489 -1.611 -1.386) 4.085 8.503 ( -2.572 1.989 1.980) 3.807 8.554 ( 0.419 -1.201 5.426) 5.573 9.270 ( 1.946 -0.178 -9.751) 9.945 9.686 ( -2.609 -0.956 5.407) 6.080 10.043 ( -0.099 0.180 -0.599) 0.633 10.791 ( 11.663 1.307 -16.519) 20.263 11.315 ( 0.442 -2.081 10.374) 10.590 11.715 ( 9.385 -7.461 11.747) 16.785 16.160 ( -1.228 0.161 0.455) 1.320 16.377 ( 1.030 -1.468 1.456) 2.310 17.113 ( -1.989 -0.440 1.893) 2.781 17.196 ( 1.652 -0.970 2.526) 3.171 17.570 ( -1.498 1.213 -1.331) 2.343 17.669 ( 6.269 -0.270 -1.887) 6.552 18.336 ( -6.562 7.555 -6.977) 12.200 18.492 ( -3.130 -1.270 -1.936) 3.893 ======================= Grid point 419 (217/250) ======================= q-point: ( 0.33 0.11 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.452 ( -2.959 3.725 -0.386) 4.773 1.718 ( 3.192 3.811 -2.658) 5.637 1.892 ( 5.456 -3.234 -1.204) 6.456 2.045 ( 3.703 -0.145 1.178) 3.888 2.096 ( -1.326 -0.266 -3.910) 4.137 2.341 ( 0.035 -1.359 -0.962) 1.666 2.713 ( -4.779 5.245 -4.155) 8.223 2.923 ( 0.175 0.991 -1.406) 1.729 3.679 ( -2.925 -1.139 3.913) 5.017 4.044 ( -6.668 -3.371 7.925) 10.892 4.656 ( 2.470 -4.805 3.786) 6.597 5.023 ( 16.311 -4.373 0.146) 16.888 6.172 ( -7.682 2.083 -8.480) 11.630 6.436 ( -1.954 4.567 -3.055) 5.832 6.589 ( -1.782 -1.529 -1.552) 2.815 6.769 ( -8.993 1.344 -5.219) 10.484 7.348 ( 10.402 -3.095 0.643) 10.872 7.567 ( -7.544 4.191 -3.249) 9.221 7.643 ( 4.416 1.672 0.851) 4.798 7.860 ( -6.650 0.332 -2.105) 6.983 8.436 ( -3.567 2.303 1.014) 4.365 8.618 ( 1.402 -1.810 4.717) 5.244 9.261 ( 5.429 0.864 -9.125) 10.653 9.704 ( -5.079 -2.800 6.811) 8.946 10.051 ( 3.765 0.829 -2.139) 4.409 10.780 ( 6.956 2.770 -15.136) 16.887 11.408 ( 1.568 -1.979 9.469) 9.800 12.031 ( 8.875 -10.396 11.936) 18.147 16.150 ( 0.280 0.676 0.295) 0.789 16.451 ( 1.751 -4.097 5.067) 6.747 17.114 ( -2.079 -1.052 2.573) 3.471 17.243 ( 1.254 -1.184 1.962) 2.613 17.510 ( -2.890 2.042 -3.327) 4.857 17.725 ( 6.513 0.650 -2.281) 6.931 18.065 ( -6.791 9.850 -9.945) 15.558 18.469 ( -3.640 -0.526 -0.235) 3.685 ======================= Grid point 420 (218/250) ======================= q-point: ( 0.44 0.11 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( -2.461 3.399 -0.710) 4.256 1.636 ( 0.337 6.074 -0.931) 6.154 1.961 ( -3.391 -0.643 -3.301) 4.776 2.027 ( 5.244 -2.696 -0.439) 5.913 2.194 ( 4.850 -1.686 3.015) 5.955 2.355 ( -0.046 -0.702 -1.766) 1.901 2.564 ( -4.571 3.460 -3.430) 6.681 2.895 ( -0.041 1.425 -1.758) 2.263 3.706 ( 1.744 -0.806 2.760) 3.363 4.079 ( -4.196 -3.273 6.259) 8.215 4.769 ( 2.058 -2.694 3.868) 5.143 5.283 ( 12.139 -6.727 5.090) 14.782 5.961 ( -7.611 6.131 -16.234) 18.949 6.334 ( -2.101 2.579 -1.504) 3.651 6.588 ( -1.486 -1.590 -2.303) 3.169 6.682 ( -5.673 -0.928 -0.589) 5.779 7.431 ( -1.250 1.983 1.654) 2.869 7.499 ( 2.785 -3.154 -4.955) 6.500 7.685 ( 3.056 -0.461 3.738) 4.851 7.751 ( -4.453 3.702 -0.553) 5.818 8.369 ( -4.413 0.743 -0.042) 4.475 8.672 ( 0.093 -1.417 2.557) 2.925 9.266 ( 7.526 2.049 -6.871) 10.395 9.740 ( -4.767 -3.411 6.515) 8.763 10.067 ( 4.728 1.006 -2.909) 5.641 10.707 ( 2.180 3.874 -11.529) 12.356 11.492 ( 1.864 -0.842 8.463) 8.707 12.309 ( 4.863 -7.347 7.065) 11.293 16.146 ( 1.411 0.882 0.430) 1.719 16.594 ( 2.337 -5.774 7.539) 9.779 17.131 ( -1.582 -1.781 3.078) 3.893 17.253 ( -2.135 1.213 -0.520) 2.510 17.419 ( -2.363 1.793 -5.451) 6.206 17.744 ( 4.857 3.334 -3.399) 6.802 17.831 ( -2.393 5.766 -4.248) 7.551 18.438 ( -3.751 -0.893 -1.415) 4.107 ======================= Grid point 421 (219/250) ======================= q-point: (-0.44 0.11 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.304 ( -0.077 0.654 2.255) 2.349 1.550 ( 0.137 4.077 4.162) 5.828 1.928 ( -3.644 -1.059 -1.089) 3.948 2.069 ( -2.931 1.017 0.902) 3.231 2.280 ( 9.473 1.094 -5.479) 10.998 2.356 ( 0.378 -1.733 1.909) 2.606 2.486 ( -3.718 -0.047 -0.611) 3.769 2.866 ( -0.364 0.166 -2.555) 2.586 3.763 ( 5.858 -0.133 1.322) 6.007 4.119 ( -2.413 -2.066 4.810) 5.764 4.803 ( -0.421 1.801 3.026) 3.546 5.440 ( -6.068 0.530 -2.062) 6.431 5.794 ( 7.690 -0.978 -7.193) 10.574 6.298 ( -0.887 -0.803 -1.293) 1.762 6.608 ( -0.673 -3.052 -0.735) 3.210 6.660 ( -2.309 -1.050 0.987) 2.722 7.430 ( 0.821 -1.530 1.243) 2.135 7.520 ( -5.380 -1.979 -4.690) 7.406 7.594 ( -2.284 4.623 -1.827) 5.470 7.801 ( 7.495 0.813 7.865) 10.895 8.328 ( -4.618 -1.804 -0.697) 5.007 8.688 ( -1.626 -0.656 -0.191) 1.764 9.282 ( 8.663 2.999 -3.731) 9.897 9.768 ( -4.930 -2.525 3.913) 6.781 10.092 ( 6.050 0.721 -2.639) 6.640 10.601 ( -2.313 3.413 -6.073) 7.340 11.546 ( 2.137 1.280 7.793) 8.181 12.414 ( -1.497 -0.621 -0.849) 1.830 16.155 ( 2.671 0.726 0.776) 2.874 16.683 ( -4.403 -0.572 1.010) 4.553 17.180 ( -1.169 1.254 -1.823) 2.503 17.197 ( 2.036 -3.898 4.993) 6.653 17.380 ( -0.205 0.236 -0.211) 0.377 17.695 ( 2.099 2.585 0.288) 3.343 17.774 ( 2.051 2.209 -2.674) 4.029 18.419 ( -3.436 -2.606 -3.179) 5.358 ======================= Grid point 422 (220/250) ======================= q-point: (-0.33 0.11 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( 2.657 -1.896 5.308) 6.232 1.540 ( -0.134 0.926 9.116) 9.164 1.906 ( -4.592 -0.824 0.049) 4.665 1.992 ( -2.284 2.784 0.690) 3.667 2.245 ( 0.924 3.828 -5.810) 7.019 2.393 ( -0.596 0.980 -3.957) 4.120 2.538 ( 4.229 -5.070 5.728) 8.741 2.867 ( 0.125 -2.172 -4.021) 4.572 3.839 ( 8.984 0.454 -0.211) 8.998 4.135 ( -2.565 -0.480 2.946) 3.936 4.732 ( -3.443 5.326 4.057) 7.529 5.202 ( -9.668 7.524 -12.975) 17.844 6.015 ( 9.612 -8.227 5.945) 13.979 6.323 ( 0.572 -2.558 -1.196) 2.881 6.657 ( -2.921 -3.380 2.921) 5.337 6.698 ( 5.257 -2.072 -0.780) 5.705 7.378 ( -10.479 3.596 1.420) 11.169 7.485 ( -2.146 -3.619 -6.163) 7.462 7.590 ( 9.346 1.091 1.767) 9.574 7.865 ( 1.815 1.121 6.059) 6.423 8.341 ( -2.580 -3.934 0.835) 4.778 8.661 ( -2.993 0.084 -2.760) 4.072 9.307 ( 9.082 3.489 -0.247) 9.732 9.752 ( -5.847 -1.125 -0.880) 6.019 10.151 ( 9.064 0.151 -1.865) 9.255 10.496 ( -6.213 1.823 -0.490) 6.494 11.559 ( 2.409 3.871 7.443) 8.729 12.294 ( -7.396 6.371 -8.208) 12.754 16.183 ( 4.046 0.462 0.981) 4.188 16.559 ( -7.936 3.738 -4.705) 9.955 17.162 ( -0.333 0.100 0.074) 0.355 17.269 ( -0.970 0.351 -0.689) 1.241 17.453 ( 5.664 -2.738 7.060) 9.457 17.719 ( -3.052 -0.852 0.704) 3.246 17.767 ( 7.910 -1.567 3.484) 8.784 18.431 ( -2.916 -4.643 -5.092) 7.482 ======================= Grid point 423 (221/250) ======================= q-point: (-0.22 0.11 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( 1.947 -1.417 7.103) 7.500 1.576 ( -0.454 -0.666 7.577) 7.620 1.838 ( -3.616 2.366 -0.851) 4.404 1.976 ( -1.290 -0.241 0.230) 1.333 2.160 ( 1.395 3.216 -1.422) 3.783 2.346 ( -1.901 0.226 -3.534) 4.019 2.698 ( 4.023 -4.640 5.279) 8.098 2.903 ( 1.138 -3.550 -5.935) 7.009 3.927 ( 10.524 0.779 -1.486) 10.657 4.101 ( -5.181 0.691 0.051) 5.227 4.612 ( -4.148 6.128 7.353) 10.432 4.933 ( -5.579 7.470 -12.388) 15.505 6.246 ( 3.654 -6.485 6.459) 9.855 6.377 ( 1.834 -2.687 -1.178) 3.460 6.706 ( 0.804 -2.254 2.667) 3.583 6.799 ( 3.759 -3.121 -1.074) 5.003 7.241 ( -3.513 3.390 3.640) 6.089 7.465 ( -4.680 -1.801 -5.768) 7.643 7.719 ( 9.390 -2.125 2.545) 9.958 7.868 ( -1.864 0.281 3.103) 3.630 8.405 ( -1.359 -4.069 3.542) 5.563 8.607 ( -3.361 0.323 -3.804) 5.086 9.353 ( 9.850 2.708 2.298) 10.470 9.679 ( -6.839 0.250 -5.489) 8.773 10.257 ( 11.674 -0.792 -1.704) 11.824 10.404 ( -8.250 0.724 2.402) 8.623 11.530 ( 2.462 6.106 7.433) 9.929 12.000 ( -10.142 10.723 -11.874) 18.943 16.228 ( 4.926 0.279 0.858) 5.008 16.404 ( -6.395 2.928 -3.583) 7.893 17.156 ( -0.201 0.688 0.907) 1.156 17.224 ( -2.013 1.382 -1.582) 2.909 17.540 ( 3.411 0.037 2.727) 4.367 17.668 ( -1.994 1.525 -2.942) 3.867 18.017 ( 7.853 -9.394 13.276) 18.060 18.468 ( -2.383 -5.754 -7.210) 9.527 ======================= Grid point 424 (222/250) ======================= q-point: (-0.11 0.11 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( -1.525 -0.338 9.857) 9.980 1.621 ( 1.978 -1.197 2.293) 3.256 1.774 ( -0.563 1.955 -0.446) 2.083 1.900 ( -1.440 3.731 -7.897) 8.851 2.204 ( 2.940 -2.265 6.468) 7.457 2.319 ( -0.981 -0.605 -3.395) 3.585 2.815 ( 0.670 -3.341 5.119) 6.149 2.953 ( 1.941 -3.535 -7.154) 8.212 3.979 ( -3.570 1.334 1.087) 3.963 4.036 ( 3.873 0.857 -4.126) 5.724 4.522 ( -1.987 4.470 9.297) 10.506 4.725 ( -1.467 6.457 -9.924) 11.930 6.360 ( -2.672 -3.324 5.383) 6.868 6.442 ( 4.124 -2.043 -2.185) 5.095 6.758 ( -0.909 -0.584 2.754) 2.958 6.826 ( 1.693 0.159 -3.526) 3.915 7.278 ( 7.165 -2.131 6.850) 10.139 7.408 ( -7.012 -1.600 -5.620) 9.128 7.846 ( 6.552 -1.415 1.432) 6.855 7.860 ( -2.152 -1.046 0.599) 2.467 8.472 ( -1.560 -3.036 4.965) 6.025 8.560 ( -2.632 -0.237 -2.271) 3.484 9.439 ( 10.003 0.855 2.998) 10.478 9.561 ( -6.785 1.237 -8.371) 10.847 10.290 ( -12.314 -0.157 6.087) 13.737 10.424 ( 16.788 -0.842 -6.863) 18.156 11.470 ( 1.002 6.796 7.766) 10.368 11.657 ( -7.607 10.901 -10.165) 16.734 16.270 ( 0.713 0.413 0.909) 1.227 16.304 ( -0.862 1.367 -2.334) 2.839 17.144 ( -0.282 0.945 1.866) 2.111 17.179 ( -1.249 1.088 -1.307) 2.110 17.573 ( 1.505 -0.083 1.432) 2.079 17.616 ( -0.823 0.980 -2.734) 3.019 18.290 ( 3.937 -7.066 12.442) 14.840 18.514 ( -1.063 -5.868 -9.249) 11.005 ======================= Grid point 427 (223/250) ======================= q-point: ( 0.22 0.22 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.547 ( -2.591 0.000 2.684) 3.731 1.732 ( 5.606 -0.000 -9.722) 11.222 1.898 ( 5.115 -0.000 0.703) 5.163 1.939 ( 6.429 -0.000 6.519) 9.156 2.235 ( -2.983 0.000 -4.929) 5.762 2.240 ( -1.065 0.000 -8.747) 8.812 2.869 ( -3.124 0.000 -6.939) 7.610 2.897 ( -1.708 0.000 2.793) 3.274 3.659 ( -3.227 0.000 6.812) 7.538 3.971 ( -9.962 0.000 13.873) 17.079 4.555 ( 4.834 -0.000 0.196) 4.838 4.948 ( 18.029 -0.000 -3.873) 18.440 6.197 ( -8.423 0.000 -6.384) 10.569 6.525 ( -5.442 0.000 7.066) 8.919 6.554 ( 3.618 -0.000 -9.351) 10.027 6.791 ( -14.602 0.000 -9.334) 17.331 7.298 ( 14.067 -0.000 -0.854) 14.092 7.660 ( -0.053 0.000 -3.492) 3.493 7.696 ( -8.543 0.000 -6.980) 11.032 7.844 ( -4.814 0.000 5.445) 7.268 8.502 ( -4.773 0.000 2.375) 5.331 8.558 ( 1.297 -0.000 1.845) 2.255 9.285 ( 8.306 -0.000 -8.722) 12.044 9.650 ( -6.313 0.000 6.743) 9.237 10.072 ( 4.692 -0.000 -1.436) 4.906 10.819 ( 7.081 -0.000 -17.138) 18.543 11.399 ( 5.914 -0.000 13.080) 14.355 11.795 ( 9.278 -0.000 12.498) 15.565 16.168 ( 1.490 -0.000 1.371) 2.025 16.373 ( -0.322 0.000 2.917) 2.935 17.099 ( -1.699 0.000 2.118) 2.715 17.216 ( 1.526 -0.000 2.557) 2.978 17.548 ( -3.764 0.000 -0.920) 3.875 17.740 ( 9.546 -0.000 -3.684) 10.232 18.328 ( -6.191 0.000 -15.813) 16.981 18.385 ( -7.571 0.000 4.073) 8.597 ======================= Grid point 428 (224/250) ======================= q-point: ( 0.33 0.22 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.494 ( -2.348 3.699 0.931) 4.479 1.761 ( 4.155 -0.979 -7.901) 8.980 1.912 ( 1.516 1.386 0.418) 2.096 2.075 ( 5.456 -3.685 5.921) 8.855 2.093 ( -1.723 4.789 -7.479) 9.047 2.270 ( -0.686 -4.244 -6.430) 7.734 2.746 ( -3.577 5.591 -3.978) 7.738 2.913 ( -1.160 -1.164 -0.015) 1.643 3.687 ( 1.848 -0.237 7.389) 7.620 3.960 ( -8.622 -2.610 14.071) 16.708 4.647 ( 6.536 -2.768 2.352) 7.478 5.130 ( 16.614 -2.121 -3.533) 17.118 6.062 ( -9.410 0.621 -10.240) 13.921 6.459 ( -5.185 3.630 -4.435) 7.729 6.544 ( -1.930 -1.171 -4.002) 4.595 6.632 ( -9.623 -1.592 -3.633) 10.409 7.428 ( 9.482 -0.619 -4.384) 10.465 7.539 ( -6.408 3.596 -1.385) 7.478 7.641 ( -4.553 -2.056 -1.463) 5.205 7.840 ( 0.166 1.049 4.708) 4.827 8.429 ( -6.069 2.234 0.678) 6.503 8.593 ( -0.615 -2.553 0.094) 2.627 9.340 ( 11.577 1.631 -7.472) 13.875 9.641 ( -4.663 -1.766 8.153) 9.556 10.107 ( 4.796 0.969 -1.812) 5.217 10.791 ( 3.474 0.850 -16.335) 16.722 11.509 ( 6.954 1.714 12.718) 14.596 12.012 ( 8.024 -7.282 11.439) 15.757 16.191 ( 3.244 1.378 1.942) 4.024 16.419 ( 0.553 -3.460 5.668) 6.664 17.096 ( -1.390 -0.309 2.453) 2.836 17.247 ( 1.006 -0.665 1.996) 2.332 17.485 ( -4.952 1.238 -2.653) 5.753 17.816 ( 10.112 1.170 -4.281) 11.043 18.100 ( -7.515 7.380 -11.704) 15.746 18.364 ( -7.866 -3.438 -0.850) 8.627 ======================= Grid point 429 (225/250) ======================= q-point: ( 0.44 0.22 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( -1.809 4.310 0.862) 4.753 1.736 ( 2.573 4.503 -5.913) 7.865 1.880 ( -5.608 -1.051 -1.425) 5.881 2.032 ( 1.196 -0.287 -2.448) 2.739 2.218 ( 4.036 -4.030 5.900) 8.207 2.311 ( 1.607 -3.282 -6.642) 7.581 2.590 ( -2.296 6.483 -2.994) 7.501 2.902 ( -1.442 0.768 -0.928) 1.879 3.762 ( 6.235 0.121 6.293) 8.859 4.005 ( -5.667 -4.013 11.538) 13.466 4.780 ( 6.200 -2.546 3.397) 7.514 5.316 ( 9.941 -3.714 -0.906) 10.651 5.891 ( -6.725 2.602 -14.101) 15.838 6.301 ( -7.615 1.124 -8.770) 11.670 6.521 ( -4.586 -1.488 -0.092) 4.822 6.604 ( -2.700 -2.160 -0.506) 3.494 7.401 ( -3.810 -0.058 -4.770) 6.105 7.486 ( -3.875 0.129 -0.853) 3.970 7.661 ( 3.228 -0.095 1.464) 3.546 7.867 ( 6.551 1.830 5.760) 8.913 8.321 ( -7.844 1.553 -0.461) 8.009 8.622 ( -2.687 -2.929 -1.807) 4.366 9.393 ( 12.437 3.132 -5.582) 13.987 9.678 ( -3.379 -2.387 8.332) 9.303 10.124 ( 4.413 1.221 -2.004) 4.999 10.711 ( -0.304 2.229 -14.295) 14.471 11.601 ( 6.764 2.255 12.525) 14.413 12.254 ( 3.934 -7.386 6.261) 10.451 16.204 ( 3.790 2.112 2.234) 4.880 16.547 ( 1.528 -5.547 7.299) 9.294 17.106 ( -1.010 -1.102 3.282) 3.606 17.252 ( -1.869 1.266 0.043) 2.258 17.396 ( -2.705 1.067 -4.601) 5.443 17.856 ( 5.390 4.149 -3.833) 7.807 17.876 ( -1.474 4.536 -6.807) 8.312 18.325 ( -8.352 -2.915 -3.229) 9.417 ======================= Grid point 430 (226/250) ======================= q-point: ( 0.56 0.22 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( 0.848 1.959 3.879) 4.427 1.650 ( 1.944 4.914 -1.520) 5.499 1.845 ( -5.873 -2.047 0.155) 6.221 2.034 ( -3.666 -1.120 -0.446) 3.859 2.318 ( -1.351 -1.929 0.157) 2.360 2.381 ( 5.663 -3.911 -1.790) 7.111 2.467 ( 3.013 5.557 -2.589) 6.831 2.853 ( -2.535 1.223 -2.312) 3.642 3.860 ( 8.922 0.610 4.535) 10.027 4.071 ( -3.311 -3.322 8.021) 9.291 4.860 ( 3.803 1.401 2.417) 4.719 5.360 ( -8.418 1.018 -4.402) 9.554 5.809 ( 7.195 -2.205 -7.904) 10.913 6.219 ( -5.170 -3.099 -6.400) 8.791 6.522 ( -4.052 -3.358 2.972) 6.043 6.629 ( 0.801 -2.425 -1.545) 2.985 7.376 ( -0.847 -2.003 -5.299) 5.727 7.415 ( -9.478 -0.304 1.541) 9.607 7.689 ( 7.309 3.068 0.219) 7.930 7.944 ( 6.811 2.513 6.626) 9.829 8.235 ( -6.803 -1.596 0.375) 6.998 8.620 ( -4.371 -2.425 -3.884) 6.330 9.437 ( 11.967 3.855 -3.167) 12.965 9.706 ( -4.474 -1.423 5.596) 7.305 10.151 ( 5.446 0.301 -1.006) 5.546 10.588 ( -3.683 2.827 -10.420) 11.407 11.681 ( 6.655 3.172 12.756) 14.733 12.363 ( -2.269 -2.283 -1.571) 3.582 16.222 ( 4.644 1.884 2.475) 5.589 16.626 ( -4.661 -0.853 0.922) 4.828 17.168 ( 0.970 -3.197 4.719) 5.781 17.194 ( 0.470 0.778 0.059) 0.911 17.376 ( 0.534 -0.771 -0.130) 0.946 17.743 ( -2.828 2.807 -0.369) 4.002 17.868 ( 7.761 3.993 -4.444) 9.794 18.275 ( -8.481 -3.914 -5.888) 11.041 ======================= Grid point 431 (227/250) ======================= q-point: (-0.33 0.22 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.389 ( 4.064 -0.838 6.526) 7.733 1.601 ( 0.290 2.438 1.214) 2.739 1.835 ( -4.773 -2.087 4.262) 6.731 1.994 ( -4.392 0.353 0.896) 4.496 2.294 ( 0.066 2.429 -2.468) 3.463 2.367 ( -3.592 1.066 -4.889) 6.160 2.557 ( 10.463 -2.372 2.129) 10.938 2.806 ( -2.591 -1.205 -4.637) 5.447 3.961 ( 10.293 0.923 2.256) 10.577 4.104 ( -3.646 -0.964 3.873) 5.406 4.830 ( 0.423 5.656 3.837) 6.847 5.150 ( -10.883 4.774 -9.646) 15.306 5.984 ( 7.586 -7.396 2.371) 10.857 6.233 ( -2.178 -5.508 -5.453) 8.051 6.579 ( -2.193 -4.468 5.402) 7.346 6.691 ( 3.674 -3.153 -3.406) 5.920 7.324 ( -7.767 0.883 2.352) 8.163 7.389 ( -0.608 -2.272 -5.505) 5.986 7.729 ( 9.314 2.405 1.631) 9.757 7.929 ( -1.802 3.266 1.337) 3.962 8.269 ( 0.131 -3.631 5.692) 6.752 8.583 ( -5.476 -1.766 -5.538) 7.986 9.477 ( 10.809 4.036 -0.433) 11.546 9.678 ( -6.174 -0.194 0.359) 6.188 10.221 ( 6.792 -0.948 0.790) 6.903 10.458 ( -5.347 2.165 -6.331) 8.565 11.736 ( 6.509 5.185 13.382) 15.759 12.269 ( -7.620 4.100 -8.581) 12.186 16.257 ( 5.478 1.484 2.602) 6.243 16.513 ( -7.955 3.036 -4.382) 9.576 17.172 ( 0.924 0.491 0.788) 1.310 17.255 ( -1.016 -0.434 -0.798) 1.363 17.486 ( 6.379 -4.927 9.131) 12.180 17.688 ( -3.388 0.756 1.850) 3.934 17.870 ( 8.421 2.307 -0.969) 8.785 18.244 ( -8.093 -6.295 -8.486) 13.309 ======================= Grid point 432 (228/250) ======================= q-point: (-0.22 0.22 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.481 ( 3.642 -0.755 6.296) 7.313 1.571 ( -2.440 -0.349 -0.681) 2.557 1.847 ( -2.622 0.442 8.930) 9.317 1.968 ( -1.149 -0.189 0.603) 1.311 2.233 ( 1.657 3.846 -1.108) 4.332 2.293 ( -3.289 -0.012 -5.564) 6.463 2.697 ( 4.914 -2.747 2.884) 6.326 2.812 ( -0.074 -4.100 -7.147) 8.240 4.050 ( -2.820 0.014 0.420) 2.851 4.058 ( 6.309 2.611 -1.044) 6.907 4.738 ( -1.093 7.063 9.161) 11.619 4.934 ( -5.542 5.123 -9.312) 11.986 6.179 ( 1.373 -6.771 5.583) 8.883 6.305 ( 1.210 -6.113 -5.741) 8.473 6.668 ( -0.340 -4.446 4.640) 6.435 6.767 ( 2.619 -3.040 -4.324) 5.899 7.266 ( -2.733 0.627 5.357) 6.046 7.382 ( -0.263 -0.122 -5.984) 5.991 7.796 ( 2.304 -0.319 2.899) 3.717 7.865 ( 1.851 1.416 -3.188) 3.949 8.369 ( 1.284 -2.653 8.739) 9.222 8.528 ( -5.493 -1.638 -5.720) 8.098 9.520 ( 9.403 3.450 2.008) 10.215 9.596 ( -6.304 0.699 -4.941) 8.040 10.283 ( -5.295 -0.223 4.060) 6.676 10.393 ( 7.329 -0.581 -6.771) 9.995 11.747 ( 4.814 7.848 14.283) 16.993 12.019 ( -8.233 8.641 -11.856) 16.823 16.299 ( 3.719 1.341 2.799) 4.844 16.372 ( -4.556 2.496 -4.188) 6.673 17.179 ( 1.011 0.857 1.603) 2.080 17.219 ( -1.669 1.017 -1.796) 2.655 17.599 ( 1.977 1.281 3.489) 4.211 17.653 ( -1.484 0.414 -1.240) 1.977 18.022 ( 9.069 -6.231 10.401) 15.141 18.252 ( -7.018 -8.480 -10.812) 15.430 ======================= Grid point 433 (229/250) ======================= q-point: (-0.11 0.22 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.513 ( -2.498 0.156 4.852) 5.460 1.588 ( 1.016 -2.992 -1.493) 3.495 1.848 ( 1.304 2.681 8.215) 8.740 1.932 ( 0.745 3.433 -4.666) 5.841 2.234 ( 2.042 -0.365 4.470) 4.928 2.254 ( -1.677 -1.716 -5.922) 6.390 2.775 ( -1.054 -3.363 1.364) 3.779 2.872 ( 2.665 -4.114 -6.428) 8.084 3.928 ( -9.276 2.310 -1.274) 9.644 4.117 ( 6.458 1.586 -1.721) 6.869 4.660 ( -0.452 6.610 12.787) 14.402 4.781 ( 1.136 5.265 -7.986) 9.632 6.285 ( -3.186 -4.223 4.464) 6.922 6.404 ( 2.724 -5.066 -5.181) 7.742 6.738 ( -2.336 -0.900 1.167) 2.762 6.808 ( 1.884 -3.584 -3.176) 5.146 7.301 ( -1.443 -1.261 0.841) 2.093 7.352 ( 4.107 0.549 1.437) 4.386 7.782 ( -5.697 -2.601 -2.891) 6.898 7.912 ( 7.081 0.393 -1.761) 7.307 8.457 ( 0.517 -1.689 9.450) 9.613 8.490 ( -3.953 -2.152 -3.275) 5.566 9.469 ( -6.359 1.718 -7.577) 10.039 9.589 ( 9.096 1.833 2.166) 9.528 10.194 ( -10.793 0.663 3.294) 11.304 10.520 ( 14.085 -2.704 -7.587) 16.225 11.634 ( -8.006 9.761 3.931) 13.222 11.795 ( 6.074 10.186 1.252) 11.925 16.249 ( -5.288 1.268 -0.801) 5.497 16.357 ( 5.213 1.530 0.521) 5.458 17.165 ( -1.150 1.245 1.092) 2.017 17.194 ( 1.148 1.170 0.240) 1.657 17.575 ( -2.492 0.341 -0.275) 2.530 17.639 ( 2.620 1.623 -0.626) 3.145 18.239 ( -2.784 -7.422 2.188) 8.223 18.324 ( 2.203 -8.757 -3.417) 9.654 ======================= Grid point 437 (230/250) ======================= q-point: ( 0.33 0.33 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( -1.905 0.000 1.571) 2.469 1.730 ( -0.425 0.000 -5.892) 5.907 1.935 ( 0.668 -0.000 -4.841) 4.887 2.096 ( -4.706 0.000 -6.542) 8.059 2.113 ( 1.768 -0.000 8.644) 8.823 2.181 ( 4.512 -0.000 -9.691) 10.690 2.771 ( 0.221 -0.000 -4.725) 4.730 2.880 ( -2.044 0.000 2.241) 3.033 3.768 ( 7.119 -0.000 7.727) 10.506 3.914 ( -9.295 0.000 17.528) 19.840 4.717 ( 9.302 -0.000 2.348) 9.594 5.252 ( 14.253 -0.000 -5.715) 15.356 5.925 ( -8.878 0.000 -9.930) 13.320 6.338 ( -12.927 0.000 -16.872) 21.254 6.496 ( -6.260 0.000 9.330) 11.235 6.555 ( -0.313 0.000 -7.733) 7.739 7.411 ( -3.225 0.000 -7.869) 8.504 7.497 ( -10.639 0.000 0.779) 10.667 7.649 ( 11.176 -0.000 2.995) 11.570 7.892 ( 3.053 -0.000 5.232) 6.058 8.387 ( -7.587 0.000 0.492) 7.603 8.536 ( -3.350 0.000 -3.389) 4.765 9.458 ( 13.667 -0.000 -6.293) 15.046 9.631 ( -2.275 0.000 9.530) 9.798 10.154 ( 3.900 -0.000 -1.419) 4.150 10.745 ( 0.503 -0.000 -16.109) 16.117 11.673 ( 8.691 -0.000 12.823) 15.491 12.067 ( 6.332 -0.000 9.789) 11.659 16.272 ( 6.147 -0.000 3.724) 7.187 16.412 ( 0.344 -0.000 6.491) 6.500 17.095 ( -0.555 0.000 2.075) 2.148 17.259 ( 0.562 -0.000 1.920) 2.000 17.427 ( -5.758 0.000 -3.114) 6.546 17.917 ( 11.139 -0.000 -5.410) 12.384 18.015 ( -9.341 0.000 -17.410) 19.757 18.245 ( -9.097 0.000 4.050) 9.957 ======================= Grid point 438 (231/250) ======================= q-point: ( 0.44 0.33 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.465 ( -1.213 3.938 1.826) 4.507 1.713 ( -4.191 -2.845 -4.133) 6.538 1.872 ( -0.357 4.278 -3.893) 5.796 2.008 ( -3.673 0.368 -4.276) 5.649 2.186 ( -1.720 -3.687 6.794) 7.920 2.236 ( 4.925 -3.888 -8.988) 10.962 2.709 ( 3.678 6.268 -1.743) 7.474 2.883 ( -2.152 -0.569 0.363) 2.256 3.880 ( 6.756 0.650 8.764) 11.085 3.939 ( -3.902 -3.254 13.476) 14.402 4.842 ( 9.231 -1.254 3.061) 9.806 5.346 ( 5.958 -0.559 -6.243) 8.648 5.803 ( -4.489 0.300 -9.505) 10.516 6.142 ( -11.454 -1.070 -13.664) 17.861 6.460 ( -7.210 -0.260 5.939) 9.344 6.541 ( 0.377 -2.109 -6.514) 6.857 7.350 ( -1.446 0.134 -5.234) 5.431 7.403 ( -9.119 -0.254 1.658) 9.272 7.772 ( 11.053 1.639 2.342) 11.416 7.966 ( 5.960 -0.955 6.395) 8.794 8.270 ( -9.003 2.921 -0.853) 9.504 8.507 ( -5.524 -3.466 -4.452) 7.896 9.553 ( 13.400 2.188 -5.161) 14.525 9.663 ( -2.264 -0.821 9.375) 9.679 10.178 ( 3.724 0.834 -0.705) 3.880 10.656 ( -2.667 0.938 -15.000) 15.264 11.790 ( 8.619 2.874 12.684) 15.602 12.203 ( 2.683 -4.878 5.047) 7.514 16.317 ( 5.873 3.431 4.390) 8.095 16.506 ( 1.965 -4.626 6.612) 8.305 17.102 ( -0.195 -0.278 2.504) 2.527 17.257 ( -1.986 1.118 0.550) 2.344 17.358 ( -2.496 -0.141 -3.546) 4.339 17.825 ( -8.470 1.374 -13.041) 15.611 17.986 ( 10.374 2.130 -5.638) 11.998 18.182 ( -9.673 -1.357 1.939) 9.958 ======================= Grid point 439 (232/250) ======================= q-point: (-0.44 -0.67 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( 1.186 2.480 5.107) 5.800 1.680 ( -4.427 -0.543 -5.680) 7.222 1.799 ( -0.405 2.178 2.501) 3.341 1.959 ( -5.253 -1.226 -1.989) 5.749 2.250 ( -4.089 -4.030 4.280) 7.161 2.315 ( 3.588 -3.641 -7.348) 8.951 2.651 ( 8.185 6.209 0.429) 10.283 2.836 ( -3.744 1.873 -2.204) 4.731 3.959 ( -1.655 -1.765 12.856) 13.082 4.046 ( 7.639 -1.277 1.992) 7.997 4.949 ( 7.174 0.862 2.772) 7.739 5.278 ( -9.009 3.049 -6.967) 11.790 5.796 ( 5.908 -3.350 -5.824) 8.947 6.039 ( -8.440 -4.651 -8.952) 13.153 6.444 ( -5.714 -2.803 6.801) 9.315 6.574 ( 2.791 -3.316 -6.778) 8.045 7.330 ( -6.541 -0.033 1.308) 6.671 7.336 ( 0.986 -0.636 -3.655) 3.839 7.836 ( 8.715 3.351 2.486) 9.662 8.067 ( 1.833 3.543 2.081) 4.499 8.151 ( -3.096 -2.580 3.821) 5.553 8.486 ( -6.834 -3.727 -5.342) 9.441 9.614 ( 12.123 3.486 -3.794) 13.173 9.673 ( -5.094 -0.119 6.306) 8.107 10.210 ( 5.041 0.367 1.184) 5.191 10.529 ( -5.287 1.637 -12.342) 13.527 11.880 ( 8.398 3.343 13.330) 16.106 12.282 ( -2.913 -2.657 -2.312) 4.570 16.338 ( 6.069 3.262 4.507) 8.233 16.576 ( -3.272 -0.237 0.031) 3.280 17.148 ( 1.315 -2.893 4.808) 5.763 17.213 ( 0.004 0.786 -0.378) 0.872 17.366 ( 1.599 -1.671 0.909) 2.485 17.704 ( -6.077 -1.095 -7.222) 9.502 18.004 ( 8.007 3.943 -4.288) 9.902 18.104 ( -9.483 -1.246 -2.009) 9.773 ======================= Grid point 440 (233/250) ======================= q-point: (-0.33 -0.67 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.455 ( 3.615 -0.076 7.736) 8.539 1.599 ( -4.870 0.902 -5.715) 7.563 1.814 ( 0.428 -0.640 8.207) 8.243 1.924 ( -5.161 -1.984 -0.941) 5.609 2.274 ( -4.714 -2.028 2.657) 5.779 2.346 ( 1.792 0.390 -4.355) 4.726 2.679 ( 9.433 1.641 0.086) 9.575 2.740 ( -4.185 1.664 -5.393) 7.026 4.014 ( -4.741 -2.158 8.522) 9.988 4.133 ( 9.718 1.313 -3.283) 10.341 4.970 ( 4.446 5.550 4.432) 8.379 5.072 ( -10.546 3.337 -5.746) 12.465 5.944 ( 6.328 -6.052 0.850) 8.797 6.042 ( -5.274 -8.061 -7.633) 12.291 6.496 ( -4.400 -5.017 7.275) 9.872 6.649 ( 5.688 -3.563 -7.113) 9.780 7.275 ( -5.652 0.068 3.444) 6.619 7.363 ( 5.060 -0.831 -5.026) 7.180 7.853 ( -0.931 3.222 4.838) 5.887 7.956 ( 1.362 3.446 -4.980) 6.207 8.281 ( 5.293 -2.713 9.445) 11.162 8.445 ( -7.554 -3.167 -6.143) 10.238 9.617 ( -7.582 0.742 1.334) 7.734 9.652 ( 10.370 3.784 -2.093) 11.235 10.274 ( 3.633 -0.159 3.433) 5.001 10.400 ( -3.878 0.852 -9.325) 10.135 11.961 ( 7.430 4.336 14.447) 16.815 12.206 ( -7.086 2.073 -8.853) 11.527 16.369 ( 5.303 2.783 4.751) 7.645 16.473 ( -5.432 3.161 -5.010) 8.037 17.195 ( 0.887 -0.166 1.738) 1.959 17.232 ( -0.365 -0.552 -1.122) 1.303 17.500 ( 6.754 -5.787 9.364) 12.914 17.655 ( -4.458 -1.520 -3.634) 5.948 17.987 ( -0.575 0.750 -1.137) 1.479 18.030 ( -2.038 -0.346 -6.381) 6.707 ======================= Grid point 441 (234/250) ======================= q-point: (-0.22 -0.67 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( -5.449 -0.191 -3.664) 6.569 1.528 ( 1.325 -0.465 5.310) 5.492 1.883 ( 1.047 -0.885 9.713) 9.809 1.929 ( -0.891 -2.533 0.689) 2.772 2.247 ( -3.650 0.655 -0.440) 3.734 2.313 ( 1.653 3.344 -0.078) 3.731 2.671 ( -4.203 -2.538 -7.111) 8.642 2.763 ( 7.599 -0.685 -1.200) 7.724 3.986 ( -7.574 0.442 0.131) 7.588 4.178 ( 7.488 1.840 -3.356) 8.409 4.879 ( -4.999 4.715 3.792) 7.848 4.961 ( 3.571 5.823 2.764) 7.369 6.083 ( -2.321 -7.543 -1.143) 7.975 6.152 ( 2.241 -8.116 -3.220) 9.014 6.582 ( -2.749 -5.817 4.900) 8.087 6.728 ( 4.397 -2.349 -6.355) 8.077 7.255 ( -2.285 -0.746 4.983) 5.532 7.413 ( 7.455 0.677 -3.801) 8.395 7.742 ( -10.478 1.183 0.423) 10.553 7.963 ( 8.611 2.527 -2.956) 9.449 8.393 ( -5.543 -2.594 -2.648) 6.668 8.413 ( 2.736 -1.867 7.891) 8.558 9.515 ( -7.988 0.967 -3.532) 8.787 9.683 ( 8.942 3.278 -0.228) 9.526 10.230 ( -8.074 1.373 -0.013) 8.190 10.427 ( 8.317 -2.372 -3.423) 9.301 11.936 ( -7.827 6.950 1.889) 10.636 12.078 ( 6.048 5.369 2.086) 8.352 16.313 ( -6.179 2.534 -1.939) 6.955 16.432 ( 7.000 2.718 2.220) 7.831 17.207 ( -1.381 0.755 -1.840) 2.422 17.216 ( 1.549 0.224 1.969) 2.515 17.610 ( -4.364 0.435 -1.433) 4.614 17.672 ( 4.625 -1.418 3.885) 6.205 17.956 ( -10.432 -7.248 -8.671) 15.380 18.087 ( 9.256 -2.602 4.996) 10.836 ======================= Grid point 442 (235/250) ======================= q-point: (-0.11 0.33 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( -4.840 -1.708 -3.822) 6.399 1.569 ( -1.153 -1.624 5.187) 5.557 1.942 ( 2.854 0.609 6.417) 7.050 1.958 ( 1.431 0.503 -1.687) 2.268 2.192 ( -2.234 0.754 -2.680) 3.570 2.296 ( 2.649 1.665 3.660) 4.815 2.669 ( -3.467 -4.554 -5.726) 8.096 2.838 ( 4.176 -1.815 -2.141) 5.032 3.869 ( -7.965 2.222 -2.768) 8.720 4.184 ( 1.802 1.913 -1.936) 3.264 4.784 ( -2.436 3.905 3.456) 5.756 4.931 ( 8.616 7.460 7.516) 13.652 6.172 ( -3.243 -7.138 -4.064) 8.830 6.283 ( 0.324 -6.517 -1.754) 6.757 6.670 ( -2.792 -4.591 1.869) 5.689 6.754 ( 1.609 -1.024 -5.567) 5.885 7.305 ( 2.306 -1.445 6.089) 6.670 7.439 ( 6.075 3.035 -0.084) 6.791 7.647 ( -7.993 -2.365 -3.512) 9.045 7.973 ( 3.116 1.619 -4.800) 5.948 8.380 ( -3.214 -3.305 -2.055) 5.047 8.510 ( 2.771 -0.639 10.658) 11.031 9.395 ( -6.349 1.229 -7.532) 9.928 9.721 ( 7.131 2.375 1.781) 7.724 10.124 ( -7.874 1.203 0.422) 7.976 10.555 ( 9.605 -3.690 -5.659) 11.743 11.687 ( -9.784 7.921 -3.620) 13.099 12.083 ( 9.492 8.335 10.555) 16.462 16.214 ( -4.638 1.318 -1.774) 5.137 16.464 ( 5.983 3.204 3.703) 7.732 17.175 ( -0.838 0.982 -0.404) 1.353 17.234 ( 1.565 0.679 1.981) 2.614 17.547 ( -3.659 0.605 -1.878) 4.157 17.697 ( 2.081 1.905 0.346) 2.842 17.962 ( -8.811 -9.988 -11.856) 17.831 18.290 ( 6.844 -5.592 8.064) 11.964 ======================= Grid point 447 (236/250) ======================= q-point: (-0.56 -0.56 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.511 ( 0.097 -0.000 2.072) 2.074 1.602 ( -7.283 0.000 -0.952) 7.345 1.904 ( 1.149 -0.000 -5.032) 5.162 1.937 ( -5.305 0.000 -3.586) 6.403 2.141 ( -5.557 0.000 7.233) 9.121 2.225 ( 6.824 -0.000 -8.517) 10.914 2.818 ( 6.508 -0.000 -3.115) 7.215 2.849 ( -3.489 0.000 2.475) 4.278 3.897 ( -8.412 0.000 19.017) 20.795 4.032 ( 12.827 -0.000 0.609) 12.842 4.946 ( 9.513 -0.000 3.994) 10.318 5.342 ( -0.669 0.000 -10.093) 10.115 5.735 ( -1.975 0.000 -4.285) 4.718 5.958 ( -9.019 0.000 -12.703) 15.579 6.399 ( -10.655 0.000 8.920) 13.896 6.504 ( 4.854 -0.000 -10.562) 11.624 7.329 ( -6.619 0.000 2.482) 7.069 7.332 ( 1.868 -0.000 -4.284) 4.673 7.928 ( 12.005 -0.000 2.709) 12.307 8.029 ( 3.763 -0.000 7.749) 8.615 8.211 ( -8.478 0.000 -1.271) 8.573 8.378 ( -7.013 0.000 -6.144) 9.324 9.670 ( -3.918 0.000 8.684) 9.527 9.682 ( 12.219 -0.000 -5.074) 13.231 10.224 ( 3.951 -0.000 1.307) 4.162 10.559 ( -4.953 0.000 -14.275) 15.110 11.958 ( 8.036 -0.000 10.707) 13.387 12.195 ( 0.395 -0.000 2.435) 2.467 16.460 ( 7.380 -0.000 4.533) 8.661 16.498 ( 1.860 -0.000 6.067) 6.346 17.111 ( 0.466 -0.000 1.920) 1.975 17.233 ( -4.470 0.000 -1.730) 4.793 17.331 ( 0.589 -0.000 -0.262) 0.645 17.663 ( -9.542 0.000 -15.191) 17.939 18.085 ( 10.266 -0.000 -6.399) 12.097 18.097 ( -9.525 0.000 5.743) 11.123 ======================= Grid point 448 (237/250) ======================= q-point: (-0.44 -0.56 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( -0.161 1.979 5.496) 5.844 1.573 ( -4.885 -2.273 -1.342) 5.553 1.857 ( -0.211 2.168 -0.343) 2.205 1.887 ( -3.734 0.245 -1.327) 3.970 2.146 ( -5.972 -3.810 5.225) 8.803 2.281 ( 5.907 -2.358 -6.989) 9.450 2.787 ( -2.962 3.083 2.213) 4.814 2.848 ( 4.403 2.442 -3.645) 6.215 3.920 ( -7.194 -2.332 16.145) 17.829 4.150 ( 11.729 -0.007 -5.297) 12.870 5.057 ( 7.927 0.462 5.409) 9.607 5.213 ( -8.501 3.379 -9.885) 13.469 5.763 ( 3.009 -4.001 -0.944) 5.094 5.852 ( -6.141 -2.147 -8.716) 10.876 6.355 ( -8.632 -2.500 8.792) 12.573 6.545 ( 8.200 -1.883 -9.471) 12.668 7.283 ( -4.497 0.262 2.484) 5.145 7.349 ( 4.973 0.009 -3.985) 6.373 7.987 ( 0.968 4.185 5.347) 6.859 8.072 ( -2.533 1.992 -2.649) 4.171 8.176 ( 7.284 -2.407 6.813) 10.261 8.316 ( -7.584 -3.746 -6.157) 10.462 9.643 ( -7.411 0.533 5.907) 9.492 9.758 ( 10.304 1.838 -5.076) 11.633 10.278 ( 4.779 0.250 3.894) 6.170 10.432 ( -6.592 0.697 -11.898) 13.619 12.061 ( 7.063 1.653 9.816) 12.206 12.200 ( -3.693 -1.355 -3.108) 5.013 16.486 ( 5.176 3.584 4.833) 7.937 16.555 ( -0.551 0.595 -1.182) 1.433 17.142 ( 1.628 -1.581 3.578) 4.237 17.197 ( -1.767 -1.394 -1.802) 2.883 17.370 ( 3.295 -1.648 3.787) 5.284 17.536 ( -7.805 -2.729 -11.565) 14.216 18.013 ( -9.743 1.304 5.545) 11.286 18.136 ( 9.224 2.411 -6.357) 11.459 ======================= Grid point 449 (238/250) ======================= q-point: (-0.33 -0.56 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( -3.147 -0.960 2.821) 4.334 1.537 ( -1.559 1.339 2.366) 3.134 1.839 ( -2.700 -0.915 0.899) 2.989 1.867 ( 1.602 -0.048 4.738) 5.002 2.183 ( -4.834 -4.128 3.940) 7.478 2.350 ( 4.426 -1.951 -3.845) 6.179 2.674 ( -7.364 3.426 -2.136) 8.398 2.839 ( 6.974 3.415 -2.397) 8.127 3.950 ( -6.754 -2.137 8.547) 11.101 4.220 ( 8.305 0.347 -8.728) 12.053 5.001 ( -10.426 3.190 -3.809) 11.549 5.149 ( 8.806 3.629 6.216) 11.374 5.808 ( -7.389 -6.134 -6.147) 11.403 5.918 ( 6.656 -5.624 1.659) 8.870 6.390 ( -4.382 -4.728 7.592) 9.960 6.636 ( 8.652 -2.575 -8.124) 12.144 7.251 ( -2.721 0.408 3.126) 4.164 7.401 ( 7.832 -0.526 -4.113) 8.861 7.846 ( -11.434 3.944 1.885) 12.242 8.070 ( 7.744 3.420 -0.894) 8.512 8.275 ( -6.806 -3.967 -5.509) 9.613 8.340 ( 6.175 -2.707 8.389) 10.762 9.553 ( -9.812 1.290 2.062) 10.108 9.791 ( 8.400 2.550 -4.817) 10.013 10.281 ( -6.708 1.491 -4.328) 8.121 10.370 ( 4.587 -0.934 1.386) 4.882 12.098 ( -6.382 2.486 -3.445) 7.667 12.164 ( 5.028 0.290 4.909) 7.033 16.429 ( -5.768 4.001 -3.097) 7.672 16.535 ( 7.100 2.886 2.257) 7.990 17.193 ( 0.242 -0.942 1.954) 2.183 17.215 ( 0.120 -1.432 -1.989) 2.454 17.485 ( -6.095 -5.354 -8.777) 11.952 17.519 ( 6.825 -5.038 8.533) 12.032 17.903 ( -9.749 2.250 4.366) 10.917 18.145 ( 8.436 3.662 -4.256) 10.134 ======================= Grid point 450 (239/250) ======================= q-point: (-0.22 -0.56 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( -5.350 0.775 -3.915) 6.674 1.540 ( -3.951 0.193 7.835) 8.777 1.865 ( 1.528 -2.431 0.095) 2.873 1.945 ( 3.161 -1.813 8.175) 8.951 2.216 ( -2.659 -1.793 3.805) 4.976 2.387 ( 2.556 2.081 1.960) 3.835 2.540 ( -6.452 -0.854 -8.801) 10.946 2.848 ( 5.727 2.185 -1.752) 6.375 3.915 ( -6.961 0.118 -0.305) 6.969 4.231 ( 3.383 0.822 -7.449) 8.222 4.865 ( -6.743 1.379 1.017) 6.957 5.193 ( 9.887 6.461 10.243) 15.634 5.842 ( -6.358 -9.440 -8.488) 14.198 6.092 ( 4.911 -5.245 4.205) 8.325 6.482 ( -0.926 -5.234 5.127) 7.385 6.717 ( 5.885 -1.686 -7.340) 9.558 7.254 ( 0.207 -0.653 5.178) 5.223 7.484 ( 8.580 -0.916 -4.023) 9.521 7.676 ( -9.923 3.526 1.583) 10.649 8.050 ( -0.477 2.412 -4.103) 4.783 8.274 ( 0.059 -2.671 -2.868) 3.919 8.473 ( 3.981 -1.653 9.818) 10.723 9.430 ( -9.425 1.098 -2.009) 9.699 9.808 ( 7.104 2.272 -3.732) 8.341 10.164 ( -7.425 1.098 -2.882) 8.040 10.457 ( 5.231 -1.689 2.415) 6.004 11.908 ( -10.269 4.670 -8.368) 14.046 12.251 ( 6.780 1.337 8.249) 10.761 16.287 ( -5.641 3.037 -3.582) 7.340 16.580 ( 7.751 2.923 4.144) 9.262 17.196 ( -0.467 0.476 -1.052) 1.246 17.230 ( 0.172 -1.046 0.153) 1.071 17.482 ( -5.626 -5.777 -9.368) 12.361 17.700 ( 4.917 -2.858 4.923) 7.522 17.785 ( -8.933 1.611 2.378) 9.383 18.183 ( 8.880 0.515 2.352) 9.201 ======================= Grid point 451 (240/250) ======================= q-point: (-0.11 -0.56 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( -4.183 -0.405 -2.805) 5.053 1.526 ( -5.511 -1.510 5.731) 8.093 1.931 ( 2.475 -2.206 -0.497) 3.353 2.031 ( 2.766 -0.217 5.193) 5.888 2.204 ( -0.642 2.567 1.502) 3.043 2.363 ( 1.031 1.851 1.672) 2.699 2.523 ( -2.871 -4.831 -5.339) 7.752 2.861 ( 3.401 0.741 -2.094) 4.062 3.818 ( -5.713 1.721 -3.739) 7.041 4.201 ( -0.905 1.176 -3.303) 3.621 4.810 ( -2.991 0.766 2.674) 4.085 5.225 ( 11.299 8.214 12.640) 18.839 5.913 ( -5.812 -10.934 -12.566) 17.642 6.222 ( 2.000 -3.370 4.353) 5.857 6.579 ( -0.449 -4.235 2.405) 4.891 6.745 ( 2.762 -0.059 -6.139) 6.732 7.330 ( 3.160 -2.398 7.166) 8.190 7.527 ( -6.464 -1.249 -1.528) 6.759 7.572 ( 7.033 3.972 -0.174) 8.079 7.953 ( -6.849 0.877 -6.844) 9.722 8.328 ( 3.549 -1.570 -0.513) 3.915 8.571 ( 2.383 -1.049 9.935) 10.271 9.316 ( -6.248 0.585 -5.792) 8.539 9.826 ( 5.204 2.001 -1.070) 5.677 10.071 ( -5.546 0.701 -1.371) 5.756 10.552 ( 4.643 -2.958 -1.033) 5.602 11.686 ( -8.747 5.300 -5.409) 11.570 12.317 ( 6.410 3.299 8.038) 10.797 16.186 ( -3.628 1.506 -2.215) 4.509 16.618 ( 6.497 3.886 5.642) 9.442 17.179 ( -0.027 0.525 -0.965) 1.099 17.248 ( -0.578 -0.939 0.781) 1.352 17.470 ( -4.643 -3.199 -7.797) 9.622 17.701 ( -6.673 -1.249 -1.154) 6.886 17.757 ( 1.782 -0.262 -1.056) 2.088 18.319 ( 7.002 -2.927 6.221) 9.813 ======================= Grid point 457 (241/250) ======================= q-point: (-0.44 -0.44 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( -4.994 0.000 4.287) 6.582 1.562 ( 1.589 -0.000 4.327) 4.610 1.836 ( -3.102 0.000 1.509) 3.449 1.899 ( 0.942 -0.000 -0.251) 0.975 2.066 ( -6.497 0.000 5.916) 8.787 2.290 ( 5.563 -0.000 -6.520) 8.570 2.769 ( -5.865 0.000 1.500) 6.054 2.907 ( 4.006 -0.000 -3.240) 5.152 3.897 ( -6.527 0.000 13.527) 15.019 4.218 ( 8.918 -0.000 -11.115) 14.250 5.093 ( -10.730 0.000 -10.874) 15.276 5.171 ( 6.517 -0.000 6.871) 9.470 5.761 ( -2.024 0.000 -6.256) 6.575 5.762 ( 3.216 -0.000 5.012) 5.955 6.299 ( -4.459 0.000 9.242) 10.261 6.585 ( 10.069 -0.000 -8.956) 13.476 7.263 ( -2.267 0.000 2.551) 3.413 7.394 ( 7.070 -0.000 -3.833) 8.042 7.948 ( -12.755 0.000 1.235) 12.815 8.145 ( -1.927 0.000 0.479) 1.986 8.198 ( 4.230 -0.000 -3.962) 5.796 8.247 ( 6.906 -0.000 5.935) 9.106 9.582 ( -10.129 0.000 4.507) 11.086 9.837 ( 7.412 -0.000 -6.990) 10.188 10.318 ( -7.153 0.000 -9.072) 11.553 10.351 ( 4.398 -0.000 6.469) 7.823 12.128 ( -5.306 0.000 -5.149) 7.394 12.163 ( 4.298 -0.000 5.163) 6.718 16.530 ( -2.577 0.000 -1.735) 3.106 16.590 ( 2.893 -0.000 -1.985) 3.508 17.146 ( -1.605 0.000 -1.361) 2.104 17.169 ( 3.708 -0.000 3.830) 5.331 17.405 ( -4.820 0.000 -7.590) 8.991 17.419 ( 4.955 -0.000 7.587) 9.062 17.955 ( -9.598 0.000 6.392) 11.531 18.222 ( 8.782 -0.000 -6.440) 10.891 ======================= Grid point 458 (242/250) ======================= q-point: (-0.33 -0.44 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( -3.311 0.426 3.238) 4.651 1.581 ( -2.105 1.206 8.100) 8.455 1.825 ( 0.495 0.274 1.784) 1.872 1.908 ( 1.423 0.204 4.380) 4.610 2.078 ( -4.356 -4.445 5.104) 8.049 2.330 ( 3.298 -2.292 -5.859) 7.103 2.674 ( -5.880 4.350 0.665) 7.344 2.918 ( 3.272 0.961 -2.733) 4.370 3.890 ( -6.011 -0.890 6.260) 8.724 4.240 ( 5.646 -0.170 -12.762) 13.956 4.919 ( -10.585 1.740 -5.520) 12.065 5.264 ( 3.293 -2.334 3.215) 5.160 5.702 ( -0.515 2.271 0.209) 2.338 5.906 ( 6.494 -5.245 6.887) 10.822 6.346 ( 1.279 -2.174 8.162) 8.543 6.657 ( 8.593 -1.271 -8.404) 12.086 7.258 ( -0.367 0.432 3.473) 3.519 7.459 ( 8.007 -0.287 -3.472) 8.732 7.793 ( -11.870 2.514 0.571) 12.147 8.082 ( -7.271 -1.052 -4.448) 8.589 8.250 ( 8.638 2.079 0.673) 8.910 8.386 ( 5.965 -3.172 7.055) 9.768 9.475 ( -11.601 1.072 2.361) 11.887 9.856 ( 4.802 0.500 -8.714) 9.962 10.206 ( -6.466 1.108 -4.679) 8.058 10.427 ( 3.291 -0.355 7.624) 8.312 12.018 ( -7.874 1.755 -8.727) 11.885 12.224 ( 2.455 -1.622 2.829) 4.082 16.421 ( -6.021 4.170 -5.475) 9.144 16.612 ( 2.464 -1.488 -2.844) 4.047 17.151 ( -0.700 -2.168 -2.076) 3.082 17.229 ( 4.257 1.209 3.511) 5.649 17.351 ( -2.923 -1.132 -4.146) 5.197 17.560 ( 7.139 -3.710 11.328) 13.894 17.871 ( -8.968 1.803 5.724) 10.790 18.262 ( 8.232 2.161 -5.109) 9.926 ======================= Grid point 459 (243/250) ======================= q-point: (-0.22 -0.44 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( -2.789 2.436 0.076) 3.704 1.546 ( -6.850 2.139 11.549) 13.597 1.864 ( 3.495 -1.204 1.073) 3.849 1.963 ( 1.271 -1.965 4.420) 5.001 2.163 ( -0.435 -4.865 6.514) 8.142 2.370 ( -1.294 -3.789 -6.673) 7.782 2.530 ( -2.098 6.764 1.334) 7.206 2.919 ( 3.072 1.547 -2.284) 4.129 3.850 ( -5.137 0.125 -1.323) 5.306 4.225 ( 1.896 0.381 -10.042) 10.227 4.799 ( -8.152 -0.638 0.484) 8.191 5.352 ( 1.618 -4.212 -0.307) 4.522 5.683 ( 2.079 1.646 2.936) 3.957 6.095 ( 6.520 -4.096 8.102) 11.177 6.450 ( 3.826 -2.689 5.492) 7.213 6.718 ( 5.794 -1.344 -7.992) 9.962 7.280 ( 1.535 -0.316 5.506) 5.725 7.508 ( 0.746 0.279 -1.713) 1.889 7.672 ( -2.409 1.281 0.346) 2.750 7.984 ( -7.845 0.860 -5.350) 9.535 8.314 ( 8.069 0.856 0.079) 8.115 8.515 ( 3.086 -2.283 8.062) 8.929 9.343 ( -10.196 1.135 -0.543) 10.273 9.859 ( 4.385 -0.254 -8.625) 9.679 10.106 ( -5.818 1.624 -1.221) 6.163 10.495 ( 1.696 -0.675 7.070) 7.302 11.836 ( -9.255 3.519 -9.878) 13.986 12.300 ( 1.508 -3.393 1.687) 4.078 16.270 ( -5.163 3.343 -4.219) 7.459 16.660 ( 2.137 -2.298 -2.344) 3.917 17.175 ( -0.555 -2.543 -3.121) 4.064 17.234 ( 3.004 3.180 1.610) 4.661 17.343 ( -1.872 -1.927 -1.302) 2.986 17.730 ( 2.978 -2.486 7.474) 8.420 17.770 ( -5.280 3.027 4.533) 7.589 18.296 ( 8.422 1.437 -0.327) 8.549 ======================= Grid point 460 (244/250) ======================= q-point: (-0.11 -0.44 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( -2.078 2.207 0.521) 3.076 1.494 ( -6.386 1.192 10.798) 12.602 1.925 ( 2.410 -1.455 0.708) 2.903 2.021 ( -1.180 -2.912 1.360) 3.424 2.261 ( 2.792 -0.370 2.921) 4.057 2.346 ( -3.498 -1.814 -7.101) 8.121 2.471 ( 1.793 1.688 5.388) 5.924 2.905 ( 2.244 1.916 -2.438) 3.828 3.782 ( -2.580 1.178 -4.329) 5.176 4.187 ( -0.853 0.545 -4.496) 4.609 4.767 ( -5.499 -2.214 2.964) 6.628 5.433 ( -0.263 -4.454 -1.804) 4.812 5.708 ( 5.285 1.273 1.776) 5.719 6.232 ( 3.771 -1.735 6.217) 7.475 6.551 ( 3.587 -2.066 2.673) 4.927 6.745 ( 2.742 -0.128 -5.979) 6.579 7.356 ( 3.000 -2.342 6.779) 7.774 7.458 ( -4.587 0.361 0.472) 4.625 7.689 ( 4.304 0.574 0.579) 4.381 7.847 ( -7.989 2.356 -6.377) 10.490 8.374 ( 5.738 0.725 -0.668) 5.822 8.606 ( 1.044 -1.785 8.288) 8.542 9.239 ( -5.386 0.093 -3.739) 6.558 9.879 ( 4.225 0.033 -5.826) 7.197 10.026 ( -4.167 0.710 -0.182) 4.231 10.546 ( -0.025 -1.261 4.447) 4.622 11.647 ( -7.662 3.181 -6.573) 10.585 12.376 ( 0.552 -3.190 0.661) 3.304 16.172 ( -2.656 1.671 -2.162) 3.811 16.704 ( 0.361 -2.005 -1.320) 2.428 17.192 ( -0.757 -1.183 -2.237) 2.642 17.218 ( 2.824 2.315 0.936) 3.769 17.357 ( -1.516 -2.049 -0.606) 2.620 17.678 ( -3.644 2.458 2.910) 5.272 17.784 ( 0.981 1.364 1.186) 2.057 18.384 ( 7.057 -0.621 3.618) 7.955 ======================= Grid point 467 (245/250) ======================= q-point: (-0.33 -0.33 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.472 ( -1.402 0.000 6.299) 6.453 1.591 ( -5.480 0.000 8.738) 10.314 1.864 ( 3.733 -0.000 2.169) 4.317 1.952 ( 1.659 -0.000 6.700) 6.903 2.010 ( -3.315 0.000 5.531) 6.448 2.293 ( -0.377 0.000 -7.919) 7.928 2.683 ( -2.765 0.000 3.192) 4.223 2.935 ( 2.127 -0.000 -2.872) 3.574 3.847 ( -4.570 0.000 1.468) 4.800 4.230 ( 4.175 -0.000 -12.887) 13.547 4.795 ( -10.181 0.000 -6.288) 11.966 5.209 ( -6.330 0.000 -0.961) 6.403 5.794 ( 7.362 -0.000 2.005) 7.630 5.983 ( 8.828 -0.000 16.212) 18.460 6.404 ( 5.933 -0.000 7.175) 9.310 6.686 ( 6.631 -0.000 -8.758) 10.985 7.284 ( 0.830 -0.000 4.704) 4.777 7.521 ( 6.219 -0.000 -1.510) 6.400 7.684 ( -12.077 0.000 -0.324) 12.081 8.001 ( -2.611 0.000 -5.216) 5.833 8.369 ( 6.833 -0.000 2.095) 7.147 8.435 ( 5.135 -0.000 6.084) 7.961 9.372 ( -11.991 0.000 1.990) 12.155 9.844 ( 2.145 -0.000 -11.013) 11.220 10.148 ( -4.738 0.000 -1.543) 4.983 10.484 ( 0.805 -0.000 9.501) 9.535 11.915 ( -8.027 0.000 -9.900) 12.746 12.201 ( -1.812 0.000 -3.196) 3.674 16.372 ( -7.144 0.000 -6.082) 9.382 16.556 ( -0.948 0.000 -7.072) 7.135 17.129 ( 0.394 -0.000 -0.844) 0.931 17.305 ( -0.588 0.000 -2.921) 2.980 17.343 ( 6.982 -0.000 5.229) 8.723 17.649 ( 4.965 -0.000 14.591) 15.413 17.830 ( -6.010 0.000 5.661) 8.256 18.339 ( 8.030 -0.000 -5.274) 9.607 ======================= Grid point 468 (246/250) ======================= q-point: (-0.22 -0.33 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.455 ( -1.381 3.275 4.492) 5.728 1.560 ( -7.323 0.916 12.118) 14.189 1.904 ( 3.635 0.491 1.315) 3.896 1.964 ( -0.171 0.771 3.786) 3.867 2.108 ( 1.598 -5.889 8.545) 10.500 2.251 ( -3.922 -2.273 -9.233) 10.286 2.645 ( 0.770 4.638 4.818) 6.731 2.947 ( 2.490 0.092 -2.623) 3.617 3.806 ( -2.301 0.285 -3.033) 3.818 4.208 ( 2.341 0.577 -10.236) 10.516 4.687 ( -8.551 -1.533 -2.056) 8.927 5.164 ( -8.923 -5.876 -6.115) 12.310 5.870 ( 10.945 3.783 7.555) 13.827 6.166 ( 7.118 -1.709 14.507) 16.249 6.511 ( 8.191 -0.293 4.966) 9.583 6.714 ( 4.766 -1.109 -8.518) 9.823 7.305 ( -2.527 -0.290 5.834) 6.364 7.522 ( -1.598 2.629 1.370) 3.368 7.628 ( -2.507 -2.911 0.451) 3.869 7.952 ( 0.726 2.194 -5.874) 6.313 8.418 ( 6.225 1.817 1.297) 6.613 8.531 ( 2.064 -2.434 5.819) 6.637 9.257 ( -9.454 0.700 0.583) 9.498 9.833 ( 3.562 -1.384 -10.303) 10.989 10.084 ( -4.601 1.551 0.027) 4.856 10.526 ( -1.689 -0.280 9.707) 9.857 11.755 ( -8.331 2.825 -10.717) 13.865 12.193 ( -4.221 -5.222 -5.963) 8.980 16.252 ( -4.968 2.473 -4.204) 6.962 16.553 ( -2.352 -4.375 -6.952) 8.544 17.139 ( 0.667 -0.951 -1.375) 1.800 17.285 ( -0.893 -0.133 -2.000) 2.194 17.403 ( 6.480 3.707 5.365) 9.193 17.709 ( -5.921 -0.785 6.031) 8.488 17.852 ( 5.271 1.722 10.832) 12.169 18.393 ( 8.144 0.652 -2.793) 8.634 ======================= Grid point 469 (247/250) ======================= q-point: (-0.11 -0.33 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( -1.274 3.764 4.671) 6.132 1.524 ( -5.597 2.069 13.475) 14.737 1.937 ( 1.099 -0.934 0.220) 1.459 1.963 ( -0.846 -0.069 0.441) 0.956 2.206 ( -3.685 -3.516 -7.608) 9.156 2.274 ( 2.299 -4.733 4.943) 7.219 2.598 ( 2.817 5.545 6.107) 8.717 2.947 ( 2.258 1.559 -2.831) 3.942 3.771 ( 1.187 0.782 -4.664) 4.876 4.172 ( 0.365 0.730 -5.254) 5.317 4.657 ( -7.143 -3.782 2.259) 8.392 5.172 ( -8.393 -9.529 -11.535) 17.155 5.953 ( 12.222 5.572 10.657) 17.147 6.290 ( 3.515 -0.188 8.767) 9.447 6.605 ( 7.328 0.629 1.395) 7.486 6.746 ( 3.233 -0.387 -4.189) 5.306 7.306 ( -6.760 -4.036 4.117) 8.884 7.495 ( 3.271 2.728 3.738) 5.667 7.646 ( -4.424 -1.628 1.109) 4.843 7.885 ( 2.436 4.428 -4.043) 6.472 8.446 ( 4.099 1.830 -0.510) 4.518 8.606 ( 0.033 -2.348 5.778) 6.237 9.180 ( -3.402 -0.147 -1.448) 3.700 9.869 ( 4.383 -1.794 -8.723) 9.926 10.014 ( -2.522 1.365 0.973) 3.029 10.542 ( -4.096 -0.299 8.384) 9.335 11.585 ( -6.771 2.075 -7.824) 10.553 12.232 ( -5.629 -8.001 -7.213) 12.155 16.170 ( -1.471 1.519 -1.794) 2.773 16.576 ( -4.269 -5.270 -6.470) 9.373 17.158 ( 0.312 -1.217 -1.507) 1.962 17.274 ( -0.773 -0.406 -1.172) 1.461 17.411 ( 4.673 4.424 6.048) 8.831 17.681 ( -2.624 -0.226 1.892) 3.243 17.876 ( 2.916 5.672 7.581) 9.907 18.464 ( 6.964 0.157 0.546) 6.987 ======================= Grid point 477 (248/250) ======================= q-point: (-0.22 -0.22 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.508 ( -0.796 0.000 5.995) 6.047 1.528 ( -8.001 0.000 10.737) 13.391 1.924 ( 0.894 -0.000 -2.359) 2.523 2.066 ( 2.657 -0.000 7.334) 7.801 2.069 ( 0.412 -0.000 8.112) 8.123 2.142 ( -3.400 0.000 -8.576) 9.225 2.726 ( 1.543 -0.000 6.470) 6.651 2.964 ( 3.463 -0.000 -3.222) 4.730 3.785 ( 1.197 -0.000 -4.538) 4.693 4.197 ( 2.128 -0.000 -8.311) 8.579 4.578 ( -6.748 0.000 -2.682) 7.261 4.978 ( -10.894 0.000 -6.294) 12.581 6.051 ( 12.176 -0.000 6.171) 13.651 6.284 ( 3.632 -0.000 15.304) 15.729 6.645 ( 12.394 -0.000 5.825) 13.695 6.705 ( 3.843 -0.000 -9.200) 9.970 7.245 ( -11.537 0.000 3.599) 12.086 7.564 ( -3.580 0.000 5.594) 6.641 7.597 ( 5.000 -0.000 3.518) 6.113 7.973 ( 3.333 -0.000 -6.728) 7.509 8.501 ( 4.252 -0.000 1.873) 4.646 8.537 ( 0.383 -0.000 3.458) 3.479 9.187 ( -5.512 0.000 0.880) 5.581 9.821 ( 5.598 -0.000 -9.565) 11.083 10.052 ( -4.132 0.000 0.172) 4.135 10.536 ( -4.770 0.000 10.615) 11.637 11.654 ( -7.437 0.000 -11.291) 13.520 12.032 ( -8.309 0.000 -10.292) 13.228 16.212 ( -3.180 0.000 -3.158) 4.482 16.461 ( -2.464 0.000 -5.409) 5.944 17.133 ( 0.442 -0.000 -0.775) 0.892 17.262 ( -1.361 0.000 -1.997) 2.417 17.519 ( 5.400 -0.000 2.167) 5.818 17.657 ( -6.309 0.000 4.137) 7.545 18.004 ( 7.219 -0.000 15.370) 16.981 18.464 ( 8.037 -0.000 -3.961) 8.961 ======================= Grid point 478 (249/250) ======================= q-point: (-0.11 -0.22 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.463 ( -3.404 2.996 8.326) 9.481 1.541 ( -3.732 -0.483 9.749) 10.450 1.903 ( -1.106 0.480 -5.476) 5.607 2.028 ( -2.247 0.935 0.665) 2.523 2.082 ( 0.451 -0.249 -2.192) 2.251 2.237 ( 2.200 -4.984 6.527) 8.502 2.739 ( 2.309 3.683 6.766) 8.042 2.981 ( 3.351 0.787 -3.753) 5.092 3.792 ( 4.975 0.410 -4.748) 6.890 4.170 ( 0.192 0.900 -5.014) 5.098 4.535 ( -5.901 -2.627 1.103) 6.553 4.895 ( -8.779 -6.105 -9.730) 14.458 6.181 ( 11.151 2.255 6.773) 13.240 6.360 ( 1.044 0.365 9.757) 9.820 6.693 ( 5.222 1.186 -6.309) 8.276 6.802 ( 9.311 0.871 5.134) 10.668 7.157 ( -10.596 -3.279 2.085) 11.286 7.547 ( -4.438 -0.023 7.086) 8.361 7.670 ( 6.751 1.898 3.730) 7.943 7.944 ( 0.166 2.402 -4.262) 4.895 8.511 ( 1.614 2.016 0.446) 2.621 8.581 ( -0.117 -2.350 2.616) 3.519 9.164 ( 1.336 0.148 0.407) 1.405 9.837 ( 0.853 -0.931 -8.631) 8.723 10.033 ( 3.896 0.342 0.007) 3.911 10.521 ( -7.565 -0.121 10.144) 12.655 11.514 ( -5.818 1.640 -9.067) 10.897 11.959 ( -10.026 -7.763 -11.527) 17.137 16.177 ( 0.452 0.818 -1.408) 1.690 16.437 ( -3.741 -2.774 -4.222) 6.286 17.138 ( -0.209 -0.686 -0.348) 0.797 17.242 ( -1.683 -0.548 -1.836) 2.550 17.533 ( 1.951 3.070 2.336) 4.323 17.641 ( -2.036 -1.871 0.670) 2.845 18.086 ( 5.670 6.049 13.783) 16.084 18.531 ( 6.903 -0.198 -2.708) 7.417 ======================= Grid point 487 (250/250) ======================= q-point: (-0.11 -0.11 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( -5.418 0.000 11.116) 12.366 1.548 ( -0.817 0.000 7.138) 7.185 1.882 ( -0.593 0.000 -6.621) 6.647 1.917 ( -4.334 0.000 -10.653) 11.501 2.188 ( 2.320 -0.000 7.059) 7.430 2.224 ( 2.830 -0.000 6.784) 7.350 2.820 ( 1.144 -0.000 6.914) 7.008 3.007 ( 3.867 -0.000 -4.847) 6.201 3.842 ( 8.087 -0.000 -4.318) 9.168 4.144 ( -3.649 0.000 -2.917) 4.672 4.473 ( -2.783 0.000 0.575) 2.842 4.715 ( -7.050 0.000 -8.115) 10.750 6.326 ( 9.128 -0.000 3.190) 9.669 6.404 ( -0.760 0.000 7.938) 7.974 6.718 ( 5.069 -0.000 -6.681) 8.386 6.916 ( -2.615 0.000 4.781) 5.449 7.070 ( 3.623 -0.000 4.566) 5.829 7.527 ( -4.809 0.000 6.892) 8.404 7.783 ( 6.396 -0.000 4.558) 7.854 7.930 ( -3.197 0.000 -3.200) 4.523 8.539 ( -1.177 0.000 1.668) 2.042 8.566 ( 0.887 -0.000 0.277) 0.929 9.216 ( 7.477 -0.000 0.711) 7.511 9.766 ( -5.823 0.000 -7.468) 9.470 10.119 ( 13.202 -0.000 -2.172) 13.380 10.473 ( -10.506 0.000 10.104) 14.577 11.439 ( -3.830 0.000 -8.825) 9.621 11.714 ( -12.026 0.000 -11.068) 16.344 16.196 ( 3.037 -0.000 -1.113) 3.234 16.363 ( -3.926 0.000 -1.905) 4.363 17.128 ( -0.761 0.000 0.579) 0.957 17.210 ( -1.840 0.000 -1.986) 2.707 17.590 ( 0.904 -0.000 0.064) 0.906 17.594 ( -1.456 0.000 0.319) 1.491 18.263 ( 4.274 -0.000 14.472) 15.090 18.580 ( 6.542 -0.000 -4.919) 8.185 =================== 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 3/32076 10.0 209.554 87.870 281.884 -0.000 73.913 -0.000 3/32076 20.0 65.504 27.422 79.674 -0.000 15.894 -0.000 3/32076 30.0 35.194 15.143 41.337 -0.000 7.809 -0.000 3/32076 40.0 23.103 10.215 26.849 -0.000 4.888 -0.000 3/32076 50.0 16.833 7.624 19.495 -0.000 3.421 -0.000 3/32076 60.0 13.038 6.032 15.077 -0.000 2.547 -0.000 3/32076 70.0 10.500 4.951 12.124 -0.000 1.970 -0.000 3/32076 80.0 8.695 4.171 10.023 -0.000 1.569 -0.000 3/32076 90.0 7.362 3.584 8.469 -0.000 1.281 -0.000 3/32076 100.0 6.351 3.131 7.291 -0.000 1.069 -0.000 3/32076 110.0 5.566 2.773 6.377 -0.000 0.911 -0.000 3/32076 120.0 4.945 2.486 5.655 -0.000 0.789 -0.000 3/32076 130.0 4.445 2.251 5.075 -0.000 0.695 -0.000 3/32076 140.0 4.035 2.057 4.601 -0.000 0.620 -0.000 3/32076 150.0 3.695 1.894 4.207 -0.000 0.560 -0.000 3/32076 160.0 3.409 1.755 3.877 -0.000 0.510 -0.000 3/32076 170.0 3.165 1.636 3.595 -0.000 0.469 -0.000 3/32076 180.0 2.955 1.533 3.353 -0.000 0.434 -0.000 3/32076 190.0 2.772 1.443 3.143 -0.000 0.405 -0.000 3/32076 200.0 2.612 1.363 2.959 -0.000 0.379 -0.000 3/32076 210.0 2.470 1.292 2.796 -0.000 0.357 -0.000 3/32076 220.0 2.343 1.229 2.651 -0.000 0.337 -0.000 3/32076 230.0 2.230 1.171 2.521 -0.000 0.320 -0.000 3/32076 240.0 2.128 1.120 2.404 -0.000 0.305 -0.000 3/32076 250.0 2.035 1.073 2.298 -0.000 0.291 -0.000 3/32076 260.0 1.950 1.029 2.201 -0.000 0.278 -0.000 3/32076 270.0 1.872 0.990 2.112 -0.000 0.267 -0.000 3/32076 280.0 1.801 0.953 2.031 -0.000 0.256 -0.000 3/32076 290.0 1.735 0.920 1.956 -0.000 0.246 -0.000 3/32076 300.0 1.674 0.888 1.886 -0.000 0.238 -0.000 3/32076 310.0 1.617 0.859 1.822 -0.000 0.229 -0.000 3/32076 320.0 1.564 0.832 1.762 -0.000 0.222 -0.000 3/32076 330.0 1.515 0.806 1.706 -0.000 0.215 -0.000 3/32076 340.0 1.469 0.782 1.653 -0.000 0.208 -0.000 3/32076 350.0 1.425 0.760 1.604 -0.000 0.202 -0.000 3/32076 360.0 1.385 0.738 1.558 -0.000 0.196 -0.000 3/32076 370.0 1.346 0.718 1.514 -0.000 0.191 -0.000 3/32076 380.0 1.310 0.699 1.473 -0.000 0.185 -0.000 3/32076 390.0 1.275 0.681 1.434 -0.000 0.180 -0.000 3/32076 400.0 1.243 0.664 1.397 -0.000 0.176 -0.000 3/32076 410.0 1.212 0.648 1.362 -0.000 0.171 -0.000 3/32076 420.0 1.182 0.633 1.329 -0.000 0.167 -0.000 3/32076 430.0 1.154 0.618 1.297 -0.000 0.163 -0.000 3/32076 440.0 1.128 0.604 1.267 -0.000 0.160 -0.000 3/32076 450.0 1.102 0.591 1.238 -0.000 0.156 -0.000 3/32076 460.0 1.078 0.578 1.211 -0.000 0.153 -0.000 3/32076 470.0 1.055 0.565 1.184 -0.000 0.149 -0.000 3/32076 480.0 1.033 0.554 1.159 -0.000 0.146 -0.000 3/32076 490.0 1.011 0.542 1.135 -0.000 0.143 -0.000 3/32076 500.0 0.991 0.532 1.112 -0.000 0.140 -0.000 3/32076 510.0 0.971 0.521 1.090 -0.000 0.137 -0.000 3/32076 520.0 0.952 0.511 1.069 -0.000 0.135 -0.000 3/32076 530.0 0.934 0.502 1.048 -0.000 0.132 -0.000 3/32076 540.0 0.917 0.492 1.029 -0.000 0.130 -0.000 3/32076 550.0 0.900 0.484 1.010 -0.000 0.127 -0.000 3/32076 560.0 0.884 0.475 0.992 -0.000 0.125 -0.000 3/32076 570.0 0.868 0.467 0.974 -0.000 0.123 -0.000 3/32076 580.0 0.853 0.459 0.957 -0.000 0.121 -0.000 3/32076 590.0 0.839 0.451 0.941 -0.000 0.119 -0.000 3/32076 600.0 0.825 0.443 0.925 -0.000 0.117 -0.000 3/32076 610.0 0.811 0.436 0.910 -0.000 0.115 -0.000 3/32076 620.0 0.798 0.429 0.895 -0.000 0.113 -0.000 3/32076 630.0 0.785 0.422 0.880 -0.000 0.111 -0.000 3/32076 640.0 0.773 0.416 0.867 -0.000 0.109 -0.000 3/32076 650.0 0.761 0.410 0.853 -0.000 0.108 -0.000 3/32076 660.0 0.749 0.403 0.840 -0.000 0.106 -0.000 3/32076 670.0 0.738 0.397 0.828 -0.000 0.105 -0.000 3/32076 680.0 0.727 0.392 0.815 -0.000 0.103 -0.000 3/32076 690.0 0.717 0.386 0.803 -0.000 0.102 -0.000 3/32076 700.0 0.706 0.380 0.792 -0.000 0.100 -0.000 3/32076 710.0 0.696 0.375 0.781 -0.000 0.099 -0.000 3/32076 720.0 0.687 0.370 0.770 -0.000 0.097 -0.000 3/32076 730.0 0.677 0.365 0.759 -0.000 0.096 -0.000 3/32076 740.0 0.668 0.360 0.749 -0.000 0.095 -0.000 3/32076 750.0 0.659 0.355 0.739 -0.000 0.093 -0.000 3/32076 760.0 0.650 0.351 0.729 -0.000 0.092 -0.000 3/32076 770.0 0.642 0.346 0.720 -0.000 0.091 -0.000 3/32076 780.0 0.634 0.342 0.710 -0.000 0.090 -0.000 3/32076 790.0 0.626 0.337 0.701 -0.000 0.089 -0.000 3/32076 800.0 0.618 0.333 0.692 -0.000 0.088 -0.000 3/32076 810.0 0.610 0.329 0.684 -0.000 0.086 -0.000 3/32076 820.0 0.603 0.325 0.675 -0.000 0.085 -0.000 3/32076 830.0 0.595 0.321 0.667 -0.000 0.084 -0.000 3/32076 840.0 0.588 0.317 0.659 -0.000 0.083 -0.000 3/32076 850.0 0.581 0.314 0.652 -0.000 0.082 -0.000 3/32076 860.0 0.575 0.310 0.644 -0.000 0.081 -0.000 3/32076 870.0 0.568 0.306 0.637 -0.000 0.081 -0.000 3/32076 880.0 0.562 0.303 0.629 -0.000 0.080 -0.000 3/32076 890.0 0.555 0.300 0.622 -0.000 0.079 -0.000 3/32076 900.0 0.549 0.296 0.615 -0.000 0.078 -0.000 3/32076 910.0 0.543 0.293 0.608 -0.000 0.077 -0.000 3/32076 920.0 0.537 0.290 0.602 -0.000 0.076 -0.000 3/32076 930.0 0.531 0.287 0.595 -0.000 0.075 -0.000 3/32076 940.0 0.526 0.284 0.589 -0.000 0.075 -0.000 3/32076 950.0 0.520 0.281 0.583 -0.000 0.074 -0.000 3/32076 960.0 0.515 0.278 0.577 -0.000 0.073 -0.000 3/32076 970.0 0.509 0.275 0.571 -0.000 0.072 -0.000 3/32076 980.0 0.504 0.272 0.565 -0.000 0.071 -0.000 3/32076 990.0 0.499 0.269 0.559 -0.000 0.071 -0.000 3/32076 1000.0 0.494 0.267 0.554 -0.000 0.070 -0.000 3/32076 Thermal conductivity related properties were written into "kappa-m9911.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:07:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|