----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 20:41:49]------------------------- Compiled with OpenMP support (max 32 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ] Spacegroup: Fddd (70) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 0.000000000000000 5.081476240000000 6.312126750000000 b 3.059904734999999 0.000000000000000 6.312126750000000 c 3.059904734999999 5.081476240000000 0.000000000000000 Atomic positions (fractional): *1 O 0.93217366065602 0.42176170974706 0.76649530002323 15.999 2 O 0.76649530002323 0.87956932957370 0.93217366065602 15.999 3 O 0.37043067042630 0.48350469997677 0.82823829025295 15.999 4 O 0.31782633934398 0.82823829025295 0.48350469997677 15.999 5 O 0.82823829025295 0.31782633934398 0.37043067042630 15.999 6 O 0.42176170974705 0.93217366065602 0.87956932957370 15.999 7 O 0.87956932957370 0.76649530002323 0.42176170974706 15.999 8 O 0.48350469997677 0.37043067042630 0.31782633934398 15.999 *9 Na 0.18502212733998 0.81497787266002 0.18502212733998 22.990 10 Na 0.43502212733998 0.06497787266002 0.43502212733998 22.990 11 Na 0.81497787266002 0.18502212733998 0.81497787266002 22.990 12 Na 0.06497787266002 0.43502212733998 0.06497787266002 22.990 *13 Se 0.75000000000000 0.75000000000000 0.75000000000000 78.960 14 Se 0.50000000000000 0.50000000000000 0.50000000000000 78.960 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.119809469999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.162952480000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.624253500000000 Atomic positions (fractional): *1 O 0.59412850488514 0.34933448033962 0.17696768520154 15.999 > 1 2 O 0.90587149511486 0.34933448033962 0.32303231479846 15.999 > 2 3 O 0.15587149511486 0.09933448033962 0.42696768520154 15.999 > 3 4 O 0.65587149511486 0.90066551966038 0.07303231479846 15.999 > 4 5 O 0.34412850488514 0.09933448033962 0.07303231479846 15.999 > 5 6 O 0.90587149511486 0.15066551966038 0.17696768520154 15.999 > 6 7 O 0.59412850488514 0.15066551966038 0.32303231479846 15.999 > 7 8 O 0.84412850488514 0.90066551966038 0.42696768520154 15.999 > 8 9 O 0.59412850488514 0.84933448033962 0.67696768520154 15.999 > 1 10 O 0.90587149511486 0.84933448033962 0.82303231479846 15.999 > 2 11 O 0.15587149511486 0.59933448033962 0.92696768520154 15.999 > 3 12 O 0.65587149511486 0.40066551966038 0.57303231479846 15.999 > 4 13 O 0.34412850488514 0.59933448033962 0.57303231479846 15.999 > 5 14 O 0.90587149511486 0.65066551966038 0.67696768520154 15.999 > 6 15 O 0.59412850488514 0.65066551966038 0.82303231479846 15.999 > 7 16 O 0.84412850488514 0.40066551966038 0.92696768520154 15.999 > 8 17 O 0.09412850488514 0.34933448033962 0.67696768520154 15.999 > 1 18 O 0.40587149511486 0.34933448033962 0.82303231479846 15.999 > 2 19 O 0.65587149511486 0.09933448033962 0.92696768520154 15.999 > 3 20 O 0.15587149511486 0.90066551966038 0.57303231479846 15.999 > 4 21 O 0.84412850488514 0.09933448033962 0.57303231479846 15.999 > 5 22 O 0.40587149511486 0.15066551966038 0.67696768520154 15.999 > 6 23 O 0.09412850488514 0.15066551966038 0.82303231479846 15.999 > 7 24 O 0.34412850488514 0.90066551966038 0.92696768520154 15.999 > 8 25 O 0.09412850488514 0.84933448033962 0.17696768520154 15.999 > 1 26 O 0.40587149511486 0.84933448033962 0.32303231479846 15.999 > 2 27 O 0.65587149511486 0.59933448033962 0.42696768520154 15.999 > 3 28 O 0.15587149511486 0.40066551966038 0.07303231479846 15.999 > 4 29 O 0.84412850488514 0.59933448033962 0.07303231479846 15.999 > 5 30 O 0.40587149511486 0.65066551966038 0.17696768520154 15.999 > 6 31 O 0.09412850488514 0.65066551966038 0.32303231479846 15.999 > 7 32 O 0.34412850488514 0.40066551966038 0.42696768520154 15.999 > 8 *33 Na 0.50000000000000 0.68502212733998 0.00000000000000 22.990 > 9 34 Na 0.75000000000000 0.93502212733998 0.25000000000000 22.990 > 10 35 Na 0.50000000000000 0.31497787266002 0.00000000000000 22.990 > 11 36 Na 0.75000000000000 0.56497787266002 0.25000000000000 22.990 > 12 37 Na 0.50000000000000 0.18502212733998 0.50000000000000 22.990 > 9 38 Na 0.75000000000000 0.43502212733998 0.75000000000000 22.990 > 10 39 Na 0.50000000000000 0.81497787266002 0.50000000000000 22.990 > 11 40 Na 0.75000000000000 0.06497787266002 0.75000000000000 22.990 > 12 41 Na 0.00000000000000 0.68502212733998 0.50000000000000 22.990 > 9 42 Na 0.25000000000000 0.93502212733998 0.75000000000000 22.990 > 10 43 Na 0.00000000000000 0.31497787266002 0.50000000000000 22.990 > 11 44 Na 0.25000000000000 0.56497787266002 0.75000000000000 22.990 > 12 45 Na 0.00000000000000 0.18502212733998 0.00000000000000 22.990 > 9 46 Na 0.25000000000000 0.43502212733998 0.25000000000000 22.990 > 10 47 Na 0.00000000000000 0.81497787266002 0.00000000000000 22.990 > 11 48 Na 0.25000000000000 0.06497787266002 0.25000000000000 22.990 > 12 *49 Se 0.75000000000000 0.25000000000000 0.25000000000000 78.960 > 13 50 Se 0.50000000000000 0.00000000000000 0.00000000000000 78.960 > 14 51 Se 0.75000000000000 0.75000000000000 0.75000000000000 78.960 > 13 52 Se 0.50000000000000 0.50000000000000 0.50000000000000 78.960 > 14 53 Se 0.25000000000000 0.25000000000000 0.75000000000000 78.960 > 13 54 Se 0.00000000000000 0.00000000000000 0.50000000000000 78.960 > 14 55 Se 0.25000000000000 0.75000000000000 0.25000000000000 78.960 > 13 56 Se 0.00000000000000 0.50000000000000 0.00000000000000 78.960 > 14 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.239618939999998 0.000000000000000 0.000000000000000 b 0.000000000000000 10.162952480000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.624253500000000 Atomic positions (fractional): *1 O 0.29706425244257 0.34933448033962 0.17696768520154 15.999 > 1 2 O 0.79706425244257 0.34933448033962 0.17696768520154 15.999 > 1 3 O 0.45293574755743 0.34933448033962 0.32303231479846 15.999 > 2 4 O 0.95293574755743 0.34933448033962 0.32303231479846 15.999 > 2 5 O 0.07793574755743 0.09933448033962 0.42696768520154 15.999 > 3 6 O 0.57793574755743 0.09933448033962 0.42696768520154 15.999 > 3 7 O 0.32793574755743 0.90066551966038 0.07303231479846 15.999 > 4 8 O 0.82793574755743 0.90066551966038 0.07303231479846 15.999 > 4 9 O 0.17206425244257 0.09933448033962 0.07303231479846 15.999 > 5 10 O 0.67206425244257 0.09933448033962 0.07303231479846 15.999 > 5 11 O 0.45293574755743 0.15066551966038 0.17696768520154 15.999 > 6 12 O 0.95293574755743 0.15066551966038 0.17696768520154 15.999 > 6 13 O 0.29706425244257 0.15066551966038 0.32303231479846 15.999 > 7 14 O 0.79706425244257 0.15066551966038 0.32303231479846 15.999 > 7 15 O 0.42206425244257 0.90066551966038 0.42696768520154 15.999 > 8 16 O 0.92206425244257 0.90066551966038 0.42696768520154 15.999 > 8 17 O 0.29706425244257 0.84933448033962 0.67696768520154 15.999 > 1 18 O 0.79706425244257 0.84933448033962 0.67696768520154 15.999 > 1 19 O 0.45293574755743 0.84933448033962 0.82303231479846 15.999 > 2 20 O 0.95293574755743 0.84933448033962 0.82303231479846 15.999 > 2 21 O 0.07793574755743 0.59933448033962 0.92696768520154 15.999 > 3 22 O 0.57793574755743 0.59933448033962 0.92696768520154 15.999 > 3 23 O 0.32793574755743 0.40066551966038 0.57303231479846 15.999 > 4 24 O 0.82793574755743 0.40066551966038 0.57303231479846 15.999 > 4 25 O 0.17206425244257 0.59933448033962 0.57303231479846 15.999 > 5 26 O 0.67206425244257 0.59933448033962 0.57303231479846 15.999 > 5 27 O 0.45293574755743 0.65066551966038 0.67696768520154 15.999 > 6 28 O 0.95293574755743 0.65066551966038 0.67696768520154 15.999 > 6 29 O 0.29706425244257 0.65066551966038 0.82303231479846 15.999 > 7 30 O 0.79706425244257 0.65066551966038 0.82303231479846 15.999 > 7 31 O 0.42206425244257 0.40066551966038 0.92696768520154 15.999 > 8 32 O 0.92206425244257 0.40066551966038 0.92696768520154 15.999 > 8 33 O 0.04706425244257 0.34933448033962 0.67696768520154 15.999 > 1 34 O 0.54706425244257 0.34933448033962 0.67696768520154 15.999 > 1 35 O 0.20293574755743 0.34933448033962 0.82303231479846 15.999 > 2 36 O 0.70293574755743 0.34933448033962 0.82303231479846 15.999 > 2 37 O 0.32793574755743 0.09933448033962 0.92696768520154 15.999 > 3 38 O 0.82793574755743 0.09933448033962 0.92696768520154 15.999 > 3 39 O 0.07793574755743 0.90066551966038 0.57303231479846 15.999 > 4 40 O 0.57793574755743 0.90066551966038 0.57303231479846 15.999 > 4 41 O 0.42206425244257 0.09933448033962 0.57303231479846 15.999 > 5 42 O 0.92206425244257 0.09933448033962 0.57303231479846 15.999 > 5 43 O 0.20293574755743 0.15066551966038 0.67696768520154 15.999 > 6 44 O 0.70293574755743 0.15066551966038 0.67696768520154 15.999 > 6 45 O 0.04706425244257 0.15066551966038 0.82303231479846 15.999 > 7 46 O 0.54706425244257 0.15066551966038 0.82303231479846 15.999 > 7 47 O 0.17206425244257 0.90066551966038 0.92696768520154 15.999 > 8 48 O 0.67206425244257 0.90066551966038 0.92696768520154 15.999 > 8 49 O 0.04706425244257 0.84933448033962 0.17696768520154 15.999 > 1 50 O 0.54706425244257 0.84933448033962 0.17696768520154 15.999 > 1 51 O 0.20293574755743 0.84933448033962 0.32303231479846 15.999 > 2 52 O 0.70293574755743 0.84933448033962 0.32303231479846 15.999 > 2 53 O 0.32793574755743 0.59933448033962 0.42696768520154 15.999 > 3 54 O 0.82793574755743 0.59933448033962 0.42696768520154 15.999 > 3 55 O 0.07793574755743 0.40066551966038 0.07303231479846 15.999 > 4 56 O 0.57793574755743 0.40066551966038 0.07303231479846 15.999 > 4 57 O 0.42206425244257 0.59933448033962 0.07303231479846 15.999 > 5 58 O 0.92206425244257 0.59933448033962 0.07303231479846 15.999 > 5 59 O 0.20293574755743 0.65066551966038 0.17696768520154 15.999 > 6 60 O 0.70293574755743 0.65066551966038 0.17696768520154 15.999 > 6 61 O 0.04706425244257 0.65066551966038 0.32303231479846 15.999 > 7 62 O 0.54706425244257 0.65066551966038 0.32303231479846 15.999 > 7 63 O 0.17206425244257 0.40066551966038 0.42696768520154 15.999 > 8 64 O 0.67206425244257 0.40066551966038 0.42696768520154 15.999 > 8 *65 Na 0.25000000000000 0.68502212733998 0.00000000000000 22.990 > 9 66 Na 0.75000000000000 0.68502212733998 0.00000000000000 22.990 > 9 67 Na 0.37500000000000 0.93502212733998 0.25000000000000 22.990 > 10 68 Na 0.87500000000000 0.93502212733998 0.25000000000000 22.990 > 10 69 Na 0.25000000000000 0.31497787266002 0.00000000000000 22.990 > 11 70 Na 0.75000000000000 0.31497787266002 0.00000000000000 22.990 > 11 71 Na 0.37500000000000 0.56497787266002 0.25000000000000 22.990 > 12 72 Na 0.87500000000000 0.56497787266002 0.25000000000000 22.990 > 12 73 Na 0.25000000000000 0.18502212733998 0.50000000000000 22.990 > 9 74 Na 0.75000000000000 0.18502212733998 0.50000000000000 22.990 > 9 75 Na 0.37500000000000 0.43502212733998 0.75000000000000 22.990 > 10 76 Na 0.87500000000000 0.43502212733998 0.75000000000000 22.990 > 10 77 Na 0.25000000000000 0.81497787266002 0.50000000000000 22.990 > 11 78 Na 0.75000000000000 0.81497787266002 0.50000000000000 22.990 > 11 79 Na 0.37500000000000 0.06497787266002 0.75000000000000 22.990 > 12 80 Na 0.87500000000000 0.06497787266002 0.75000000000000 22.990 > 12 81 Na 0.00000000000000 0.68502212733998 0.50000000000000 22.990 > 9 82 Na 0.50000000000000 0.68502212733998 0.50000000000000 22.990 > 9 83 Na 0.12500000000000 0.93502212733998 0.75000000000000 22.990 > 10 84 Na 0.62500000000000 0.93502212733998 0.75000000000000 22.990 > 10 85 Na 0.00000000000000 0.31497787266002 0.50000000000000 22.990 > 11 86 Na 0.50000000000000 0.31497787266002 0.50000000000000 22.990 > 11 87 Na 0.12500000000000 0.56497787266002 0.75000000000000 22.990 > 12 88 Na 0.62500000000000 0.56497787266002 0.75000000000000 22.990 > 12 89 Na 0.00000000000000 0.18502212733998 0.00000000000000 22.990 > 9 90 Na 0.50000000000000 0.18502212733998 0.00000000000000 22.990 > 9 91 Na 0.12500000000000 0.43502212733998 0.25000000000000 22.990 > 10 92 Na 0.62500000000000 0.43502212733998 0.25000000000000 22.990 > 10 93 Na 0.00000000000000 0.81497787266002 0.00000000000000 22.990 > 11 94 Na 0.50000000000000 0.81497787266002 0.00000000000000 22.990 > 11 95 Na 0.12500000000000 0.06497787266002 0.25000000000000 22.990 > 12 96 Na 0.62500000000000 0.06497787266002 0.25000000000000 22.990 > 12 *97 Se 0.37500000000000 0.25000000000000 0.25000000000000 78.960 > 13 98 Se 0.87500000000000 0.25000000000000 0.25000000000000 78.960 > 13 99 Se 0.25000000000000 0.00000000000000 0.00000000000000 78.960 > 14 100 Se 0.75000000000000 0.00000000000000 0.00000000000000 78.960 > 14 101 Se 0.37500000000000 0.75000000000000 0.75000000000000 78.960 > 13 102 Se 0.87500000000000 0.75000000000000 0.75000000000000 78.960 > 13 103 Se 0.25000000000000 0.50000000000000 0.50000000000000 78.960 > 14 104 Se 0.75000000000000 0.50000000000000 0.50000000000000 78.960 > 14 105 Se 0.12500000000000 0.25000000000000 0.75000000000000 78.960 > 13 106 Se 0.62500000000000 0.25000000000000 0.75000000000000 78.960 > 13 107 Se 0.00000000000000 0.00000000000000 0.50000000000000 78.960 > 14 108 Se 0.50000000000000 0.00000000000000 0.50000000000000 78.960 > 14 109 Se 0.12500000000000 0.75000000000000 0.25000000000000 78.960 > 13 110 Se 0.62500000000000 0.75000000000000 0.25000000000000 78.960 > 13 111 Se 0.00000000000000 0.50000000000000 0.00000000000000 78.960 > 14 112 Se 0.50000000000000 0.50000000000000 0.00000000000000 78.960 > 14 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.5052585 0.0000000 0.0000000 0.0000000 2.5819287 0.0000000 0.0000000 0.0000000 2.4953928 -------------------------- Born effective charges -------------------------- 1 O -1.2353483 0.3280616 -0.2570948 0.3301312 -1.3356379 0.2469485 -0.2973009 0.2732499 -1.3043765 2 O -1.2353483 -0.3280616 -0.2570948 -0.3301312 -1.3356379 -0.2469485 -0.2973009 -0.2732499 -1.3043765 3 O -1.2353483 -0.3280616 0.2570948 -0.3301312 -1.3356379 0.2469485 0.2973009 0.2732499 -1.3043765 4 O -1.2353483 0.3280616 -0.2570948 0.3301312 -1.3356379 0.2469485 -0.2973009 0.2732499 -1.3043765 5 O -1.2353483 0.3280616 0.2570948 0.3301312 -1.3356379 -0.2469485 0.2973009 -0.2732499 -1.3043765 6 O -1.2353483 0.3280616 0.2570948 0.3301312 -1.3356379 -0.2469485 0.2973009 -0.2732499 -1.3043765 7 O -1.2353483 -0.3280616 0.2570948 -0.3301312 -1.3356379 0.2469485 0.2973009 0.2732499 -1.3043765 8 O -1.2353483 -0.3280616 -0.2570948 -0.3301312 -1.3356379 -0.2469485 -0.2973009 -0.2732499 -1.3043765 9 Na 1.1494134 0.0000000 -0.1065414 0.0000000 1.1281553 0.0000000 -0.1562222 0.0000000 1.1174722 10 Na 1.1494134 0.0000000 0.1065414 0.0000000 1.1281553 0.0000000 0.1562222 0.0000000 1.1174722 11 Na 1.1494134 0.0000000 0.1065414 0.0000000 1.1281553 0.0000000 0.1562222 0.0000000 1.1174722 12 Na 1.1494134 0.0000000 -0.1065414 0.0000000 1.1281553 0.0000000 -0.1562222 0.0000000 1.1174722 13 Se 2.6425663 0.0000000 0.0000000 0.0000000 3.0862412 0.0000000 0.0000000 0.0000000 2.9825614 14 Se 2.6425663 0.0000000 0.0000000 0.0000000 3.0862412 0.0000000 0.0000000 0.0000000 2.9825614 ---------------------------------------------------------------------------- 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: 336/336 Permutation basis: 9366/9366 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 972 Number of blocks in projector: 972 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: 202 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 188 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 186 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 132 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 132 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 132 Use standard eigh solver. Tree of FC basis block matrices: - (972, 955), data: False |-- (132, 129), data: True |-- (132, 129), data: True |-- (132, 129), data: True |-- (186, 184), data: True |-- (188, 186), data: True |-- (202, 198), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.007 Solver_block: 100 / 240 - Time: 0.290 Solver_block: 200 / 240 - Time: 0.276 Solver_block: 240 / 240 - Time: 0.130 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.712 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 336/336 Permutation basis: 9366/9366 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 972 Number of blocks in projector: 972 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: 202 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 188 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 186 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 132 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 132 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 132 Use standard eigh solver. Tree of FC basis block matrices: - (972, 955), data: False |-- (132, 129), data: True |-- (132, 129), data: True |-- (132, 129), data: True |-- (186, 184), data: True |-- (188, 186), data: True |-- (202, 198), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) 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 2026-01-07 20:42:02]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:42:02]------------------------- Compiled with OpenMP support (max 32 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ] Spacegroup: Fddd (70) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 0.000000000000000 5.081476240000000 6.312126750000000 b 3.059904734999999 0.000000000000000 6.312126750000000 c 3.059904734999999 5.081476240000000 0.000000000000000 Atomic positions (fractional): 1 O 0.93217366065602 0.42176170974706 0.76649530002323 15.999 2 O 0.76649530002323 0.87956932957370 0.93217366065602 15.999 3 O 0.37043067042630 0.48350469997677 0.82823829025295 15.999 4 O 0.31782633934398 0.82823829025295 0.48350469997677 15.999 5 O 0.82823829025295 0.31782633934398 0.37043067042630 15.999 6 O 0.42176170974705 0.93217366065602 0.87956932957370 15.999 7 O 0.87956932957370 0.76649530002323 0.42176170974706 15.999 8 O 0.48350469997677 0.37043067042630 0.31782633934398 15.999 9 Na 0.18502212733998 0.81497787266002 0.18502212733998 22.990 10 Na 0.43502212733998 0.06497787266002 0.43502212733998 22.990 11 Na 0.81497787266002 0.18502212733998 0.81497787266002 22.990 12 Na 0.06497787266002 0.43502212733998 0.06497787266002 22.990 13 Se 0.75000000000000 0.75000000000000 0.75000000000000 78.960 14 Se 0.50000000000000 0.50000000000000 0.50000000000000 78.960 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.239618939999998 0.000000000000000 0.000000000000000 b 0.000000000000000 10.162952480000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.624253500000000 Atomic positions (fractional): 1 O 0.29706425244257 0.34933448033962 0.17696768520154 15.999 > 1 2 O 0.79706425244257 0.34933448033962 0.17696768520154 15.999 > 1 3 O 0.45293574755743 0.34933448033962 0.32303231479846 15.999 > 3 4 O 0.95293574755743 0.34933448033962 0.32303231479846 15.999 > 3 5 O 0.07793574755743 0.09933448033962 0.42696768520154 15.999 > 5 6 O 0.57793574755743 0.09933448033962 0.42696768520154 15.999 > 5 7 O 0.32793574755743 0.90066551966038 0.07303231479846 15.999 > 7 8 O 0.82793574755743 0.90066551966038 0.07303231479846 15.999 > 7 9 O 0.17206425244257 0.09933448033962 0.07303231479846 15.999 > 9 10 O 0.67206425244257 0.09933448033962 0.07303231479846 15.999 > 9 11 O 0.45293574755743 0.15066551966038 0.17696768520154 15.999 > 11 12 O 0.95293574755743 0.15066551966038 0.17696768520154 15.999 > 11 13 O 0.29706425244257 0.15066551966038 0.32303231479846 15.999 > 13 14 O 0.79706425244257 0.15066551966038 0.32303231479846 15.999 > 13 15 O 0.42206425244257 0.90066551966038 0.42696768520154 15.999 > 15 16 O 0.92206425244257 0.90066551966038 0.42696768520154 15.999 > 15 17 O 0.29706425244257 0.84933448033962 0.67696768520154 15.999 > 1 18 O 0.79706425244257 0.84933448033962 0.67696768520154 15.999 > 1 19 O 0.45293574755743 0.84933448033962 0.82303231479846 15.999 > 3 20 O 0.95293574755743 0.84933448033962 0.82303231479846 15.999 > 3 21 O 0.07793574755743 0.59933448033962 0.92696768520154 15.999 > 5 22 O 0.57793574755743 0.59933448033962 0.92696768520154 15.999 > 5 23 O 0.32793574755743 0.40066551966038 0.57303231479846 15.999 > 7 24 O 0.82793574755743 0.40066551966038 0.57303231479846 15.999 > 7 25 O 0.17206425244257 0.59933448033962 0.57303231479846 15.999 > 9 26 O 0.67206425244257 0.59933448033962 0.57303231479846 15.999 > 9 27 O 0.45293574755743 0.65066551966038 0.67696768520154 15.999 > 11 28 O 0.95293574755743 0.65066551966038 0.67696768520154 15.999 > 11 29 O 0.29706425244257 0.65066551966038 0.82303231479846 15.999 > 13 30 O 0.79706425244257 0.65066551966038 0.82303231479846 15.999 > 13 31 O 0.42206425244257 0.40066551966038 0.92696768520154 15.999 > 15 32 O 0.92206425244257 0.40066551966038 0.92696768520154 15.999 > 15 33 O 0.04706425244257 0.34933448033962 0.67696768520154 15.999 > 1 34 O 0.54706425244257 0.34933448033962 0.67696768520154 15.999 > 1 35 O 0.20293574755743 0.34933448033962 0.82303231479846 15.999 > 3 36 O 0.70293574755743 0.34933448033962 0.82303231479846 15.999 > 3 37 O 0.32793574755743 0.09933448033962 0.92696768520154 15.999 > 5 38 O 0.82793574755743 0.09933448033962 0.92696768520154 15.999 > 5 39 O 0.07793574755743 0.90066551966038 0.57303231479846 15.999 > 7 40 O 0.57793574755743 0.90066551966038 0.57303231479846 15.999 > 7 41 O 0.42206425244257 0.09933448033962 0.57303231479846 15.999 > 9 42 O 0.92206425244257 0.09933448033962 0.57303231479846 15.999 > 9 43 O 0.20293574755743 0.15066551966038 0.67696768520154 15.999 > 11 44 O 0.70293574755743 0.15066551966038 0.67696768520154 15.999 > 11 45 O 0.04706425244257 0.15066551966038 0.82303231479846 15.999 > 13 46 O 0.54706425244257 0.15066551966038 0.82303231479846 15.999 > 13 47 O 0.17206425244257 0.90066551966038 0.92696768520154 15.999 > 15 48 O 0.67206425244257 0.90066551966038 0.92696768520154 15.999 > 15 49 O 0.04706425244257 0.84933448033962 0.17696768520154 15.999 > 1 50 O 0.54706425244257 0.84933448033962 0.17696768520154 15.999 > 1 51 O 0.20293574755743 0.84933448033962 0.32303231479846 15.999 > 3 52 O 0.70293574755743 0.84933448033962 0.32303231479846 15.999 > 3 53 O 0.32793574755743 0.59933448033962 0.42696768520154 15.999 > 5 54 O 0.82793574755743 0.59933448033962 0.42696768520154 15.999 > 5 55 O 0.07793574755743 0.40066551966038 0.07303231479846 15.999 > 7 56 O 0.57793574755743 0.40066551966038 0.07303231479846 15.999 > 7 57 O 0.42206425244257 0.59933448033962 0.07303231479846 15.999 > 9 58 O 0.92206425244257 0.59933448033962 0.07303231479846 15.999 > 9 59 O 0.20293574755743 0.65066551966038 0.17696768520154 15.999 > 11 60 O 0.70293574755743 0.65066551966038 0.17696768520154 15.999 > 11 61 O 0.04706425244257 0.65066551966038 0.32303231479846 15.999 > 13 62 O 0.54706425244257 0.65066551966038 0.32303231479846 15.999 > 13 63 O 0.17206425244257 0.40066551966038 0.42696768520154 15.999 > 15 64 O 0.67206425244257 0.40066551966038 0.42696768520154 15.999 > 15 65 Na 0.25000000000000 0.68502212733998 0.00000000000000 22.990 > 65 66 Na 0.75000000000000 0.68502212733998 0.00000000000000 22.990 > 65 67 Na 0.37500000000000 0.93502212733998 0.25000000000000 22.990 > 67 68 Na 0.87500000000000 0.93502212733998 0.25000000000000 22.990 > 67 69 Na 0.25000000000000 0.31497787266002 0.00000000000000 22.990 > 69 70 Na 0.75000000000000 0.31497787266002 0.00000000000000 22.990 > 69 71 Na 0.37500000000000 0.56497787266002 0.25000000000000 22.990 > 71 72 Na 0.87500000000000 0.56497787266002 0.25000000000000 22.990 > 71 73 Na 0.25000000000000 0.18502212733998 0.50000000000000 22.990 > 65 74 Na 0.75000000000000 0.18502212733998 0.50000000000000 22.990 > 65 75 Na 0.37500000000000 0.43502212733998 0.75000000000000 22.990 > 67 76 Na 0.87500000000000 0.43502212733998 0.75000000000000 22.990 > 67 77 Na 0.25000000000000 0.81497787266002 0.50000000000000 22.990 > 69 78 Na 0.75000000000000 0.81497787266002 0.50000000000000 22.990 > 69 79 Na 0.37500000000000 0.06497787266002 0.75000000000000 22.990 > 71 80 Na 0.87500000000000 0.06497787266002 0.75000000000000 22.990 > 71 81 Na 0.00000000000000 0.68502212733998 0.50000000000000 22.990 > 65 82 Na 0.50000000000000 0.68502212733998 0.50000000000000 22.990 > 65 83 Na 0.12500000000000 0.93502212733998 0.75000000000000 22.990 > 67 84 Na 0.62500000000000 0.93502212733998 0.75000000000000 22.990 > 67 85 Na 0.00000000000000 0.31497787266002 0.50000000000000 22.990 > 69 86 Na 0.50000000000000 0.31497787266002 0.50000000000000 22.990 > 69 87 Na 0.12500000000000 0.56497787266002 0.75000000000000 22.990 > 71 88 Na 0.62500000000000 0.56497787266002 0.75000000000000 22.990 > 71 89 Na 0.00000000000000 0.18502212733998 0.00000000000000 22.990 > 65 90 Na 0.50000000000000 0.18502212733998 0.00000000000000 22.990 > 65 91 Na 0.12500000000000 0.43502212733998 0.25000000000000 22.990 > 67 92 Na 0.62500000000000 0.43502212733998 0.25000000000000 22.990 > 67 93 Na 0.00000000000000 0.81497787266002 0.00000000000000 22.990 > 69 94 Na 0.50000000000000 0.81497787266002 0.00000000000000 22.990 > 69 95 Na 0.12500000000000 0.06497787266002 0.25000000000000 22.990 > 71 96 Na 0.62500000000000 0.06497787266002 0.25000000000000 22.990 > 71 97 Se 0.37500000000000 0.25000000000000 0.25000000000000 78.960 > 97 98 Se 0.87500000000000 0.25000000000000 0.25000000000000 78.960 > 97 99 Se 0.25000000000000 0.00000000000000 0.00000000000000 78.960 > 99 100 Se 0.75000000000000 0.00000000000000 0.00000000000000 78.960 > 99 101 Se 0.37500000000000 0.75000000000000 0.75000000000000 78.960 > 97 102 Se 0.87500000000000 0.75000000000000 0.75000000000000 78.960 > 97 103 Se 0.25000000000000 0.50000000000000 0.50000000000000 78.960 > 99 104 Se 0.75000000000000 0.50000000000000 0.50000000000000 78.960 > 99 105 Se 0.12500000000000 0.25000000000000 0.75000000000000 78.960 > 97 106 Se 0.62500000000000 0.25000000000000 0.75000000000000 78.960 > 97 107 Se 0.00000000000000 0.00000000000000 0.50000000000000 78.960 > 99 108 Se 0.50000000000000 0.00000000000000 0.50000000000000 78.960 > 99 109 Se 0.12500000000000 0.75000000000000 0.25000000000000 78.960 > 97 110 Se 0.62500000000000 0.75000000000000 0.25000000000000 78.960 > 97 111 Se 0.00000000000000 0.50000000000000 0.00000000000000 78.960 > 99 112 Se 0.50000000000000 0.50000000000000 0.00000000000000 78.960 > 99 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.5052585 0.0000000 0.0000000 0.0000000 2.5819287 0.0000000 0.0000000 0.0000000 2.4953928 -------------------------- Born effective charges -------------------------- 1 O -1.2353483 0.3280616 -0.2570948 0.3301312 -1.3356379 0.2469485 -0.2973009 0.2732499 -1.3043765 2 O -1.2353483 -0.3280616 -0.2570948 -0.3301312 -1.3356379 -0.2469485 -0.2973009 -0.2732499 -1.3043765 3 O -1.2353483 -0.3280616 0.2570948 -0.3301312 -1.3356379 0.2469485 0.2973009 0.2732499 -1.3043765 4 O -1.2353483 0.3280616 -0.2570948 0.3301312 -1.3356379 0.2469485 -0.2973009 0.2732499 -1.3043765 5 O -1.2353483 0.3280616 0.2570948 0.3301312 -1.3356379 -0.2469485 0.2973009 -0.2732499 -1.3043765 6 O -1.2353483 0.3280616 0.2570948 0.3301312 -1.3356379 -0.2469485 0.2973009 -0.2732499 -1.3043765 7 O -1.2353483 -0.3280616 0.2570948 -0.3301312 -1.3356379 0.2469485 0.2973009 0.2732499 -1.3043765 8 O -1.2353483 -0.3280616 -0.2570948 -0.3301312 -1.3356379 -0.2469485 -0.2973009 -0.2732499 -1.3043765 9 Na 1.1494134 0.0000000 -0.1065414 0.0000000 1.1281553 0.0000000 -0.1562222 0.0000000 1.1174722 10 Na 1.1494134 0.0000000 0.1065414 0.0000000 1.1281553 0.0000000 0.1562222 0.0000000 1.1174722 11 Na 1.1494134 0.0000000 0.1065414 0.0000000 1.1281553 0.0000000 0.1562222 0.0000000 1.1174722 12 Na 1.1494134 0.0000000 -0.1065414 0.0000000 1.1281553 0.0000000 -0.1562222 0.0000000 1.1174722 13 Se 2.6425663 0.0000000 0.0000000 0.0000000 3.0862412 0.0000000 0.0000000 0.0000000 2.9825614 14 Se 2.6425663 0.0000000 0.0000000 0.0000000 3.0862412 0.0000000 0.0000000 0.0000000 2.9825614 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000002 (xzy) -0.00000002 (xzy) -0.00000002 (xyz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xz) 0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:42:15]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:42:16]------------------------- Compiled with OpenMP support (max 32 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ] Spacegroup: Fddd (70) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 0.000000000000000 5.081476240000000 6.312126750000000 b 3.059904734999999 0.000000000000000 6.312126750000000 c 3.059904734999999 5.081476240000000 0.000000000000000 Atomic positions (fractional): 1 O 0.93217366065602 0.42176170974706 0.76649530002323 15.999 2 O 0.76649530002323 0.87956932957370 0.93217366065602 15.999 3 O 0.37043067042630 0.48350469997677 0.82823829025295 15.999 4 O 0.31782633934398 0.82823829025295 0.48350469997677 15.999 5 O 0.82823829025295 0.31782633934398 0.37043067042630 15.999 6 O 0.42176170974705 0.93217366065602 0.87956932957370 15.999 7 O 0.87956932957370 0.76649530002323 0.42176170974706 15.999 8 O 0.48350469997677 0.37043067042630 0.31782633934398 15.999 9 Na 0.18502212733998 0.81497787266002 0.18502212733998 22.990 10 Na 0.43502212733998 0.06497787266002 0.43502212733998 22.990 11 Na 0.81497787266002 0.18502212733998 0.81497787266002 22.990 12 Na 0.06497787266002 0.43502212733998 0.06497787266002 22.990 13 Se 0.75000000000000 0.75000000000000 0.75000000000000 78.960 14 Se 0.50000000000000 0.50000000000000 0.50000000000000 78.960 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.239618939999998 0.000000000000000 0.000000000000000 b 0.000000000000000 10.162952480000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.624253500000000 Atomic positions (fractional): 1 O 0.29706425244257 0.34933448033962 0.17696768520154 15.999 > 1 2 O 0.79706425244257 0.34933448033962 0.17696768520154 15.999 > 1 3 O 0.45293574755743 0.34933448033962 0.32303231479846 15.999 > 3 4 O 0.95293574755743 0.34933448033962 0.32303231479846 15.999 > 3 5 O 0.07793574755743 0.09933448033962 0.42696768520154 15.999 > 5 6 O 0.57793574755743 0.09933448033962 0.42696768520154 15.999 > 5 7 O 0.32793574755743 0.90066551966038 0.07303231479846 15.999 > 7 8 O 0.82793574755743 0.90066551966038 0.07303231479846 15.999 > 7 9 O 0.17206425244257 0.09933448033962 0.07303231479846 15.999 > 9 10 O 0.67206425244257 0.09933448033962 0.07303231479846 15.999 > 9 11 O 0.45293574755743 0.15066551966038 0.17696768520154 15.999 > 11 12 O 0.95293574755743 0.15066551966038 0.17696768520154 15.999 > 11 13 O 0.29706425244257 0.15066551966038 0.32303231479846 15.999 > 13 14 O 0.79706425244257 0.15066551966038 0.32303231479846 15.999 > 13 15 O 0.42206425244257 0.90066551966038 0.42696768520154 15.999 > 15 16 O 0.92206425244257 0.90066551966038 0.42696768520154 15.999 > 15 17 O 0.29706425244257 0.84933448033962 0.67696768520154 15.999 > 1 18 O 0.79706425244257 0.84933448033962 0.67696768520154 15.999 > 1 19 O 0.45293574755743 0.84933448033962 0.82303231479846 15.999 > 3 20 O 0.95293574755743 0.84933448033962 0.82303231479846 15.999 > 3 21 O 0.07793574755743 0.59933448033962 0.92696768520154 15.999 > 5 22 O 0.57793574755743 0.59933448033962 0.92696768520154 15.999 > 5 23 O 0.32793574755743 0.40066551966038 0.57303231479846 15.999 > 7 24 O 0.82793574755743 0.40066551966038 0.57303231479846 15.999 > 7 25 O 0.17206425244257 0.59933448033962 0.57303231479846 15.999 > 9 26 O 0.67206425244257 0.59933448033962 0.57303231479846 15.999 > 9 27 O 0.45293574755743 0.65066551966038 0.67696768520154 15.999 > 11 28 O 0.95293574755743 0.65066551966038 0.67696768520154 15.999 > 11 29 O 0.29706425244257 0.65066551966038 0.82303231479846 15.999 > 13 30 O 0.79706425244257 0.65066551966038 0.82303231479846 15.999 > 13 31 O 0.42206425244257 0.40066551966038 0.92696768520154 15.999 > 15 32 O 0.92206425244257 0.40066551966038 0.92696768520154 15.999 > 15 33 O 0.04706425244257 0.34933448033962 0.67696768520154 15.999 > 1 34 O 0.54706425244257 0.34933448033962 0.67696768520154 15.999 > 1 35 O 0.20293574755743 0.34933448033962 0.82303231479846 15.999 > 3 36 O 0.70293574755743 0.34933448033962 0.82303231479846 15.999 > 3 37 O 0.32793574755743 0.09933448033962 0.92696768520154 15.999 > 5 38 O 0.82793574755743 0.09933448033962 0.92696768520154 15.999 > 5 39 O 0.07793574755743 0.90066551966038 0.57303231479846 15.999 > 7 40 O 0.57793574755743 0.90066551966038 0.57303231479846 15.999 > 7 41 O 0.42206425244257 0.09933448033962 0.57303231479846 15.999 > 9 42 O 0.92206425244257 0.09933448033962 0.57303231479846 15.999 > 9 43 O 0.20293574755743 0.15066551966038 0.67696768520154 15.999 > 11 44 O 0.70293574755743 0.15066551966038 0.67696768520154 15.999 > 11 45 O 0.04706425244257 0.15066551966038 0.82303231479846 15.999 > 13 46 O 0.54706425244257 0.15066551966038 0.82303231479846 15.999 > 13 47 O 0.17206425244257 0.90066551966038 0.92696768520154 15.999 > 15 48 O 0.67206425244257 0.90066551966038 0.92696768520154 15.999 > 15 49 O 0.04706425244257 0.84933448033962 0.17696768520154 15.999 > 1 50 O 0.54706425244257 0.84933448033962 0.17696768520154 15.999 > 1 51 O 0.20293574755743 0.84933448033962 0.32303231479846 15.999 > 3 52 O 0.70293574755743 0.84933448033962 0.32303231479846 15.999 > 3 53 O 0.32793574755743 0.59933448033962 0.42696768520154 15.999 > 5 54 O 0.82793574755743 0.59933448033962 0.42696768520154 15.999 > 5 55 O 0.07793574755743 0.40066551966038 0.07303231479846 15.999 > 7 56 O 0.57793574755743 0.40066551966038 0.07303231479846 15.999 > 7 57 O 0.42206425244257 0.59933448033962 0.07303231479846 15.999 > 9 58 O 0.92206425244257 0.59933448033962 0.07303231479846 15.999 > 9 59 O 0.20293574755743 0.65066551966038 0.17696768520154 15.999 > 11 60 O 0.70293574755743 0.65066551966038 0.17696768520154 15.999 > 11 61 O 0.04706425244257 0.65066551966038 0.32303231479846 15.999 > 13 62 O 0.54706425244257 0.65066551966038 0.32303231479846 15.999 > 13 63 O 0.17206425244257 0.40066551966038 0.42696768520154 15.999 > 15 64 O 0.67206425244257 0.40066551966038 0.42696768520154 15.999 > 15 65 Na 0.25000000000000 0.68502212733998 0.00000000000000 22.990 > 65 66 Na 0.75000000000000 0.68502212733998 0.00000000000000 22.990 > 65 67 Na 0.37500000000000 0.93502212733998 0.25000000000000 22.990 > 67 68 Na 0.87500000000000 0.93502212733998 0.25000000000000 22.990 > 67 69 Na 0.25000000000000 0.31497787266002 0.00000000000000 22.990 > 69 70 Na 0.75000000000000 0.31497787266002 0.00000000000000 22.990 > 69 71 Na 0.37500000000000 0.56497787266002 0.25000000000000 22.990 > 71 72 Na 0.87500000000000 0.56497787266002 0.25000000000000 22.990 > 71 73 Na 0.25000000000000 0.18502212733998 0.50000000000000 22.990 > 65 74 Na 0.75000000000000 0.18502212733998 0.50000000000000 22.990 > 65 75 Na 0.37500000000000 0.43502212733998 0.75000000000000 22.990 > 67 76 Na 0.87500000000000 0.43502212733998 0.75000000000000 22.990 > 67 77 Na 0.25000000000000 0.81497787266002 0.50000000000000 22.990 > 69 78 Na 0.75000000000000 0.81497787266002 0.50000000000000 22.990 > 69 79 Na 0.37500000000000 0.06497787266002 0.75000000000000 22.990 > 71 80 Na 0.87500000000000 0.06497787266002 0.75000000000000 22.990 > 71 81 Na 0.00000000000000 0.68502212733998 0.50000000000000 22.990 > 65 82 Na 0.50000000000000 0.68502212733998 0.50000000000000 22.990 > 65 83 Na 0.12500000000000 0.93502212733998 0.75000000000000 22.990 > 67 84 Na 0.62500000000000 0.93502212733998 0.75000000000000 22.990 > 67 85 Na 0.00000000000000 0.31497787266002 0.50000000000000 22.990 > 69 86 Na 0.50000000000000 0.31497787266002 0.50000000000000 22.990 > 69 87 Na 0.12500000000000 0.56497787266002 0.75000000000000 22.990 > 71 88 Na 0.62500000000000 0.56497787266002 0.75000000000000 22.990 > 71 89 Na 0.00000000000000 0.18502212733998 0.00000000000000 22.990 > 65 90 Na 0.50000000000000 0.18502212733998 0.00000000000000 22.990 > 65 91 Na 0.12500000000000 0.43502212733998 0.25000000000000 22.990 > 67 92 Na 0.62500000000000 0.43502212733998 0.25000000000000 22.990 > 67 93 Na 0.00000000000000 0.81497787266002 0.00000000000000 22.990 > 69 94 Na 0.50000000000000 0.81497787266002 0.00000000000000 22.990 > 69 95 Na 0.12500000000000 0.06497787266002 0.25000000000000 22.990 > 71 96 Na 0.62500000000000 0.06497787266002 0.25000000000000 22.990 > 71 97 Se 0.37500000000000 0.25000000000000 0.25000000000000 78.960 > 97 98 Se 0.87500000000000 0.25000000000000 0.25000000000000 78.960 > 97 99 Se 0.25000000000000 0.00000000000000 0.00000000000000 78.960 > 99 100 Se 0.75000000000000 0.00000000000000 0.00000000000000 78.960 > 99 101 Se 0.37500000000000 0.75000000000000 0.75000000000000 78.960 > 97 102 Se 0.87500000000000 0.75000000000000 0.75000000000000 78.960 > 97 103 Se 0.25000000000000 0.50000000000000 0.50000000000000 78.960 > 99 104 Se 0.75000000000000 0.50000000000000 0.50000000000000 78.960 > 99 105 Se 0.12500000000000 0.25000000000000 0.75000000000000 78.960 > 97 106 Se 0.62500000000000 0.25000000000000 0.75000000000000 78.960 > 97 107 Se 0.00000000000000 0.00000000000000 0.50000000000000 78.960 > 99 108 Se 0.50000000000000 0.00000000000000 0.50000000000000 78.960 > 99 109 Se 0.12500000000000 0.75000000000000 0.25000000000000 78.960 > 97 110 Se 0.62500000000000 0.75000000000000 0.25000000000000 78.960 > 97 111 Se 0.00000000000000 0.50000000000000 0.00000000000000 78.960 > 99 112 Se 0.50000000000000 0.50000000000000 0.00000000000000 78.960 > 99 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.5052585 0.0000000 0.0000000 0.0000000 2.5819287 0.0000000 0.0000000 0.0000000 2.4953928 -------------------------- Born effective charges -------------------------- 1 O -1.2353483 0.3280616 -0.2570948 0.3301312 -1.3356379 0.2469485 -0.2973009 0.2732499 -1.3043765 2 O -1.2353483 -0.3280616 -0.2570948 -0.3301312 -1.3356379 -0.2469485 -0.2973009 -0.2732499 -1.3043765 3 O -1.2353483 -0.3280616 0.2570948 -0.3301312 -1.3356379 0.2469485 0.2973009 0.2732499 -1.3043765 4 O -1.2353483 0.3280616 -0.2570948 0.3301312 -1.3356379 0.2469485 -0.2973009 0.2732499 -1.3043765 5 O -1.2353483 0.3280616 0.2570948 0.3301312 -1.3356379 -0.2469485 0.2973009 -0.2732499 -1.3043765 6 O -1.2353483 0.3280616 0.2570948 0.3301312 -1.3356379 -0.2469485 0.2973009 -0.2732499 -1.3043765 7 O -1.2353483 -0.3280616 0.2570948 -0.3301312 -1.3356379 0.2469485 0.2973009 0.2732499 -1.3043765 8 O -1.2353483 -0.3280616 -0.2570948 -0.3301312 -1.3356379 -0.2469485 -0.2973009 -0.2732499 -1.3043765 9 Na 1.1494134 0.0000000 -0.1065414 0.0000000 1.1281553 0.0000000 -0.1562222 0.0000000 1.1174722 10 Na 1.1494134 0.0000000 0.1065414 0.0000000 1.1281553 0.0000000 0.1562222 0.0000000 1.1174722 11 Na 1.1494134 0.0000000 0.1065414 0.0000000 1.1281553 0.0000000 0.1562222 0.0000000 1.1174722 12 Na 1.1494134 0.0000000 -0.1065414 0.0000000 1.1281553 0.0000000 -0.1562222 0.0000000 1.1174722 13 Se 2.6425663 0.0000000 0.0000000 0.0000000 3.0862412 0.0000000 0.0000000 0.0000000 2.9825614 14 Se 2.6425663 0.0000000 0.0000000 0.0000000 3.0862412 0.0000000 0.0000000 0.0000000 2.9825614 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000002 (xzy) -0.00000002 (xzy) -0.00000002 (xyz) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- 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 ... [ 10 10 10 ] 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: 0.71, Number of G-points: 307, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/171) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 171 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 2.189 ( 0.000 0.000 -0.000) 0.000 2.313 ( 0.000 0.000 0.000) 0.000 2.325 ( 0.000 0.000 0.000) 0.000 2.597 ( 0.000 0.000 0.000) 0.000 3.234 ( 0.000 0.000 0.000) 0.000 3.594 ( 0.000 0.000 0.000) 0.000 3.829 ( -0.000 0.000 0.000) 0.000 3.964 ( 0.000 0.000 0.000) 0.000 4.451 ( -0.000 0.000 0.000) 0.000 4.572 ( 0.000 0.000 0.000) 0.000 4.578 ( 0.000 0.000 0.000) 0.000 4.599 ( 0.000 0.000 -0.000) 0.000 4.759 ( -0.000 0.000 0.000) 0.000 4.763 ( 0.000 0.000 -0.000) 0.000 5.044 ( 0.000 0.000 0.000) 0.000 5.260 ( 0.000 0.000 0.000) 0.000 5.610 ( 0.000 0.000 0.000) 0.000 6.766 ( 0.000 0.000 0.000) 0.000 7.222 ( -0.000 0.000 0.000) 0.000 7.247 ( 0.000 0.000 0.000) 0.000 7.352 ( 0.000 0.000 0.000) 0.000 9.204 ( 0.000 0.000 0.000) 0.000 9.660 ( 0.000 0.000 0.000) 0.000 10.197 ( 0.000 0.000 0.000) 0.000 11.294 ( -0.000 0.000 0.000) 0.000 11.386 ( 0.000 0.000 0.000) 0.000 11.522 ( 0.000 0.000 -0.000) 0.000 11.743 ( 0.000 0.000 0.000) 0.000 12.213 ( 0.000 0.000 0.000) 0.000 12.587 ( 0.000 0.000 0.000) 0.000 13.003 ( 0.000 0.000 0.000) 0.000 24.393 ( -0.000 0.000 0.000) 0.000 24.449 ( 0.000 0.000 0.000) 0.000 24.792 ( 0.000 0.000 0.000) 0.000 24.911 ( 0.000 0.000 0.000) 0.000 25.207 ( 0.000 0.000 0.000) 0.000 25.322 ( 0.000 0.000 0.000) 0.000 25.612 ( 0.000 0.000 0.000) 0.000 25.783 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/171) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.525 ( -18.616 13.040 9.617) 24.680 0.566 ( -15.830 8.168 26.796) 32.176 0.939 ( -39.154 17.468 11.996) 44.520 2.251 ( -5.729 -0.196 -3.931) 6.951 2.382 ( -8.565 8.528 -4.445) 12.878 2.389 ( -4.115 6.173 0.526) 7.438 2.746 ( -7.870 0.875 14.000) 16.084 3.236 ( 3.370 1.392 5.483) 6.584 3.539 ( 6.872 0.490 1.265) 7.004 3.786 ( 0.487 -1.540 -7.733) 7.900 4.002 ( 8.034 -2.515 6.720) 10.771 4.385 ( 3.037 -2.785 -1.046) 4.251 4.445 ( 9.456 -9.493 -1.799) 13.519 4.578 ( 3.377 5.290 1.139) 6.378 4.692 ( -0.727 6.988 -0.901) 7.083 4.967 ( -2.686 4.639 -2.297) 5.832 5.023 ( -7.222 1.257 3.846) 8.278 5.274 ( -3.518 3.052 -3.643) 5.913 5.550 ( -4.713 -10.624 -7.373) 13.764 5.910 ( -1.885 19.424 -27.542) 33.755 7.007 ( -13.545 -0.967 -24.516) 28.026 7.192 ( 1.210 0.279 -7.185) 7.292 7.318 ( 1.492 -0.434 -2.463) 2.913 7.550 ( 10.148 -14.538 20.164) 26.849 9.204 ( -0.186 0.245 -0.603) 0.676 9.637 ( 2.338 -0.330 -0.309) 2.381 10.210 ( -0.859 -0.413 2.165) 2.365 11.259 ( 1.739 -2.996 -1.266) 3.688 11.465 ( -3.922 -1.125 -6.947) 8.056 11.764 ( -2.211 1.582 -1.603) 3.156 11.841 ( -7.426 -29.214 23.466) 38.200 12.571 ( 4.880 3.970 1.838) 6.554 12.719 ( 17.486 32.315 4.126) 36.973 13.020 ( -0.517 1.647 0.907) 1.950 24.397 ( -0.373 -0.093 0.199) 0.433 24.441 ( 0.868 0.008 -0.030) 0.869 24.849 ( 1.263 -4.481 8.357) 9.566 24.935 ( 0.834 3.735 2.811) 4.749 25.286 ( -1.875 -3.880 0.283) 4.318 25.604 ( 1.882 2.222 -0.922) 3.054 25.753 ( 0.915 -5.304 1.430) 5.569 26.641 ( 1.195 10.722 -7.390) 13.077 ======================= Grid point 2 (3/171) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.005 ( -15.590 11.894 9.573) 21.821 1.090 ( -13.614 8.373 23.681) 28.570 1.772 ( -32.443 13.029 8.954) 36.090 2.315 ( -7.522 1.663 -6.692) 10.204 2.554 ( -5.916 6.453 4.431) 9.812 2.659 ( -13.128 11.995 -3.876) 18.200 2.969 ( -3.181 -0.351 8.484) 9.068 3.213 ( 6.527 1.981 0.803) 6.868 3.491 ( 0.827 -0.697 10.906) 10.960 3.691 ( 1.013 -1.997 -2.008) 3.008 3.921 ( -0.532 -10.484 7.002) 12.618 4.176 ( 10.340 -6.549 -0.491) 12.249 4.319 ( 1.488 -1.565 -4.059) 4.597 4.595 ( 4.498 3.649 8.196) 10.036 4.730 ( 1.045 3.847 -3.241) 5.137 4.951 ( 13.633 15.009 -0.030) 20.276 5.184 ( -10.939 -3.842 -0.596) 11.609 5.367 ( -5.992 2.723 -1.688) 6.795 5.511 ( -9.887 -10.278 -4.608) 14.987 5.880 ( 4.389 6.802 -7.934) 11.335 7.004 ( -0.928 -1.240 -12.276) 12.373 7.078 ( 0.105 2.053 -11.645) 11.825 7.290 ( -0.185 -0.712 -1.677) 1.831 7.340 ( 11.019 -6.470 -1.572) 12.874 9.207 ( -0.318 0.663 -0.752) 1.052 9.578 ( 3.672 -0.562 -0.635) 3.769 10.253 ( -1.782 -0.167 3.865) 4.260 11.168 ( 2.746 -4.581 -2.244) 5.794 11.460 ( -1.488 -1.016 -2.872) 3.390 11.809 ( -2.770 2.821 -3.589) 5.340 11.867 ( -4.435 -14.837 13.036) 20.242 12.540 ( 4.697 2.500 2.317) 5.804 12.796 ( 5.102 14.395 2.833) 15.533 13.062 ( -0.692 2.606 1.627) 3.149 24.406 ( -0.530 -0.212 0.231) 0.616 24.426 ( 0.833 0.209 0.237) 0.891 24.846 ( 0.001 -2.614 1.984) 3.282 24.996 ( -1.418 3.988 1.227) 4.406 25.273 ( 1.452 -0.444 0.677) 1.662 25.581 ( 2.962 3.345 -1.754) 4.800 25.684 ( 0.524 -8.717 2.705) 9.143 26.674 ( -0.095 6.331 -3.671) 7.319 ======================= Grid point 3 (4/171) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( -12.182 10.339 8.813) 18.247 1.540 ( -10.283 7.539 20.147) 23.842 2.320 ( -16.174 6.434 -0.778) 17.424 2.436 ( -9.665 0.530 -0.048) 9.679 2.738 ( -4.143 6.730 -1.001) 7.966 2.851 ( -0.332 -2.098 0.417) 2.165 2.983 ( 1.915 4.836 0.757) 5.256 3.141 ( -0.934 4.775 -5.896) 7.645 3.524 ( -3.093 -6.039 2.813) 7.346 3.817 ( -1.755 -3.559 11.782) 12.432 3.888 ( 1.770 -1.884 6.071) 6.598 4.073 ( -2.402 0.603 7.276) 7.686 4.250 ( 0.021 -1.347 -2.663) 2.984 4.630 ( 3.054 1.677 12.087) 12.579 4.725 ( 1.244 4.476 -1.550) 4.897 4.853 ( 9.016 8.347 -2.679) 12.575 5.307 ( -8.392 -2.293 -1.474) 8.823 5.455 ( -5.347 -2.077 -2.591) 6.294 5.553 ( -3.605 -2.262 -1.931) 4.674 5.792 ( 5.321 0.526 -0.765) 5.402 6.807 ( 5.646 -0.386 -15.919) 16.895 7.037 ( 13.160 -3.488 -7.743) 15.662 7.089 ( -3.715 1.862 -6.345) 7.585 7.295 ( -1.550 -0.418 -1.560) 2.238 9.216 ( -0.320 0.969 -0.453) 1.116 9.504 ( 3.649 -0.690 -0.910) 3.824 10.323 ( -2.350 0.523 4.506) 5.109 11.055 ( 2.867 -4.495 -2.717) 5.984 11.448 ( -0.402 -1.053 -1.544) 1.911 11.847 ( -2.028 3.795 -4.966) 6.571 11.894 ( -2.967 -10.334 9.169) 14.130 12.506 ( 3.580 1.027 2.040) 4.246 12.870 ( 1.717 7.810 2.004) 8.244 13.113 ( -0.543 2.480 1.750) 3.083 24.407 ( -0.100 -0.205 -0.039) 0.232 24.430 ( -0.153 0.304 0.673) 0.754 24.828 ( 1.202 -0.923 0.578) 1.622 25.062 ( -2.831 2.090 -2.637) 4.398 25.248 ( 3.154 1.461 2.614) 4.349 25.551 ( 2.178 2.302 -1.692) 3.592 25.618 ( 0.092 -8.048 2.854) 8.539 26.704 ( -0.102 4.105 -2.244) 4.680 ======================= Grid point 4 (5/171) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.736 ( -8.473 7.794 5.432) 12.730 1.883 ( -6.185 4.679 17.356) 19.010 2.449 ( 3.556 -1.663 -5.644) 6.875 2.504 ( -4.400 0.747 -7.234) 8.500 2.776 ( -3.385 -1.017 3.968) 5.314 2.838 ( -1.003 0.501 -2.473) 2.715 3.052 ( 1.835 5.958 8.553) 10.583 3.163 ( -4.669 -1.310 -11.294) 12.291 3.597 ( -4.117 -0.070 1.996) 4.576 3.711 ( 6.190 -2.126 0.440) 6.560 3.907 ( 2.789 -1.250 1.925) 3.612 4.243 ( -1.048 0.511 4.606) 4.751 4.327 ( -10.448 -0.348 9.276) 13.976 4.659 ( 3.999 -0.153 2.557) 4.749 4.850 ( -2.720 4.219 3.869) 6.338 4.865 ( -6.574 9.539 8.171) 14.176 5.314 ( 4.144 -2.426 -4.886) 6.851 5.438 ( 1.809 -1.158 -2.393) 3.216 5.566 ( -4.173 -1.953 -1.994) 5.020 5.719 ( 2.345 -3.259 -0.506) 4.047 6.624 ( 3.597 0.555 -8.788) 9.512 6.743 ( 9.008 -1.815 -10.592) 14.023 7.120 ( -1.288 1.471 -1.312) 2.354 7.305 ( -1.305 -0.301 -1.177) 1.783 9.228 ( -0.259 0.807 -0.044) 0.849 9.439 ( 2.353 -0.591 -0.816) 2.560 10.400 ( -1.920 0.840 3.410) 4.002 10.955 ( 2.055 -2.968 -2.235) 4.246 11.431 ( 0.057 -0.730 -0.768) 1.061 11.871 ( -0.963 4.110 -4.863) 6.440 11.904 ( -1.475 -7.243 6.244) 9.676 12.480 ( 1.909 0.253 1.204) 2.271 12.920 ( 0.555 3.538 1.036) 3.728 13.151 ( -0.271 1.452 1.123) 1.855 24.412 ( -0.724 -0.054 0.044) 0.727 24.436 ( 0.329 0.122 0.384) 0.521 24.803 ( 1.459 0.023 0.098) 1.462 25.071 ( -0.770 -0.392 -3.263) 3.376 25.262 ( 0.593 2.532 2.724) 3.766 25.533 ( 1.289 1.850 -1.014) 2.473 25.568 ( -0.005 -5.706 1.789) 5.979 26.721 ( 0.049 2.040 -1.150) 2.343 ======================= Grid point 5 (6/171) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.877 ( -0.000 0.000 0.000) 0.000 2.090 ( -0.000 0.000 0.000) 0.000 2.274 ( -0.000 0.000 -0.000) 0.000 2.533 ( -0.000 0.000 0.000) 0.000 2.807 ( -0.000 0.000 0.000) 0.000 2.875 ( 0.000 -0.000 0.000) 0.000 3.118 ( -0.000 -0.000 -0.000) 0.000 3.123 ( 0.000 0.000 0.000) 0.000 3.628 ( -0.000 0.000 0.000) 0.000 3.644 ( -0.000 -0.000 0.000) 0.000 3.888 ( -0.000 0.000 0.000) 0.000 4.254 ( -0.000 0.000 0.000) 0.000 4.502 ( -0.000 -0.000 0.000) 0.000 4.617 ( 0.000 0.000 -0.000) 0.000 4.973 ( -0.000 -0.000 0.000) 0.000 5.026 ( 0.000 -0.000 0.000) 0.000 5.250 ( -0.000 0.000 -0.000) 0.000 5.329 ( -0.000 0.000 0.000) 0.000 5.598 ( -0.000 0.000 0.000) 0.000 5.663 ( -0.000 0.000 0.000) 0.000 6.583 ( -0.000 0.000 0.000) 0.000 6.590 ( 0.000 -0.000 -0.000) 0.000 7.133 ( -0.000 0.000 -0.000) 0.000 7.310 ( -0.000 0.000 -0.000) 0.000 9.235 ( -0.000 0.000 0.000) 0.000 9.412 ( -0.000 0.000 0.000) 0.000 10.438 ( -0.000 0.000 0.000) 0.000 10.911 ( -0.000 0.000 0.000) 0.000 11.424 ( -0.000 0.000 0.000) 0.000 11.881 ( -0.000 -0.000 0.000) 0.000 11.903 ( -0.000 0.000 -0.000) 0.000 12.470 ( -0.000 0.000 0.000) 0.000 12.937 ( -0.000 0.000 0.000) 0.000 13.165 ( -0.000 0.000 0.000) 0.000 24.425 ( -0.000 0.000 0.000) 0.000 24.428 ( -0.000 0.000 0.000) 0.000 24.790 ( -0.000 0.000 0.000) 0.000 25.058 ( -0.000 0.000 0.000) 0.000 25.286 ( -0.000 0.000 0.000) 0.000 25.528 ( 0.000 0.000 -0.000) 0.000 25.544 ( -0.000 -0.000 0.000) 0.000 26.726 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 12 (7/171) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.291 ( -0.000 0.000 18.495) 18.495 0.399 ( -0.000 0.000 24.477) 24.477 0.895 ( -0.000 0.000 55.680) 55.680 2.169 ( 0.000 -0.000 -2.571) 2.571 2.169 ( 0.000 -0.000 -11.832) 11.832 2.390 ( -0.000 0.000 8.049) 8.049 2.806 ( -0.000 0.000 19.039) 19.039 3.339 ( -0.000 0.000 12.901) 12.901 3.592 ( -0.000 0.000 0.609) 0.609 3.701 ( 0.000 -0.000 -10.744) 10.744 4.089 ( -0.000 0.000 10.177) 10.177 4.454 ( 0.000 -0.000 -2.469) 2.469 4.573 ( 0.000 -0.000 -0.580) 0.580 4.573 ( -0.000 0.000 0.079) 0.079 4.607 ( -0.000 0.000 1.037) 1.037 4.737 ( 0.000 -0.000 -2.787) 2.787 4.746 ( 0.000 -0.000 -1.544) 1.544 5.105 ( -0.000 0.000 7.197) 7.197 5.347 ( 0.000 -0.000 -0.735) 0.735 5.610 ( 0.000 -0.000 -0.071) 0.071 6.761 ( 0.000 -0.000 -0.835) 0.835 7.138 ( 0.000 -0.000 -10.489) 10.489 7.280 ( 0.000 -0.000 -8.898) 8.898 7.873 ( 0.000 -0.000 -10.469) 10.469 9.228 ( -0.000 0.000 2.819) 2.819 9.655 ( 0.000 -0.000 -0.651) 0.651 10.236 ( -0.000 0.000 4.735) 4.735 11.274 ( 0.000 -0.000 -2.611) 2.611 11.368 ( 0.000 -0.000 -2.117) 2.117 11.720 ( 0.000 -0.000 -2.790) 2.790 12.259 ( -0.000 0.000 5.555) 5.555 12.597 ( -0.000 0.000 1.273) 1.273 12.827 ( 0.000 -0.000 -0.451) 0.451 13.009 ( -0.000 0.000 0.571) 0.571 24.396 ( -0.000 0.000 0.362) 0.362 24.449 ( -0.000 0.000 0.082) 0.082 24.922 ( -0.000 0.000 1.386) 1.386 25.205 ( 0.000 -0.000 -0.266) 0.266 25.325 ( -0.000 0.000 0.396) 0.396 25.600 ( 0.000 -0.000 -1.546) 1.546 25.798 ( -0.000 0.000 1.930) 1.930 26.355 ( 0.000 -0.000 -1.668) 1.668 ======================= Grid point 13 (8/171) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.681 ( -13.705 14.206 12.499) 23.364 0.949 ( -25.444 8.790 16.956) 31.815 1.432 ( -10.958 6.705 44.889) 46.690 2.139 ( -3.877 2.433 -8.932) 10.037 2.274 ( -10.513 9.749 -5.339) 15.299 2.510 ( -4.080 1.867 10.640) 11.548 2.992 ( -2.722 1.269 13.029) 13.370 3.385 ( 7.527 -0.896 11.105) 13.446 3.591 ( 1.060 -2.238 3.347) 4.164 3.671 ( -1.311 3.619 0.187) 3.853 4.122 ( 4.044 -8.435 7.437) 11.951 4.348 ( 2.831 -3.322 -3.438) 5.556 4.415 ( 10.398 -7.190 -1.561) 12.738 4.583 ( 3.800 13.779 -1.234) 14.347 4.674 ( -2.216 4.345 -1.021) 4.983 4.929 ( -7.152 3.521 -2.520) 8.360 5.069 ( -27.178 -3.560 -8.745) 28.772 5.138 ( 3.358 5.456 1.249) 6.527 5.384 ( -2.031 2.776 -4.698) 5.822 5.702 ( -7.070 6.044 -1.992) 9.513 6.813 ( -6.561 0.943 -6.389) 9.206 7.000 ( 4.027 0.452 -16.203) 16.702 7.219 ( -2.610 -0.258 -10.288) 10.617 7.609 ( 13.374 -5.593 -7.725) 16.426 9.223 ( 2.712 0.816 2.931) 4.076 9.626 ( 2.365 -0.271 -1.029) 2.593 10.280 ( -0.704 -0.984 6.421) 6.534 11.219 ( 1.756 -2.625 -3.693) 4.859 11.390 ( -3.937 -0.440 -3.551) 5.320 11.716 ( -1.749 1.608 -4.247) 4.866 12.147 ( -0.210 -23.135 14.555) 27.333 12.601 ( 0.705 -1.656 1.747) 2.508 12.795 ( 12.496 20.254 3.836) 24.106 13.038 ( -0.751 2.396 1.010) 2.707 24.402 ( -0.373 -0.089 0.514) 0.641 24.442 ( 0.891 0.016 0.146) 0.903 24.923 ( 2.066 -0.940 2.335) 3.257 25.039 ( 7.894 -2.060 6.509) 10.437 25.295 ( -1.356 -3.790 0.803) 4.105 25.577 ( 1.715 1.770 -2.429) 3.460 25.793 ( 1.088 -4.378 3.523) 5.724 26.507 ( -5.772 9.462 -7.830) 13.571 ======================= Grid point 14 (9/171) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( -13.755 13.620 9.471) 21.550 1.500 ( -14.545 5.509 21.119) 26.228 2.024 ( -14.527 8.955 22.242) 28.034 2.214 ( -10.153 3.710 -3.745) 11.440 2.555 ( -11.011 14.059 -3.457) 18.189 2.708 ( -7.162 2.994 8.028) 11.167 3.015 ( 6.111 0.568 -1.096) 6.234 3.251 ( 10.008 -3.033 0.354) 10.463 3.589 ( -0.264 -5.110 6.714) 8.441 3.890 ( -6.287 4.220 22.920) 24.139 4.016 ( 2.032 -10.730 4.680) 11.882 4.173 ( 7.277 -4.911 0.705) 8.808 4.262 ( 1.774 -2.611 -3.192) 4.489 4.659 ( 2.504 11.000 -3.519) 11.818 4.722 ( 0.562 2.748 4.850) 5.603 4.944 ( 12.078 9.376 -0.873) 15.315 5.167 ( -10.297 -6.342 -1.832) 12.231 5.306 ( -13.640 -2.776 -4.604) 14.662 5.451 ( -4.961 3.429 -1.546) 6.226 5.807 ( -1.070 2.776 -1.407) 3.291 6.765 ( 4.247 -0.542 -16.519) 17.065 6.875 ( -4.296 2.581 -14.396) 15.243 7.193 ( -4.089 -0.454 -10.218) 11.015 7.280 ( 13.261 -2.573 -5.511) 14.590 9.216 ( 1.730 1.364 2.026) 2.993 9.562 ( 3.700 -0.434 -1.415) 3.985 10.342 ( -1.264 -0.778 7.125) 7.278 11.117 ( 2.713 -3.813 -4.183) 6.277 11.414 ( -2.642 -0.638 -2.716) 3.843 11.732 ( -2.076 2.935 -5.848) 6.865 12.082 ( -1.153 -15.935 13.044) 20.625 12.571 ( 1.862 -2.188 1.378) 3.186 12.848 ( 5.353 12.744 3.359) 14.225 13.089 ( -0.338 3.785 1.421) 4.057 24.410 ( -0.171 -0.391 0.343) 0.547 24.432 ( 0.496 0.440 0.482) 0.819 24.880 ( 2.454 -2.197 2.249) 3.989 25.017 ( 1.461 2.380 1.207) 3.042 25.288 ( 0.823 -0.150 1.196) 1.459 25.544 ( 2.196 2.580 -2.796) 4.393 25.742 ( 1.133 -8.153 4.419) 9.342 26.600 ( -3.134 6.371 -5.438) 8.944 ======================= Grid point 15 (10/171) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.531 ( -10.622 11.724 7.580) 17.543 1.881 ( -7.256 4.777 17.855) 19.856 2.291 ( -8.962 4.204 -1.666) 10.038 2.521 ( -6.228 1.715 10.993) 12.751 2.685 ( 2.998 0.124 -5.503) 6.267 2.852 ( -4.649 5.258 1.278) 7.134 3.002 ( 0.469 4.734 -5.500) 7.272 3.106 ( 0.035 1.190 6.869) 6.972 3.596 ( 0.157 -3.948 6.942) 7.988 3.862 ( 8.361 -4.135 -0.459) 9.339 4.018 ( 3.284 -4.226 5.038) 7.350 4.219 ( -4.119 -2.859 -0.505) 5.039 4.307 ( -4.420 3.078 18.327) 19.102 4.718 ( -2.271 8.509 2.566) 9.173 4.790 ( 8.138 4.038 -4.330) 10.064 4.810 ( -0.877 2.324 8.400) 8.760 5.279 ( -7.758 -2.548 -1.765) 8.354 5.407 ( -5.650 -2.632 -3.304) 7.055 5.509 ( -0.152 2.544 -3.182) 4.076 5.778 ( 3.008 -1.526 -2.697) 4.318 6.595 ( 2.011 0.255 -8.891) 9.119 6.749 ( 4.018 0.106 -20.108) 20.505 7.112 ( 3.194 1.331 1.566) 3.798 7.203 ( -5.487 0.168 -9.628) 11.083 9.224 ( 0.742 1.271 1.523) 2.118 9.484 ( 3.531 -0.434 -1.598) 3.900 10.413 ( -1.204 -0.461 6.565) 6.691 11.002 ( 2.644 -3.364 -3.918) 5.802 11.421 ( -1.063 -0.490 -1.500) 1.903 11.747 ( -1.599 4.337 -6.934) 8.333 12.058 ( -1.056 -12.142 10.454) 16.057 12.525 ( 1.319 -2.895 0.237) 3.190 12.906 ( 2.693 7.397 2.330) 8.209 13.139 ( 0.314 3.607 1.334) 3.859 24.408 ( -0.101 -0.336 0.165) 0.388 24.439 ( 0.090 0.517 0.544) 0.756 24.841 ( 2.246 -0.743 1.139) 2.626 25.019 ( 0.092 1.385 -2.640) 2.983 25.291 ( 1.919 2.521 2.807) 4.232 25.518 ( 2.031 3.457 -2.460) 4.704 25.675 ( 0.237 -9.941 4.118) 10.763 26.657 ( -2.083 4.159 -3.580) 5.869 ======================= Grid point 16 (11/171) ======================= q-point: ( 0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.810 ( -5.199 7.367 4.405) 10.035 2.100 ( -0.345 2.448 5.740) 6.250 2.344 ( 7.544 -0.016 -4.556) 8.813 2.485 ( -6.375 -1.192 4.329) 7.797 2.803 ( -5.703 2.147 3.641) 7.098 2.846 ( 5.564 0.052 -4.304) 7.035 3.004 ( -6.116 -1.141 -0.818) 6.275 3.279 ( 2.353 5.221 15.231) 16.272 3.626 ( -2.411 -2.338 2.383) 4.118 3.703 ( 6.087 -1.746 -1.393) 6.484 3.921 ( 6.182 0.462 0.056) 6.199 4.254 ( -0.467 -0.454 0.112) 0.661 4.485 ( -3.093 1.613 6.383) 7.274 4.643 ( 4.878 -0.053 -3.777) 6.169 4.899 ( -4.518 4.243 4.144) 7.456 5.012 ( -4.086 4.980 4.678) 7.961 5.255 ( 0.295 -3.385 -0.875) 3.508 5.380 ( 4.217 -2.870 -5.279) 7.341 5.527 ( -6.535 -1.599 -2.744) 7.266 5.679 ( 4.088 2.700 -3.159) 5.829 6.563 ( 1.499 0.174 -9.663) 9.780 6.581 ( -2.377 -0.201 2.715) 3.614 7.123 ( -0.052 1.761 0.657) 1.880 7.228 ( -5.457 0.540 -8.076) 9.762 9.237 ( 0.221 0.550 1.107) 1.256 9.424 ( 1.891 -0.035 -1.106) 2.191 10.460 ( 0.181 -1.041 3.905) 4.045 10.919 ( 1.239 -1.133 -2.186) 2.756 11.420 ( -0.153 0.080 -0.518) 0.546 11.761 ( -0.907 5.735 -7.008) 9.101 12.037 ( -0.363 -9.686 8.475) 12.876 12.480 ( -0.089 -3.218 -1.096) 3.401 12.939 ( 1.695 3.546 1.175) 4.103 13.166 ( 0.976 2.324 0.703) 2.616 24.414 ( -0.656 -0.085 0.108) 0.671 24.440 ( 0.715 0.320 0.188) 0.806 24.811 ( 2.030 0.114 1.009) 2.270 25.009 ( -1.777 0.259 -4.186) 4.555 25.316 ( 2.676 4.009 3.799) 6.137 25.506 ( 3.110 6.209 -2.083) 7.250 25.607 ( -1.885 -11.747 2.900) 12.246 26.695 ( -1.660 1.974 -2.051) 3.296 ======================= Grid point 17 (12/171) ======================= q-point: (-0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.876 ( 5.364 -2.606 -1.505) 6.151 1.913 ( 7.796 -2.710 -11.239) 13.944 2.412 ( -3.265 4.775 7.315) 9.325 2.603 ( -2.569 -0.554 8.509) 8.906 2.725 ( 1.756 0.578 -8.707) 8.901 2.905 ( -0.464 0.472 2.683) 2.764 3.047 ( -1.549 -5.472 3.346) 6.599 3.351 ( 9.388 5.907 15.126) 18.757 3.622 ( 1.175 0.743 -2.877) 3.196 3.647 ( -1.943 -3.877 2.580) 5.045 3.867 ( 0.999 1.511 -2.207) 2.854 4.237 ( 1.981 0.443 -2.048) 2.883 4.424 ( 10.672 2.383 -7.926) 13.505 4.599 ( -1.569 -0.854 -3.458) 3.892 4.919 ( 5.892 -2.154 -4.798) 7.898 4.976 ( 3.559 -4.833 -6.695) 8.992 5.232 ( -5.680 -1.777 2.469) 6.443 5.386 ( -6.437 -1.263 2.486) 7.015 5.599 ( -2.443 0.390 0.139) 2.478 5.663 ( 4.129 8.508 -0.045) 9.457 6.597 ( -7.196 0.553 5.041) 8.803 6.681 ( -4.992 -0.368 7.084) 8.674 7.146 ( -0.178 1.022 1.443) 1.777 7.255 ( -3.939 0.738 -6.605) 7.725 9.241 ( 0.245 -0.356 0.626) 0.761 9.412 ( -0.604 0.646 -0.021) 0.884 10.437 ( 2.383 -2.143 -0.081) 3.206 10.917 ( -0.998 2.036 0.562) 2.336 11.424 ( -0.037 0.917 0.095) 0.923 11.777 ( 0.136 6.752 -6.240) 9.194 12.012 ( 0.674 -7.447 6.838) 10.133 12.451 ( -1.972 -3.317 -2.136) 4.411 12.939 ( 1.173 0.223 0.208) 1.212 13.163 ( 1.366 0.667 -0.226) 1.537 24.425 ( -0.195 0.111 -0.058) 0.232 24.428 ( 0.683 0.123 -0.051) 0.696 24.797 ( 0.509 -0.077 0.863) 1.005 25.031 ( -3.784 0.815 -2.824) 4.791 25.317 ( 5.196 2.347 3.187) 6.532 25.506 ( 4.649 9.994 -1.778) 11.165 25.563 ( -5.413 -12.257 1.442) 13.476 26.720 ( -1.609 -0.187 -0.720) 1.773 ======================= Grid point 18 (13/171) ======================= q-point: (-0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.565 ( 11.366 -6.107 -13.058) 18.357 1.728 ( 9.164 -8.626 -3.097) 12.961 2.508 ( 0.691 1.564 2.815) 3.294 2.595 ( 9.125 -0.242 -0.556) 9.145 2.743 ( -3.198 1.416 3.034) 4.630 2.910 ( -1.613 -0.095 0.870) 1.835 3.003 ( 5.125 -6.279 8.012) 11.396 3.348 ( 8.442 1.391 8.567) 12.108 3.529 ( 6.041 1.033 -7.785) 9.908 3.700 ( -6.112 -0.344 0.265) 6.127 3.854 ( 4.218 2.136 -4.497) 6.525 4.106 ( 3.765 -4.123 -4.672) 7.280 4.269 ( 5.353 3.777 -3.747) 7.547 4.530 ( 1.034 -1.615 -10.920) 11.087 4.763 ( 1.602 -4.475 -1.719) 5.054 4.853 ( -2.311 -7.236 0.355) 7.604 5.379 ( -1.789 -0.812 2.862) 3.471 5.469 ( -3.674 3.412 1.657) 5.280 5.588 ( 5.671 4.187 0.696) 7.084 5.702 ( -3.365 1.717 -1.710) 4.147 6.824 ( -7.164 0.508 14.418) 16.108 6.843 ( -10.407 0.872 2.267) 10.687 7.182 ( 0.077 1.507 5.321) 5.531 7.263 ( -2.410 0.624 -5.996) 6.492 9.236 ( 0.416 -0.491 0.708) 0.957 9.449 ( -2.604 0.861 0.449) 2.779 10.357 ( 3.294 -2.012 -1.949) 4.324 10.986 ( -2.294 4.154 1.510) 4.980 11.440 ( -0.199 1.545 0.326) 1.591 11.786 ( 1.889 7.301 -5.292) 9.213 11.974 ( 1.987 -5.349 4.834) 7.479 12.448 ( -4.037 -3.669 -2.351) 5.940 12.908 ( 0.644 -3.263 -0.453) 3.356 13.134 ( 1.419 -0.848 -0.901) 1.883 24.413 ( 0.651 0.013 0.075) 0.655 24.429 ( 0.136 0.112 -0.409) 0.445 24.805 ( -0.792 0.036 0.301) 0.848 25.100 ( -4.262 0.944 0.385) 4.382 25.242 ( 5.608 -1.102 0.188) 5.718 25.527 ( 4.097 11.061 -1.066) 11.843 25.563 ( -5.831 -8.668 0.552) 10.461 26.732 ( -1.535 -2.279 0.255) 2.759 ======================= Grid point 19 (14/171) ======================= q-point: (-0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( 14.149 -7.716 -11.087) 19.561 1.402 ( 14.218 -13.167 -2.318) 19.516 2.309 ( 23.974 -4.233 -0.965) 24.364 2.482 ( 5.165 -1.435 3.210) 6.248 2.716 ( 4.779 -7.885 -2.634) 9.589 2.875 ( 7.612 2.415 4.383) 9.109 2.994 ( -0.715 -5.040 -1.205) 5.231 3.225 ( 0.191 -5.565 5.012) 7.491 3.450 ( 7.338 1.563 -7.506) 10.613 3.644 ( 2.561 2.435 -3.659) 5.087 3.843 ( -1.895 3.879 -1.759) 4.662 4.017 ( 2.312 4.089 -1.327) 4.881 4.311 ( -6.182 -0.204 5.206) 8.085 4.447 ( -3.567 -1.710 -9.863) 10.627 4.751 ( -1.532 -1.205 1.095) 2.236 4.878 ( -10.321 -11.116 0.701) 15.185 5.323 ( 7.866 1.437 0.505) 8.012 5.487 ( 5.715 -0.404 1.291) 5.873 5.562 ( 5.549 8.420 -0.367) 10.091 5.818 ( -10.815 -2.521 1.706) 11.235 6.993 ( -7.512 0.586 0.703) 7.568 7.073 ( -7.318 0.586 10.924) 13.161 7.247 ( -1.963 1.028 -4.922) 5.398 7.273 ( -0.120 3.934 5.200) 6.522 9.229 ( 0.818 0.021 0.795) 1.141 9.513 ( -3.673 0.772 0.300) 3.766 10.274 ( 2.896 -1.095 -1.595) 3.483 11.086 ( -2.795 5.156 1.025) 5.954 11.464 ( -0.320 1.693 0.470) 1.786 11.772 ( 4.595 8.279 -4.284) 10.392 11.916 ( 3.114 -3.738 2.329) 5.394 12.473 ( -5.735 -4.582 -1.563) 7.505 12.848 ( -0.519 -7.606 -0.703) 7.656 13.090 ( 1.258 -1.876 -0.818) 2.402 24.410 ( -0.036 0.045 0.333) 0.338 24.419 ( 0.441 -0.004 -0.596) 0.741 24.822 ( -0.364 1.035 -0.161) 1.109 25.097 ( 5.843 -2.918 1.474) 6.695 25.214 ( -4.904 -0.340 -1.391) 5.108 25.571 ( -0.522 3.233 0.791) 3.369 25.586 ( -1.752 2.039 -1.202) 2.945 26.728 ( -1.399 -4.261 0.702) 4.539 ======================= Grid point 20 (15/171) ======================= q-point: (-0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.795 ( 17.709 -8.635 -0.000) 19.702 0.986 ( 18.218 -15.022 -0.000) 23.612 1.705 ( 36.758 -13.317 -0.000) 39.096 2.383 ( 7.046 -0.650 -0.000) 7.076 2.504 ( 7.384 -6.362 -0.000) 9.747 2.748 ( 10.182 -17.459 -0.000) 20.211 2.830 ( 9.894 5.405 -0.000) 11.274 3.221 ( 1.137 -7.273 -0.000) 7.362 3.381 ( -10.411 0.331 0.000) 10.416 3.773 ( -5.232 11.096 0.000) 12.267 3.819 ( 4.153 5.390 -0.000) 6.804 4.180 ( -10.711 7.219 0.000) 12.917 4.369 ( 0.124 -0.108 -0.000) 0.165 4.508 ( -7.742 -1.027 0.000) 7.809 4.758 ( 0.214 -2.373 -0.000) 2.383 4.950 ( -14.117 -16.918 0.000) 22.034 5.189 ( 11.528 3.301 -0.000) 11.991 5.377 ( 3.875 -5.271 -0.000) 6.542 5.548 ( 8.408 13.566 -0.000) 15.960 5.971 ( -10.556 -5.994 0.000) 12.139 7.117 ( -6.336 0.823 0.000) 6.390 7.220 ( -1.086 -0.586 0.000) 1.234 7.255 ( -5.078 1.111 0.000) 5.198 7.342 ( 3.302 8.990 -0.000) 9.577 9.220 ( 1.128 0.534 -0.000) 1.248 9.583 ( -3.652 0.598 0.000) 3.701 10.222 ( 1.819 -0.207 -0.000) 1.831 11.186 ( -2.683 4.892 0.000) 5.579 11.491 ( -0.580 1.479 0.000) 1.589 11.739 ( 8.804 12.201 -0.000) 15.046 11.839 ( 3.315 -2.673 -0.000) 4.258 12.516 ( -6.642 -5.950 0.000) 8.917 12.772 ( -4.069 -14.441 -0.000) 15.004 13.048 ( 0.980 -2.163 -0.000) 2.375 24.404 ( 0.735 0.139 -0.000) 0.748 24.424 ( -1.041 -0.042 0.000) 1.042 24.827 ( 1.944 2.513 -0.000) 3.177 24.985 ( 2.723 -4.802 -0.000) 5.521 25.268 ( -1.746 0.536 0.000) 1.827 25.596 ( -3.575 -4.465 0.000) 5.720 25.661 ( 0.086 9.796 0.000) 9.796 26.705 ( -1.818 -6.255 -0.000) 6.514 ======================= Grid point 23 (16/171) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.587 ( -0.000 0.000 18.746) 18.746 0.768 ( -0.000 0.000 22.051) 22.051 1.749 ( -0.000 0.000 51.644) 51.644 1.995 ( 0.000 -0.000 -10.151) 10.151 2.107 ( 0.000 -0.000 -5.351) 5.351 2.568 ( -0.000 0.000 13.905) 13.905 3.067 ( -0.000 0.000 10.500) 10.500 3.530 ( 0.000 -0.000 -10.637) 10.637 3.615 ( -0.000 0.000 20.727) 20.727 3.681 ( -0.000 0.000 13.486) 13.486 4.240 ( -0.000 0.000 8.554) 8.554 4.391 ( 0.000 -0.000 -5.494) 5.494 4.560 ( 0.000 -0.000 -1.060) 1.060 4.578 ( -0.000 0.000 0.532) 0.532 4.634 ( -0.000 0.000 2.548) 2.548 4.688 ( 0.000 -0.000 -3.172) 3.172 4.712 ( 0.000 -0.000 -2.773) 2.773 5.258 ( -0.000 0.000 11.762) 11.762 5.337 ( 0.000 -0.000 -0.293) 0.293 5.608 ( 0.000 -0.000 -0.245) 0.245 6.731 ( 0.000 -0.000 -3.234) 3.234 6.901 ( 0.000 -0.000 -18.893) 18.893 7.083 ( 0.000 -0.000 -15.303) 15.303 7.642 ( 0.000 -0.000 -18.073) 18.073 9.286 ( -0.000 0.000 4.281) 4.281 9.638 ( 0.000 -0.000 -1.473) 1.473 10.341 ( -0.000 0.000 8.267) 8.267 11.212 ( 0.000 -0.000 -5.103) 5.103 11.329 ( 0.000 -0.000 -2.406) 2.406 11.658 ( 0.000 -0.000 -4.913) 4.913 12.379 ( -0.000 0.000 9.249) 9.249 12.625 ( -0.000 0.000 2.187) 2.187 12.816 ( 0.000 -0.000 -0.892) 0.892 13.015 ( 0.000 -0.000 -0.035) 0.035 24.404 ( -0.000 0.000 0.648) 0.648 24.451 ( -0.000 0.000 0.068) 0.068 24.954 ( -0.000 0.000 2.583) 2.583 25.198 ( 0.000 -0.000 -0.663) 0.663 25.335 ( -0.000 0.000 0.810) 0.810 25.565 ( 0.000 -0.000 -2.779) 2.779 25.843 ( -0.000 0.000 3.631) 3.631 26.316 ( 0.000 -0.000 -3.207) 3.207 ======================= Grid point 24 (17/171) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.905 ( -9.162 12.651 15.478) 21.990 1.205 ( -22.794 8.379 15.814) 28.980 1.994 ( -4.005 4.787 -8.331) 10.409 2.151 ( -4.408 2.685 30.204) 30.641 2.195 ( -8.076 8.421 7.271) 13.748 2.711 ( -2.971 0.205 14.212) 14.521 3.096 ( 3.942 1.044 1.171) 4.243 3.393 ( 6.367 -1.366 -8.226) 10.492 3.744 ( 2.204 -3.273 18.294) 18.715 3.914 ( -7.963 2.548 23.439) 24.886 4.229 ( 3.173 -11.024 6.128) 13.006 4.282 ( 3.914 -2.847 -4.795) 6.813 4.393 ( 10.507 -5.964 -1.313) 12.152 4.550 ( 4.077 14.416 -2.099) 15.128 4.654 ( -3.580 5.802 -1.762) 7.042 4.886 ( -8.508 2.893 -2.885) 9.439 4.943 ( -21.484 -2.776 -3.044) 21.875 5.261 ( 8.314 1.477 9.059) 12.384 5.360 ( -0.813 3.766 0.393) 3.872 5.703 ( -7.328 1.719 0.939) 7.585 6.696 ( 2.297 -0.486 -14.901) 15.084 6.719 ( 0.456 1.892 -12.800) 12.947 7.003 ( -5.038 -0.025 -16.092) 16.862 7.406 ( 8.121 -1.828 -16.224) 18.234 9.285 ( 3.866 0.625 4.614) 6.052 9.603 ( 2.416 -0.158 -1.950) 3.109 10.406 ( -0.219 -1.117 9.187) 9.257 11.143 ( 1.596 -2.093 -5.942) 6.499 11.344 ( -3.386 -0.274 -2.090) 3.989 11.635 ( -1.334 1.459 -5.905) 6.227 12.346 ( 0.316 -16.894 11.285) 20.318 12.628 ( 0.037 -3.534 1.796) 3.964 12.835 ( 6.272 14.399 1.504) 15.778 13.043 ( -1.194 3.408 -0.537) 3.651 24.412 ( -0.313 -0.134 0.695) 0.774 24.444 ( 0.722 0.032 0.152) 0.739 24.962 ( 2.267 0.034 2.722) 3.543 25.103 ( 7.133 -1.513 2.005) 7.562 25.311 ( -0.593 -3.397 1.243) 3.666 25.530 ( 1.445 1.120 -3.340) 3.807 25.861 ( 0.922 -3.507 4.863) 6.066 26.397 ( -6.235 6.986 -6.396) 11.340 ======================= Grid point 25 (18/171) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( -10.364 12.856 12.078) 20.459 1.742 ( -15.995 9.118 11.029) 21.462 2.083 ( -9.686 3.145 -5.502) 11.574 2.481 ( -15.405 13.813 -2.935) 20.898 2.535 ( -2.316 5.319 28.474) 29.059 2.824 ( 2.375 -3.618 4.611) 6.324 3.019 ( 4.925 3.359 4.038) 7.201 3.188 ( 7.206 -2.910 -6.384) 10.057 3.778 ( 4.236 -5.196 14.532) 16.003 4.051 ( 7.797 -7.171 -0.419) 10.602 4.166 ( 3.841 -6.010 5.555) 9.040 4.204 ( -1.114 -3.890 -1.317) 4.255 4.346 ( -7.218 3.363 22.534) 23.899 4.610 ( 1.862 11.926 -1.828) 12.208 4.743 ( -1.150 5.186 -1.953) 5.659 4.937 ( 5.359 2.511 0.302) 5.926 5.136 ( -11.964 -5.582 -0.969) 13.238 5.282 ( -5.751 0.329 1.067) 5.858 5.444 ( -1.163 5.536 -0.115) 5.658 5.780 ( -0.402 0.598 -4.175) 4.237 6.538 ( 0.206 0.266 -10.208) 10.214 6.621 ( 2.348 1.895 -16.977) 17.243 6.983 ( -7.538 0.284 -15.136) 16.912 7.177 ( 5.146 -0.274 -7.464) 9.070 9.267 ( 3.360 1.057 4.062) 5.376 9.532 ( 3.716 -0.160 -2.390) 4.421 10.472 ( -0.355 -1.323 9.060) 9.163 11.036 ( 2.298 -2.858 -6.032) 7.059 11.382 ( -2.833 -0.308 -1.138) 3.068 11.631 ( -1.684 2.685 -6.713) 7.423 12.269 ( 0.218 -14.882 10.465) 18.195 12.584 ( 0.658 -5.443 0.358) 5.494 12.894 ( 4.061 10.644 2.344) 11.631 13.100 ( -0.344 5.556 -0.063) 5.567 24.416 ( 0.084 -0.590 0.320) 0.676 24.440 ( 0.261 0.561 0.544) 0.824 24.916 ( 3.802 -1.760 2.203) 4.734 25.030 ( 3.874 1.322 0.355) 4.108 25.310 ( 0.322 0.394 1.586) 1.666 25.495 ( 1.434 2.100 -3.296) 4.163 25.819 ( 1.434 -8.333 5.128) 9.889 26.509 ( -4.991 6.609 -5.733) 10.072 ======================= Grid point 26 (19/171) ======================= q-point: ( 0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.659 ( -7.377 11.198 8.295) 15.768 2.056 ( -5.217 9.753 5.404) 12.311 2.273 ( -10.837 0.502 -0.679) 10.870 2.577 ( 10.187 -6.080 -4.902) 12.836 2.788 ( -6.440 -1.005 4.755) 8.068 2.808 ( -0.996 8.560 5.682) 10.322 2.990 ( 4.381 2.933 5.017) 7.278 3.216 ( -8.844 5.145 5.263) 11.506 3.744 ( 4.420 -6.198 10.525) 12.990 3.840 ( 9.193 -3.073 -2.056) 9.909 4.064 ( 7.767 -1.187 1.517) 8.002 4.247 ( -4.488 -3.045 4.700) 7.177 4.503 ( 3.161 4.012 4.974) 7.129 4.695 ( 5.193 1.368 -6.618) 8.522 4.836 ( -3.999 6.140 9.966) 12.370 4.924 ( -4.207 2.065 5.897) 7.533 5.258 ( -4.247 -1.515 -0.746) 4.571 5.362 ( -5.774 -1.820 -2.124) 6.416 5.447 ( 1.584 0.298 -5.323) 5.562 5.686 ( 4.757 2.857 -7.091) 9.004 6.470 ( 0.644 2.200 -13.069) 13.269 6.549 ( -4.367 -0.339 0.997) 4.492 7.016 ( -8.771 0.840 -11.969) 14.862 7.110 ( 0.360 1.276 -2.334) 2.684 9.261 ( 1.911 0.693 2.938) 3.573 9.453 ( 3.254 0.159 -2.285) 3.980 10.524 ( 0.456 -1.844 7.232) 7.477 10.932 ( 1.728 -1.776 -4.887) 5.479 11.407 ( -1.074 0.010 -0.099) 1.078 11.638 ( -1.681 4.045 -6.516) 7.852 12.210 ( 0.278 -11.843 8.380) 14.511 12.516 ( -0.001 -6.198 -1.266) 6.326 12.938 ( 2.824 6.479 1.598) 7.246 13.152 ( 0.863 5.073 0.388) 5.161 24.411 ( -0.133 -0.482 0.183) 0.532 24.447 ( 0.389 0.605 0.357) 0.803 24.864 ( 2.801 -0.596 1.674) 3.317 24.979 ( 2.551 0.830 -2.443) 3.629 25.335 ( 1.158 3.505 2.713) 4.581 25.475 ( 1.509 3.619 -2.822) 4.831 25.742 ( 0.630 -11.056 4.064) 11.796 26.598 ( -3.670 4.585 -3.671) 6.926 ======================= Grid point 27 (20/171) ======================= q-point: ( 0.60 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.873 ( -1.540 6.971 3.259) 7.848 2.093 ( 14.074 -4.294 -3.195) 15.058 2.323 ( -4.263 8.882 1.460) 9.959 2.558 ( -9.872 -2.575 2.789) 10.577 2.694 ( 2.928 -2.188 -10.071) 10.714 2.929 ( -0.234 -0.717 8.037) 8.072 3.110 ( -1.159 2.099 11.959) 12.197 3.452 ( -5.121 7.047 2.650) 9.105 3.653 ( 7.844 -0.037 -1.692) 8.024 3.727 ( 1.375 -5.224 7.955) 9.616 3.929 ( 8.186 -0.830 2.511) 8.602 4.275 ( 3.590 1.181 2.845) 4.730 4.503 ( 8.363 2.835 -4.915) 10.106 4.556 ( 0.675 0.364 -5.363) 5.418 4.947 ( -3.267 1.419 1.033) 3.708 4.988 ( 5.623 1.459 -4.788) 7.528 5.255 ( -0.819 -8.042 -2.349) 8.418 5.318 ( -3.288 -2.417 -0.122) 4.082 5.491 ( -8.133 0.130 -1.578) 8.285 5.661 ( 4.878 10.089 0.746) 11.231 6.494 ( -6.777 1.761 1.932) 7.264 6.648 ( -5.927 -0.562 2.746) 6.556 7.082 ( -7.683 0.677 -8.500) 11.477 7.121 ( -1.250 1.730 -1.023) 2.367 9.258 ( 0.903 -0.222 1.378) 1.662 9.406 ( 1.236 0.846 -1.059) 1.835 10.516 ( 2.594 -3.239 2.888) 5.056 10.888 ( -0.223 1.096 -1.637) 1.983 11.418 ( 0.132 0.709 0.249) 0.763 11.664 ( -1.401 5.282 -4.831) 7.294 12.156 ( 0.758 -9.154 6.028) 10.987 12.451 ( -1.533 -6.223 -2.189) 6.772 12.954 ( 2.237 3.298 0.698) 4.046 13.173 ( 1.869 3.187 0.224) 3.701 24.415 ( -0.563 -0.135 0.086) 0.586 24.442 ( 0.980 0.446 0.036) 1.077 24.834 ( 2.572 0.157 1.865) 3.181 24.946 ( -1.462 0.570 -3.603) 3.930 25.374 ( 2.837 5.180 3.434) 6.832 25.469 ( 2.906 6.705 -2.526) 7.732 25.651 ( -1.484 -13.453 2.309) 13.730 26.663 ( -2.989 2.084 -1.765) 4.048 ======================= Grid point 28 (21/171) ======================= q-point: (-0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( 14.325 -5.454 -5.041) 16.136 1.887 ( 4.846 -1.458 0.159) 5.063 2.493 ( -2.955 3.452 4.667) 6.514 2.591 ( 0.423 1.410 -7.232) 7.380 2.721 ( -6.944 2.434 4.368) 8.558 2.912 ( 2.248 -4.712 -0.770) 5.277 3.225 ( 1.560 -0.553 15.425) 15.514 3.494 ( 6.523 3.498 -3.859) 8.347 3.528 ( 7.303 4.067 -3.458) 9.046 3.710 ( -0.097 -6.722 2.377) 7.131 3.882 ( 1.123 0.302 6.014) 6.125 4.205 ( 7.484 -0.795 -0.589) 7.549 4.288 ( 9.872 5.533 -8.999) 14.458 4.510 ( 1.941 -0.682 -5.023) 5.427 4.842 ( 4.155 -4.892 -2.859) 7.026 4.917 ( 3.213 -3.445 -1.209) 4.863 5.286 ( -10.029 -0.915 2.829) 10.461 5.392 ( -6.307 -4.263 -0.900) 7.666 5.600 ( -5.130 0.594 0.000) 5.165 5.662 ( 8.779 11.039 -0.082) 14.104 6.697 ( -9.674 0.599 4.805) 10.818 6.786 ( -8.091 0.933 5.621) 9.896 7.128 ( -4.793 0.584 -6.990) 8.496 7.171 ( -2.562 1.825 0.803) 3.247 9.250 ( 0.372 -0.541 0.398) 0.768 9.411 ( -1.023 1.098 -0.018) 1.501 10.436 ( 3.875 -3.411 -0.035) 5.162 10.924 ( -1.624 3.324 0.301) 3.711 11.426 ( 0.272 1.532 0.122) 1.561 11.706 ( -0.214 5.939 -2.474) 6.437 12.095 ( 1.656 -6.746 3.131) 7.620 12.416 ( -3.465 -5.866 -1.643) 7.008 12.942 ( 1.771 0.315 0.120) 1.802 13.160 ( 2.227 1.105 -0.138) 2.489 24.424 ( -0.257 0.186 -0.035) 0.320 24.427 ( 1.047 0.192 -0.032) 1.065 24.812 ( 1.129 -0.246 0.686) 1.344 24.991 ( -5.107 1.424 -1.601) 5.539 25.364 ( 7.602 3.942 2.006) 8.795 25.480 ( 3.710 9.869 -1.169) 10.608 25.581 ( -5.436 -13.636 0.641) 14.694 26.709 ( -2.631 -0.322 -0.458) 2.690 ======================= Grid point 29 (22/171) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.452 ( 13.394 -6.677 -0.000) 14.966 1.707 ( 9.973 -9.325 -0.000) 13.654 2.546 ( 7.174 6.310 -0.000) 9.554 2.556 ( 0.058 -2.160 -0.000) 2.160 2.781 ( 2.949 -6.374 -0.000) 7.023 2.904 ( -7.398 3.446 0.000) 8.161 3.191 ( 17.885 -4.044 -0.000) 18.336 3.298 ( 1.660 -3.689 -0.000) 4.045 3.475 ( 6.488 9.730 -0.000) 11.695 3.722 ( -6.098 -0.867 0.000) 6.160 3.806 ( 10.186 -7.198 -0.000) 12.473 4.133 ( 12.468 5.786 -0.000) 13.745 4.169 ( -7.659 -0.967 0.000) 7.719 4.438 ( 1.908 -1.952 -0.000) 2.730 4.754 ( -0.050 -3.450 -0.000) 3.450 4.857 ( -3.272 -7.040 0.000) 7.764 5.401 ( -0.000 -3.205 -0.000) 3.205 5.485 ( -6.495 5.597 0.000) 8.574 5.591 ( 9.302 6.457 -0.000) 11.324 5.686 ( -6.314 -0.807 0.000) 6.365 6.854 ( -8.525 -0.149 0.000) 8.527 6.992 ( -8.923 2.011 0.000) 9.147 7.160 ( -3.158 0.215 0.000) 3.165 7.240 ( -2.101 2.951 0.000) 3.622 9.243 ( 0.393 -0.194 -0.000) 0.438 9.453 ( -2.683 0.941 0.000) 2.844 10.341 ( 3.780 -2.403 -0.000) 4.479 10.999 ( -2.329 4.595 0.000) 5.152 11.442 ( -0.088 1.939 0.000) 1.941 11.742 ( 2.033 6.375 0.000) 6.691 12.016 ( 2.591 -4.938 -0.000) 5.576 12.425 ( -5.087 -5.328 0.000) 7.366 12.905 ( 1.113 -3.112 -0.000) 3.305 13.126 ( 1.896 -0.630 -0.000) 1.998 24.414 ( 0.498 -0.058 -0.000) 0.502 24.425 ( 0.447 0.270 -0.000) 0.522 24.808 ( -0.447 0.049 0.000) 0.450 25.099 ( -6.772 1.010 0.000) 6.847 25.248 ( 8.664 -0.309 -0.000) 8.669 25.517 ( 3.945 11.210 0.000) 11.884 25.568 ( -6.012 -9.421 0.000) 11.176 26.733 ( -2.136 -2.424 0.000) 3.231 ======================= Grid point 34 (23/171) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.883 ( -0.000 0.000 18.618) 18.618 1.096 ( -0.000 0.000 19.399) 19.399 1.838 ( 0.000 -0.000 -10.156) 10.156 1.998 ( 0.000 -0.000 -8.369) 8.369 2.507 ( -0.000 0.000 42.870) 42.870 2.813 ( -0.000 0.000 16.474) 16.474 3.126 ( 0.000 -0.000 -0.539) 0.539 3.369 ( 0.000 -0.000 -9.533) 9.533 3.951 ( -0.000 0.000 19.959) 19.959 4.017 ( -0.000 0.000 25.533) 25.533 4.285 ( 0.000 -0.000 -7.435) 7.435 4.355 ( -0.000 0.000 5.862) 5.862 4.540 ( 0.000 -0.000 -1.350) 1.350 4.591 ( -0.000 0.000 1.122) 1.122 4.640 ( 0.000 -0.000 -2.971) 2.971 4.663 ( 0.000 -0.000 -3.218) 3.218 4.700 ( -0.000 0.000 6.665) 6.665 5.344 ( -0.000 0.000 1.455) 1.455 5.457 ( -0.000 0.000 12.142) 12.142 5.599 ( 0.000 -0.000 -1.066) 1.066 6.564 ( 0.000 -0.000 -22.349) 22.349 6.649 ( 0.000 -0.000 -7.282) 7.282 6.826 ( 0.000 -0.000 -15.713) 15.713 7.320 ( 0.000 -0.000 -21.965) 21.965 9.358 ( -0.000 0.000 4.707) 4.707 9.607 ( 0.000 -0.000 -2.430) 2.430 10.489 ( -0.000 0.000 10.220) 10.220 11.113 ( 0.000 -0.000 -7.335) 7.335 11.303 ( 0.000 -0.000 -0.537) 0.537 11.569 ( 0.000 -0.000 -6.175) 6.175 12.539 ( -0.000 0.000 10.608) 10.608 12.664 ( -0.000 0.000 2.585) 2.585 12.799 ( 0.000 -0.000 -1.330) 1.330 13.000 ( 0.000 -0.000 -2.033) 2.033 24.416 ( -0.000 0.000 0.798) 0.798 24.451 ( 0.000 -0.000 -0.083) 0.083 25.002 ( -0.000 0.000 3.389) 3.389 25.183 ( 0.000 -0.000 -1.303) 1.303 25.351 ( -0.000 0.000 1.288) 1.288 25.515 ( 0.000 -0.000 -3.423) 3.423 25.911 ( -0.000 0.000 4.913) 4.913 26.255 ( 0.000 -0.000 -4.488) 4.488 ======================= Grid point 35 (24/171) ======================= q-point: ( 0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.160 ( -6.334 11.252 16.347) 20.832 1.447 ( -17.616 7.596 14.524) 24.062 1.848 ( -5.294 6.645 -9.878) 13.028 2.061 ( -12.506 7.838 -8.842) 17.205 2.794 ( 2.513 0.155 33.287) 33.382 2.934 ( -0.894 -3.935 12.363) 13.005 3.098 ( 4.579 3.493 1.466) 5.943 3.255 ( 4.805 -1.049 -8.192) 9.555 4.020 ( 4.201 -5.252 13.929) 15.468 4.187 ( 2.431 -2.954 -3.794) 5.388 4.253 ( -1.505 -5.953 9.185) 11.049 4.357 ( 6.319 -5.716 4.528) 9.649 4.393 ( -0.564 -1.269 10.211) 10.305 4.534 ( 5.203 10.660 0.492) 11.872 4.635 ( -2.029 7.390 0.923) 7.719 4.844 ( -10.090 1.719 -2.278) 10.486 4.958 ( -14.397 -0.573 5.116) 15.289 5.365 ( 5.159 1.048 3.180) 6.150 5.402 ( 4.887 3.071 4.912) 7.580 5.693 ( -4.615 1.016 -4.288) 6.381 6.419 ( -2.474 0.437 -14.451) 14.668 6.550 ( 3.948 0.687 -12.082) 12.729 6.756 ( -4.797 0.237 -12.640) 13.522 7.131 ( 1.052 -0.302 -17.665) 17.699 9.362 ( 3.822 0.413 4.968) 6.282 9.564 ( 2.544 0.005 -2.976) 3.915 10.563 ( 0.266 -1.157 10.457) 10.524 11.032 ( 1.258 -1.600 -7.980) 8.235 11.330 ( -2.780 -0.054 0.527) 2.830 11.535 ( -1.214 1.166 -6.464) 6.680 12.507 ( 1.054 -14.849 8.686) 17.235 12.656 ( -0.047 -6.025 1.560) 6.224 12.853 ( 3.119 13.003 1.187) 13.424 13.019 ( -1.245 5.287 -2.448) 5.958 24.423 ( -0.140 -0.236 0.681) 0.734 24.446 ( 0.404 0.111 0.008) 0.419 25.008 ( 2.969 0.028 3.067) 4.269 25.115 ( 5.514 -0.611 -0.304) 5.556 25.335 ( 0.137 -2.770 1.690) 3.248 25.475 ( 1.049 0.429 -3.541) 3.718 25.944 ( 0.736 -3.426 5.500) 6.521 26.299 ( -5.676 6.026 -5.981) 10.213 ======================= Grid point 36 (25/171) ======================= q-point: ( 0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.505 ( -6.965 11.655 12.174) 18.236 1.847 ( -7.385 13.329 0.246) 15.240 2.021 ( -16.946 2.069 -0.181) 17.073 2.392 ( -18.777 14.515 -5.790) 24.429 2.834 ( 11.309 -6.424 1.425) 13.084 2.961 ( 1.040 -2.432 15.634) 15.857 3.086 ( 7.994 1.497 -1.027) 8.197 3.156 ( -0.756 2.471 8.199) 8.596 3.965 ( 4.471 -7.608 6.947) 11.231 4.015 ( 9.039 -4.802 -3.146) 10.708 4.190 ( 5.970 -0.265 2.371) 6.429 4.256 ( -3.282 -5.054 4.795) 7.701 4.547 ( 5.269 7.570 0.164) 9.225 4.634 ( -5.028 2.402 -0.384) 5.585 4.798 ( -5.146 5.515 13.628) 15.576 4.946 ( -0.768 0.746 0.682) 1.269 5.160 ( -8.047 -2.707 4.614) 9.663 5.313 ( 0.968 0.796 2.457) 2.758 5.433 ( 1.974 3.064 -1.742) 4.040 5.647 ( 2.475 3.379 -10.995) 11.766 6.379 ( 3.296 1.751 -11.450) 12.043 6.436 ( -6.931 0.317 -6.572) 9.556 6.793 ( -7.837 0.374 -4.888) 9.244 7.041 ( -2.361 0.887 -9.615) 9.940 9.337 ( 4.102 0.342 4.533) 6.123 9.486 ( 3.725 0.385 -3.289) 4.984 10.621 ( 0.746 -2.023 9.469) 9.712 10.927 ( 1.460 -1.780 -7.613) 7.954 11.383 ( -2.302 0.100 1.408) 2.700 11.527 ( -1.892 2.259 -6.053) 6.732 12.407 ( 1.364 -13.073 6.687) 14.747 12.583 ( 0.063 -8.667 -0.543) 8.684 12.923 ( 2.948 8.845 1.351) 9.421 13.091 ( -0.442 7.856 -0.919) 7.922 24.420 ( 0.215 -0.739 0.189) 0.792 24.448 ( 0.129 0.611 0.358) 0.719 24.948 ( 4.454 -1.903 1.780) 5.160 25.029 ( 5.325 1.131 -0.393) 5.458 25.338 ( 0.251 1.283 1.835) 2.253 25.444 ( 0.627 1.391 -2.981) 3.348 25.895 ( 1.629 -9.174 3.978) 10.132 26.427 ( -5.888 7.433 -4.227) 10.382 ======================= Grid point 37 (26/171) ======================= q-point: ( 0.60 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.770 ( -3.679 10.225 4.594) 11.798 2.088 ( -7.712 14.288 -0.278) 16.238 2.278 ( -6.598 0.370 1.042) 6.690 2.525 ( 9.533 -7.802 -1.342) 12.392 2.668 ( -3.635 0.222 -5.643) 6.716 3.029 ( 4.417 0.571 6.166) 7.606 3.089 ( -8.226 7.618 6.988) 13.211 3.263 ( -4.076 1.871 0.868) 4.568 3.797 ( 10.004 -1.463 -1.681) 10.249 3.875 ( 3.363 -5.813 3.416) 7.534 4.108 ( 6.541 -1.896 3.923) 7.860 4.346 ( -2.535 -1.040 5.751) 6.370 4.520 ( 5.271 6.475 -0.726) 8.381 4.592 ( 6.995 0.705 -5.569) 8.969 4.935 ( 1.110 0.141 3.490) 3.665 4.986 ( -1.051 1.526 0.199) 1.864 5.267 ( -1.617 -1.178 2.353) 3.089 5.335 ( -4.376 -0.541 -4.376) 6.212 5.351 ( 0.531 -3.329 -2.489) 4.190 5.622 ( 2.046 9.520 -0.989) 9.788 6.385 ( -5.850 2.416 2.985) 6.997 6.507 ( -8.265 0.689 -8.293) 11.729 6.913 ( -7.713 -0.388 0.203) 7.726 7.048 ( -3.283 1.842 -4.388) 5.782 9.306 ( 2.895 -0.528 2.203) 3.676 9.417 ( 2.768 1.284 -1.838) 3.562 10.626 ( 2.642 -3.928 4.588) 6.592 10.857 ( -0.070 0.481 -3.673) 3.705 11.417 ( -0.297 0.303 0.941) 1.032 11.554 ( -2.500 3.800 -3.424) 5.693 12.311 ( 1.510 -10.457 3.849) 11.245 12.492 ( -0.974 -9.029 -1.326) 9.178 12.955 ( 2.681 5.731 0.543) 6.350 13.154 ( 1.099 6.264 -0.020) 6.360 24.413 ( -0.177 -0.585 0.074) 0.615 24.450 ( 0.616 0.619 0.129) 0.883 24.892 ( 2.070 -0.662 1.577) 2.685 24.944 ( 4.850 0.651 -1.798) 5.213 25.376 ( 1.004 4.856 2.315) 5.473 25.432 ( 0.934 2.804 -2.430) 3.826 25.791 ( 0.899 -11.773 1.800) 11.943 26.553 ( -4.536 5.115 -1.650) 7.033 ======================= Grid point 38 (27/171) ======================= q-point: ( 0.70 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.902 ( 0.212 6.859 0.000) 6.862 2.060 ( 17.845 -5.286 -0.000) 18.612 2.352 ( -7.853 10.744 0.000) 13.308 2.577 ( -11.231 -1.784 0.000) 11.371 2.596 ( 3.175 -3.028 -0.000) 4.388 2.991 ( 2.136 -2.808 -0.000) 3.528 3.284 ( -1.565 -0.495 0.000) 1.641 3.399 ( -6.863 8.759 0.000) 11.127 3.637 ( 9.555 2.742 -0.000) 9.940 3.799 ( 1.743 -5.275 -0.000) 5.556 3.997 ( 5.980 -3.103 -0.000) 6.737 4.328 ( 8.698 4.089 -0.000) 9.611 4.395 ( 11.327 -0.298 -0.000) 11.331 4.512 ( 1.425 2.308 -0.000) 2.712 4.932 ( 4.144 -1.339 -0.000) 4.355 4.955 ( 1.241 2.854 -0.000) 3.113 5.235 ( -2.263 -8.293 -0.000) 8.596 5.320 ( -6.174 -3.884 0.000) 7.294 5.478 ( -8.149 1.105 0.000) 8.224 5.673 ( 5.799 12.063 -0.000) 13.384 6.578 ( -8.356 0.460 0.000) 8.368 6.616 ( -10.612 2.328 0.000) 10.864 7.015 ( -5.796 -0.646 0.000) 5.832 7.106 ( -3.111 2.010 0.000) 3.704 9.271 ( 1.337 -0.802 -0.000) 1.559 9.396 ( 0.808 1.461 -0.000) 1.670 10.541 ( 3.875 -4.421 -0.000) 5.878 10.874 ( -1.151 2.323 0.000) 2.593 11.422 ( 0.540 0.954 -0.000) 1.096 11.623 ( -1.914 5.038 0.000) 5.390 12.209 ( 1.576 -8.361 -0.000) 8.509 12.429 ( -2.362 -7.844 -0.000) 8.192 12.960 ( 2.358 3.155 -0.000) 3.939 13.175 ( 2.188 3.565 -0.000) 4.183 24.416 ( -0.527 -0.163 0.000) 0.552 24.442 ( 1.081 0.490 -0.000) 1.186 24.858 ( 3.833 0.019 -0.000) 3.833 24.909 ( -2.320 0.797 0.000) 2.453 25.419 ( 3.274 4.110 -0.000) 5.254 25.432 ( 2.230 8.257 0.000) 8.552 25.671 ( -1.190 -13.934 -0.000) 13.985 26.648 ( -3.496 2.168 0.000) 4.113 ======================= Grid point 46 (28/171) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( -0.000 0.000 17.588) 17.588 1.383 ( -0.000 0.000 16.635) 16.635 1.662 ( 0.000 -0.000 -12.162) 12.162 1.841 ( 0.000 -0.000 -11.428) 11.428 3.055 ( -0.000 0.000 24.042) 24.042 3.066 ( -0.000 0.000 14.434) 14.434 3.114 ( -0.000 0.000 0.055) 0.055 3.234 ( 0.000 -0.000 -7.321) 7.321 4.187 ( -0.000 0.000 8.060) 8.060 4.188 ( 0.000 -0.000 -3.284) 3.284 4.366 ( -0.000 0.000 15.290) 15.290 4.429 ( -0.000 0.000 3.600) 3.600 4.518 ( 0.000 -0.000 -1.337) 1.337 4.592 ( 0.000 -0.000 -3.162) 3.162 4.610 ( -0.000 0.000 1.190) 1.190 4.622 ( 0.000 -0.000 -1.277) 1.277 4.899 ( -0.000 0.000 20.115) 20.115 5.387 ( -0.000 0.000 4.042) 4.042 5.558 ( 0.000 -0.000 -4.000) 4.000 5.561 ( 0.000 -0.000 -4.142) 4.142 6.278 ( 0.000 -0.000 -9.164) 9.164 6.501 ( 0.000 -0.000 -11.186) 11.186 6.645 ( 0.000 -0.000 -5.098) 5.098 6.972 ( 0.000 -0.000 -20.899) 20.899 9.432 ( -0.000 0.000 4.588) 4.588 9.561 ( 0.000 -0.000 -3.359) 3.359 10.657 ( -0.000 0.000 10.816) 10.816 10.982 ( 0.000 -0.000 -9.150) 9.150 11.318 ( -0.000 0.000 2.401) 2.401 11.468 ( 0.000 -0.000 -6.280) 6.280 12.704 ( -0.000 0.000 9.914) 9.914 12.705 ( -0.000 0.000 2.531) 2.531 12.774 ( 0.000 -0.000 -1.775) 1.775 12.946 ( 0.000 -0.000 -4.872) 4.872 24.429 ( -0.000 0.000 0.777) 0.777 24.447 ( 0.000 -0.000 -0.336) 0.336 25.058 ( -0.000 0.000 3.601) 3.601 25.155 ( 0.000 -0.000 -2.207) 2.207 25.376 ( -0.000 0.000 1.909) 1.909 25.461 ( 0.000 -0.000 -3.333) 3.333 25.995 ( -0.000 0.000 5.652) 5.652 26.176 ( 0.000 -0.000 -5.390) 5.390 ======================= Grid point 47 (29/171) ======================= q-point: ( 0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( -4.254 10.011 15.011) 18.538 1.608 ( -5.220 9.791 -2.924) 11.474 1.726 ( -14.236 4.754 2.563) 15.226 1.906 ( -15.448 8.452 -10.180) 20.340 3.046 ( 4.030 -5.762 3.656) 7.925 3.103 ( 3.533 -5.699 -0.471) 6.722 3.187 ( 3.096 3.450 6.027) 7.603 3.202 ( 1.968 3.870 6.810) 8.076 4.124 ( 2.839 -6.257 0.699) 6.906 4.154 ( 3.126 -5.809 0.241) 6.601 4.338 ( 6.010 -4.594 3.158) 8.197 4.358 ( 9.953 -2.097 0.093) 10.172 4.512 ( -1.425 6.125 1.941) 6.581 4.539 ( -0.127 5.602 -1.442) 5.786 4.748 ( -7.902 3.028 7.957) 11.616 4.813 ( -11.104 1.096 -1.937) 11.325 5.148 ( -5.294 0.955 18.923) 19.673 5.405 ( 5.121 0.001 -0.774) 5.180 5.435 ( 2.341 2.585 -1.767) 3.909 5.534 ( -0.141 2.412 -11.823) 12.068 6.282 ( -3.060 0.350 -2.188) 3.778 6.358 ( 4.869 0.534 -10.459) 11.549 6.688 ( -5.336 -0.055 4.722) 7.126 6.868 ( -4.942 0.639 -14.788) 15.605 9.439 ( 3.427 0.095 4.559) 5.704 9.509 ( 2.778 0.295 -3.838) 4.747 10.730 ( 0.708 -1.319 10.431) 10.538 10.893 ( 0.843 -1.176 -9.518) 9.628 11.362 ( -2.018 0.255 3.456) 4.010 11.437 ( -1.515 0.812 -5.626) 5.883 12.606 ( 2.240 -12.605 3.422) 13.252 12.674 ( -0.384 -9.834 0.633) 9.862 12.879 ( 1.889 10.564 1.903) 10.899 12.973 ( -1.530 9.237 -2.807) 9.775 24.432 ( 0.198 -0.463 0.378) 0.630 24.444 ( -0.031 0.327 -0.115) 0.348 25.055 ( 3.911 -0.630 2.522) 4.696 25.099 ( 4.201 0.377 -1.544) 4.491 25.364 ( 0.957 -2.226 1.806) 3.022 25.424 ( 0.368 -0.125 -2.563) 2.592 26.024 ( 1.245 -5.123 3.790) 6.493 26.215 ( -5.924 7.370 -3.894) 10.226 ======================= Grid point 48 (30/171) ======================= q-point: ( 0.60 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( -3.166 9.605 0.000) 10.113 1.797 ( -8.327 14.746 0.000) 16.934 2.047 ( -15.794 3.318 0.000) 16.139 2.335 ( -21.783 14.075 0.000) 25.934 2.842 ( 14.257 -7.411 -0.000) 16.068 3.007 ( 0.633 -2.626 -0.000) 2.701 3.147 ( 5.977 0.467 -0.000) 5.995 3.248 ( 0.281 2.015 0.000) 2.035 3.983 ( 9.235 -5.101 -0.000) 10.550 4.007 ( 3.804 -6.780 -0.000) 7.774 4.233 ( 6.242 0.094 -0.000) 6.243 4.299 ( -3.836 -1.803 0.000) 4.239 4.541 ( 4.301 6.729 -0.000) 7.986 4.609 ( -1.049 2.340 0.000) 2.564 4.936 ( -6.411 -0.428 0.000) 6.425 4.944 ( -3.795 2.387 0.000) 4.483 5.237 ( -0.035 -2.547 -0.000) 2.547 5.355 ( 5.073 3.653 -0.000) 6.252 5.385 ( 1.830 -1.522 -0.000) 2.381 5.536 ( -0.248 7.310 0.000) 7.314 6.311 ( -3.805 1.162 0.000) 3.978 6.322 ( -3.768 1.708 0.000) 4.137 6.820 ( -6.976 -1.887 0.000) 7.227 6.917 ( -6.171 2.858 0.000) 6.801 9.390 ( 4.493 -0.951 -0.000) 4.593 9.444 ( 3.519 1.606 -0.000) 3.869 10.737 ( 2.534 -3.996 -0.000) 4.732 10.826 ( -0.252 0.342 0.000) 0.425 11.412 ( -1.049 -0.006 0.000) 1.049 11.461 ( -2.992 2.354 0.000) 3.808 12.466 ( 2.298 -11.277 -0.000) 11.509 12.574 ( -0.581 -11.078 -0.000) 11.093 12.935 ( 2.570 7.773 0.000) 8.186 13.081 ( -0.499 9.300 0.000) 9.313 24.422 ( 0.255 -0.793 -0.000) 0.833 24.451 ( 0.086 0.625 0.000) 0.631 24.965 ( 4.530 -2.363 -0.000) 5.109 25.024 ( 5.938 1.467 -0.000) 6.117 25.359 ( 0.592 2.376 0.000) 2.449 25.414 ( -0.034 0.388 0.000) 0.389 25.929 ( 1.779 -9.901 -0.000) 10.060 26.391 ( -6.233 8.155 0.000) 10.264 ======================= Grid point 59 (31/171) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.433 ( 0.000 -0.000 -14.849) 14.849 1.433 ( -0.000 0.000 14.849) 14.849 1.639 ( 0.000 -0.000 -13.756) 13.756 1.639 ( -0.000 0.000 13.756) 13.756 3.144 ( 0.000 -0.000 -3.860) 3.860 3.144 ( -0.000 0.000 3.860) 3.860 3.219 ( 0.000 -0.000 -2.353) 2.353 3.219 ( -0.000 0.000 2.353) 2.353 4.203 ( 0.000 -0.000 -3.439) 3.439 4.203 ( -0.000 0.000 3.439) 3.439 4.470 ( 0.000 -0.000 -1.084) 1.084 4.470 ( -0.000 0.000 1.084) 1.084 4.534 ( 0.000 -0.000 -4.185) 4.185 4.534 ( -0.000 0.000 4.185) 4.185 4.620 ( 0.000 -0.000 -0.105) 0.105 4.620 ( -0.000 0.000 0.105) 0.105 5.290 ( 0.000 -0.000 -25.365) 25.365 5.290 ( -0.000 0.000 25.365) 25.365 5.472 ( 0.000 -0.000 -6.305) 6.305 5.472 ( -0.000 0.000 6.305) 6.305 6.318 ( 0.000 -0.000 -10.281) 10.281 6.318 ( -0.000 0.000 10.281) 10.281 6.700 ( 0.000 -0.000 -11.728) 11.728 6.700 ( -0.000 0.000 11.728) 11.728 9.502 ( 0.000 -0.000 -4.111) 4.111 9.502 ( -0.000 0.000 4.111) 4.111 10.826 ( 0.000 -0.000 -10.375) 10.375 10.826 ( -0.000 0.000 10.375) 10.375 11.377 ( 0.000 -0.000 -4.969) 4.969 11.377 ( -0.000 0.000 4.969) 4.969 12.742 ( 0.000 -0.000 -2.206) 2.206 12.742 ( -0.000 0.000 2.206) 2.206 12.846 ( 0.000 -0.000 -7.762) 7.762 12.846 ( -0.000 0.000 7.762) 7.762 24.440 ( 0.000 -0.000 -0.600) 0.600 24.440 ( -0.000 0.000 0.600) 0.600 25.113 ( 0.000 -0.000 -3.127) 3.127 25.113 ( -0.000 0.000 3.127) 3.127 25.412 ( 0.000 -0.000 -2.681) 2.681 25.412 ( -0.000 0.000 2.681) 2.681 26.087 ( 0.000 -0.000 -5.803) 5.803 26.087 ( -0.000 0.000 5.803) 5.803 ======================= Grid point 108 (32/171) ======================= q-point: ( 0.10 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.358 ( -0.000 18.229 0.000) 18.229 0.480 ( -0.000 23.495 0.000) 23.495 0.883 ( -0.000 43.713 0.000) 43.713 2.254 ( -0.000 6.324 0.000) 6.324 2.361 ( -0.000 4.093 0.000) 4.093 2.520 ( -0.000 19.534 0.000) 19.534 2.611 ( -0.000 0.516 0.000) 0.516 3.255 ( -0.000 2.483 0.000) 2.483 3.613 ( -0.000 1.321 0.000) 1.321 3.759 ( 0.000 -7.375 -0.000) 7.375 4.351 ( 0.000 -7.817 -0.000) 7.817 4.412 ( 0.000 -9.349 -0.000) 9.349 4.420 ( 0.000 -10.354 -0.000) 10.354 4.580 ( 0.000 -1.876 -0.000) 1.876 4.626 ( -0.000 1.403 0.000) 1.403 4.806 ( -0.000 2.422 0.000) 2.422 4.872 ( -0.000 6.551 0.000) 6.551 5.312 ( -0.000 5.030 0.000) 5.030 5.622 ( -0.000 1.177 0.000) 1.177 6.539 ( 0.000 -4.156 -0.000) 4.156 6.793 ( -0.000 2.650 0.000) 2.650 7.205 ( 0.000 -1.258 -0.000) 1.258 7.260 ( -0.000 0.802 0.000) 0.802 7.342 ( 0.000 -0.924 -0.000) 0.924 9.220 ( -0.000 1.557 0.000) 1.557 9.652 ( 0.000 -0.751 -0.000) 0.751 10.212 ( -0.000 1.472 0.000) 1.472 11.233 ( 0.000 -5.958 -0.000) 5.958 11.380 ( 0.000 -0.545 -0.000) 0.545 11.501 ( 0.000 -1.851 -0.000) 1.851 11.776 ( -0.000 3.199 0.000) 3.199 12.576 ( 0.000 -1.085 -0.000) 1.085 13.034 ( -0.000 2.860 0.000) 2.860 13.204 ( -0.000 0.007 0.000) 0.007 24.391 ( 0.000 -0.180 -0.000) 0.180 24.448 ( 0.000 -0.043 -0.000) 0.043 24.765 ( 0.000 -1.766 -0.000) 1.766 24.970 ( -0.000 4.907 0.000) 4.907 25.200 ( 0.000 -0.763 -0.000) 0.763 25.657 ( -0.000 4.439 0.000) 4.439 25.756 ( 0.000 -2.619 -0.000) 2.619 26.796 ( 0.000 -1.608 -0.000) 1.608 ======================= Grid point 109 (33/171) ======================= q-point: ( 0.20 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.753 ( -10.325 13.151 22.835) 28.302 0.905 ( -16.016 19.634 4.976) 25.822 1.472 ( -17.781 32.039 6.362) 37.190 2.334 ( -1.868 7.815 -3.108) 8.615 2.476 ( -5.695 6.569 3.750) 9.468 2.636 ( -6.959 5.181 -4.677) 9.856 2.844 ( -5.355 14.871 9.484) 18.433 3.294 ( 1.556 4.449 3.120) 5.652 3.538 ( 8.154 -2.144 1.055) 8.497 3.690 ( -2.506 -7.165 -1.144) 7.677 3.937 ( 20.423 -3.702 0.485) 20.761 4.266 ( 7.286 -6.541 0.116) 9.792 4.301 ( -2.813 -5.186 -1.900) 6.198 4.623 ( 3.035 0.201 4.390) 5.341 4.794 ( 1.667 2.173 -0.826) 2.861 4.959 ( -23.402 -7.202 -1.627) 24.539 5.008 ( -9.846 -0.320 0.720) 9.877 5.379 ( -0.478 6.727 -2.444) 7.173 5.484 ( 14.365 1.521 -1.002) 14.480 6.173 ( 10.890 6.497 -16.974) 21.188 6.985 ( -11.906 -0.659 -13.051) 17.679 7.195 ( 0.715 -0.376 -5.529) 5.588 7.301 ( 1.588 -1.612 -0.842) 2.414 7.319 ( 3.424 -6.496 14.534) 16.284 9.229 ( 1.117 2.177 0.548) 2.508 9.623 ( 2.236 -1.088 -0.232) 2.497 10.225 ( 0.134 1.907 1.012) 2.164 11.151 ( 1.095 -7.505 -0.841) 7.631 11.432 ( -4.596 -1.918 -4.538) 6.738 11.555 ( -4.696 -6.707 11.821) 14.380 11.823 ( -1.853 4.150 -1.562) 4.806 12.559 ( 0.343 -1.828 -0.267) 1.879 13.063 ( 3.106 4.784 -0.660) 5.742 13.094 ( 7.929 6.505 1.825) 10.417 24.394 ( -0.394 -0.183 0.206) 0.480 24.440 ( 0.794 -0.049 0.043) 0.796 24.782 ( -1.485 -2.049 3.121) 4.018 25.025 ( 0.198 5.327 1.095) 5.442 25.226 ( -3.545 -2.407 0.034) 4.285 25.647 ( 5.035 -2.172 -2.334) 5.959 25.707 ( 3.332 4.441 2.598) 6.130 26.750 ( 0.315 0.758 -3.798) 3.886 ======================= Grid point 110 (34/171) ======================= q-point: ( 0.30 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( -9.581 10.629 22.324) 26.517 1.376 ( -13.029 17.973 5.509) 22.872 2.074 ( -17.697 16.209 6.860) 24.960 2.423 ( -3.035 8.421 -4.932) 10.220 2.695 ( -8.561 5.291 3.915) 10.799 2.774 ( -3.995 0.639 4.605) 6.130 3.053 ( -0.303 6.269 -1.250) 6.400 3.257 ( 4.975 2.802 -5.500) 7.928 3.432 ( 1.791 -3.928 4.414) 6.174 3.709 ( 5.519 -0.712 5.546) 7.856 3.794 ( -8.286 2.024 9.524) 12.785 4.089 ( 9.302 -1.221 1.410) 9.487 4.286 ( -1.678 -1.577 -5.012) 5.516 4.611 ( 4.429 -1.165 9.695) 10.722 4.775 ( 1.150 0.482 -0.688) 1.424 5.104 ( -7.117 -5.073 -4.057) 9.636 5.177 ( 14.059 6.092 -2.004) 15.453 5.238 ( -17.086 -9.364 -0.696) 19.496 5.496 ( -2.179 4.609 1.029) 5.201 5.984 ( 8.601 3.382 -7.671) 12.011 6.988 ( 1.092 -0.301 -12.156) 12.208 7.117 ( -1.658 1.610 -9.018) 9.309 7.213 ( 8.945 -5.073 0.898) 10.322 7.279 ( -0.816 -0.853 -0.574) 1.313 9.239 ( 0.987 2.461 0.379) 2.679 9.560 ( 3.488 -1.225 -0.493) 3.730 10.271 ( -1.496 2.132 2.848) 3.859 11.047 ( 1.360 -7.394 -1.335) 7.635 11.432 ( -1.465 -1.752 -2.103) 3.104 11.650 ( -5.525 -8.191 8.445) 12.998 11.887 ( -2.725 4.924 -3.452) 6.603 12.525 ( 0.645 -2.403 -0.871) 2.636 13.020 ( 6.701 7.648 1.101) 10.227 13.123 ( 0.618 3.121 2.661) 4.147 24.401 ( -0.427 -0.254 0.057) 0.500 24.429 ( 0.579 0.100 0.560) 0.812 24.809 ( -1.280 -0.921 1.401) 2.110 25.078 ( -0.121 4.207 -0.116) 4.210 25.255 ( -2.162 -1.837 0.621) 2.904 25.498 ( 5.531 -6.522 0.552) 8.569 25.726 ( 3.959 8.132 0.302) 9.049 26.738 ( -1.073 0.031 -2.978) 3.166 ======================= Grid point 111 (35/171) ======================= q-point: ( 0.40 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( -6.954 9.292 18.061) 21.468 1.750 ( -7.201 13.146 7.111) 16.590 2.436 ( -8.877 2.522 4.124) 10.108 2.511 ( -2.770 8.810 -5.033) 10.518 2.746 ( 3.654 -6.522 -0.150) 7.478 2.836 ( -1.520 0.473 -4.741) 5.001 3.073 ( -0.180 5.763 6.843) 8.948 3.175 ( 0.234 -2.042 -10.352) 10.554 3.517 ( -4.596 4.025 6.923) 9.233 3.764 ( -6.216 -2.497 7.491) 10.049 3.895 ( 8.390 4.976 0.537) 9.769 4.136 ( -4.571 3.370 12.693) 13.906 4.234 ( 1.737 -0.101 -2.830) 3.323 4.623 ( 1.824 -2.933 11.502) 12.009 4.790 ( -1.801 4.067 1.829) 4.810 4.951 ( 5.459 1.363 -3.621) 6.691 5.223 ( -8.309 -5.806 -1.622) 10.265 5.380 ( -8.826 -4.807 0.095) 10.050 5.549 ( 0.921 1.531 -0.491) 1.853 5.815 ( 8.936 1.166 -3.423) 9.640 6.806 ( 5.208 0.343 -14.603) 15.508 6.976 ( 10.290 -2.474 -8.889) 13.821 7.131 ( -0.829 1.928 -1.472) 2.564 7.290 ( -1.565 0.060 -0.880) 1.796 9.249 ( 0.918 2.321 0.084) 2.497 9.485 ( 3.419 -1.178 -0.662) 3.677 10.353 ( -2.348 2.526 3.229) 4.725 10.949 ( 0.910 -6.086 -1.349) 6.300 11.420 ( -0.610 -1.698 -0.736) 1.948 11.707 ( -3.960 -8.020 6.948) 11.326 11.950 ( -2.708 5.839 -5.368) 8.381 12.484 ( 0.023 -2.601 -1.516) 3.010 13.005 ( 4.759 5.333 1.480) 7.300 13.157 ( 0.849 1.787 2.595) 3.263 24.402 ( -0.362 -0.237 -0.147) 0.457 24.434 ( 0.068 0.092 0.981) 0.988 24.822 ( 0.403 0.374 0.422) 0.693 25.093 ( 0.211 1.085 -3.209) 3.394 25.276 ( 0.329 0.546 3.148) 3.212 25.378 ( 0.575 -8.852 1.988) 9.090 25.742 ( 4.843 10.406 -0.977) 11.519 26.728 ( -1.099 -1.729 -2.193) 3.001 ======================= Grid point 112 (36/171) ======================= q-point: ( 0.50 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.890 ( -1.961 7.271 5.121) 9.107 1.982 ( -2.249 5.194 15.014) 16.045 2.396 ( 6.718 -3.093 -8.894) 11.568 2.584 ( -0.637 5.381 -4.049) 6.764 2.723 ( -2.990 -3.094 8.201) 9.261 2.843 ( -4.628 -0.357 -4.060) 6.167 3.049 ( -1.734 -6.577 -11.423) 13.295 3.189 ( 2.361 6.091 6.837) 9.456 3.634 ( -1.272 4.353 0.892) 4.622 3.801 ( 8.028 7.875 -0.447) 11.255 3.889 ( 1.691 -0.177 4.281) 4.606 4.197 ( -4.260 -4.104 1.760) 6.171 4.332 ( -4.883 -0.081 10.845) 11.894 4.644 ( 1.012 -1.663 4.145) 4.580 4.890 ( -2.366 -0.198 2.356) 3.345 5.025 ( -4.776 6.658 8.139) 11.549 5.215 ( -2.578 -5.448 -5.780) 8.350 5.454 ( 5.579 0.309 -6.446) 8.531 5.469 ( -5.530 -5.598 0.853) 7.915 5.700 ( 4.166 0.342 2.094) 4.675 6.645 ( 3.607 1.594 -8.258) 9.151 6.728 ( 8.351 0.098 -9.294) 12.495 7.141 ( 0.585 0.494 0.152) 0.781 7.311 ( -0.675 0.916 -0.169) 1.150 9.253 ( 1.021 1.592 -0.274) 1.911 9.425 ( 1.942 -0.778 -0.202) 2.102 10.431 ( -1.518 2.173 1.124) 2.879 10.889 ( -0.554 -3.637 -0.016) 3.679 11.412 ( -0.525 -1.174 0.204) 1.302 11.738 ( -2.422 -7.191 6.923) 10.271 12.004 ( -2.219 6.947 -6.917) 10.051 12.453 ( -1.463 -2.644 -2.486) 3.913 12.984 ( 4.020 2.696 1.014) 4.945 13.169 ( 1.185 0.295 1.916) 2.272 24.411 ( -0.873 -0.098 0.069) 0.881 24.436 ( 0.531 -0.091 0.637) 0.834 24.809 ( 1.693 0.564 -0.111) 1.788 25.065 ( -0.015 -0.168 -2.239) 2.245 25.294 ( 3.541 0.005 5.267) 6.347 25.337 ( -5.355 -8.331 0.299) 9.908 25.761 ( 5.042 12.551 -2.239) 13.710 26.704 ( -1.022 -3.695 -1.290) 4.045 ======================= Grid point 113 (37/171) ======================= q-point: (-0.40 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.857 ( 8.303 -1.551 -2.449) 8.794 2.070 ( 5.501 -1.511 -9.389) 10.986 2.319 ( -4.366 4.361 10.410) 12.102 2.584 ( 5.218 3.428 -0.337) 6.252 2.789 ( -2.756 -2.661 5.124) 6.397 2.832 ( 3.330 -3.596 1.395) 5.096 2.993 ( -9.678 -3.965 -14.148) 17.594 3.197 ( 7.873 1.650 7.041) 10.690 3.717 ( 0.268 2.916 0.636) 2.997 3.734 ( 6.172 9.292 -0.504) 11.166 3.885 ( 0.016 3.765 0.833) 3.856 4.232 ( -1.882 -1.923 1.407) 3.037 4.450 ( -2.213 -5.041 2.249) 5.947 4.623 ( 0.739 -0.646 -0.117) 0.989 4.871 ( 5.089 -8.157 -5.365) 11.010 5.018 ( 4.166 -0.886 -4.529) 6.217 5.225 ( 1.115 -2.109 -6.181) 6.625 5.365 ( -7.155 3.046 3.238) 8.424 5.542 ( -4.645 -3.719 1.724) 6.195 5.727 ( 1.485 4.075 9.055) 10.040 6.589 ( 2.061 0.550 -4.020) 4.551 6.618 ( -0.944 2.482 3.570) 4.449 7.125 ( 1.824 -0.653 1.275) 2.319 7.322 ( 0.951 0.960 0.994) 1.677 9.241 ( 1.259 0.480 -0.428) 1.414 9.412 ( -0.491 0.008 0.791) 0.931 10.446 ( 0.637 0.738 -2.735) 2.903 10.908 ( -2.860 -0.294 2.583) 3.865 11.419 ( -0.709 -0.384 1.000) 1.284 11.759 ( -1.102 -5.662 7.295) 9.300 12.050 ( -1.577 8.209 -8.155) 11.678 12.439 ( -3.267 -3.160 -4.010) 6.061 12.938 ( 3.909 0.150 0.211) 3.917 13.154 ( 1.478 -0.970 0.901) 1.984 24.425 ( 0.647 -0.075 0.154) 0.670 24.426 ( -0.577 -0.104 0.135) 0.602 24.792 ( 0.321 0.161 -0.002) 0.359 25.067 ( -0.098 0.866 1.007) 1.332 25.249 ( 1.758 -4.089 1.527) 4.706 25.370 ( -4.634 -4.712 1.678) 6.819 25.788 ( 4.782 13.606 -3.241) 14.781 26.671 ( -1.100 -5.397 -0.171) 5.510 ======================= Grid point 114 (38/171) ======================= q-point: (-0.30 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.606 ( 13.534 -4.933 -5.101) 15.281 1.806 ( 8.041 -2.962 -20.165) 21.910 2.462 ( 11.491 0.312 4.928) 12.507 2.554 ( -2.892 5.017 7.268) 9.293 2.739 ( 5.001 -3.428 1.603) 6.272 2.852 ( -1.701 -0.404 2.155) 2.776 2.968 ( -3.224 -2.238 -12.373) 12.981 3.082 ( 10.029 -5.904 8.957) 14.686 3.636 ( 3.310 0.026 0.320) 3.325 3.850 ( -2.112 12.798 0.022) 12.972 3.998 ( -3.435 8.099 0.148) 8.798 4.204 ( 3.205 -2.094 -11.340) 11.969 4.324 ( 6.165 -1.879 -4.277) 7.735 4.611 ( 1.329 -15.144 -3.225) 15.541 4.662 ( -2.942 0.015 -3.152) 4.311 4.766 ( 6.620 -4.294 -10.805) 13.379 5.303 ( -5.219 -1.652 2.750) 6.126 5.502 ( -3.039 3.324 3.618) 5.777 5.555 ( 2.444 -1.538 3.245) 4.344 5.803 ( 1.351 3.861 1.904) 4.512 6.619 ( -3.433 -0.042 9.049) 9.678 6.792 ( -9.334 2.604 10.869) 14.561 7.093 ( 3.256 -0.983 3.617) 4.965 7.315 ( 1.954 0.520 1.793) 2.703 9.221 ( 1.244 -0.034 0.393) 1.305 9.448 ( -2.540 0.325 1.183) 2.821 10.395 ( 1.852 0.141 -4.890) 5.231 11.002 ( -4.106 1.676 3.733) 5.797 11.440 ( -0.550 0.176 1.571) 1.674 11.778 ( 0.247 -3.668 7.149) 8.039 12.089 ( -0.973 9.915 -9.611) 13.843 12.428 ( -5.131 -5.235 -6.026) 9.489 12.861 ( 4.263 -2.100 -0.588) 4.789 13.118 ( 1.681 -1.602 -0.067) 2.323 24.412 ( 0.486 -0.060 -0.107) 0.501 24.433 ( -0.019 -0.110 -0.134) 0.175 24.808 ( -1.700 0.492 0.252) 1.787 25.077 ( 3.197 0.018 4.195) 5.274 25.205 ( -1.900 -2.652 -2.304) 3.994 25.416 ( -4.554 -3.984 1.902) 6.343 25.817 ( 4.223 12.488 -3.694) 13.691 26.633 ( -0.903 -6.241 0.960) 6.379 ======================= Grid point 115 (39/171) ======================= q-point: (-0.20 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.260 ( 17.810 -4.428 -5.379) 19.124 1.443 ( 10.080 -2.495 -26.620) 28.574 2.227 ( 23.477 -2.672 1.255) 23.662 2.481 ( 15.996 5.215 1.770) 16.917 2.615 ( 7.994 -5.942 -0.903) 10.001 2.764 ( 9.100 -7.029 -3.492) 12.017 2.936 ( -5.563 0.241 6.552) 8.599 3.098 ( -7.681 -0.343 -1.518) 7.837 3.655 ( 1.347 4.805 3.485) 6.087 3.803 ( 11.340 -3.189 -24.435) 27.126 4.057 ( -5.851 14.216 -0.091) 15.373 4.139 ( -0.082 5.808 -3.264) 6.662 4.274 ( -1.128 0.758 1.328) 1.900 4.478 ( -3.064 -18.755 1.518) 19.064 4.593 ( -7.406 -1.837 -10.947) 13.344 4.743 ( -2.758 -2.263 0.846) 3.667 5.329 ( 1.325 0.424 -0.197) 1.405 5.462 ( 10.333 -0.455 2.030) 10.540 5.607 ( 0.210 1.923 9.155) 9.357 5.797 ( 0.359 0.551 -3.113) 3.182 6.816 ( -6.146 0.311 16.903) 17.989 7.049 ( -2.172 -0.844 -1.698) 2.883 7.112 ( -6.928 2.205 19.150) 20.484 7.301 ( 1.749 0.166 1.872) 2.567 9.208 ( 1.220 -0.026 1.590) 2.004 9.512 ( -3.717 0.226 1.029) 3.864 10.325 ( 1.944 0.295 -5.107) 5.472 11.118 ( -4.173 1.704 3.545) 5.735 11.460 ( 0.184 0.282 2.074) 2.101 11.788 ( 1.807 -1.637 6.017) 6.492 12.134 ( -1.194 13.594 -11.368) 17.761 12.394 ( -6.755 -10.934 -8.640) 15.487 12.753 ( 4.809 -2.830 -0.935) 5.657 13.072 ( 1.641 -1.254 -0.730) 2.190 24.410 ( -0.346 0.111 -0.131) 0.386 24.424 ( 0.559 -0.210 -0.374) 0.704 24.851 ( -2.252 1.020 -0.158) 2.477 25.020 ( 4.690 -1.636 1.532) 5.198 25.230 ( -3.911 -0.374 -1.606) 4.244 25.472 ( -4.268 -2.353 1.937) 5.245 25.833 ( 3.060 8.315 -3.346) 9.471 26.594 ( 0.026 -5.177 1.948) 5.531 ======================= Grid point 116 (40/171) ======================= q-point: (-0.10 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.865 ( 21.736 0.000 -5.507) 22.423 1.014 ( 12.779 -0.000 -30.748) 33.298 1.630 ( 39.166 0.000 -9.502) 40.302 2.352 ( 10.550 0.000 10.035) 14.561 2.419 ( 10.087 0.000 2.084) 10.300 2.537 ( 9.333 -0.000 -6.642) 11.455 2.979 ( 5.833 -0.000 -5.694) 8.151 3.192 ( -7.223 -0.000 -6.610) 9.791 3.484 ( -1.806 -0.000 -14.483) 14.595 3.735 ( 1.641 0.000 9.713) 9.851 4.121 ( 1.777 -0.000 -10.257) 10.410 4.289 ( -11.762 -0.000 0.225) 11.764 4.334 ( -2.919 0.000 1.518) 3.290 4.422 ( -4.572 0.000 4.996) 6.772 4.725 ( 2.985 0.000 0.021) 2.985 4.733 ( -15.084 -0.000 -4.617) 15.775 5.249 ( 14.250 0.000 -0.053) 14.250 5.302 ( 2.387 0.000 -0.586) 2.458 5.697 ( 4.494 0.000 18.089) 18.639 5.742 ( 3.512 -0.000 -1.746) 3.922 7.028 ( 6.051 0.000 9.984) 11.674 7.046 ( -4.993 0.000 15.266) 16.062 7.296 ( 0.480 0.000 1.563) 1.635 7.420 ( -14.053 -0.000 5.371) 15.045 9.204 ( 1.106 0.000 2.130) 2.400 9.583 ( -3.717 -0.000 0.682) 3.779 10.261 ( 1.540 -0.000 -4.145) 4.422 11.215 ( -3.335 0.000 2.643) 4.256 11.470 ( 1.350 0.000 3.215) 3.487 11.780 ( 2.923 0.000 3.846) 4.831 12.241 ( -1.572 -0.000 -6.022) 6.224 12.269 ( -8.667 -0.000 -18.988) 20.873 12.655 ( 3.927 0.000 -0.792) 4.006 13.034 ( 1.233 -0.000 -1.012) 1.596 24.408 ( 0.682 -0.000 -0.346) 0.764 24.423 ( -1.062 -0.000 -0.032) 1.063 24.890 ( -1.844 -0.000 -0.644) 1.954 24.939 ( 2.416 -0.000 -3.569) 4.310 25.278 ( -2.970 -0.000 -0.577) 3.026 25.539 ( -3.414 0.000 1.620) 3.778 25.818 ( 1.543 -0.000 -2.215) 2.699 26.571 ( 1.653 0.000 3.234) 3.632 ======================= Grid point 117 (41/171) ======================= q-point: ( 0.00 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.704 ( 19.901 0.000 -0.000) 19.901 0.820 ( 23.215 0.000 -0.000) 23.215 1.562 ( 44.523 0.000 -0.000) 44.523 2.439 ( 6.458 0.000 -0.000) 6.458 2.461 ( 8.160 0.000 -0.000) 8.160 2.479 ( 13.265 0.000 -0.000) 13.265 2.892 ( 16.413 0.000 -0.000) 16.413 3.134 ( -5.001 -0.000 0.000) 5.001 3.380 ( -10.282 -0.000 0.000) 10.282 3.876 ( 3.542 0.000 -0.000) 3.542 3.977 ( 0.747 0.000 -0.000) 0.747 4.291 ( -12.670 -0.000 0.000) 12.670 4.345 ( -3.074 -0.000 0.000) 3.074 4.469 ( -5.476 -0.000 0.000) 5.476 4.695 ( -16.387 -0.000 0.000) 16.387 4.722 ( 3.380 0.000 -0.000) 3.380 5.250 ( 15.051 0.000 -0.000) 15.051 5.297 ( 1.784 0.000 -0.000) 1.784 5.728 ( 2.886 0.000 -0.000) 2.886 5.867 ( -5.502 -0.000 0.000) 5.502 7.127 ( -6.912 -0.000 0.000) 6.912 7.213 ( -0.589 -0.000 0.000) 0.589 7.265 ( -5.107 -0.000 0.000) 5.107 7.463 ( -2.648 -0.000 0.000) 2.648 9.237 ( 1.528 0.000 -0.000) 1.528 9.588 ( -3.712 -0.000 0.000) 3.712 10.227 ( 1.786 0.000 -0.000) 1.786 11.237 ( -3.310 -0.000 0.000) 3.310 11.506 ( -0.788 -0.000 0.000) 0.788 11.813 ( 3.581 0.000 -0.000) 3.581 12.063 ( -0.644 -0.000 0.000) 0.644 12.190 ( -1.955 -0.000 0.000) 1.955 12.649 ( 4.139 0.000 -0.000) 4.139 13.025 ( 1.380 0.000 -0.000) 1.380 24.405 ( 0.712 0.000 -0.000) 0.712 24.424 ( -1.105 -0.000 0.000) 1.105 24.885 ( -1.510 -0.000 0.000) 1.510 24.904 ( 6.558 0.000 -0.000) 6.558 25.273 ( -3.149 -0.000 0.000) 3.149 25.552 ( -3.479 -0.000 0.000) 3.479 25.800 ( 1.476 0.000 -0.000) 1.476 26.598 ( -0.400 -0.000 0.000) 0.400 ======================= Grid point 119 (42/171) ======================= q-point: ( 0.20 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.630 ( 0.000 18.503 16.252) 24.627 0.743 ( 0.000 20.921 20.728) 29.450 1.108 ( 0.000 26.054 35.123) 43.731 2.237 ( -0.000 6.442 -2.245) 6.822 2.329 ( -0.000 12.908 -8.941) 15.702 2.444 ( 0.000 6.752 5.377) 8.632 2.845 ( 0.000 3.830 18.245) 18.643 3.347 ( 0.000 1.202 11.021) 11.086 3.618 ( -0.000 2.078 1.543) 2.588 3.705 ( -0.000 -5.468 -7.440) 9.233 4.231 ( -0.000 -6.435 -8.727) 10.843 4.418 ( 0.000 -10.024 -0.275) 10.028 4.421 ( 0.000 -5.404 -1.795) 5.694 4.590 ( 0.000 -1.655 1.319) 2.117 4.661 ( -0.000 4.333 3.392) 5.503 4.795 ( -0.000 2.471 -1.790) 3.051 4.865 ( -0.000 6.918 -0.901) 6.977 5.287 ( -0.000 7.033 -2.471) 7.455 5.621 ( -0.000 1.134 -0.128) 1.142 5.789 ( -0.000 30.399 -37.664) 48.401 6.785 ( -0.000 2.437 -1.096) 2.672 7.142 ( -0.000 0.421 -10.243) 10.252 7.272 ( -0.000 -0.774 -8.712) 8.747 7.619 ( 0.000 -15.766 10.212) 18.784 9.239 ( 0.000 1.315 2.554) 2.873 9.648 ( -0.000 -0.677 -0.563) 0.880 10.227 ( 0.000 0.433 3.296) 3.325 11.216 ( 0.000 -5.604 -2.152) 6.003 11.362 ( -0.000 -0.548 -2.113) 2.183 11.743 ( 0.000 -5.005 6.218) 7.982 11.769 ( 0.000 -9.146 12.639) 15.601 12.578 ( 0.000 -1.802 0.252) 1.819 13.044 ( -0.000 3.207 1.107) 3.393 13.132 ( -0.000 8.011 -6.220) 10.142 24.394 ( 0.000 -0.175 0.369) 0.408 24.449 ( 0.000 -0.062 0.054) 0.083 24.884 ( 0.000 -7.810 7.665) 10.943 25.020 ( 0.000 -1.080 7.080) 7.162 25.198 ( 0.000 -0.815 -0.301) 0.869 25.631 ( -0.000 2.769 -2.789) 3.930 25.784 ( 0.000 -1.000 3.077) 3.236 26.654 ( -0.000 8.036 -12.533) 14.888 ======================= Grid point 120 (43/171) ======================= q-point: ( 0.30 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.041 ( -10.160 19.300 11.466) 24.642 1.189 ( -9.142 12.749 24.307) 28.930 1.720 ( -12.003 21.944 26.672) 36.565 2.261 ( 0.436 9.455 -5.333) 10.864 2.547 ( -11.704 12.589 -1.005) 17.218 2.594 ( -3.324 8.914 5.134) 10.811 3.019 ( -0.979 1.172 9.725) 9.844 3.366 ( 8.170 -0.733 4.488) 9.351 3.548 ( 3.924 -3.382 -0.282) 5.188 3.728 ( -5.096 2.903 9.642) 11.286 3.959 ( 11.548 -7.910 2.465) 14.213 4.258 ( 2.457 -3.985 -2.466) 5.292 4.274 ( 5.397 -5.868 0.360) 7.980 4.720 ( 1.175 1.726 5.487) 5.870 4.775 ( 1.332 2.646 -0.547) 3.012 4.911 ( -20.859 -6.081 -4.738) 22.238 5.010 ( -12.153 -0.135 -1.142) 12.207 5.314 ( 8.764 9.249 -3.453) 13.202 5.465 ( 7.128 4.204 -0.971) 8.332 5.885 ( -4.058 9.551 -13.093) 16.706 6.846 ( -4.946 2.255 -6.766) 8.679 7.017 ( 3.121 1.199 -15.079) 15.445 7.209 ( -2.727 -0.652 -9.801) 10.194 7.454 ( 8.772 -8.523 -0.300) 12.234 9.253 ( 2.393 2.202 2.636) 4.186 9.615 ( 2.309 -0.907 -0.812) 2.610 10.271 ( -0.707 0.634 5.061) 5.149 11.124 ( 1.159 -6.715 -2.640) 7.308 11.375 ( -3.674 -1.030 -3.132) 4.936 11.765 ( -2.588 -2.735 2.735) 4.654 11.791 ( -1.615 -6.473 8.045) 10.451 12.551 ( 0.076 -3.266 -0.768) 3.356 13.060 ( 5.438 6.877 0.217) 8.770 13.126 ( 2.328 5.660 1.852) 6.394 24.399 ( -0.333 -0.210 0.475) 0.616 24.442 ( 0.643 0.016 0.173) 0.666 24.853 ( 1.331 -4.461 4.880) 6.744 25.056 ( 1.339 3.746 2.580) 4.741 25.228 ( -4.135 -2.921 0.253) 5.069 25.600 ( 2.603 -0.425 -3.424) 4.322 25.762 ( 5.406 2.477 4.120) 7.234 26.654 ( -2.527 3.590 -7.445) 8.643 ======================= Grid point 121 (44/171) ======================= q-point: ( 0.40 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( -8.229 18.381 8.871) 22.006 1.632 ( -9.218 7.760 23.067) 26.025 2.236 ( -8.814 11.465 10.155) 17.671 2.361 ( -4.735 9.656 1.294) 10.833 2.759 ( -2.027 5.568 2.545) 6.449 2.834 ( -4.752 5.452 2.683) 7.715 3.021 ( -0.555 2.189 -1.732) 2.846 3.182 ( 8.650 -2.790 -4.000) 9.930 3.527 ( 1.144 -0.338 8.268) 8.354 3.824 ( -0.445 -8.286 8.295) 11.734 3.971 ( -0.570 3.186 9.385) 9.927 4.158 ( 2.416 3.956 9.426) 10.504 4.218 ( -0.378 -1.335 -2.805) 3.129 4.740 ( 0.596 2.168 2.859) 3.638 4.791 ( 1.835 -0.679 5.989) 6.301 4.982 ( -0.710 -5.842 -10.406) 11.955 5.139 ( -2.580 2.721 -2.006) 4.252 5.258 ( -6.799 -0.513 2.512) 7.266 5.517 ( -2.367 2.967 1.307) 4.015 5.871 ( 3.710 3.039 -5.521) 7.313 6.761 ( 4.122 0.194 -15.307) 15.853 6.928 ( -1.435 2.338 -14.664) 14.918 7.182 ( -1.667 -0.545 -7.615) 7.814 7.230 ( 6.181 -1.993 -2.993) 7.151 9.256 ( 2.288 2.549 1.868) 3.902 9.548 ( 3.595 -0.972 -1.067) 3.874 10.341 ( -1.409 0.975 5.856) 6.102 11.015 ( 1.435 -6.271 -2.727) 6.987 11.396 ( -2.713 -1.177 -2.146) 3.654 11.807 ( -3.277 -0.959 -0.003) 3.415 11.816 ( -2.216 -5.607 5.339) 8.054 12.502 ( -0.151 -4.292 -2.016) 4.744 13.042 ( 5.632 6.995 1.497) 9.104 13.170 ( 1.129 3.781 2.916) 4.906 24.402 ( -0.055 -0.395 0.135) 0.421 24.440 ( 0.150 0.346 0.721) 0.814 24.838 ( 0.328 -1.731 2.099) 2.740 25.075 ( 2.253 3.295 -0.254) 3.999 25.268 ( -3.752 -2.899 1.017) 4.850 25.504 ( 3.566 -4.028 0.007) 5.380 25.740 ( 5.734 6.613 1.649) 8.907 26.674 ( -2.924 0.807 -4.867) 5.734 ======================= Grid point 122 (45/171) ======================= q-point: ( 0.50 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( -3.960 13.641 7.200) 15.925 1.991 ( -5.602 6.356 17.826) 19.736 2.422 ( -4.669 7.745 -4.232) 9.985 2.506 ( 5.065 -2.107 2.513) 6.034 2.702 ( -1.708 -0.029 -3.571) 3.958 2.873 ( 3.409 -4.006 7.827) 9.430 3.016 ( 1.228 1.677 -8.299) 8.555 3.212 ( -3.232 5.608 10.120) 12.012 3.582 ( -0.505 2.739 2.868) 3.998 3.865 ( 6.623 3.811 1.497) 7.787 3.961 ( -0.848 -1.800 9.241) 9.453 4.167 ( -1.457 -1.779 -2.820) 3.639 4.376 ( -1.172 3.171 14.045) 14.446 4.734 ( 4.895 -3.530 0.998) 6.117 4.857 ( -3.094 1.910 3.747) 5.221 4.911 ( -4.808 6.404 2.560) 8.407 5.204 ( -4.225 -5.103 -0.727) 6.665 5.366 ( -6.938 -1.782 -1.859) 7.400 5.522 ( 3.323 -0.995 -3.713) 5.080 5.774 ( 5.193 0.966 -1.329) 5.446 6.606 ( 2.005 0.944 -9.076) 9.342 6.756 ( 6.176 0.451 -16.102) 17.251 7.146 ( 1.534 1.802 1.171) 2.640 7.213 ( -5.418 1.036 -8.495) 10.129 9.257 ( 1.744 2.073 1.020) 2.895 9.472 ( 3.294 -0.751 -0.963) 3.513 10.417 ( -1.056 0.968 4.640) 4.856 10.923 ( 0.610 -4.510 -1.896) 4.930 11.407 ( -1.380 -0.934 -0.531) 1.749 11.837 ( -2.449 -6.861 5.780) 9.299 11.850 ( -2.776 2.769 -3.769) 5.438 12.446 ( -1.116 -4.759 -3.293) 5.894 13.030 ( 4.823 4.927 1.524) 7.061 13.199 ( 1.722 2.281 2.492) 3.792 24.402 ( -0.402 -0.285 0.043) 0.495 24.448 ( 0.279 0.314 0.773) 0.880 24.833 ( 0.967 -0.057 1.010) 1.400 25.043 ( 1.926 0.949 -3.107) 3.776 25.311 ( -4.449 -4.164 1.240) 6.219 25.431 ( 3.397 -2.779 4.414) 6.225 25.726 ( 5.868 9.293 -0.909) 11.028 26.683 ( -2.623 -1.616 -3.410) 4.596 ======================= Grid point 123 (46/171) ======================= q-point: ( 0.60 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.937 ( 3.025 4.361 2.489) 5.862 2.118 ( 6.992 -0.108 -5.113) 8.662 2.371 ( 2.923 2.465 11.516) 12.134 2.538 ( -3.705 5.392 -2.335) 6.946 2.742 ( -6.450 -3.688 -8.983) 11.658 2.867 ( -0.214 -1.121 7.503) 7.589 2.975 ( 3.536 -1.152 4.558) 5.883 3.346 ( 2.484 1.374 12.854) 13.164 3.637 ( -1.100 4.496 -0.394) 4.645 3.791 ( 9.091 9.020 -0.764) 12.829 3.932 ( 5.905 -0.198 1.077) 6.005 4.223 ( -4.003 -2.377 2.058) 5.091 4.482 ( -1.823 -2.070 6.717) 7.261 4.649 ( 3.912 0.627 -3.440) 5.247 4.935 ( -4.989 -0.058 2.967) 5.805 5.056 ( 7.226 -3.705 -5.232) 9.660 5.183 ( -7.195 0.430 0.685) 7.241 5.324 ( 6.110 -3.465 -7.977) 10.629 5.471 ( -8.525 -3.493 -0.523) 9.227 5.769 ( 1.674 5.434 6.415) 8.572 6.578 ( 0.998 0.751 -4.161) 4.345 6.590 ( -0.219 1.395 -2.524) 2.892 7.154 ( 0.683 1.329 0.879) 1.734 7.252 ( -4.570 1.822 -6.913) 8.485 9.253 ( 1.356 1.028 0.304) 1.729 9.423 ( 1.458 -0.061 -0.130) 1.465 10.448 ( 0.860 -0.106 1.074) 1.379 10.893 ( -1.542 -1.451 0.557) 2.190 11.418 ( -0.704 -0.286 0.755) 1.071 11.854 ( -1.966 -5.438 4.824) 7.530 11.892 ( -2.035 4.189 -4.290) 6.332 12.396 ( -2.626 -5.042 -4.631) 7.333 13.000 ( 4.578 2.557 0.991) 5.336 13.197 ( 2.332 0.785 1.509) 2.886 24.412 ( -0.917 -0.039 0.119) 0.926 24.445 ( 0.965 0.089 0.406) 1.051 24.816 ( 2.133 0.328 0.999) 2.378 25.016 ( -1.714 0.484 -3.636) 4.049 25.341 ( -6.214 -9.733 0.288) 11.551 25.396 ( 6.330 2.453 7.149) 9.859 25.722 ( 5.319 11.643 -2.615) 13.064 26.676 ( -2.617 -3.864 -2.252) 5.182 ======================= Grid point 124 (47/171) ======================= q-point: (-0.30 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.797 ( 11.038 -3.806 -7.462) 13.856 1.868 ( 9.973 -3.160 -9.116) 13.876 2.508 ( -0.496 4.817 7.308) 8.766 2.629 ( -0.935 2.348 7.149) 7.582 2.754 ( -3.592 3.639 -8.210) 9.672 2.879 ( 1.097 -2.990 0.770) 3.277 2.946 ( 4.528 -4.522 11.272) 12.962 3.364 ( 6.525 -3.751 12.944) 14.973 3.689 ( 1.879 3.295 -3.960) 5.484 3.736 ( 5.829 11.971 0.457) 13.323 3.902 ( -0.152 3.964 1.366) 4.196 4.216 ( 3.338 -2.058 -4.629) 6.066 4.435 ( 6.976 -2.876 -2.979) 8.113 4.580 ( -1.277 0.285 -5.147) 5.311 4.779 ( 5.137 -12.301 -3.725) 13.841 4.865 ( 10.497 -4.561 -12.214) 16.738 5.225 ( -8.479 -0.259 3.824) 9.305 5.388 ( -7.619 1.918 -0.408) 7.868 5.566 ( -5.919 -2.881 1.303) 6.710 5.834 ( 6.033 7.478 3.399) 10.192 6.616 ( -5.463 0.983 7.417) 9.264 6.685 ( -6.467 0.783 4.381) 7.851 7.168 ( 1.058 1.340 3.850) 4.212 7.278 ( -2.976 1.382 -6.296) 7.100 9.242 ( 1.044 0.419 0.527) 1.242 9.423 ( -0.846 0.471 0.571) 1.125 10.408 ( 2.568 -0.855 -1.967) 3.346 10.949 ( -3.444 1.225 2.388) 4.367 11.438 ( -0.564 0.413 1.341) 1.512 11.870 ( -0.910 -3.786 4.665) 6.076 11.929 ( -0.863 5.606 -4.923) 7.511 12.358 ( -4.343 -5.928 -5.838) 9.385 12.944 ( 4.726 0.220 0.396) 4.747 13.164 ( 2.639 -0.396 0.378) 2.695 24.427 ( 0.244 0.081 0.075) 0.268 24.428 ( 0.332 -0.057 0.070) 0.344 24.800 ( 0.764 0.374 0.981) 1.298 25.050 ( -4.033 1.094 -2.396) 4.817 25.297 ( 3.102 -6.466 3.366) 7.922 25.404 ( -1.233 -1.148 2.761) 3.234 25.741 ( 4.732 12.803 -2.724) 13.919 26.659 ( -2.795 -5.694 -1.172) 6.450 ======================= Grid point 125 (48/171) ======================= q-point: (-0.20 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( 13.325 -3.216 -14.132) 19.688 1.570 ( 13.890 -6.919 -4.865) 16.263 2.545 ( 6.135 3.246 3.785) 7.906 2.650 ( 12.364 4.467 3.705) 13.658 2.742 ( 2.950 -2.198 -3.371) 4.989 2.858 ( -3.509 -5.065 -0.004) 6.162 2.934 ( 2.032 0.592 10.263) 10.479 3.215 ( 10.799 -9.951 5.214) 15.583 3.662 ( 3.984 7.437 1.989) 8.668 3.832 ( 1.926 10.788 -4.620) 11.893 3.884 ( 8.696 1.140 -12.875) 15.579 4.061 ( -3.223 2.633 2.104) 4.664 4.309 ( 5.893 -0.481 -1.257) 6.045 4.469 ( 1.699 -3.747 -14.868) 15.427 4.610 ( -2.382 -15.627 0.904) 15.833 4.709 ( -3.252 -2.460 -0.319) 4.090 5.332 ( -2.749 -2.236 1.006) 3.683 5.557 ( -7.490 3.801 2.960) 8.906 5.613 ( 1.883 -0.288 4.055) 4.480 5.769 ( 5.425 3.529 -4.590) 7.934 6.834 ( -6.853 0.512 15.115) 16.604 6.861 ( -10.850 0.632 0.566) 10.883 7.225 ( 0.271 2.515 9.501) 9.832 7.278 ( -1.917 0.639 -6.125) 6.450 9.239 ( 0.968 0.648 1.581) 1.963 9.462 ( -2.672 0.454 0.594) 2.774 10.334 ( 2.971 -0.437 -2.674) 4.021 11.051 ( -4.214 2.335 2.327) 5.350 11.463 ( -0.492 0.713 1.255) 1.525 11.880 ( 0.863 -2.221 4.845) 5.400 11.950 ( 0.510 7.657 -6.560) 10.095 12.326 ( -6.019 -8.501 -6.178) 12.110 12.856 ( 5.177 -1.784 -0.061) 5.476 13.113 ( 2.560 -1.013 -0.388) 2.780 24.411 ( 0.565 -0.113 -0.016) 0.577 24.431 ( 0.322 0.060 -0.140) 0.356 24.816 ( -0.976 0.882 0.568) 1.433 25.117 ( -2.923 0.776 0.448) 3.057 25.190 ( 4.757 -3.615 0.823) 6.031 25.443 ( -3.936 -2.979 1.368) 5.122 25.771 ( 4.306 11.912 -2.077) 12.836 26.637 ( -2.579 -6.596 -0.245) 7.087 ======================= Grid point 126 (49/171) ======================= q-point: (-0.10 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( 16.204 -2.869 -13.518) 21.296 1.209 ( 18.969 -5.585 -2.163) 19.892 2.246 ( 34.735 -1.696 0.651) 34.783 2.528 ( 9.083 5.525 2.999) 11.046 2.587 ( 7.077 -3.521 -2.277) 8.226 2.746 ( 7.759 -11.538 0.878) 13.932 3.016 ( 0.347 5.921 1.252) 6.062 3.134 ( -1.332 -4.904 9.548) 10.816 3.392 ( 9.833 -3.070 -21.389) 23.740 3.823 ( 1.728 7.622 11.365) 13.793 4.001 ( 1.168 12.177 -8.049) 14.643 4.104 ( -2.686 4.115 -0.610) 4.952 4.305 ( -3.759 -0.447 2.672) 4.634 4.389 ( -7.512 -3.300 -7.814) 11.331 4.551 ( -10.380 -17.446 1.487) 20.355 4.747 ( -1.355 -0.705 -0.162) 1.536 5.324 ( 1.516 -0.399 -0.223) 1.583 5.490 ( 13.596 0.371 1.163) 13.651 5.703 ( -1.008 5.158 1.526) 5.473 5.772 ( -6.398 -2.387 1.041) 6.908 7.003 ( -8.194 0.331 -1.365) 8.313 7.077 ( -6.134 -0.009 13.865) 15.161 7.257 ( -1.961 0.259 -7.107) 7.378 7.359 ( -2.658 3.225 8.900) 9.832 9.244 ( 1.301 0.910 2.012) 2.563 9.523 ( -3.746 0.251 0.326) 3.769 10.269 ( 2.557 0.180 -1.824) 3.146 11.158 ( -4.180 1.970 1.353) 4.815 11.486 ( -0.492 0.539 0.990) 1.230 11.865 ( 3.052 -1.180 3.089) 4.500 11.977 ( 1.079 12.490 -6.702) 14.215 12.278 ( -6.431 -14.157 -4.605) 16.217 12.745 ( 5.457 -2.325 -0.211) 5.935 13.061 ( 2.108 -0.894 -0.483) 2.340 24.410 ( -0.451 -0.036 0.027) 0.453 24.419 ( 0.807 0.006 -0.185) 0.828 24.850 ( -1.431 1.313 0.015) 1.942 25.039 ( 7.591 -2.261 0.721) 7.953 25.211 ( -4.739 -0.031 -0.682) 4.788 25.495 ( -4.279 -2.026 0.762) 4.796 25.797 ( 3.134 8.226 -1.148) 8.877 26.611 ( -1.661 -5.539 0.377) 5.795 ======================= Grid point 130 (50/171) ======================= q-point: ( 0.30 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.921 ( 0.000 13.689 19.139) 23.531 0.975 ( -0.000 28.825 13.480) 31.821 1.814 ( 0.000 7.383 46.550) 47.132 2.183 ( -0.000 7.231 -4.136) 8.330 2.188 ( -0.000 17.699 -8.213) 19.512 2.593 ( 0.000 2.893 11.830) 12.179 3.089 ( 0.000 1.234 9.783) 9.860 3.538 ( -0.000 -1.630 -11.962) 12.073 3.577 ( 0.000 -2.813 17.397) 17.623 3.728 ( 0.000 4.140 14.437) 15.019 4.157 ( 0.000 -9.062 -1.047) 9.122 4.366 ( -0.000 -3.800 -4.451) 5.852 4.413 ( 0.000 -9.030 -0.267) 9.034 4.625 ( 0.000 -0.735 3.416) 3.494 4.701 ( -0.000 6.213 0.732) 6.256 4.750 ( -0.000 6.090 -2.867) 6.731 4.845 ( -0.000 7.964 -1.539) 8.111 5.300 ( 0.000 4.434 5.352) 6.950 5.506 ( -0.000 15.239 -5.658) 16.256 5.618 ( -0.000 1.008 -0.358) 1.069 6.750 ( -0.000 1.870 -3.669) 4.118 6.910 ( -0.000 0.898 -18.598) 18.620 7.079 ( -0.000 -0.312 -14.918) 14.921 7.566 ( -0.000 -6.794 -12.707) 14.410 9.295 ( 0.000 1.003 4.256) 4.373 9.633 ( -0.000 -0.481 -1.324) 1.409 10.320 ( 0.000 -1.247 7.971) 8.068 11.164 ( -0.000 -4.714 -4.417) 6.460 11.324 ( -0.000 -0.501 -2.338) 2.391 11.688 ( -0.000 2.846 -5.114) 5.853 12.053 ( 0.000 -19.114 15.460) 24.584 12.584 ( 0.000 -3.690 0.402) 3.711 13.055 ( -0.000 11.998 -3.328) 12.451 13.062 ( -0.000 4.150 1.008) 4.270 24.403 ( 0.000 -0.161 0.660) 0.679 24.450 ( 0.000 -0.095 0.054) 0.109 24.958 ( 0.000 -1.608 3.361) 3.726 25.143 ( 0.000 -9.142 6.707) 11.338 25.190 ( 0.000 -0.942 -0.683) 1.164 25.577 ( -0.000 1.078 -3.934) 4.080 25.845 ( 0.000 0.537 4.581) 4.613 26.483 ( -0.000 9.530 -9.012) 13.116 ======================= Grid point 131 (51/171) ======================= q-point: ( 0.40 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.245 ( -5.034 18.484 13.873) 23.653 1.488 ( -13.188 18.027 15.733) 27.321 2.135 ( 0.661 8.900 0.120) 8.925 2.288 ( -1.825 10.825 28.907) 30.921 2.488 ( -12.284 19.614 -3.813) 23.455 2.728 ( -2.347 1.985 8.858) 9.376 3.105 ( 4.114 -1.543 2.422) 5.017 3.339 ( 8.595 -3.759 -7.077) 11.751 3.663 ( 1.598 -4.069 14.042) 14.707 3.966 ( -4.027 0.474 15.073) 15.609 4.025 ( 1.334 -7.746 7.951) 11.180 4.219 ( 3.352 -2.436 -1.520) 4.413 4.293 ( 5.771 -3.053 2.283) 6.916 4.721 ( -0.083 2.535 -1.949) 3.199 4.794 ( -4.161 5.685 -4.304) 8.256 4.855 ( -10.845 -4.308 3.233) 12.109 4.975 ( -7.327 4.557 -2.593) 9.010 5.337 ( 10.236 5.709 5.419) 12.913 5.459 ( 0.783 4.945 0.354) 5.019 5.771 ( -6.271 4.886 -3.053) 8.516 6.697 ( 3.328 0.562 -14.855) 15.233 6.770 ( -0.523 3.192 -13.066) 13.460 7.003 ( -4.997 0.059 -15.410) 16.201 7.344 ( 6.207 -4.132 -11.909) 14.051 9.309 ( 3.464 1.730 4.136) 5.665 9.596 ( 2.393 -0.571 -1.611) 2.940 10.381 ( -0.575 -0.794 8.514) 8.570 11.066 ( 1.080 -5.450 -4.716) 7.288 11.334 ( -3.270 -0.646 -1.691) 3.738 11.687 ( -1.413 3.668 -6.354) 7.471 12.010 ( -1.154 -15.278 13.341) 20.316 12.535 ( -0.109 -5.625 -1.335) 5.782 13.065 ( 4.966 8.065 0.329) 9.477 13.149 ( -0.244 6.182 0.998) 6.267 24.408 ( -0.094 -0.286 0.572) 0.646 24.445 ( 0.320 0.087 0.233) 0.405 24.922 ( 3.056 -4.402 3.825) 6.584 25.097 ( 3.087 2.191 2.164) 4.360 25.238 ( -4.963 -3.823 1.063) 6.354 25.539 ( 1.141 -0.033 -4.231) 4.383 25.836 ( 6.399 1.900 5.147) 8.429 26.533 ( -4.692 4.788 -7.514) 10.070 ======================= Grid point 132 (52/171) ======================= q-point: ( 0.50 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( -5.956 17.295 10.596) 21.139 1.937 ( -9.351 9.528 15.640) 20.562 2.219 ( -3.505 10.057 -5.425) 11.952 2.609 ( -2.045 2.550 18.943) 19.223 2.742 ( 5.962 0.175 -3.742) 7.041 2.840 ( -7.667 13.822 -1.503) 15.877 3.046 ( 3.651 -2.634 4.884) 6.642 3.143 ( 2.372 1.761 -0.223) 2.963 3.683 ( 4.124 -3.152 10.548) 11.756 3.955 ( -0.270 -5.310 7.345) 9.067 4.052 ( 3.010 -1.519 3.191) 4.642 4.168 ( 3.025 -0.728 -1.073) 3.291 4.421 ( -5.185 3.565 17.330) 18.437 4.776 ( -3.232 5.521 4.433) 7.783 4.808 ( 0.011 -0.076 -9.534) 9.535 4.901 ( 2.578 -3.667 5.110) 6.797 5.113 ( -8.313 1.442 -1.250) 8.529 5.302 ( 0.794 1.627 2.667) 3.223 5.523 ( 0.141 2.314 -1.080) 2.557 5.808 ( 2.148 2.061 -3.293) 4.439 6.547 ( 0.745 0.656 -10.267) 10.314 6.670 ( 2.977 2.756 -16.988) 17.465 6.996 ( -7.712 1.102 -14.025) 16.043 7.172 ( 2.800 -0.227 -5.251) 5.955 9.296 ( 3.582 1.892 3.107) 5.105 9.526 ( 3.623 -0.446 -1.711) 4.032 10.451 ( -0.498 -0.482 7.758) 7.788 10.959 ( 1.033 -4.704 -4.298) 6.454 11.374 ( -2.908 -0.428 -0.344) 2.959 11.702 ( -2.154 4.439 -7.348) 8.851 11.993 ( -1.778 -12.853 10.974) 16.994 12.461 ( -0.691 -6.723 -3.198) 7.477 13.064 ( 4.876 6.668 1.097) 8.333 13.208 ( 1.004 4.624 1.775) 5.054 24.405 ( 0.145 -0.512 0.143) 0.551 24.451 ( -0.043 0.496 0.627) 0.801 24.872 ( 1.627 -2.326 2.055) 3.505 25.070 ( 4.662 2.531 -0.421) 5.321 25.286 ( -5.067 -4.907 1.225) 7.159 25.494 ( 1.095 0.418 -1.224) 1.695 25.780 ( 7.817 4.155 3.276) 9.439 26.592 ( -4.692 1.316 -5.282) 7.186 ======================= Grid point 133 (53/171) ======================= q-point: ( 0.60 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.907 ( -1.284 12.498 7.502) 14.633 2.201 ( 0.850 3.532 9.012) 9.717 2.356 ( -7.205 6.862 -4.286) 10.834 2.499 ( 9.996 -0.447 -2.755) 10.379 2.678 ( -2.219 -8.534 -3.698) 9.561 2.936 ( 3.719 4.621 4.698) 7.567 3.052 ( 1.185 3.310 10.109) 10.703 3.355 ( -9.470 6.960 5.813) 13.111 3.652 ( 4.077 -1.926 7.202) 8.497 3.870 ( 10.256 5.242 -0.111) 11.519 4.067 ( 8.403 1.007 1.296) 8.562 4.180 ( -8.415 -3.329 7.231) 11.584 4.552 ( 2.514 1.194 7.013) 7.545 4.677 ( 3.289 -2.072 -6.602) 7.661 4.888 ( -0.629 -0.205 2.477) 2.563 5.015 ( -8.382 5.697 5.490) 11.526 5.199 ( 1.666 -4.475 -0.038) 4.775 5.326 ( -6.984 -2.123 -2.648) 7.765 5.421 ( 6.703 -2.212 -8.403) 10.974 5.779 ( 2.111 5.848 2.282) 6.623 6.525 ( 1.699 3.023 -10.677) 11.226 6.542 ( -3.634 -0.287 -0.709) 3.714 7.043 ( -8.257 1.949 -11.602) 14.373 7.141 ( -0.361 1.784 -2.043) 2.736 9.279 ( 2.611 1.129 1.575) 3.252 9.456 ( 3.017 0.107 -1.080) 3.207 10.493 ( 0.996 -1.163 4.702) 4.945 10.890 ( -0.540 -2.353 -2.176) 3.250 11.410 ( -1.273 0.211 0.986) 1.624 11.729 ( -2.569 5.115 -7.257) 9.242 11.988 ( -1.852 -10.390 9.024) 13.886 12.381 ( -1.932 -7.139 -4.722) 8.774 13.050 ( 4.746 4.647 0.949) 6.710 13.231 ( 2.252 2.818 1.533) 3.919 24.403 ( -0.449 -0.328 0.075) 0.561 24.458 ( 0.507 0.478 0.441) 0.824 24.854 ( 0.940 -0.412 1.537) 1.848 24.996 ( 3.884 0.850 -2.741) 4.829 25.323 ( -6.351 -8.002 0.420) 10.225 25.501 ( 2.629 4.011 3.912) 6.189 25.717 ( 7.817 6.723 -0.115) 10.311 26.626 ( -4.052 -1.660 -3.458) 5.579 ======================= Grid point 134 (54/171) ======================= q-point: (-0.30 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.971 ( 7.318 -0.707 1.340) 7.474 2.011 ( 14.423 -1.891 -5.105) 15.417 2.476 ( -2.859 5.620 -1.155) 6.410 2.562 ( -7.262 1.985 2.739) 8.011 2.628 ( -3.448 -0.396 -1.778) 3.899 2.946 ( 4.339 1.585 3.411) 5.742 3.143 ( 2.312 1.358 13.605) 13.867 3.542 ( -2.352 -0.306 4.971) 5.508 3.636 ( 2.925 0.922 4.364) 5.334 3.781 ( 9.308 9.699 -0.332) 13.447 3.942 ( 7.430 1.564 1.218) 7.690 4.273 ( 1.319 -1.283 4.540) 4.899 4.528 ( 0.447 -3.381 -1.214) 3.620 4.541 ( 7.036 1.391 -9.133) 11.613 4.948 ( 1.614 -0.479 -2.833) 3.296 4.972 ( 9.882 -6.441 -3.692) 12.360 5.129 ( -2.704 -1.787 -3.165) 4.530 5.263 ( -5.006 -2.485 -1.653) 5.828 5.464 ( -10.045 -2.941 -0.271) 10.471 5.870 ( 4.070 10.062 4.931) 11.922 6.537 ( -5.285 2.365 1.977) 6.119 6.636 ( -5.955 -0.666 4.081) 7.250 7.106 ( -6.996 1.743 -9.455) 11.890 7.164 ( -1.023 2.469 -0.477) 2.715 9.260 ( 1.468 0.378 0.480) 1.590 9.421 ( 1.090 0.709 -0.059) 1.301 10.463 ( 2.968 -2.062 0.712) 3.684 10.903 ( -2.626 0.454 0.583) 2.728 11.436 ( -0.143 0.975 1.366) 1.684 11.771 ( -2.419 5.454 -5.725) 8.269 11.990 ( -1.114 -7.375 7.145) 10.328 12.314 ( -3.609 -7.428 -5.355) 9.843 13.013 ( 4.812 2.488 0.542) 5.444 13.215 ( 3.160 1.120 0.764) 3.439 24.414 ( -0.909 0.001 0.078) 0.912 24.449 ( 1.231 0.240 0.158) 1.264 24.840 ( 2.807 0.393 1.938) 3.434 24.958 ( -2.211 0.631 -3.473) 4.165 25.345 ( -7.001 -10.177 0.179) 12.354 25.508 ( 7.923 4.186 6.589) 11.122 25.677 ( 5.150 10.874 -3.194) 12.448 26.640 ( -3.927 -4.273 -1.959) 6.125 ======================= Grid point 135 (55/171) ======================= q-point: (-0.20 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( 15.421 -4.060 -5.481) 16.862 1.810 ( 10.160 -6.085 -1.281) 11.912 2.546 ( -1.231 2.611 0.311) 2.903 2.659 ( -2.789 5.339 -3.065) 6.758 2.760 ( -5.078 0.668 6.165) 8.015 2.867 ( 6.694 0.696 -1.894) 6.991 3.197 ( 6.210 -2.823 17.823) 19.084 3.462 ( 7.290 -6.101 -7.753) 12.267 3.666 ( 1.821 6.492 5.458) 8.674 3.739 ( 7.890 12.333 -0.428) 14.648 3.914 ( 2.229 2.969 -0.738) 3.785 4.131 ( 9.960 -5.343 -2.311) 11.537 4.401 ( 6.614 3.294 -2.182) 7.704 4.454 ( 2.062 -3.254 -7.596) 8.517 4.735 ( 5.222 -6.044 -3.087) 8.563 4.752 ( 2.833 -12.235 -0.755) 12.582 5.290 ( -7.440 -1.225 3.700) 8.399 5.361 ( -10.354 2.755 -2.501) 11.002 5.581 ( -7.360 -2.255 0.516) 7.715 5.852 ( 10.708 7.743 -0.058) 13.214 6.707 ( -8.702 0.346 1.758) 8.885 6.809 ( -8.450 1.266 10.322) 13.400 7.144 ( -4.891 0.945 -8.835) 10.142 7.223 ( -1.977 3.266 2.259) 4.436 9.252 ( 0.578 0.599 0.452) 0.947 9.429 ( -0.977 0.723 0.218) 1.235 10.386 ( 3.658 -1.643 -0.683) 4.068 10.977 ( -3.710 2.016 0.990) 4.337 11.457 ( 0.049 1.363 0.819) 1.591 11.821 ( -1.213 5.784 -3.272) 6.755 11.984 ( 0.575 -4.358 4.094) 6.007 12.273 ( -5.481 -8.331 -3.900) 10.708 12.949 ( 5.069 0.294 0.181) 5.081 13.168 ( 3.387 -0.138 0.077) 3.391 24.428 ( -0.284 0.190 0.023) 0.342 24.429 ( 1.149 -0.023 0.012) 1.149 24.816 ( 1.466 0.662 0.732) 1.768 25.015 ( -5.463 0.967 -1.446) 5.733 25.332 ( -0.869 -9.254 1.006) 9.349 25.450 ( 4.894 2.492 2.137) 5.893 25.706 ( 4.124 12.623 -1.349) 13.348 26.642 ( -3.909 -6.200 -0.728) 7.365 ======================= Grid point 136 (56/171) ======================= q-point: (-0.10 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.340 ( 15.854 -4.273 -0.000) 16.420 1.538 ( 14.325 -7.032 -0.000) 15.958 2.575 ( 2.272 4.104 -0.000) 4.690 2.671 ( 15.617 1.722 -0.000) 15.711 2.703 ( 3.728 2.684 -0.000) 4.594 2.872 ( -4.618 -6.459 0.000) 7.940 3.107 ( 13.905 -4.377 -0.000) 14.577 3.203 ( 2.348 -4.265 -0.000) 4.869 3.624 ( 19.056 -2.766 -0.000) 19.256 3.782 ( 4.904 12.870 -0.000) 13.773 3.826 ( -4.624 9.343 0.000) 10.424 4.147 ( -10.548 -0.546 0.000) 10.562 4.209 ( 14.696 2.146 -0.000) 14.852 4.360 ( -0.222 -5.795 -0.000) 5.799 4.622 ( -4.083 -16.377 -0.000) 16.878 4.707 ( -3.672 -1.416 0.000) 3.936 5.339 ( -1.696 -2.393 0.000) 2.933 5.583 ( -9.895 3.865 0.000) 10.623 5.673 ( -5.442 -0.565 0.000) 5.472 5.702 ( 13.674 4.087 -0.000) 14.272 6.852 ( -8.765 -0.035 0.000) 8.765 7.026 ( -8.576 1.254 0.000) 8.667 7.166 ( -2.790 0.274 0.000) 2.803 7.313 ( -2.764 3.797 0.000) 4.696 9.255 ( 0.575 1.167 -0.000) 1.301 9.467 ( -2.695 0.489 0.000) 2.739 10.313 ( 3.393 -0.617 -0.000) 3.449 11.070 ( -4.222 2.573 0.000) 4.944 11.474 ( -0.262 1.124 0.000) 1.155 11.876 ( 0.604 7.427 0.000) 7.452 11.943 ( 2.322 -2.388 -0.000) 3.331 12.268 ( -6.718 -10.179 0.000) 12.197 12.856 ( 5.460 -1.669 -0.000) 5.709 13.110 ( 2.933 -0.836 -0.000) 3.050 24.411 ( 0.555 -0.148 -0.000) 0.575 24.429 ( 0.483 0.158 -0.000) 0.508 24.821 ( -0.574 1.066 0.000) 1.211 25.115 ( -6.040 0.534 0.000) 6.064 25.204 ( 7.760 -3.650 -0.000) 8.576 25.455 ( -3.352 -2.359 0.000) 4.099 25.754 ( 4.258 11.794 0.000) 12.539 26.633 ( -3.273 -6.916 0.000) 7.651 ======================= Grid point 139 (57/171) ======================= q-point: ( 0.20 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( 18.149 0.000 9.876) 20.662 1.438 ( 18.756 0.000 18.632) 26.437 1.929 ( 15.473 0.000 28.890) 32.773 2.207 ( 13.893 -0.000 -7.306) 15.697 2.374 ( 12.430 0.000 -3.597) 12.940 2.680 ( 6.184 0.000 11.221) 12.812 3.005 ( -6.143 -0.000 -1.509) 6.326 3.282 ( -10.754 -0.000 1.379) 10.842 3.660 ( 0.327 0.000 3.303) 3.319 3.829 ( 8.774 0.000 27.134) 28.517 4.241 ( -5.550 0.000 3.146) 6.380 4.281 ( -2.648 -0.000 -5.391) 6.006 4.300 ( -4.737 0.000 3.238) 5.738 4.354 ( -3.561 -0.000 -2.741) 4.494 4.711 ( 2.659 -0.000 -1.962) 3.304 4.824 ( -10.598 0.000 5.948) 12.153 5.258 ( 11.067 0.000 1.177) 11.130 5.312 ( 5.834 0.000 0.204) 5.838 5.418 ( 10.354 -0.000 -14.206) 17.578 5.778 ( 4.479 0.000 2.316) 5.043 6.774 ( -5.342 -0.000 -17.851) 18.633 6.845 ( 6.328 -0.000 -13.388) 14.808 7.197 ( 4.653 -0.000 -10.598) 11.574 7.309 ( -15.516 -0.000 -7.870) 17.398 9.203 ( -1.394 0.000 1.947) 2.395 9.566 ( -3.719 -0.000 -1.533) 4.022 10.354 ( 0.911 0.000 7.379) 7.435 11.156 ( -3.229 -0.000 -4.774) 5.764 11.420 ( 2.535 -0.000 -2.897) 3.850 11.702 ( 1.984 -0.000 -5.795) 6.125 12.362 ( -1.504 0.000 8.709) 8.838 12.518 ( -10.167 0.000 11.388) 15.266 12.675 ( 3.483 0.000 1.800) 3.921 13.047 ( 1.106 0.000 0.249) 1.134 24.416 ( 0.589 0.000 0.570) 0.820 24.426 ( -1.043 -0.000 0.289) 1.082 24.906 ( -2.713 0.000 1.338) 3.025 24.992 ( -2.560 0.000 2.639) 3.677 25.291 ( -2.578 -0.000 0.996) 2.764 25.504 ( -3.251 -0.000 -2.676) 4.211 25.870 ( 1.804 0.000 4.292) 4.656 26.502 ( 4.322 -0.000 -5.248) 6.798 ======================= Grid point 141 (58/171) ======================= q-point: ( 0.40 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( -0.000 26.606 15.414) 30.748 1.217 ( 0.000 11.181 17.947) 21.145 2.059 ( -0.000 20.598 -8.471) 22.272 2.067 ( -0.000 6.467 -7.498) 9.901 2.533 ( 0.000 3.056 39.472) 39.590 2.792 ( 0.000 -1.540 12.416) 12.511 3.157 ( -0.000 1.946 1.502) 2.458 3.360 ( -0.000 -1.153 -10.122) 10.187 3.864 ( 0.000 -7.514 16.403) 18.042 4.053 ( 0.000 3.515 24.067) 24.322 4.154 ( 0.000 -10.457 -0.882) 10.494 4.304 ( 0.000 -4.257 -2.165) 4.776 4.414 ( 0.000 -7.345 0.805) 7.389 4.667 ( -0.000 2.047 -3.359) 3.934 4.710 ( 0.000 1.636 7.745) 7.916 4.736 ( -0.000 9.805 -0.039) 9.805 4.819 ( -0.000 9.287 -1.336) 9.383 5.399 ( 0.000 4.048 4.004) 5.694 5.513 ( 0.000 6.385 6.571) 9.163 5.607 ( -0.000 0.867 -1.113) 1.411 6.577 ( -0.000 1.304 -22.221) 22.259 6.661 ( -0.000 1.122 -7.749) 7.830 6.830 ( -0.000 0.453 -15.180) 15.187 7.295 ( -0.000 -2.398 -20.047) 20.190 9.367 ( 0.000 0.867 4.618) 4.698 9.605 ( -0.000 -0.215 -2.254) 2.264 10.467 ( 0.000 -1.820 10.193) 10.354 11.076 ( -0.000 -3.690 -6.723) 7.669 11.300 ( -0.000 -0.256 -0.294) 0.390 11.594 ( -0.000 2.439 -6.554) 6.993 12.267 ( 0.000 -17.215 11.829) 20.887 12.588 ( 0.000 -6.351 -0.004) 6.351 13.021 ( -0.000 12.401 -1.206) 12.460 13.070 ( -0.000 5.641 -0.199) 5.644 24.415 ( 0.000 -0.145 0.810) 0.823 24.449 ( -0.000 -0.111 -0.090) 0.143 25.011 ( 0.000 -0.258 3.414) 3.424 25.175 ( -0.000 -1.049 -1.216) 1.606 25.229 ( 0.000 -7.915 4.514) 9.112 25.509 ( -0.000 -0.254 -4.580) 4.587 25.927 ( 0.000 1.595 5.718) 5.937 26.356 ( -0.000 7.225 -7.377) 10.326 ======================= Grid point 142 (59/171) ======================= q-point: ( 0.50 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( -2.070 17.071 14.422) 22.443 1.725 ( -12.696 18.890 14.383) 26.923 2.041 ( 1.259 11.450 -7.937) 13.989 2.365 ( -12.770 21.539 -8.294) 26.378 2.804 ( 1.734 0.755 25.028) 25.099 2.842 ( -0.033 -4.752 5.332) 7.143 3.160 ( 4.056 1.428 5.387) 6.893 3.227 ( 6.396 -0.722 -5.049) 8.181 3.869 ( 1.432 -8.102 9.848) 12.833 4.076 ( -2.491 -8.945 2.177) 9.537 4.132 ( 6.586 -2.750 2.338) 7.511 4.291 ( 7.277 -2.111 5.555) 9.395 4.400 ( -9.203 0.572 12.668) 15.668 4.704 ( -1.158 4.509 -0.143) 4.657 4.742 ( -0.127 4.186 -0.018) 4.188 4.934 ( -6.845 5.417 -2.204) 9.004 4.948 ( -5.304 0.901 8.742) 10.265 5.415 ( 11.273 3.592 2.806) 12.160 5.484 ( -0.334 4.417 2.873) 5.280 5.736 ( -4.221 3.329 -3.364) 6.341 6.436 ( -1.620 1.232 -14.693) 14.833 6.576 ( 3.170 1.874 -12.902) 13.417 6.767 ( -4.571 0.882 -12.170) 13.030 7.120 ( -0.148 -0.846 -15.317) 15.341 9.378 ( 3.790 1.138 4.409) 5.924 9.564 ( 2.442 -0.088 -2.498) 3.495 10.530 ( 0.033 -1.764 9.982) 10.136 10.974 ( 0.725 -4.102 -6.891) 8.053 11.329 ( -2.706 -0.009 1.204) 2.962 11.578 ( -1.376 3.045 -7.213) 7.950 12.201 ( -0.385 -14.985 10.679) 18.405 12.506 ( -0.254 -8.477 -2.421) 8.819 13.069 ( 4.076 8.510 0.191) 9.437 13.157 ( -1.039 7.223 0.150) 7.299 24.416 ( 0.317 -0.413 0.482) 0.710 24.449 ( -0.158 0.191 0.176) 0.304 24.974 ( 4.098 -4.038 2.751) 6.377 25.119 ( 3.444 1.660 0.642) 3.877 25.266 ( -4.572 -4.384 2.541) 6.825 25.468 ( -0.078 0.174 -4.630) 4.634 25.920 ( 7.498 1.736 5.260) 9.322 26.421 ( -6.339 4.714 -6.449) 10.198 ======================= Grid point 143 (60/171) ======================= q-point: ( 0.60 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.790 ( -3.441 15.967 10.630) 19.488 2.119 ( -7.046 8.345 -5.215) 12.103 2.156 ( -5.246 14.515 10.298) 18.554 2.618 ( -3.348 2.900 -8.726) 9.786 2.726 ( 10.223 -4.153 -2.532) 11.321 2.942 ( -5.628 4.108 8.869) 11.279 3.122 ( 5.369 3.729 4.854) 8.142 3.196 ( -1.235 1.723 5.716) 6.096 3.828 ( 3.529 -5.427 6.680) 9.302 4.000 ( 9.267 2.814 -1.559) 9.809 4.131 ( -4.921 -4.620 7.521) 10.106 4.210 ( 3.826 -0.193 5.326) 6.560 4.587 ( -5.409 -2.901 2.474) 6.618 4.684 ( 4.124 2.233 -5.061) 6.900 4.883 ( -7.039 2.013 5.531) 9.175 4.988 ( 6.417 3.732 5.418) 9.191 5.118 ( -10.193 -1.654 3.786) 10.999 5.338 ( 4.918 1.091 1.882) 5.378 5.476 ( 5.647 1.612 -4.412) 7.345 5.747 ( 1.237 6.225 -3.911) 7.455 6.427 ( 0.358 2.827 -10.198) 10.588 6.444 ( -4.213 0.618 -6.814) 8.035 6.808 ( -7.855 1.223 -6.598) 10.331 7.063 ( -3.011 1.337 -7.890) 8.550 9.347 ( 4.460 0.707 3.041) 5.444 9.495 ( 3.478 0.491 -2.019) 4.051 10.576 ( 1.100 -2.200 7.587) 7.976 10.881 ( -0.167 -2.749 -5.389) 6.052 11.390 ( -2.156 0.588 2.273) 3.187 11.586 ( -2.647 3.661 -6.842) 8.199 12.152 ( -0.640 -12.536 8.762) 15.308 12.401 ( -1.237 -9.397 -4.337) 10.424 13.076 ( 4.422 6.505 0.491) 7.881 13.227 ( 0.777 5.446 0.681) 5.544 24.407 ( 0.252 -0.589 0.088) 0.647 24.459 ( -0.091 0.534 0.369) 0.656 24.899 ( 2.216 -2.716 1.343) 3.754 25.063 ( 6.426 2.172 -0.412) 6.795 25.305 ( -5.727 -7.762 1.056) 9.704 25.471 ( -0.502 4.978 -1.418) 5.200 25.833 ( 9.173 2.554 2.924) 9.961 26.517 ( -6.060 1.478 -3.739) 7.272 ======================= Grid point 144 (61/171) ======================= q-point: ( 0.70 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.012 ( 2.370 11.944 4.618) 13.023 2.288 ( -6.414 4.633 -3.097) 8.496 2.307 ( 11.647 -1.386 3.861) 12.349 2.479 ( -0.436 3.225 1.549) 3.604 2.564 ( -2.078 -3.698 -8.066) 9.113 3.042 ( 4.892 1.481 4.653) 6.912 3.212 ( -1.365 2.244 8.861) 9.242 3.366 ( -10.361 9.263 -3.286) 14.281 3.775 ( 3.266 -3.448 5.259) 7.086 3.866 ( 11.093 6.294 -0.476) 12.763 4.088 ( 7.870 0.261 2.694) 8.323 4.320 ( -4.659 -1.493 7.472) 8.931 4.565 ( 4.840 -2.031 -5.426) 7.549 4.592 ( 3.867 0.148 -1.595) 4.185 4.939 ( 0.299 0.413 4.526) 4.554 5.024 ( -1.654 2.220 -4.114) 4.959 5.198 ( 6.693 -5.713 0.095) 8.801 5.296 ( 4.818 -2.026 -3.361) 6.215 5.312 ( -7.776 -2.235 -1.554) 8.238 5.836 ( 0.508 11.358 3.279) 11.832 6.441 ( -4.747 2.919 1.201) 5.701 6.521 ( -7.967 0.696 -4.710) 9.281 6.912 ( -7.778 0.338 -3.293) 8.454 7.093 ( -3.012 2.640 -2.850) 4.915 9.301 ( 3.250 -0.030 0.860) 3.362 9.441 ( 2.681 1.145 -0.584) 2.973 10.552 ( 3.135 -3.271 2.279) 5.072 10.860 ( -2.187 -0.163 -1.256) 2.527 11.434 ( -0.156 1.362 1.526) 2.052 11.634 ( -3.665 4.287 -3.906) 6.860 12.111 ( -0.503 -9.562 5.637) 11.112 12.305 ( -2.986 -9.561 -4.087) 10.818 13.059 ( 4.664 4.522 0.295) 6.503 13.247 ( 2.463 3.193 0.486) 4.062 24.404 ( -0.481 -0.353 0.030) 0.597 24.462 ( 0.670 0.540 0.138) 0.871 24.877 ( -0.399 -0.746 1.158) 1.434 24.960 ( 6.316 0.938 -1.539) 6.568 25.327 ( -7.049 -9.712 0.121) 12.001 25.544 ( 0.929 9.342 1.325) 9.481 25.721 ( 9.857 3.478 0.338) 10.458 26.584 ( -4.954 -1.805 -1.538) 5.493 ======================= Grid point 145 (62/171) ======================= q-point: (-0.20 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.961 ( 18.365 -4.559 -0.000) 18.923 1.992 ( 7.595 -0.911 -0.000) 7.650 2.461 ( -6.670 2.516 0.000) 7.128 2.545 ( -4.378 1.937 0.000) 4.788 2.652 ( -5.368 5.416 0.000) 7.626 2.974 ( 6.736 1.297 -0.000) 6.860 3.301 ( -1.694 2.359 0.000) 2.905 3.504 ( 0.014 1.168 0.000) 1.168 3.718 ( 3.418 -1.606 -0.000) 3.777 3.779 ( 8.962 10.263 -0.000) 13.625 3.973 ( 7.292 0.607 -0.000) 7.317 4.362 ( 12.210 -2.517 -0.000) 12.467 4.395 ( 0.192 2.490 0.000) 2.497 4.503 ( 2.843 -3.217 -0.000) 4.293 4.903 ( 10.237 -1.376 -0.000) 10.329 4.948 ( 7.918 -6.822 -0.000) 10.451 5.118 ( -10.106 -0.220 0.000) 10.109 5.246 ( -5.049 -3.245 0.000) 6.002 5.462 ( -10.245 -2.729 0.000) 10.603 5.908 ( 6.512 10.904 -0.000) 12.701 6.584 ( -7.641 0.123 0.000) 7.642 6.670 ( -10.067 2.921 0.000) 10.482 7.009 ( -6.191 0.045 0.000) 6.191 7.159 ( -2.519 3.222 0.000) 4.090 9.264 ( 1.464 0.082 -0.000) 1.466 9.421 ( 0.948 1.066 -0.000) 1.426 10.469 ( 3.819 -2.827 -0.000) 4.752 10.908 ( -3.105 1.235 0.000) 3.341 11.451 ( 0.514 1.716 0.000) 1.791 11.721 ( -2.989 4.892 0.000) 5.733 12.060 ( 0.030 -6.491 -0.000) 6.491 12.258 ( -4.676 -9.173 0.000) 10.296 13.017 ( 4.861 2.471 -0.000) 5.453 13.221 ( 3.456 1.242 -0.000) 3.673 24.415 ( -0.901 0.015 0.000) 0.901 24.450 ( 1.318 0.299 -0.000) 1.352 24.864 ( 4.579 0.575 -0.000) 4.615 24.922 ( -3.810 0.506 0.000) 3.844 25.347 ( -7.268 -10.383 0.000) 12.674 25.581 ( 11.005 3.627 -0.000) 11.587 25.632 ( 2.503 11.954 0.000) 12.213 26.623 ( -4.452 -4.518 0.000) 6.343 ======================= Grid point 149 (63/171) ======================= q-point: ( 0.20 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.364 ( 15.588 -4.539 7.863) 18.039 1.810 ( 9.140 -2.103 14.944) 17.643 2.254 ( 10.262 -0.299 6.004) 11.893 2.503 ( 15.671 2.155 6.058) 16.939 2.622 ( 12.428 -7.938 0.285) 14.750 2.795 ( -1.372 2.072 -2.543) 3.556 2.877 ( -4.650 -5.334 1.113) 7.163 3.123 ( -5.327 0.697 1.574) 5.598 3.664 ( -3.304 1.616 6.606) 7.560 4.038 ( -5.712 12.449 -1.765) 13.810 4.116 ( -1.876 3.746 3.756) 5.627 4.246 ( 1.383 1.709 8.315) 8.601 4.290 ( 4.584 0.408 11.014) 11.937 4.454 ( 0.522 -16.240 2.253) 16.404 4.711 ( -1.778 -2.632 -2.364) 3.959 4.777 ( -2.616 -1.490 9.748) 10.202 5.322 ( 0.689 1.841 -1.496) 2.470 5.434 ( 6.573 -1.943 -1.377) 6.992 5.465 ( 5.216 0.536 -7.495) 9.147 5.812 ( -0.669 1.248 -3.330) 3.618 6.593 ( -1.979 -0.007 -8.923) 9.140 6.751 ( -0.826 0.154 -22.551) 22.567 7.097 ( -5.468 -0.285 1.497) 5.676 7.202 ( 5.923 -0.015 -10.252) 11.840 9.208 ( -0.017 -0.383 1.569) 1.615 9.489 ( -3.598 0.139 -1.929) 4.085 10.426 ( 0.944 0.544 7.466) 7.545 11.049 ( -3.928 1.260 -5.105) 6.563 11.428 ( 0.806 0.153 -1.830) 2.005 11.685 ( 1.043 -1.741 -6.844) 7.139 12.305 ( -2.276 12.224 9.775) 15.816 12.516 ( -6.088 -5.306 6.199) 10.181 12.778 ( 3.544 -3.814 2.247) 5.670 13.076 ( 1.150 -2.080 -0.467) 2.422 24.414 ( -0.367 0.230 0.356) 0.561 24.430 ( 0.268 -0.336 0.397) 0.585 24.857 ( -3.309 0.636 0.711) 3.443 24.994 ( 1.071 -0.924 -1.694) 2.207 25.258 ( -2.965 -0.764 1.850) 3.577 25.436 ( -4.014 -2.674 -2.528) 5.446 25.902 ( 3.033 8.908 5.214) 10.758 26.546 ( 2.089 -5.356 -4.187) 7.112 ======================= Grid point 150 (64/171) ======================= q-point: ( 0.30 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( 14.076 0.000 12.754) 18.995 1.640 ( 18.883 0.000 8.654) 20.772 2.074 ( 15.511 0.000 -5.587) 16.486 2.304 ( 14.862 0.000 -5.260) 15.765 2.492 ( 2.339 0.000 34.480) 34.560 2.878 ( 2.467 0.000 13.047) 13.279 2.967 ( -9.612 -0.000 -2.397) 9.906 3.215 ( -8.186 -0.000 -7.310) 10.975 3.838 ( -4.645 0.000 15.633) 16.308 4.178 ( -5.121 -0.000 -4.416) 6.763 4.241 ( -9.657 -0.000 -1.396) 9.757 4.291 ( 11.905 0.000 22.414) 25.379 4.328 ( -2.154 0.000 3.422) 4.043 4.375 ( -1.464 0.000 4.729) 4.951 4.663 ( 2.541 -0.000 -3.661) 4.456 4.900 ( -3.880 0.000 3.553) 5.261 5.230 ( 14.550 -0.000 -6.219) 15.823 5.286 ( 4.889 0.000 2.150) 5.341 5.352 ( 0.420 0.000 1.484) 1.542 5.777 ( 1.859 -0.000 -4.447) 4.820 6.536 ( 0.019 -0.000 -10.272) 10.272 6.602 ( -2.047 -0.000 -16.673) 16.799 6.981 ( 7.545 -0.000 -15.544) 17.279 7.180 ( -6.043 -0.000 -8.545) 10.466 9.256 ( -3.253 0.000 4.407) 5.478 9.533 ( -3.733 -0.000 -2.626) 4.564 10.488 ( 0.123 0.000 9.341) 9.341 11.065 ( -2.798 -0.000 -6.663) 7.227 11.385 ( 2.787 -0.000 -1.359) 3.101 11.603 ( 1.459 -0.000 -6.464) 6.627 12.501 ( -2.402 0.000 8.256) 8.598 12.638 ( -7.219 0.000 4.362) 8.434 12.715 ( 3.247 0.000 3.474) 4.756 13.034 ( 1.223 -0.000 -2.043) 2.381 24.425 ( 0.421 0.000 0.588) 0.723 24.431 ( -0.887 0.000 0.360) 0.957 24.932 ( -3.800 0.000 1.966) 4.279 25.019 ( -4.774 -0.000 0.829) 4.846 25.309 ( -2.248 0.000 1.314) 2.604 25.457 ( -2.981 -0.000 -3.132) 4.324 25.952 ( 2.354 0.000 6.016) 6.460 26.408 ( 5.281 -0.000 -6.599) 8.452 ======================= Grid point 152 (65/171) ======================= q-point: ( 0.50 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.455 ( -0.000 24.645 15.827) 29.289 1.485 ( 0.000 9.630 15.871) 18.564 1.906 ( -0.000 22.471 -11.143) 25.082 1.920 ( -0.000 7.486 -10.847) 13.179 2.953 ( 0.000 -6.777 7.370) 10.012 3.014 ( 0.000 -3.755 16.754) 17.169 3.206 ( 0.000 4.447 5.418) 7.010 3.243 ( -0.000 1.116 -2.200) 2.467 4.045 ( 0.000 -10.455 6.138) 12.123 4.112 ( 0.000 -6.636 -3.111) 7.329 4.323 ( 0.000 -7.064 3.949) 8.093 4.359 ( 0.000 -2.038 8.531) 8.771 4.474 ( 0.000 -1.601 9.534) 9.667 4.624 ( -0.000 2.484 -1.835) 3.088 4.729 ( -0.000 7.509 -1.021) 7.578 4.757 ( -0.000 8.592 -2.885) 9.063 4.951 ( 0.000 5.185 19.901) 20.565 5.442 ( -0.000 4.925 2.874) 5.702 5.573 ( -0.000 1.237 -3.466) 3.680 5.587 ( -0.000 3.142 -3.541) 4.734 6.287 ( -0.000 0.922 -9.797) 9.841 6.506 ( -0.000 0.527 -11.447) 11.459 6.655 ( -0.000 1.100 -4.919) 5.040 6.969 ( -0.000 -0.297 -19.920) 19.922 9.439 ( 0.000 0.654 4.428) 4.476 9.562 ( -0.000 0.077 -3.174) 3.175 10.634 ( 0.000 -2.054 10.763) 10.957 10.952 ( -0.000 -2.868 -8.749) 9.207 11.320 ( 0.000 0.276 2.824) 2.837 11.486 ( -0.000 1.786 -6.771) 7.002 12.428 ( 0.000 -15.439 8.416) 17.584 12.578 ( 0.000 -9.584 -1.548) 9.708 13.014 ( -0.000 11.839 0.377) 11.845 13.056 ( -0.000 7.774 -1.433) 7.904 24.427 ( 0.000 -0.130 0.786) 0.797 24.446 ( -0.000 -0.117 -0.340) 0.359 25.065 ( 0.000 -0.255 3.328) 3.337 25.151 ( -0.000 -0.986 -1.932) 2.169 25.295 ( 0.000 -5.659 4.072) 6.972 25.435 ( -0.000 -1.692 -4.720) 5.014 26.024 ( 0.000 2.577 6.511) 7.003 26.242 ( -0.000 5.210 -7.055) 8.770 ======================= Grid point 153 (66/171) ======================= q-point: ( 0.60 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.692 ( -0.155 15.311 12.880) 20.009 1.889 ( -1.910 11.321 -8.702) 14.406 1.942 ( -7.537 21.641 9.579) 24.838 2.213 ( -14.972 20.729 -9.456) 27.263 2.913 ( 2.627 -6.992 4.327) 8.632 2.975 ( 2.792 -6.870 -1.619) 7.591 3.236 ( 4.944 1.875 4.440) 6.905 3.264 ( 2.754 1.980 4.953) 6.003 3.962 ( 1.122 -8.230 2.498) 8.674 4.049 ( 0.432 -3.404 -2.027) 3.985 4.220 ( 2.824 -5.064 4.900) 7.591 4.347 ( 6.543 -1.913 2.355) 7.213 4.527 ( -4.438 -1.431 3.014) 5.552 4.689 ( 4.476 6.112 -1.818) 7.791 4.787 ( -8.646 0.417 3.148) 9.211 4.895 ( -6.859 5.335 -1.939) 8.903 5.185 ( 0.920 3.033 18.281) 18.554 5.435 ( 6.837 2.492 0.538) 7.297 5.501 ( 3.160 4.196 -3.838) 6.505 5.621 ( -2.292 5.999 -8.380) 10.557 6.294 ( -3.338 0.810 -2.039) 3.994 6.378 ( 3.679 1.373 -10.546) 11.253 6.689 ( -4.041 0.275 2.416) 4.716 6.890 ( -5.963 1.501 -12.096) 13.569 9.443 ( 3.979 0.327 3.447) 5.275 9.520 ( 2.253 0.665 -2.757) 3.622 10.687 ( 1.029 -2.755 9.309) 9.763 10.852 ( -0.144 -2.757 -8.154) 8.608 11.373 ( -1.787 0.867 4.135) 4.587 11.467 ( -1.888 2.177 -6.328) 6.953 12.344 ( 0.542 -13.410 6.929) 15.104 12.455 ( -0.842 -11.472 -3.917) 12.151 13.071 ( 3.623 8.420 0.085) 9.166 13.157 ( -1.263 8.229 -0.112) 8.326 24.422 ( 0.700 -0.528 0.193) 0.897 24.451 ( -0.582 0.288 0.060) 0.652 25.006 ( 4.941 -4.202 1.127) 6.583 25.122 ( 2.514 1.503 -0.068) 2.930 25.314 ( -2.936 -5.278 3.180) 6.826 25.398 ( -1.380 1.305 -3.879) 4.319 25.989 ( 9.316 1.718 2.768) 9.869 26.341 ( -8.361 4.460 -3.117) 9.976 ======================= Grid point 154 (67/171) ======================= q-point: ( 0.70 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.910 ( 0.613 16.394 0.000) 16.405 2.036 ( -9.456 8.944 0.000) 13.016 2.275 ( -3.766 18.086 0.000) 18.474 2.515 ( -7.986 -0.582 0.000) 8.007 2.701 ( 15.405 -6.657 -0.000) 16.782 2.999 ( -10.382 5.263 0.000) 11.640 3.176 ( 6.337 3.634 -0.000) 7.305 3.253 ( 0.461 -1.360 -0.000) 1.436 3.882 ( 2.264 -5.486 -0.000) 5.935 3.974 ( 7.959 3.827 -0.000) 8.831 4.226 ( 7.254 -0.849 -0.000) 7.303 4.259 ( -6.556 -1.329 0.000) 6.689 4.579 ( -3.785 -4.238 0.000) 5.682 4.645 ( 4.381 2.444 -0.000) 5.017 4.927 ( -5.855 -0.105 0.000) 5.856 5.015 ( 0.354 3.294 0.000) 3.313 5.190 ( -0.656 -2.134 -0.000) 2.233 5.358 ( 6.017 -1.449 -0.000) 6.189 5.427 ( 9.668 3.330 -0.000) 10.226 5.714 ( -2.965 10.337 0.000) 10.754 6.345 ( -4.605 2.215 0.000) 5.110 6.362 ( -3.665 2.085 0.000) 4.217 6.791 ( -6.976 -1.061 0.000) 7.056 6.975 ( -5.918 2.993 0.000) 6.632 9.377 ( 4.952 -0.353 -0.000) 4.964 9.474 ( 3.192 1.444 -0.000) 3.503 10.655 ( 3.096 -4.060 -0.000) 5.106 10.820 ( -2.027 -0.766 0.000) 2.167 11.424 ( -0.563 1.268 0.000) 1.388 11.515 ( -4.096 3.072 0.000) 5.120 12.242 ( 0.800 -11.150 -0.000) 11.178 12.346 ( -2.441 -11.601 -0.000) 11.855 13.080 ( 4.272 6.446 -0.000) 7.733 13.232 ( 0.687 5.798 0.000) 5.839 24.407 ( 0.289 -0.617 -0.000) 0.681 24.462 ( -0.097 0.534 0.000) 0.543 24.911 ( 2.308 -2.890 -0.000) 3.698 25.059 ( 7.119 2.109 -0.000) 7.425 25.315 ( -5.904 -9.654 0.000) 11.317 25.458 ( -1.016 7.399 0.000) 7.469 25.859 ( 9.705 2.104 -0.000) 9.931 26.485 ( -6.672 1.490 0.000) 6.837 ======================= Grid point 160 (68/171) ======================= q-point: ( 0.20 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.690 ( 11.783 -4.164 5.603) 13.696 2.033 ( 4.993 -3.579 6.190) 8.721 2.389 ( -2.626 4.735 -8.187) 9.815 2.541 ( 1.904 2.839 10.631) 11.167 2.725 ( 1.912 -4.994 -1.839) 5.655 2.807 ( -4.849 -3.882 -1.716) 6.444 2.999 ( 13.585 -0.985 -0.112) 13.621 3.195 ( -0.168 -2.215 14.005) 14.180 3.655 ( -1.496 -1.824 2.895) 3.734 3.841 ( -1.394 12.563 -0.931) 12.674 3.990 ( -4.758 7.411 -0.539) 8.824 4.240 ( -2.890 -1.640 -0.739) 3.404 4.412 ( -0.054 -6.349 1.977) 6.650 4.618 ( -4.661 -4.147 -3.596) 7.201 4.779 ( 6.123 -5.117 11.271) 13.809 4.935 ( 7.412 -2.696 7.717) 11.035 5.262 ( -3.733 -1.179 -0.724) 3.981 5.451 ( -0.850 3.142 -2.888) 4.351 5.510 ( 2.703 -2.121 -2.593) 4.304 5.683 ( -3.289 1.746 -11.828) 12.401 6.576 ( 0.901 1.226 -11.574) 11.674 6.589 ( 2.881 0.432 2.892) 4.105 7.091 ( 0.308 -1.288 1.151) 1.754 7.226 ( 6.219 0.168 -8.785) 10.765 9.231 ( 0.812 -0.112 1.611) 1.808 9.424 ( -2.172 0.014 -1.865) 2.863 10.484 ( 0.239 1.192 6.146) 6.265 10.936 ( -3.615 0.547 -4.483) 5.785 11.419 ( -0.321 -0.003 -0.941) 0.994 11.665 ( 0.049 -3.751 -6.813) 7.777 12.233 ( -2.057 9.878 8.158) 12.975 12.503 ( -3.896 -1.527 3.314) 5.338 12.877 ( 2.912 -2.214 1.400) 3.917 13.112 ( 0.791 -2.754 -0.862) 2.992 24.415 ( 0.270 0.008 0.208) 0.341 24.434 ( -0.378 -0.229 0.019) 0.442 24.812 ( -2.170 0.138 0.764) 2.305 25.004 ( 2.535 -0.254 -4.587) 5.247 25.246 ( -2.673 -2.698 2.652) 4.631 25.385 ( -4.444 -4.496 -2.033) 6.640 25.884 ( 3.920 13.755 4.606) 15.026 26.604 ( 0.950 -6.699 -2.587) 7.244 ======================= Grid point 161 (69/171) ======================= q-point: ( 0.30 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.506 ( 12.556 -3.980 9.718) 16.369 1.896 ( 8.406 -4.987 -0.880) 9.813 2.329 ( 14.524 5.455 1.659) 15.603 2.569 ( 11.302 -9.807 -2.300) 15.139 2.738 ( -8.366 6.414 -2.377) 10.806 2.783 ( 4.832 -0.526 21.012) 21.567 2.903 ( -9.078 -5.867 0.800) 10.838 3.166 ( 5.618 -0.895 4.043) 6.979 3.836 ( -8.237 2.291 12.459) 15.111 3.995 ( -4.786 10.497 -3.394) 12.026 4.112 ( -4.079 2.430 -0.733) 4.804 4.294 ( -0.684 1.003 2.764) 3.018 4.373 ( -5.717 -7.938 -0.306) 9.787 4.619 ( -2.077 -4.371 -0.950) 4.932 4.738 ( 7.708 -2.472 15.797) 17.750 4.901 ( 0.617 -0.617 5.737) 5.803 5.280 ( 0.574 0.949 -2.731) 2.947 5.387 ( 6.066 0.130 -2.868) 6.711 5.419 ( 3.954 -1.079 -0.774) 4.171 5.666 ( -4.807 0.042 -13.243) 14.088 6.443 ( 0.682 -0.621 -14.394) 14.423 6.554 ( 4.834 0.159 1.396) 5.034 7.008 ( 9.135 -0.145 -12.167) 15.215 7.092 ( -0.715 -0.459 -2.429) 2.574 9.252 ( -1.415 -0.216 3.753) 4.017 9.450 ( -3.357 -0.077 -3.030) 4.523 10.555 ( -0.261 0.971 8.656) 8.714 10.957 ( -3.263 0.656 -6.573) 7.368 11.409 ( 1.067 0.136 -0.268) 1.109 11.578 ( 0.844 -1.713 -6.343) 6.624 12.436 ( -3.087 10.344 6.596) 12.651 12.586 ( -4.593 -0.909 2.852) 5.482 12.823 ( 2.383 -3.596 3.362) 5.470 13.054 ( 0.971 -3.728 -2.247) 4.460 24.421 ( -0.339 0.406 0.404) 0.665 24.436 ( -0.098 -0.439 0.276) 0.528 24.874 ( -4.052 0.353 1.434) 4.313 24.966 ( -1.822 -0.403 -1.841) 2.621 25.287 ( -2.344 -1.101 1.784) 3.145 25.395 ( -3.529 -2.845 -2.562) 5.207 25.993 ( 3.164 10.703 6.050) 12.695 26.466 ( 3.485 -6.961 -5.512) 9.538 ======================= Grid point 162 (70/171) ======================= q-point: ( 0.40 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.382 ( 10.588 0.000 13.593) 17.230 1.703 ( 9.122 0.000 -2.106) 9.362 2.027 ( 23.631 0.000 1.141) 23.659 2.209 ( 18.070 0.000 -6.624) 19.246 2.925 ( -9.367 0.000 6.886) 11.626 2.993 ( -3.759 0.000 16.972) 17.383 3.038 ( -9.043 -0.000 1.434) 9.156 3.131 ( 0.964 0.000 1.967) 2.191 4.061 ( -5.706 0.000 9.765) 11.310 4.100 ( -5.228 -0.000 -3.463) 6.270 4.215 ( -8.273 -0.000 -0.920) 8.324 4.294 ( -2.217 -0.000 -1.820) 2.868 4.445 ( -1.788 0.000 4.282) 4.640 4.571 ( 2.812 -0.000 -2.299) 3.632 4.738 ( 7.870 0.000 19.420) 20.954 4.942 ( 2.004 0.000 1.799) 2.693 5.196 ( 8.593 0.000 2.358) 8.910 5.315 ( -1.356 0.000 1.162) 1.786 5.382 ( 0.095 0.000 2.140) 2.143 5.616 ( -2.357 -0.000 -14.014) 14.211 6.361 ( -3.826 -0.000 -11.598) 12.213 6.433 ( 7.381 -0.000 -6.979) 10.159 6.790 ( 7.870 -0.000 -4.207) 8.924 7.031 ( 2.174 -0.000 -10.312) 10.539 9.334 ( -3.939 0.000 5.149) 6.483 9.482 ( -3.824 -0.000 -3.816) 5.402 10.643 ( -0.671 0.000 10.069) 10.092 10.945 ( -2.143 -0.000 -8.424) 8.692 11.383 ( 2.460 0.000 1.229) 2.750 11.504 ( 1.449 -0.000 -5.844) 6.021 12.608 ( -3.500 0.000 4.973) 6.081 12.674 ( -5.029 -0.000 0.518) 5.056 12.791 ( 2.954 0.000 5.983) 6.672 12.981 ( 1.476 -0.000 -4.584) 4.816 24.433 ( 0.156 0.000 0.400) 0.430 24.436 ( -0.575 -0.000 0.202) 0.609 24.966 ( -4.773 0.000 2.224) 5.266 25.020 ( -5.464 -0.000 -0.709) 5.510 25.333 ( -2.150 0.000 1.736) 2.764 25.408 ( -2.626 -0.000 -2.965) 3.961 26.057 ( 3.191 0.000 7.169) 7.847 26.296 ( 5.008 -0.000 -7.427) 8.958 ======================= Grid point 164 (71/171) ======================= q-point: (-0.40 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.680 ( -0.000 18.877 -5.355) 19.622 1.680 ( -0.000 18.877 5.355) 19.622 1.742 ( -0.000 13.088 -4.288) 13.772 1.742 ( -0.000 13.088 4.288) 13.772 3.044 ( 0.000 -7.185 -4.654) 8.560 3.044 ( 0.000 -7.185 4.654) 8.560 3.277 ( -0.000 3.084 -0.749) 3.174 3.277 ( -0.000 3.084 0.749) 3.174 4.086 ( 0.000 -8.394 -0.472) 8.408 4.086 ( 0.000 -8.394 0.472) 8.408 4.385 ( 0.000 -6.249 -1.668) 6.468 4.385 ( 0.000 -6.249 1.668) 6.468 4.599 ( 0.000 3.897 -2.241) 4.495 4.599 ( 0.000 3.897 2.241) 4.495 4.716 ( 0.000 6.552 -0.253) 6.557 4.716 ( 0.000 6.552 0.253) 6.557 5.332 ( -0.000 4.259 -24.504) 24.871 5.332 ( 0.000 4.259 24.504) 24.871 5.504 ( -0.000 3.017 -4.531) 5.444 5.504 ( 0.000 3.017 4.531) 5.444 6.321 ( -0.000 0.269 -10.261) 10.264 6.321 ( 0.000 0.269 10.261) 10.264 6.709 ( -0.000 0.868 -11.209) 11.242 6.709 ( 0.000 0.868 11.209) 11.242 9.506 ( -0.000 0.374 -3.912) 3.930 9.506 ( 0.000 0.374 3.912) 3.930 10.802 ( -0.000 -2.344 -10.171) 10.438 10.802 ( 0.000 -2.344 10.171) 10.438 11.387 ( -0.000 1.012 -5.478) 5.571 11.387 ( 0.000 1.012 5.478) 5.571 12.531 ( 0.000 -12.927 -4.543) 13.702 12.531 ( 0.000 -12.927 4.543) 13.702 13.030 ( -0.000 10.193 -1.325) 10.279 13.030 ( -0.000 10.193 1.325) 10.279 24.439 ( -0.000 -0.121 -0.571) 0.583 24.439 ( 0.000 -0.121 0.571) 0.583 25.114 ( -0.000 -0.658 -2.637) 2.718 25.114 ( 0.000 -0.658 2.637) 2.718 25.362 ( -0.000 -3.499 -4.397) 5.619 25.362 ( 0.000 -3.499 4.397) 5.619 26.131 ( -0.000 3.720 -6.364) 7.371 26.131 ( 0.000 3.720 6.364) 7.371 ======================= Grid point 171 (72/171) ======================= q-point: ( 0.20 0.60 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.888 ( 6.007 0.437 1.296) 6.161 2.002 ( -8.791 4.981 -10.489) 14.564 2.314 ( 5.394 -4.760 3.305) 7.917 2.624 ( -3.780 -3.573 -2.695) 5.858 2.712 ( 3.321 2.985 2.026) 4.904 2.885 ( 1.494 -1.036 8.693) 8.881 3.136 ( 5.408 3.035 -0.495) 6.221 3.250 ( -9.869 -2.355 16.031) 18.972 3.666 ( 0.322 0.897 -6.154) 6.228 3.763 ( 4.154 7.042 3.951) 9.081 3.874 ( -0.124 5.412 -0.408) 5.428 4.198 ( -3.336 -2.861 -2.596) 5.104 4.367 ( -9.573 -3.785 -7.801) 12.917 4.579 ( -0.346 -3.107 -5.604) 6.417 4.882 ( -2.804 -5.335 -1.779) 6.285 5.038 ( 2.520 2.724 -3.361) 5.006 5.307 ( -4.797 3.834 0.681) 6.178 5.374 ( 5.914 -3.454 7.322) 10.026 5.511 ( -3.836 -3.054 -2.192) 5.370 5.608 ( 3.680 -0.456 -4.912) 6.155 6.604 ( 8.375 1.141 2.525) 8.821 6.695 ( 4.697 0.862 7.440) 8.840 7.123 ( 1.063 -1.233 0.642) 1.750 7.254 ( 4.886 0.517 -6.893) 8.465 9.254 ( 0.932 0.905 1.181) 1.755 9.398 ( 0.191 -0.670 -0.886) 1.127 10.489 ( -1.781 2.933 2.481) 4.235 10.871 ( -1.817 -2.461 -1.992) 3.650 11.408 ( -0.546 -0.581 -0.372) 0.879 11.655 ( -0.905 -5.482 -5.569) 7.866 12.167 ( -2.300 8.082 6.268) 10.483 12.482 ( -1.972 -0.377 1.482) 2.495 12.939 ( 2.840 0.283 0.219) 2.862 13.137 ( 0.349 -1.881 -1.202) 2.259 24.423 ( 0.398 -0.168 -0.167) 0.463 24.424 ( -0.881 -0.181 -0.156) 0.913 24.802 ( 0.121 0.294 1.225) 1.266 25.019 ( 3.624 -0.385 -4.210) 5.568 25.256 ( -2.554 -3.533 1.732) 4.691 25.346 ( -4.595 -5.651 -1.404) 7.418 25.840 ( 4.394 14.838 3.030) 15.768 26.664 ( 0.563 -5.663 -0.854) 5.754 ======================= Grid point 172 (73/171) ======================= q-point: ( 0.30 0.60 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.776 ( 8.768 -2.120 4.724) 10.183 2.072 ( 3.914 -7.618 1.271) 8.659 2.259 ( -8.436 5.248 -7.002) 12.155 2.617 ( -6.825 -6.710 -6.465) 11.550 2.686 ( 8.799 6.948 2.471) 11.481 2.958 ( 1.412 0.526 16.188) 16.258 3.040 ( 8.138 -4.701 5.189) 10.736 3.340 ( 7.169 -3.870 2.349) 8.479 3.705 ( -9.477 4.042 1.003) 10.352 3.860 ( -0.643 7.810 4.623) 9.099 3.998 ( -5.657 6.159 3.289) 8.986 4.240 ( -6.303 -1.760 0.919) 6.608 4.405 ( -4.584 -7.598 -2.062) 9.110 4.521 ( -4.840 -2.984 -8.755) 10.440 4.884 ( -3.039 -3.655 2.085) 5.191 4.978 ( 2.554 -0.171 -1.574) 3.005 5.315 ( 4.767 -1.374 5.619) 7.496 5.401 ( -1.335 5.116 -3.229) 6.195 5.466 ( 4.646 -2.255 -3.110) 6.028 5.525 ( -2.263 -2.850 -5.640) 6.713 6.473 ( 8.701 -0.475 0.692) 8.741 6.657 ( 6.054 0.316 1.367) 6.214 7.078 ( 7.878 0.148 -7.269) 10.720 7.097 ( 1.988 -0.836 -1.151) 2.444 9.266 ( -0.108 0.460 2.578) 2.621 9.390 ( -1.472 -0.678 -2.339) 2.845 10.581 ( -1.823 2.991 5.695) 6.686 10.863 ( -2.386 -1.343 -4.542) 5.303 11.413 ( -0.270 0.262 0.288) 0.474 11.571 ( 0.388 -3.948 -4.811) 6.236 12.337 ( -2.871 8.933 4.739) 10.512 12.536 ( -2.810 1.514 1.045) 3.358 12.901 ( 1.915 -1.369 1.472) 2.777 13.093 ( 0.200 -4.515 -1.274) 4.696 24.418 ( 0.066 0.137 0.218) 0.266 24.434 ( -0.688 -0.333 -0.086) 0.770 24.833 ( -2.223 0.004 1.930) 2.944 24.936 ( 0.871 -0.385 -3.908) 4.022 25.285 ( -2.589 -3.281 2.225) 4.735 25.353 ( -3.958 -4.433 -1.963) 6.259 25.953 ( 3.568 15.598 3.657) 16.413 26.559 ( 2.346 -8.099 -2.620) 8.830 ======================= Grid point 173 (74/171) ======================= q-point: ( 0.40 0.60 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.655 ( 9.369 -1.502 7.957) 12.383 1.841 ( 8.860 -8.665 -4.858) 13.311 2.338 ( 11.995 6.314 0.167) 13.557 2.524 ( 10.670 -10.262 -2.131) 14.957 2.711 ( -7.538 9.564 -0.776) 12.202 2.904 ( -3.701 -8.656 -0.161) 9.416 3.087 ( -0.232 2.236 13.001) 13.194 3.222 ( 3.263 -2.140 1.570) 4.206 3.917 ( -8.146 8.304 -1.775) 11.767 3.981 ( -4.747 3.219 0.993) 5.821 4.157 ( -2.371 3.204 5.472) 6.770 4.318 ( 1.396 -7.536 -0.506) 7.680 4.398 ( -8.386 -0.638 4.614) 9.592 4.538 ( -6.175 -3.719 -6.425) 9.656 4.933 ( -0.675 -0.059 5.535) 5.576 4.963 ( -0.836 -0.715 2.168) 2.431 5.273 ( 3.075 -0.033 2.215) 3.790 5.336 ( 4.338 -0.222 -4.416) 6.194 5.407 ( 1.402 1.831 -0.667) 2.401 5.491 ( -2.137 -3.447 -6.053) 7.286 6.353 ( 6.610 -0.844 3.662) 7.604 6.497 ( 8.652 -0.319 -10.196) 13.376 6.923 ( 7.768 0.407 2.726) 8.243 7.022 ( 3.781 -0.730 -5.923) 7.064 9.318 ( -2.469 0.463 4.126) 4.830 9.395 ( -2.946 -0.725 -3.706) 4.790 10.691 ( -1.700 2.183 8.025) 8.488 10.844 ( -2.088 -0.660 -7.217) 7.542 11.422 ( 0.808 0.575 1.646) 1.922 11.492 ( 1.180 -2.115 -4.111) 4.771 12.508 ( -3.641 8.940 2.301) 9.924 12.614 ( -3.892 0.878 0.809) 4.071 12.875 ( 1.909 -0.317 2.559) 3.209 13.014 ( 1.051 -7.006 -2.221) 7.424 24.426 ( -0.208 0.617 0.185) 0.677 24.438 ( -0.437 -0.584 0.086) 0.734 24.901 ( -4.048 0.274 1.879) 4.471 24.935 ( -3.735 -0.192 -1.962) 4.224 25.314 ( -2.087 -1.110 1.474) 2.786 25.359 ( -3.133 -3.099 -1.824) 4.769 26.077 ( 3.339 14.599 3.596) 15.402 26.388 ( 4.072 -10.807 -3.432) 12.048 ======================= Grid point 174 (75/171) ======================= q-point: (-0.50 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( 7.917 -0.000 -10.834) 13.419 1.584 ( 7.917 0.000 10.834) 13.419 2.100 ( 22.219 0.000 -5.154) 22.809 2.100 ( 22.219 0.000 5.154) 22.809 2.976 ( -10.745 -0.000 -3.163) 11.201 2.976 ( -10.745 -0.000 3.163) 11.201 3.185 ( -0.831 -0.000 -1.495) 1.710 3.185 ( -0.831 0.000 1.495) 1.710 4.093 ( -6.812 -0.000 -1.920) 7.077 4.093 ( -6.812 -0.000 1.920) 7.077 4.253 ( -3.570 -0.000 -2.808) 4.542 4.253 ( -3.570 0.000 2.808) 4.542 4.512 ( -0.075 -0.000 -3.263) 3.264 4.512 ( -0.075 0.000 3.263) 3.264 4.934 ( 6.235 -0.000 -4.565) 7.727 4.934 ( 6.235 0.000 4.565) 7.727 5.291 ( -1.771 -0.000 -5.869) 6.131 5.291 ( -1.771 0.000 5.869) 6.131 5.431 ( -0.581 -0.000 -5.796) 5.825 5.431 ( -0.581 0.000 5.796) 5.825 6.302 ( 3.660 -0.000 -4.834) 6.063 6.302 ( 3.660 0.000 4.834) 6.063 6.864 ( 6.661 -0.000 -9.794) 11.844 6.864 ( 6.661 0.000 9.794) 11.844 9.413 ( -3.971 -0.000 -4.699) 6.152 9.413 ( -3.971 0.000 4.699) 6.152 10.801 ( -1.422 -0.000 -9.572) 9.677 10.801 ( -1.422 0.000 9.572) 9.677 11.425 ( 1.877 -0.000 -3.855) 4.288 11.425 ( 1.877 0.000 3.855) 4.288 12.661 ( -3.989 0.000 -0.834) 4.075 12.661 ( -3.989 0.000 0.834) 4.075 12.893 ( 2.055 -0.000 -4.990) 5.396 12.893 ( 2.055 0.000 4.990) 5.396 24.437 ( -0.196 0.000 -0.017) 0.196 24.437 ( -0.196 0.000 0.017) 0.196 24.999 ( -5.383 -0.000 -1.641) 5.628 24.999 ( -5.383 0.000 1.641) 5.628 25.365 ( -2.303 -0.000 -1.913) 2.994 25.365 ( -2.303 0.000 1.913) 2.994 26.176 ( 4.167 0.000 -5.051) 6.548 26.176 ( 4.167 0.000 5.051) 6.548 ======================= Grid point 182 (76/171) ======================= q-point: ( 0.20 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.695 ( -8.987 6.985 -12.384) 16.820 1.892 ( -0.750 7.634 -1.422) 7.802 2.450 ( -0.713 -4.518 -1.425) 4.791 2.633 ( 3.495 -2.647 -1.733) 4.714 2.715 ( -0.696 3.588 8.700) 9.437 2.917 ( -3.766 2.159 4.482) 6.239 3.123 ( -3.121 3.942 1.879) 5.368 3.253 ( -4.439 -2.938 10.380) 11.665 3.564 ( -3.659 2.708 -10.417) 11.368 3.813 ( -2.627 -0.957 2.777) 3.940 3.839 ( 6.113 9.382 -0.048) 11.198 4.134 ( -4.207 -2.701 -7.421) 8.948 4.200 ( -1.756 -1.570 -4.563) 5.135 4.524 ( -2.409 -2.211 -9.343) 9.899 4.854 ( -2.053 3.318 -2.164) 4.461 4.928 ( -0.678 1.927 -2.890) 3.539 5.305 ( -4.987 -5.691 5.123) 9.138 5.433 ( -5.654 -4.995 -2.883) 8.077 5.530 ( 4.955 2.176 2.806) 6.096 5.691 ( 7.797 -0.322 0.406) 7.814 6.817 ( 9.462 -0.024 11.296) 14.736 6.837 ( 7.504 0.170 4.640) 8.825 7.160 ( 0.765 -1.081 2.067) 2.455 7.262 ( 2.764 0.529 -5.711) 6.367 9.259 ( 0.643 1.815 0.481) 1.985 9.428 ( 2.391 -1.236 0.163) 2.697 10.415 ( -3.268 3.838 -0.754) 5.097 10.892 ( -0.019 -5.326 0.229) 5.331 11.409 ( -0.210 -1.396 -0.131) 1.417 11.651 ( -2.369 -6.307 -3.808) 7.739 12.095 ( -2.789 6.705 4.241) 8.410 12.476 ( -0.116 -0.504 0.560) 0.762 12.971 ( 3.316 2.872 -0.523) 4.418 13.140 ( 0.124 -0.247 -1.446) 1.473 24.411 ( -0.698 -0.149 0.101) 0.721 24.426 ( -0.005 -0.227 -0.626) 0.666 24.816 ( 1.135 1.105 0.617) 1.700 25.079 ( 4.998 -1.295 -0.375) 5.177 25.240 ( -2.407 -1.039 -1.516) 3.029 25.333 ( -4.273 -7.793 -0.208) 8.890 25.791 ( 4.672 13.402 1.452) 14.267 26.717 ( 0.316 -3.765 0.346) 3.794 ======================= Grid point 183 (77/171) ======================= q-point: ( 0.30 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.872 ( -11.945 6.066 -3.828) 13.933 1.904 ( 2.479 1.736 -0.239) 3.036 2.372 ( 7.795 -8.824 4.456) 12.589 2.509 ( -4.988 -6.920 -7.379) 11.279 2.775 ( 5.887 7.431 2.286) 9.753 3.024 ( 0.712 5.672 3.692) 6.805 3.228 ( 1.603 -1.026 13.791) 13.921 3.421 ( -4.549 -1.340 0.751) 4.802 3.528 ( -4.189 1.627 -8.048) 9.217 3.858 ( 3.137 6.801 1.803) 7.704 3.908 ( -3.666 3.016 10.753) 11.754 4.125 ( -8.994 -4.685 -9.135) 13.649 4.244 ( -8.982 -1.524 -4.664) 10.235 4.475 ( -2.073 -4.207 -5.223) 7.019 4.877 ( -1.983 -2.980 1.594) 3.918 4.940 ( -1.603 1.726 -6.076) 6.517 5.351 ( 1.770 3.842 3.101) 5.245 5.446 ( -3.497 -8.094 0.931) 8.866 5.482 ( 3.611 3.227 -0.612) 4.881 5.565 ( 5.881 -2.612 -1.118) 6.531 6.689 ( 10.944 -0.210 6.418) 12.689 6.773 ( 7.760 -0.421 1.323) 7.883 7.120 ( 3.375 -0.256 -2.841) 4.419 7.154 ( 4.589 0.009 -2.228) 5.101 9.271 ( 0.323 1.490 0.710) 1.682 9.386 ( 0.989 -1.413 -0.489) 1.793 10.518 ( -3.773 4.818 1.046) 6.208 10.848 ( -0.699 -4.384 -0.828) 4.516 11.406 ( -0.548 -0.298 0.070) 0.628 11.591 ( -0.403 -5.506 -2.188) 5.939 12.239 ( -2.925 7.507 2.441) 8.418 12.492 ( -0.985 1.620 0.127) 1.900 12.943 ( 2.163 0.652 0.222) 2.270 13.121 ( -0.369 -2.776 -0.615) 2.867 24.421 ( 0.019 -0.165 -0.068) 0.179 24.422 ( -0.866 -0.273 -0.076) 0.911 24.825 ( -0.189 0.997 1.265) 1.622 24.960 ( 4.386 -1.714 -2.514) 5.338 25.285 ( -4.451 -3.701 1.488) 5.977 25.325 ( -3.455 -5.727 -1.132) 6.784 25.876 ( 3.982 15.855 1.327) 16.401 26.651 ( 1.621 -6.145 -0.581) 6.382 ======================= Grid point 184 (78/171) ======================= q-point: (-0.60 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.819 ( 6.739 -0.517 -0.000) 6.759 2.087 ( 5.386 -10.704 -0.000) 11.983 2.197 ( -10.319 5.505 0.000) 11.696 2.553 ( -9.446 -7.334 0.000) 11.959 2.703 ( 12.935 9.535 -0.000) 16.069 3.047 ( 3.595 0.303 -0.000) 3.608 3.220 ( 8.965 -6.917 -0.000) 11.323 3.280 ( 2.188 -1.712 -0.000) 2.778 3.699 ( -7.389 8.351 0.000) 11.151 3.899 ( -1.301 3.848 0.000) 4.062 4.091 ( -3.271 6.397 0.000) 7.185 4.252 ( -14.467 -2.713 0.000) 14.719 4.364 ( -11.569 -3.429 0.000) 12.067 4.417 ( 0.195 -7.139 -0.000) 7.142 4.905 ( -3.140 -1.627 0.000) 3.537 4.937 ( -2.345 -1.152 0.000) 2.613 5.373 ( 6.002 0.647 -0.000) 6.037 5.375 ( 3.149 5.479 -0.000) 6.320 5.429 ( 5.334 -3.271 -0.000) 6.257 5.489 ( -3.177 -4.991 0.000) 5.917 6.569 ( 9.448 -0.338 -0.000) 9.454 6.581 ( 10.868 -1.189 -0.000) 10.933 7.033 ( 5.501 1.161 -0.000) 5.622 7.077 ( 4.218 -1.108 -0.000) 4.361 9.295 ( -0.989 1.513 0.000) 1.807 9.364 ( -0.697 -1.757 0.000) 1.890 10.637 ( -3.581 5.139 0.000) 6.264 10.816 ( -0.937 -3.531 -0.000) 3.653 11.419 ( -0.478 0.799 0.000) 0.931 11.528 ( 0.811 -4.428 -0.000) 4.502 12.376 ( -3.231 8.262 0.000) 8.871 12.543 ( -2.408 2.807 0.000) 3.699 12.915 ( 1.635 -0.446 -0.000) 1.695 13.081 ( -0.018 -5.716 -0.000) 5.716 24.420 ( 0.019 0.254 0.000) 0.255 24.433 ( -0.851 -0.428 0.000) 0.953 24.862 ( -2.623 0.447 0.000) 2.661 24.892 ( 0.596 -0.909 -0.000) 1.087 25.312 ( -2.140 -3.852 0.000) 4.406 25.328 ( -4.112 -4.048 0.000) 5.770 25.985 ( 3.397 16.729 0.000) 17.071 26.536 ( 2.881 -9.104 -0.000) 9.549 ======================= Grid point 193 (79/171) ======================= q-point: ( 0.20 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.369 ( -10.797 9.697 -9.353) 17.265 1.692 ( -7.867 15.284 -1.547) 17.259 2.374 ( -9.936 0.997 -2.539) 10.304 2.580 ( -2.200 8.024 2.636) 8.727 2.766 ( -5.047 -0.303 1.811) 5.371 2.927 ( -4.329 1.423 5.391) 7.059 2.994 ( 0.449 0.558 -3.545) 3.616 3.307 ( -0.120 -0.544 3.944) 3.983 3.373 ( -2.776 -1.091 -6.846) 7.468 3.732 ( -6.476 6.500 2.618) 9.542 3.886 ( 3.893 7.784 -1.629) 8.854 3.952 ( -3.529 -1.746 -8.070) 8.979 4.302 ( 6.578 -1.481 5.117) 8.464 4.446 ( 0.650 -1.828 -9.238) 9.440 4.778 ( -0.507 2.125 -0.215) 2.195 4.992 ( 9.129 1.023 1.296) 9.277 5.248 ( -10.486 -5.757 1.140) 12.017 5.371 ( -9.751 -8.284 -0.613) 12.809 5.553 ( 0.579 4.165 0.098) 4.206 5.863 ( 12.004 1.511 1.971) 12.258 6.983 ( 6.938 -0.275 2.216) 7.288 7.054 ( 7.825 -1.101 8.791) 11.821 7.205 ( 0.021 -1.893 3.563) 4.035 7.246 ( 0.933 -0.136 -5.211) 5.295 9.251 ( 0.422 2.096 0.184) 2.146 9.492 ( 3.444 -1.326 0.241) 3.699 10.318 ( -2.858 3.335 -1.138) 4.537 10.964 ( 0.841 -6.980 0.493) 7.048 11.425 ( 0.127 -2.013 0.036) 2.017 11.632 ( -4.757 -6.186 -2.362) 8.153 12.010 ( -3.184 5.653 2.033) 6.799 12.496 ( 1.130 -1.073 0.276) 1.582 12.987 ( 4.586 5.676 -0.591) 7.321 13.125 ( 0.055 1.437 -1.156) 1.845 24.407 ( -0.351 -0.192 0.498) 0.639 24.419 ( -0.061 -0.070 -0.863) 0.868 24.818 ( -0.113 0.702 -0.084) 0.716 25.141 ( -2.179 1.542 2.510) 3.664 25.224 ( 4.834 0.618 -2.803) 5.622 25.362 ( -1.522 -9.880 -0.380) 10.004 25.754 ( 4.412 10.858 0.411) 11.727 26.751 ( -0.064 -1.854 0.714) 1.988 ======================= Grid point 194 (80/171) ======================= q-point: ( 0.30 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.591 ( -10.661 7.452 0.000) 13.007 1.881 ( -1.518 7.973 0.000) 8.116 2.429 ( -5.061 -6.004 0.000) 7.853 2.621 ( 7.071 0.707 -0.000) 7.106 2.797 ( 2.702 -2.889 -0.000) 3.956 2.938 ( -3.465 9.456 0.000) 10.071 3.232 ( -14.831 -1.103 0.000) 14.872 3.343 ( 0.003 1.739 0.000) 1.739 3.381 ( -4.900 1.076 0.000) 5.017 3.829 ( 4.627 6.739 -0.000) 8.174 3.949 ( -2.626 7.216 0.000) 7.679 3.984 ( -7.661 -8.369 0.000) 11.346 4.164 ( 3.245 -1.517 -0.000) 3.582 4.437 ( -3.136 -2.001 0.000) 3.720 4.836 ( -2.262 4.391 0.000) 4.939 4.911 ( 1.805 -0.840 -0.000) 1.991 5.367 ( -10.792 -7.407 0.000) 13.089 5.389 ( -0.868 -3.699 -0.000) 3.799 5.551 ( 4.546 3.377 -0.000) 5.663 5.697 ( 9.356 0.039 -0.000) 9.356 6.859 ( 8.422 0.459 -0.000) 8.435 6.954 ( 9.152 -1.777 -0.000) 9.323 7.160 ( 3.195 0.213 -0.000) 3.202 7.204 ( 2.132 -0.872 -0.000) 2.304 9.264 ( 0.486 1.828 0.000) 1.892 9.430 ( 2.583 -1.393 -0.000) 2.935 10.409 ( -3.902 4.422 0.000) 5.898 10.894 ( 0.137 -5.959 -0.000) 5.961 11.408 ( -0.175 -1.306 -0.000) 1.318 11.621 ( -2.174 -5.954 0.000) 6.339 12.130 ( -3.134 6.458 0.000) 7.178 12.479 ( 0.553 0.463 -0.000) 0.721 12.967 ( 2.997 2.974 -0.000) 4.222 13.128 ( -0.329 -0.523 0.000) 0.618 24.413 ( -0.398 -0.133 0.000) 0.419 24.419 ( -0.453 -0.312 0.000) 0.550 24.822 ( 0.775 1.477 -0.000) 1.668 25.072 ( 7.634 -1.991 -0.000) 7.890 25.231 ( -5.319 -1.444 0.000) 5.511 25.331 ( -3.767 -7.486 0.000) 8.381 25.803 ( 4.490 13.774 0.000) 14.488 26.719 ( 0.848 -3.836 -0.000) 3.929 ======================= Grid point 203 (81/171) ======================= q-point: ( 0.20 -0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( -13.657 12.681 0.000) 18.637 1.334 ( -13.892 18.778 0.000) 23.358 2.021 ( -19.701 17.350 0.000) 26.251 2.472 ( -3.342 7.616 0.000) 8.317 2.661 ( -11.506 2.559 0.000) 11.787 2.725 ( -3.642 1.840 0.000) 4.081 3.059 ( -0.663 9.430 0.000) 9.453 3.352 ( -2.175 4.082 0.000) 4.626 3.354 ( 7.349 -1.977 -0.000) 7.610 3.668 ( 8.117 1.230 -0.000) 8.210 3.712 ( -7.981 -2.744 0.000) 8.439 4.080 ( 9.807 -2.032 -0.000) 10.015 4.347 ( -4.649 -2.034 0.000) 5.074 4.510 ( 7.808 -0.987 -0.000) 7.870 4.782 ( 1.327 0.009 -0.000) 1.327 5.131 ( -9.273 -2.877 0.000) 9.709 5.185 ( 9.378 6.674 -0.000) 11.510 5.258 ( -9.740 -14.554 0.000) 17.512 5.488 ( -1.970 5.885 0.000) 6.205 6.058 ( 12.496 2.417 -0.000) 12.727 7.100 ( 5.531 -0.808 -0.000) 5.590 7.191 ( -4.314 -4.326 0.000) 6.109 7.231 ( 1.616 0.414 -0.000) 1.668 7.236 ( 2.925 -1.943 -0.000) 3.511 9.237 ( 0.443 2.144 0.000) 2.189 9.564 ( 3.427 -1.300 -0.000) 3.665 10.249 ( -1.247 2.563 0.000) 2.850 11.058 ( 1.258 -7.823 -0.000) 7.924 11.452 ( 0.343 -2.278 -0.000) 2.304 11.576 ( -7.971 -5.765 0.000) 9.837 11.915 ( -2.985 4.865 0.000) 5.707 12.531 ( 1.126 -1.607 -0.000) 1.963 13.011 ( 7.453 8.183 -0.000) 11.069 13.099 ( -0.046 2.732 0.000) 2.733 24.401 ( -0.731 -0.169 0.000) 0.750 24.424 ( 0.916 -0.041 -0.000) 0.916 24.797 ( -2.078 -0.471 0.000) 2.131 25.079 ( -1.183 4.646 0.000) 4.794 25.250 ( -1.389 -1.536 0.000) 2.071 25.492 ( 6.126 -7.112 -0.000) 9.386 25.725 ( 3.383 8.461 -0.000) 9.112 26.763 ( -0.193 -0.394 0.000) 0.439 ======================= Grid point 213 (82/171) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.718 ( -0.000 18.291 0.000) 18.291 0.921 ( -0.000 21.548 0.000) 21.548 1.695 ( -0.000 38.102 0.000) 38.102 2.421 ( -0.000 10.031 0.000) 10.031 2.460 ( -0.000 1.820 0.000) 1.820 2.619 ( -0.000 3.861 0.000) 3.861 2.983 ( -0.000 23.742 0.000) 23.742 3.338 ( -0.000 5.746 0.000) 5.746 3.537 ( 0.000 -14.835 -0.000) 14.835 3.617 ( 0.000 -0.400 -0.000) 0.400 4.204 ( 0.000 -6.741 -0.000) 6.741 4.207 ( 0.000 -10.736 -0.000) 10.736 4.276 ( 0.000 -2.766 -0.000) 2.766 4.532 ( 0.000 -2.654 -0.000) 2.654 4.625 ( 0.000 -1.319 -0.000) 1.319 4.820 ( 0.000 -1.099 -0.000) 1.099 4.965 ( -0.000 2.801 0.000) 2.801 5.438 ( -0.000 7.141 0.000) 7.141 5.654 ( -0.000 1.913 0.000) 1.913 6.411 ( 0.000 -8.922 -0.000) 8.922 6.866 ( -0.000 4.637 0.000) 4.637 7.180 ( 0.000 -1.163 -0.000) 1.163 7.271 ( -0.000 0.303 0.000) 0.303 7.316 ( 0.000 -1.668 -0.000) 1.668 9.262 ( -0.000 2.661 0.000) 2.661 9.629 ( 0.000 -1.680 -0.000) 1.680 10.256 ( -0.000 2.984 0.000) 2.984 11.079 ( 0.000 -9.163 -0.000) 9.163 11.366 ( 0.000 -0.854 -0.000) 0.854 11.458 ( 0.000 -2.417 -0.000) 2.417 11.860 ( -0.000 5.132 0.000) 5.132 12.542 ( 0.000 -2.517 -0.000) 2.517 13.102 ( -0.000 3.671 0.000) 3.671 13.205 ( -0.000 0.124 0.000) 0.124 24.388 ( 0.000 -0.102 -0.000) 0.102 24.446 ( 0.000 -0.205 -0.000) 0.205 24.743 ( 0.000 -0.200 -0.000) 0.200 25.081 ( -0.000 6.156 0.000) 6.156 25.173 ( 0.000 -2.169 -0.000) 2.169 25.687 ( 0.000 -4.135 -0.000) 4.135 25.781 ( -0.000 7.942 0.000) 7.942 26.746 ( 0.000 -3.423 -0.000) 3.423 ======================= Grid point 214 (83/171) ======================= q-point: ( 0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( -7.305 15.578 16.442) 23.799 1.286 ( -14.113 19.167 4.339) 24.194 2.084 ( -3.619 28.056 2.885) 28.435 2.507 ( -5.191 -5.033 5.347) 8.992 2.523 ( -1.309 9.392 -1.077) 9.544 2.739 ( -4.342 10.734 0.806) 11.607 3.147 ( 1.684 6.530 -1.856) 6.994 3.368 ( 0.844 -10.106 -0.909) 10.182 3.393 ( 3.018 0.933 0.707) 3.237 3.667 ( -2.222 9.350 6.481) 11.591 3.882 ( 14.927 -1.044 -1.390) 15.028 4.180 ( -0.904 -4.582 -0.507) 4.698 4.244 ( 1.016 1.743 -0.101) 2.019 4.594 ( 2.546 -3.435 4.141) 5.952 4.776 ( -13.948 -5.873 -1.214) 15.183 4.797 ( -6.973 -3.896 0.842) 8.032 5.013 ( -3.430 -0.067 0.264) 3.441 5.507 ( 7.811 4.687 -2.327) 9.402 5.531 ( 7.073 3.739 0.782) 8.038 6.191 ( 6.458 -3.875 -9.231) 11.914 6.996 ( -7.956 1.937 -5.200) 9.700 7.169 ( 1.297 -1.804 0.414) 2.260 7.248 ( 3.321 -1.390 0.090) 3.602 7.276 ( 0.871 -1.434 -1.093) 2.002 9.283 ( 1.175 3.157 0.667) 3.434 9.593 ( 1.987 -1.999 -0.078) 2.820 10.282 ( 0.538 3.807 0.602) 3.891 10.982 ( 0.284 -9.245 -0.307) 9.254 11.395 ( -3.808 -1.726 -2.731) 4.994 11.461 ( -2.001 -3.590 5.467) 6.840 11.922 ( -1.683 5.746 -1.622) 6.203 12.508 ( 0.001 -3.388 -1.086) 3.558 13.135 ( 0.832 3.181 0.660) 3.354 13.173 ( 4.095 2.108 1.385) 4.810 24.391 ( -0.329 -0.019 0.165) 0.368 24.438 ( 0.657 -0.257 0.118) 0.715 24.767 ( -1.725 0.465 1.003) 2.049 25.136 ( 1.016 5.783 0.473) 5.891 25.171 ( -2.986 -3.543 -0.358) 4.647 25.576 ( 7.362 -3.838 -0.135) 8.303 25.855 ( 1.691 9.205 0.496) 9.372 26.715 ( -1.586 -3.832 -1.887) 4.556 ======================= Grid point 215 (84/171) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( -6.960 12.202 19.350) 23.912 1.721 ( -11.275 16.360 4.261) 20.320 2.345 ( -2.213 8.381 4.961) 9.987 2.603 ( -3.195 6.479 -1.247) 7.331 2.633 ( -4.919 -1.672 2.046) 5.583 2.890 ( -1.111 3.526 -3.968) 5.423 3.075 ( 3.709 -0.189 4.100) 5.532 3.300 ( 4.444 1.676 -8.268) 9.535 3.337 ( -5.456 -6.888 9.720) 13.103 3.729 ( 3.699 5.440 -1.688) 6.792 3.966 ( -5.205 10.272 11.918) 16.573 4.124 ( 6.600 4.144 2.486) 8.179 4.265 ( -1.953 -0.322 -3.672) 4.172 4.542 ( 3.893 -5.628 8.556) 10.956 4.782 ( -1.898 1.341 0.527) 2.383 4.966 ( -8.760 -6.976 -4.107) 11.927 5.095 ( -8.373 -4.583 2.502) 9.868 5.256 ( 11.969 0.936 0.310) 12.009 5.594 ( -0.603 5.033 -1.189) 5.207 6.001 ( 7.268 -1.629 -5.900) 9.502 6.992 ( 2.845 0.602 -11.863) 12.214 7.113 ( 1.097 -2.342 -6.147) 6.669 7.164 ( 4.076 0.212 0.668) 4.136 7.265 ( -1.592 -0.428 -0.165) 1.657 9.298 ( 1.622 3.351 0.548) 3.763 9.529 ( 3.093 -1.948 -0.260) 3.665 10.336 ( -1.064 4.339 1.900) 4.854 10.890 ( -0.031 -8.281 -0.290) 8.286 11.395 ( -1.188 -1.840 -1.519) 2.666 11.521 ( -4.576 -5.126 4.709) 8.330 11.997 ( -2.713 6.162 -3.465) 7.572 12.461 ( -0.492 -3.991 -2.257) 4.611 13.121 ( 4.520 3.209 0.891) 5.614 13.173 ( 1.592 1.844 2.910) 3.796 24.397 ( -0.272 -0.149 -0.121) 0.333 24.429 ( 0.386 -0.124 0.827) 0.921 24.812 ( -1.822 1.249 0.343) 2.235 25.156 ( 2.485 3.470 -1.048) 4.395 25.184 ( -4.232 -5.187 -0.837) 6.746 25.414 ( 8.821 -2.198 3.119) 9.611 25.916 ( 2.807 10.794 -0.454) 11.162 26.687 ( -1.977 -4.931 -2.189) 5.746 ======================= Grid point 216 (85/171) ======================= q-point: ( 0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.793 ( -4.213 9.092 18.653) 21.174 1.996 ( -1.614 10.367 3.943) 11.208 2.437 ( -0.040 -2.013 6.019) 6.347 2.607 ( 1.404 -5.573 -6.217) 8.467 2.692 ( -3.360 3.155 -5.521) 7.192 2.825 ( -0.664 3.705 -2.975) 4.798 3.099 ( 3.601 -1.660 -3.015) 4.981 3.220 ( -0.668 4.423 -0.485) 4.500 3.584 ( -10.384 1.215 14.425) 17.815 3.730 ( -1.843 0.893 0.662) 2.152 4.055 ( 7.401 7.839 -0.740) 10.806 4.163 ( 4.310 0.738 2.975) 5.289 4.244 ( 0.345 0.691 7.061) 7.103 4.538 ( -1.049 -4.835 10.278) 11.407 4.882 ( -0.690 3.131 0.886) 3.326 4.952 ( -3.256 0.873 1.435) 3.664 5.104 ( -3.265 -5.437 -0.826) 6.396 5.292 ( -8.370 -3.836 3.678) 9.915 5.588 ( 3.368 1.877 -5.295) 6.550 5.820 ( 8.531 -0.602 -3.144) 9.112 6.823 ( 4.866 1.392 -13.123) 14.065 6.936 ( 7.893 -1.735 -8.635) 11.827 7.155 ( 0.821 0.444 0.617) 1.119 7.302 ( -1.948 1.052 0.041) 2.214 9.302 ( 1.944 2.859 -0.100) 3.459 9.457 ( 2.950 -1.653 -0.253) 3.391 10.421 ( -1.896 4.249 1.534) 4.899 10.824 ( -1.012 -6.461 0.432) 6.554 11.386 ( -0.867 -1.503 -0.459) 1.795 11.575 ( -3.749 -5.330 4.927) 8.170 12.073 ( -3.113 6.513 -5.292) 8.951 12.416 ( -1.724 -4.175 -3.359) 5.629 13.081 ( 4.981 2.588 1.170) 5.734 13.179 ( 1.979 0.546 2.947) 3.592 24.398 ( -0.476 -0.190 -0.164) 0.538 24.433 ( 0.211 -0.122 1.168) 1.193 24.843 ( 0.306 1.710 -0.487) 1.804 25.101 ( 2.484 -0.780 -2.999) 3.972 25.191 ( -4.002 -5.718 -1.071) 7.061 25.329 ( 6.201 0.860 7.336) 9.644 25.971 ( 3.336 12.411 -1.854) 12.985 26.643 ( -1.693 -6.641 -1.922) 7.117 ======================= Grid point 217 (86/171) ======================= q-point: ( 0.60 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.007 ( 4.979 4.309 0.440) 6.599 2.083 ( 0.223 4.964 13.920) 14.780 2.349 ( 5.805 -1.066 -4.188) 7.237 2.544 ( -2.455 -7.626 7.421) 10.920 2.734 ( -5.477 0.644 -6.457) 8.491 2.873 ( 4.668 3.525 -2.869) 6.515 2.972 ( -2.456 0.300 -10.526) 10.813 3.273 ( 2.131 2.302 3.904) 5.008 3.711 ( 1.411 -0.491 3.519) 3.823 3.874 ( -2.398 5.406 5.252) 7.910 4.011 ( 5.537 7.772 0.126) 9.544 4.133 ( -2.564 -0.507 2.130) 3.371 4.302 ( -0.416 -3.243 7.777) 8.437 4.580 ( -0.295 -4.581 7.078) 8.436 4.831 ( 2.272 -5.138 1.467) 5.806 5.132 ( 0.630 3.936 -2.919) 4.941 5.158 ( -12.163 0.384 5.933) 13.539 5.357 ( 1.034 -4.618 -1.635) 5.007 5.456 ( 1.041 -0.833 -8.311) 8.417 5.712 ( 3.685 0.726 5.229) 6.439 6.684 ( 3.543 2.116 -7.862) 8.880 6.733 ( 6.668 0.065 -8.338) 10.677 7.141 ( 1.937 -0.222 1.585) 2.513 7.335 ( -0.141 1.214 0.616) 1.369 9.285 ( 2.252 1.477 -0.960) 2.858 9.410 ( 1.266 -0.750 0.662) 1.614 10.479 ( -0.560 2.421 -1.701) 3.011 10.820 ( -3.133 -3.065 2.782) 5.191 11.391 ( -1.107 -0.807 0.442) 1.439 11.623 ( -2.630 -4.248 6.222) 7.980 12.143 ( -3.239 6.912 -6.862) 10.264 12.382 ( -3.189 -4.467 -4.765) 7.268 13.024 ( 5.368 1.379 0.714) 5.588 13.166 ( 2.400 -0.433 2.551) 3.529 24.409 ( -0.969 -0.047 0.165) 0.985 24.433 ( 0.640 -0.206 0.782) 1.032 24.821 ( 2.411 0.576 -0.804) 2.606 25.067 ( -0.568 0.427 -0.685) 0.987 25.183 ( -2.593 -5.418 -0.701) 6.047 25.314 ( 3.606 0.305 6.727) 7.639 26.018 ( 3.806 12.753 -3.419) 13.741 26.586 ( -1.753 -7.802 -1.048) 8.065 ======================= Grid point 218 (87/171) ======================= q-point: (-0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.832 ( 12.301 -0.762 -5.282) 13.409 2.046 ( 7.670 -0.748 -10.782) 13.253 2.432 ( -6.046 6.394 10.207) 13.477 2.602 ( -0.373 -2.596 7.930) 8.353 2.691 ( 7.072 -4.388 5.446) 9.946 2.779 ( -0.309 -1.358 -2.801) 3.129 2.989 ( -6.192 1.501 -13.802) 15.201 3.238 ( 9.911 2.409 3.261) 10.708 3.639 ( 3.589 -4.802 2.030) 6.330 4.003 ( 1.694 13.680 1.772) 13.898 4.058 ( 0.639 10.389 1.292) 10.489 4.182 ( -1.953 -3.520 1.690) 4.366 4.304 ( -2.882 -9.813 1.858) 10.395 4.539 ( 1.466 -6.341 -0.199) 6.511 4.760 ( 3.888 -1.895 -6.377) 7.706 5.001 ( 11.387 -0.568 -10.373) 15.414 5.198 ( -0.954 -0.426 -3.205) 3.371 5.405 ( -9.920 0.497 3.602) 10.566 5.486 ( -4.334 -1.288 0.596) 4.561 5.787 ( 0.382 1.639 13.078) 13.186 6.599 ( 2.460 0.349 -4.632) 5.257 6.662 ( -1.350 1.456 3.399) 3.937 7.115 ( 3.035 -0.302 2.747) 4.104 7.338 ( 1.633 0.532 1.427) 2.233 9.250 ( 2.025 0.305 -0.608) 2.137 9.412 ( -0.824 0.003 1.313) 1.550 10.460 ( 1.053 0.485 -4.551) 4.696 10.902 ( -4.739 -0.193 4.364) 6.445 11.412 ( -1.206 -0.195 1.265) 1.759 11.679 ( -1.512 -2.233 7.267) 7.751 12.208 ( -3.484 7.522 -8.296) 11.728 12.349 ( -4.083 -5.763 -6.710) 9.742 12.942 ( 5.854 0.178 0.036) 5.857 13.136 ( 2.573 -0.666 1.735) 3.174 24.422 ( 0.801 -0.121 0.232) 0.843 24.426 ( -0.700 0.011 0.231) 0.738 24.795 ( 0.364 0.126 0.171) 0.421 25.091 ( 0.862 1.517 2.694) 3.210 25.161 ( -1.719 -3.552 -1.427) 4.197 25.325 ( -0.265 -0.820 4.242) 4.329 26.029 ( 4.390 8.851 -4.586) 10.892 26.543 ( -1.982 -5.851 0.220) 6.181 ======================= Grid point 219 (88/171) ======================= q-point: (-0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( 15.413 0.000 -5.144) 16.248 1.775 ( 8.445 -0.000 -21.540) 23.136 2.466 ( 14.982 0.000 7.046) 16.556 2.660 ( -5.801 0.000 6.775) 8.919 2.683 ( 4.384 0.000 -0.357) 4.398 2.782 ( -1.961 0.000 3.364) 3.894 2.997 ( -5.896 -0.000 -6.909) 9.083 3.001 ( 19.890 0.000 1.143) 19.923 3.618 ( -1.064 0.000 3.773) 3.921 4.107 ( 2.568 -0.000 -4.351) 5.052 4.107 ( 0.637 0.000 0.081) 0.642 4.190 ( -4.492 -0.000 -0.806) 4.564 4.263 ( -0.686 -0.000 -2.435) 2.530 4.355 ( 7.943 -0.000 -12.202) 14.560 4.677 ( -2.401 -0.000 0.378) 2.430 4.709 ( 7.673 -0.000 -15.688) 17.464 5.284 ( -4.954 0.000 2.376) 5.494 5.532 ( 0.089 0.000 4.315) 4.316 5.541 ( -2.023 0.000 3.656) 4.179 5.844 ( 2.238 0.000 2.247) 3.171 6.620 ( -3.390 0.000 9.082) 9.694 6.822 ( -9.698 0.000 10.279) 14.132 7.084 ( 4.271 0.000 5.345) 6.841 7.321 ( 2.251 0.000 1.966) 2.988 9.221 ( 1.599 0.000 0.724) 1.756 9.451 ( -2.589 0.000 1.306) 2.900 10.398 ( 1.703 -0.000 -5.377) 5.640 11.018 ( -4.906 0.000 4.291) 6.518 11.441 ( -0.753 0.000 1.767) 1.921 11.740 ( -0.064 0.000 7.319) 7.320 12.275 ( -5.478 -0.000 -10.632) 11.960 12.287 ( -2.669 -0.000 -7.923) 8.360 12.841 ( 6.134 0.000 -0.431) 6.149 13.100 ( 2.332 0.000 0.553) 2.397 24.411 ( 0.356 -0.000 -0.140) 0.382 24.432 ( 0.151 0.000 -0.042) 0.156 24.815 ( -1.966 -0.000 0.590) 2.053 25.074 ( 5.229 0.000 4.439) 6.859 25.178 ( -4.080 -0.000 -2.756) 4.924 25.378 ( -3.363 0.000 2.619) 4.262 25.967 ( 4.104 -0.000 -4.436) 6.043 26.546 ( -1.217 0.000 1.082) 1.628 ======================= Grid point 224 (89/171) ======================= q-point: ( 0.30 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( -0.000 19.958 11.159) 22.866 1.038 ( 0.000 13.424 31.168) 33.936 1.770 ( -0.000 34.862 10.558) 36.426 2.406 ( -0.000 10.150 -1.886) 10.323 2.519 ( 0.000 5.791 5.650) 8.091 2.624 ( -0.000 6.747 1.727) 6.964 3.009 ( -0.000 13.563 2.992) 13.889 3.403 ( 0.000 4.275 7.247) 8.414 3.518 ( 0.000 -13.034 -2.653) 13.301 3.658 ( 0.000 3.085 6.165) 6.894 4.061 ( -0.000 -8.883 -9.183) 12.776 4.276 ( 0.000 -3.103 0.031) 3.103 4.278 ( 0.000 -7.907 1.172) 7.994 4.550 ( 0.000 -2.050 2.349) 3.118 4.689 ( 0.000 -0.663 7.206) 7.236 4.806 ( -0.000 -1.104 -1.720) 2.044 4.966 ( -0.000 3.266 0.162) 3.270 5.426 ( -0.000 7.296 -1.317) 7.414 5.652 ( -0.000 1.866 -0.249) 1.882 6.104 ( -0.000 4.371 -26.525) 26.883 6.852 ( -0.000 4.253 -1.828) 4.629 7.150 ( -0.000 0.220 -8.983) 8.986 7.250 ( -0.000 -1.347 -8.130) 8.241 7.386 ( 0.000 -8.272 9.606) 12.677 9.278 ( 0.000 2.534 2.043) 3.255 9.627 ( 0.000 -1.532 -0.294) 1.560 10.261 ( -0.000 2.857 1.453) 3.206 11.070 ( 0.000 -8.732 -1.154) 8.808 11.348 ( -0.000 -0.835 -2.086) 2.247 11.553 ( 0.000 -6.498 10.675) 12.498 11.836 ( -0.000 5.021 -2.934) 5.815 12.529 ( 0.000 -3.169 -1.493) 3.504 13.117 ( -0.000 3.880 1.815) 4.284 13.207 ( -0.000 1.610 0.128) 1.615 24.391 ( 0.000 -0.099 0.380) 0.393 24.446 ( 0.000 -0.193 0.034) 0.196 24.780 ( 0.000 -2.415 4.140) 4.793 25.096 ( -0.000 5.665 1.778) 5.937 25.168 ( 0.000 -2.387 -0.625) 2.468 25.656 ( -0.000 -1.519 -3.226) 3.566 25.814 ( -0.000 5.383 3.507) 6.425 26.698 ( -0.000 -1.367 -5.617) 5.781 ======================= Grid point 225 (90/171) ======================= q-point: ( 0.40 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( -9.841 15.913 14.018) 23.379 1.444 ( -4.153 14.550 24.383) 28.696 2.186 ( -3.041 22.296 10.496) 24.830 2.477 ( 0.908 11.397 -3.261) 11.889 2.669 ( -5.136 0.027 11.709) 12.786 2.766 ( -4.203 4.880 3.618) 7.387 3.089 ( 0.330 6.213 -5.393) 8.234 3.333 ( 5.849 -3.982 -2.717) 7.579 3.450 ( 2.190 -5.307 6.224) 8.467 3.809 ( 4.600 2.681 5.332) 7.535 3.880 ( -0.529 5.301 6.826) 8.658 4.169 ( -1.615 -4.446 -0.820) 4.800 4.250 ( 4.041 2.364 1.186) 4.829 4.682 ( -3.619 -6.239 4.689) 8.603 4.761 ( -1.587 -0.812 -0.442) 1.837 4.818 ( -10.354 -3.207 2.479) 11.119 5.022 ( -3.818 0.473 0.869) 3.944 5.461 ( 10.112 5.292 -2.974) 11.794 5.536 ( 4.579 3.551 -0.026) 5.794 5.996 ( -0.832 1.230 -12.182) 12.272 6.896 ( -1.774 2.678 -7.957) 8.581 7.042 ( 1.643 1.183 -12.314) 12.479 7.195 ( -2.985 -0.728 -8.834) 9.353 7.307 ( 5.168 -6.079 1.488) 8.116 9.306 ( 1.922 3.008 2.204) 4.195 9.590 ( 2.153 -1.705 -0.381) 2.773 10.310 ( -0.218 3.227 3.282) 4.608 10.971 ( 0.356 -8.454 -1.202) 8.546 11.353 ( -3.084 -1.128 -2.607) 4.192 11.583 ( -2.208 -7.573 9.546) 12.383 11.871 ( -1.517 5.552 -4.629) 7.386 12.476 ( -0.231 -4.389 -2.947) 5.291 13.155 ( 2.363 3.664 1.647) 4.661 13.207 ( 2.218 2.540 2.571) 4.240 24.396 ( -0.144 -0.094 0.391) 0.428 24.441 ( 0.327 -0.140 0.310) 0.472 24.795 ( -0.872 -1.258 2.449) 2.887 25.149 ( 1.057 3.800 0.576) 3.987 25.162 ( -2.490 -2.726 -0.267) 3.702 25.570 ( 5.405 -2.008 -0.761) 5.815 25.873 ( 2.992 7.895 1.891) 8.652 26.659 ( -2.387 -2.441 -4.873) 5.950 ======================= Grid point 226 (91/171) ======================= q-point: ( 0.50 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.803 ( -3.200 10.410 22.935) 25.390 1.815 ( -8.591 15.697 7.453) 19.384 2.424 ( -2.006 5.898 4.528) 7.701 2.547 ( 0.222 9.024 -3.556) 9.702 2.741 ( 2.585 -9.891 7.422) 12.633 2.832 ( 0.910 1.020 -0.813) 1.591 3.129 ( 0.103 4.595 -0.759) 4.658 3.189 ( 4.753 3.358 -1.490) 6.008 3.532 ( -8.404 -1.941 13.416) 15.949 3.728 ( 3.074 1.620 1.935) 3.977 4.079 ( 4.187 7.511 2.462) 8.945 4.209 ( -2.675 0.297 -2.449) 3.639 4.261 ( -0.488 4.777 13.236) 14.080 4.674 ( 0.563 -7.403 6.680) 9.987 4.804 ( -3.716 3.289 2.549) 5.578 4.899 ( -3.151 -2.892 -3.578) 5.576 5.123 ( -5.792 -2.766 0.579) 6.445 5.280 ( 6.499 1.056 3.057) 7.260 5.571 ( 0.244 2.422 -1.642) 2.936 5.902 ( 4.536 -0.117 -5.690) 7.278 6.774 ( 4.281 1.112 -14.502) 15.162 6.950 ( 2.293 -0.331 -13.337) 13.536 7.181 ( 0.314 0.525 -1.782) 1.884 7.207 ( -2.180 -0.348 -5.424) 5.856 9.312 ( 2.616 3.104 1.334) 4.273 9.523 ( 3.312 -1.587 -0.507) 3.708 10.383 ( -0.979 3.216 4.013) 5.234 10.881 ( -0.023 -7.068 -0.886) 7.123 11.370 ( -2.368 -1.318 -1.256) 2.987 11.625 ( -3.556 -7.736 8.121) 11.766 11.918 ( -2.500 6.008 -6.368) 9.105 12.409 ( -1.037 -5.153 -4.309) 6.796 13.141 ( 4.591 3.460 1.542) 5.952 13.225 ( 1.811 1.823 3.371) 4.239 24.396 ( 0.015 -0.269 0.005) 0.269 24.444 ( -0.020 0.083 0.995) 0.999 24.821 ( -1.241 0.097 0.753) 1.455 25.137 ( 4.887 2.483 -1.200) 5.611 25.165 ( -4.785 -6.236 -1.452) 7.993 25.479 ( 5.810 0.680 4.800) 7.567 25.908 ( 3.947 9.862 -0.363) 10.629 26.636 ( -2.906 -4.351 -4.053) 6.618 ======================= Grid point 227 (92/171) ======================= q-point: ( 0.60 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.025 ( 2.505 9.232 5.686) 11.128 2.130 ( -3.290 7.563 13.867) 16.134 2.417 ( 4.257 -3.457 -1.544) 5.697 2.555 ( -0.912 -1.380 -7.308) 7.493 2.700 ( -2.532 0.875 1.468) 3.055 2.797 ( 3.559 1.122 6.462) 7.462 3.048 ( 6.305 0.396 -0.252) 6.322 3.289 ( -2.615 1.785 6.744) 7.450 3.689 ( 1.608 7.620 1.072) 7.861 3.862 ( -9.540 -3.067 13.089) 16.485 4.043 ( 7.595 7.399 -0.637) 10.622 4.150 ( 3.903 0.315 -1.643) 4.246 4.412 ( 1.974 0.165 10.589) 10.772 4.668 ( -0.277 -2.778 4.990) 5.717 4.853 ( -3.693 -1.124 -2.214) 4.450 5.023 ( -6.621 1.482 4.448) 8.113 5.107 ( -0.441 -1.423 1.844) 2.371 5.333 ( -5.027 -1.233 -0.217) 5.181 5.488 ( 6.372 -2.472 -6.664) 9.546 5.795 ( 4.115 0.836 1.333) 4.406 6.633 ( 1.923 1.819 -9.669) 10.025 6.758 ( 5.680 -0.446 -12.681) 13.902 7.174 ( 0.977 0.974 0.838) 1.614 7.246 ( -5.398 2.033 -6.867) 8.968 9.301 ( 2.671 2.229 0.055) 3.480 9.455 ( 2.785 -0.999 -0.026) 2.959 10.450 ( -0.274 2.241 1.993) 3.012 10.833 ( -1.598 -4.437 0.714) 4.770 11.386 ( -1.441 -1.095 0.706) 1.943 11.676 ( -3.663 -6.583 7.525) 10.648 11.969 ( -2.974 6.400 -7.612) 10.380 12.344 ( -2.345 -5.443 -5.597) 8.152 13.102 ( 5.323 2.527 1.358) 6.047 13.227 ( 2.551 0.698 2.855) 3.892 24.397 ( -0.591 -0.168 0.040) 0.615 24.451 ( 0.431 0.010 1.022) 1.109 24.840 ( 0.332 0.694 0.160) 0.786 25.054 ( 2.938 0.083 -2.882) 4.116 25.171 ( -4.901 -6.638 -1.369) 8.364 25.460 ( 6.153 2.475 8.936) 11.128 25.937 ( 4.095 11.603 -2.391) 12.535 26.600 ( -2.904 -6.494 -3.440) 7.902 ======================= Grid point 228 (93/171) ======================= q-point: (-0.30 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.968 ( 8.488 -0.368 -4.255) 9.502 2.116 ( 10.929 -0.156 -9.613) 14.556 2.433 ( -0.835 3.517 15.133) 15.559 2.565 ( -8.685 -1.852 -4.788) 10.089 2.779 ( -3.496 0.688 -0.604) 3.614 2.838 ( 2.825 4.195 8.700) 10.064 2.944 ( 8.729 -2.139 6.858) 11.305 3.352 ( 2.156 -0.228 6.161) 6.531 3.735 ( 1.207 1.181 0.111) 1.692 3.948 ( 5.162 7.771 4.147) 10.209 4.008 ( 5.198 9.463 -0.562) 10.811 4.176 ( -4.314 -1.995 3.345) 5.812 4.396 ( 1.362 -6.834 3.589) 7.838 4.639 ( 3.683 -2.365 -0.008) 4.377 4.857 ( 6.195 -6.560 -1.088) 9.088 5.024 ( -1.226 3.019 -5.925) 6.762 5.218 ( 5.610 0.045 -6.572) 8.640 5.256 ( -4.851 -2.527 -2.254) 5.916 5.400 ( -8.407 -3.121 -0.890) 9.012 5.865 ( -0.511 3.708 12.525) 13.072 6.593 ( 0.901 0.863 -3.399) 3.621 6.617 ( -0.511 0.969 -4.662) 4.790 7.177 ( 1.379 1.021 2.448) 2.990 7.289 ( -3.821 1.592 -6.336) 7.569 9.273 ( 2.154 0.909 -0.434) 2.378 9.421 ( 0.985 -0.067 0.775) 1.255 10.453 ( 1.578 0.413 -1.460) 2.189 10.867 ( -3.840 -1.094 2.983) 4.984 11.410 ( -1.072 -0.483 1.997) 2.318 11.735 ( -2.858 -4.539 7.608) 9.309 12.020 ( -3.036 6.675 -8.284) 11.064 12.289 ( -3.496 -5.764 -6.932) 9.669 13.037 ( 5.925 1.224 0.899) 6.116 13.201 ( 3.168 -0.107 1.882) 3.686 24.412 ( -1.074 0.026 0.203) 1.093 24.444 ( 1.127 -0.104 0.606) 1.283 24.822 ( 2.263 0.275 0.917) 2.457 25.031 ( -2.137 1.182 -3.346) 4.143 25.175 ( -4.420 -6.505 -0.401) 7.875 25.444 ( 7.256 1.784 9.165) 11.824 25.964 ( 4.302 12.085 -3.272) 13.238 26.555 ( -3.455 -7.759 -2.769) 8.933 ======================= Grid point 229 (94/171) ======================= q-point: (-0.20 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.747 ( 11.685 -1.197 -5.913) 13.150 1.805 ( 12.359 -2.297 -14.804) 19.422 2.600 ( -2.955 4.576 5.783) 7.945 2.669 ( -4.284 0.545 3.500) 5.559 2.782 ( -0.286 -1.500 -4.322) 4.583 2.821 ( 10.283 -3.502 9.225) 14.252 2.925 ( 1.782 3.345 11.533) 12.139 3.293 ( 10.280 -2.510 3.559) 11.165 3.684 ( 2.657 -1.742 4.665) 5.644 4.018 ( 3.277 14.315 0.350) 14.689 4.066 ( 0.041 10.769 -0.442) 10.778 4.175 ( 3.816 -2.379 -5.224) 6.893 4.305 ( 1.098 -9.242 -1.250) 9.391 4.498 ( 7.393 -12.182 -4.011) 14.804 4.622 ( 1.041 1.341 -6.843) 7.050 4.789 ( 14.269 -2.683 -14.847) 20.767 5.218 ( -6.207 -0.188 3.473) 7.115 5.440 ( -9.828 2.747 0.856) 10.241 5.504 ( -7.493 -3.051 1.361) 8.204 5.937 ( 6.451 2.692 4.411) 8.265 6.628 ( -4.386 0.236 8.933) 9.954 6.702 ( -7.898 0.607 1.398) 8.044 7.194 ( 1.682 0.910 6.432) 6.710 7.300 ( -2.339 0.635 -6.221) 6.677 9.252 ( 1.294 0.374 0.767) 1.550 9.429 ( -0.958 0.177 0.874) 1.309 10.399 ( 2.510 -0.116 -2.976) 3.895 10.965 ( -4.915 0.405 3.377) 5.978 11.441 ( -0.875 0.011 2.239) 2.404 11.798 ( -1.412 -2.115 7.611) 8.024 12.067 ( -2.922 6.963 -8.877) 11.654 12.229 ( -3.807 -6.690 -8.053) 11.140 12.947 ( 6.493 0.097 0.426) 6.508 13.155 ( 3.368 -0.359 0.765) 3.472 24.425 ( 1.229 -0.088 0.168) 1.243 24.429 ( -0.564 0.059 0.155) 0.588 24.809 ( 0.605 0.356 1.446) 1.607 25.073 ( -4.270 1.184 -3.176) 5.452 25.176 ( -1.014 -4.093 1.725) 4.555 25.411 ( 4.830 0.454 6.033) 7.742 25.969 ( 4.846 8.382 -2.955) 10.123 26.528 ( -3.936 -5.801 -1.845) 7.249 ======================= Grid point 230 (95/171) ======================= q-point: (-0.10 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( 13.745 -0.000 -17.298) 22.093 1.489 ( 15.481 0.000 -3.138) 15.796 2.623 ( 15.053 0.000 9.531) 17.817 2.668 ( 4.473 0.000 -1.098) 4.606 2.743 ( -0.760 -0.000 -4.532) 4.595 2.752 ( 7.104 0.000 4.490) 8.404 3.011 ( -1.200 0.000 4.111) 4.283 3.053 ( 12.007 0.000 6.513) 13.660 3.748 ( -1.184 0.000 12.606) 12.662 3.823 ( 17.170 -0.000 -23.414) 29.035 4.096 ( 0.125 -0.000 -2.009) 2.013 4.182 ( -3.519 -0.000 0.073) 3.520 4.254 ( -1.840 0.000 1.327) 2.268 4.311 ( 0.015 0.000 0.598) 0.599 4.431 ( 7.137 -0.000 -18.181) 19.531 4.689 ( -4.847 -0.000 0.658) 4.891 5.309 ( -2.584 -0.000 0.850) 2.720 5.599 ( -6.634 0.000 3.100) 7.323 5.605 ( -1.174 0.000 4.827) 4.968 5.806 ( 7.527 -0.000 -5.000) 9.037 6.840 ( -7.219 0.000 16.277) 17.806 6.866 ( -10.342 -0.000 -1.156) 10.406 7.256 ( -0.151 0.000 11.586) 11.587 7.284 ( -1.646 -0.000 -6.423) 6.631 9.248 ( 1.002 0.000 2.221) 2.436 9.467 ( -2.679 -0.000 0.639) 2.755 10.332 ( 2.694 -0.000 -2.886) 3.948 11.074 ( -4.986 0.000 2.619) 5.632 11.470 ( -0.604 0.000 1.661) 1.768 11.852 ( 0.784 0.000 6.571) 6.617 12.104 ( -3.604 -0.000 -9.583) 10.238 12.162 ( -2.715 -0.000 -7.379) 7.863 12.839 ( 6.700 0.000 0.054) 6.700 13.102 ( 3.002 0.000 -0.132) 3.005 24.410 ( 0.527 0.000 -0.047) 0.529 24.431 ( 0.411 0.000 -0.035) 0.413 24.828 ( -1.227 0.000 0.855) 1.496 25.134 ( 6.030 0.000 2.844) 6.667 25.138 ( -5.226 -0.000 -2.060) 5.617 25.418 ( -1.814 0.000 2.216) 2.864 25.915 ( 4.355 -0.000 -2.166) 4.863 26.546 ( -2.981 -0.000 -0.683) 3.058 ======================= Grid point 231 (96/171) ======================= q-point: ( 0.00 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.296 ( 16.910 0.000 -0.000) 16.910 1.463 ( 15.338 0.000 -0.000) 15.338 2.653 ( 4.304 0.000 -0.000) 4.304 2.703 ( 3.196 0.000 -0.000) 3.196 2.710 ( -1.372 -0.000 0.000) 1.372 2.788 ( 28.077 0.000 -0.000) 28.077 3.046 ( 2.481 0.000 -0.000) 2.481 3.162 ( 0.577 0.000 -0.000) 0.577 3.572 ( 23.511 0.000 -0.000) 23.511 3.960 ( -2.697 -0.000 0.000) 2.697 4.005 ( 0.169 0.000 -0.000) 0.169 4.201 ( -10.384 -0.000 0.000) 10.384 4.231 ( 14.945 0.000 -0.000) 14.945 4.266 ( -1.814 -0.000 0.000) 1.814 4.320 ( -1.164 -0.000 0.000) 1.164 4.694 ( -5.204 -0.000 0.000) 5.204 5.315 ( -1.568 -0.000 0.000) 1.568 5.626 ( -8.767 -0.000 0.000) 8.767 5.664 ( -7.587 -0.000 0.000) 7.587 5.743 ( 14.635 0.000 -0.000) 14.635 6.852 ( -8.889 -0.000 0.000) 8.889 7.038 ( -8.405 -0.000 0.000) 8.405 7.169 ( -2.576 -0.000 0.000) 2.576 7.356 ( -3.452 -0.000 0.000) 3.452 9.271 ( 0.306 0.000 -0.000) 0.306 9.472 ( -2.685 -0.000 0.000) 2.685 10.309 ( 3.077 0.000 -0.000) 3.077 11.096 ( -4.997 -0.000 0.000) 4.997 11.485 ( -0.324 -0.000 0.000) 0.324 11.920 ( 2.264 0.000 -0.000) 2.264 12.019 ( -2.287 -0.000 0.000) 2.287 12.087 ( -3.859 -0.000 0.000) 3.859 12.840 ( 6.880 0.000 -0.000) 6.880 13.100 ( 3.306 0.000 -0.000) 3.306 24.410 ( 0.570 0.000 -0.000) 0.570 24.431 ( 0.510 0.000 -0.000) 0.510 24.836 ( -0.779 -0.000 0.000) 0.779 25.120 ( -5.821 -0.000 0.000) 5.821 25.157 ( 5.937 0.000 -0.000) 5.937 25.438 ( -0.724 -0.000 0.000) 0.724 25.898 ( 4.451 0.000 -0.000) 4.451 26.538 ( -3.730 -0.000 0.000) 3.730 ======================= Grid point 235 (97/171) ======================= q-point: ( 0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( 0.000 17.299 15.554) 23.263 1.471 ( 0.000 19.222 20.598) 28.174 2.077 ( 0.000 19.033 26.811) 32.880 2.368 ( -0.000 11.001 -1.523) 11.106 2.561 ( -0.000 14.992 0.145) 14.993 2.710 ( -0.000 10.388 6.813) 12.423 3.065 ( 0.000 -3.804 3.915) 5.458 3.445 ( -0.000 -7.246 -6.406) 9.672 3.544 ( 0.000 0.008 10.663) 10.663 3.841 ( 0.000 7.823 16.699) 18.440 3.949 ( 0.000 -10.662 -4.265) 11.483 4.259 ( 0.000 -6.276 -2.816) 6.879 4.279 ( 0.000 -3.898 0.350) 3.914 4.614 ( 0.000 -0.184 6.023) 6.026 4.752 ( -0.000 0.576 -2.746) 2.806 4.824 ( 0.000 0.436 5.961) 5.977 4.970 ( -0.000 4.509 0.315) 4.520 5.414 ( -0.000 6.536 0.896) 6.597 5.646 ( -0.000 1.751 -0.559) 1.838 5.778 ( -0.000 9.332 -13.238) 16.197 6.801 ( -0.000 3.207 -4.918) 5.872 6.934 ( -0.000 1.481 -17.601) 17.663 7.072 ( -0.000 -0.389 -13.743) 13.748 7.415 ( 0.000 -7.820 -6.026) 9.872 9.326 ( 0.000 2.059 3.806) 4.328 9.618 ( 0.000 -1.137 -0.874) 1.434 10.319 ( 0.000 1.390 5.930) 6.091 11.039 ( 0.000 -7.558 -2.810) 8.063 11.311 ( -0.000 -0.669 -2.080) 2.185 11.737 ( 0.000 -5.864 6.347) 8.641 11.782 ( 0.000 -1.118 1.276) 1.697 12.497 ( 0.000 -4.948 -2.541) 5.563 13.151 ( -0.000 4.422 2.211) 4.944 13.207 ( -0.000 4.385 -0.113) 4.387 24.400 ( 0.000 -0.091 0.677) 0.684 24.447 ( 0.000 -0.184 0.034) 0.187 24.856 ( 0.000 -5.304 4.946) 7.252 25.136 ( -0.000 4.542 3.166) 5.537 25.153 ( 0.000 -3.008 -1.262) 3.262 25.595 ( -0.000 0.383 -4.377) 4.394 25.882 ( 0.000 3.672 5.041) 6.237 26.588 ( -0.000 1.538 -7.774) 7.925 ======================= Grid point 236 (98/171) ======================= q-point: ( 0.50 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.590 ( -7.335 16.566 12.632) 22.086 1.822 ( -1.697 14.952 19.630) 24.734 2.343 ( 0.634 11.408 0.679) 11.446 2.509 ( 1.114 9.282 14.533) 17.280 2.751 ( -5.588 3.348 1.363) 6.655 2.913 ( -2.202 14.793 6.006) 16.116 3.001 ( 1.274 -5.287 -0.492) 5.460 3.291 ( 8.671 0.295 -2.182) 8.946 3.586 ( -0.668 -5.044 10.389) 11.568 3.834 ( 3.153 -4.857 2.470) 6.296 4.073 ( -2.534 5.367 10.170) 11.775 4.164 ( -0.151 -2.673 1.596) 3.117 4.294 ( -1.516 2.198 4.962) 5.635 4.730 ( -4.017 -2.473 2.768) 5.470 4.756 ( -3.530 -0.704 0.489) 3.633 4.874 ( -0.275 0.181 3.005) 3.023 5.039 ( -3.685 2.072 0.961) 4.336 5.445 ( 10.471 4.387 1.794) 11.494 5.535 ( 1.720 3.178 0.208) 3.619 5.854 ( -3.929 2.462 -5.634) 7.297 6.716 ( 4.426 1.327 -14.866) 15.568 6.836 ( -0.797 3.188 -13.070) 13.476 7.008 ( -5.164 0.473 -14.031) 14.959 7.257 ( 3.085 -4.412 -7.397) 9.149 9.351 ( 2.925 2.446 3.324) 5.059 9.579 ( 2.312 -1.165 -0.948) 2.758 10.389 ( -0.433 1.691 6.555) 6.783 10.941 ( 0.315 -7.009 -2.767) 7.542 11.322 ( -2.910 -0.512 -0.903) 3.090 11.745 ( -2.124 -7.784 7.820) 11.236 11.784 ( -1.000 1.919 -3.694) 4.282 12.417 ( -0.478 -6.226 -4.381) 7.628 13.181 ( 3.348 4.342 1.470) 5.676 13.245 ( 0.651 3.347 2.081) 3.994 24.403 ( 0.248 -0.194 0.444) 0.545 24.447 ( -0.187 0.023 0.382) 0.425 24.839 ( 0.305 -3.197 2.897) 4.325 25.134 ( -3.174 -4.028 -1.621) 5.378 25.183 ( 2.785 3.126 2.045) 4.659 25.550 ( 2.166 1.127 -1.746) 3.002 25.917 ( 5.002 5.861 3.701) 8.549 26.568 ( -3.527 -0.998 -6.394) 7.370 ======================= Grid point 237 (99/171) ======================= q-point: ( 0.60 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.946 ( -4.673 15.243 8.852) 18.236 2.103 ( -2.338 7.188 13.878) 15.803 2.426 ( -1.038 8.765 -4.078) 9.723 2.574 ( 3.576 -4.086 5.899) 8.017 2.714 ( 6.301 -2.063 -5.286) 8.480 2.968 ( 2.776 -3.290 9.868) 10.766 3.080 ( 2.701 7.974 0.333) 8.425 3.254 ( -2.748 6.255 5.851) 8.995 3.691 ( 2.685 4.577 5.956) 7.977 3.841 ( -7.701 -4.266 12.604) 15.374 4.107 ( 6.953 5.020 1.352) 8.681 4.173 ( 0.574 1.237 -1.083) 1.742 4.458 ( -6.200 -0.123 8.733) 10.711 4.724 ( 3.091 -4.216 -0.467) 5.248 4.850 ( -1.691 -0.811 2.873) 3.431 4.909 ( -5.062 4.377 6.422) 9.275 5.113 ( -3.684 -1.474 -1.654) 4.299 5.335 ( 6.058 1.705 2.656) 6.831 5.546 ( 2.984 0.192 -1.689) 3.434 5.842 ( 2.181 0.980 -1.339) 2.741 6.565 ( 1.318 1.164 -10.890) 11.031 6.715 ( 3.568 1.516 -15.404) 15.884 7.028 ( -8.100 2.162 -12.747) 15.257 7.168 ( -0.184 -0.120 -3.489) 3.496 9.338 ( 3.806 2.245 1.762) 4.757 9.514 ( 3.356 -0.828 -0.648) 3.517 10.459 ( -0.006 1.313 5.383) 5.541 10.860 ( -0.540 -5.169 -1.813) 5.504 11.367 ( -2.639 -0.227 1.083) 2.861 11.769 ( -2.769 -9.808 9.485) 13.922 11.801 ( -2.647 5.527 -7.984) 10.065 12.327 ( -1.536 -6.861 -6.017) 9.254 13.164 ( 4.714 3.720 1.203) 6.124 13.272 ( 1.722 2.035 2.470) 3.634 24.397 ( 0.166 -0.318 0.071) 0.366 24.459 ( -0.228 0.275 0.782) 0.860 24.835 ( -0.628 -1.183 1.028) 1.689 25.120 ( 7.168 2.140 -0.936) 7.539 25.141 ( -5.580 -7.761 -1.552) 9.684 25.556 ( 2.113 4.496 4.636) 6.795 25.909 ( 6.133 8.001 0.492) 10.093 26.563 ( -4.005 -3.957 -4.965) 7.506 ======================= Grid point 238 (100/171) ======================= q-point: ( 0.70 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.068 ( 6.341 1.640 0.846) 6.604 2.237 ( 5.743 2.510 1.933) 6.559 2.416 ( -2.000 -1.315 -5.960) 6.423 2.543 ( 1.654 -0.423 9.990) 10.134 2.624 ( -1.605 8.208 -6.212) 10.418 2.982 ( 3.895 1.327 9.763) 10.594 3.116 ( 3.183 2.108 8.761) 9.557 3.411 ( -4.168 -1.731 8.064) 9.241 3.707 ( 3.803 7.306 2.115) 8.504 4.004 ( 4.523 7.168 1.435) 8.596 4.078 ( 6.077 -0.331 6.118) 8.630 4.146 ( -3.239 0.806 3.880) 5.118 4.532 ( 4.860 -3.808 3.434) 7.065 4.665 ( -1.611 1.604 -4.692) 5.213 4.868 ( -3.942 -1.248 3.939) 5.710 5.055 ( 0.222 -4.496 0.447) 4.523 5.146 ( 0.814 2.280 0.610) 2.497 5.266 ( -5.334 -3.958 -5.502) 8.625 5.379 ( 10.821 -1.917 -7.743) 13.444 5.892 ( -1.616 5.160 10.001) 11.369 6.537 ( -3.346 -0.204 -3.039) 4.525 6.576 ( 2.129 1.927 -8.562) 9.031 7.090 ( -7.815 2.532 -11.319) 13.986 7.175 ( -1.361 1.556 -1.455) 2.529 9.303 ( 3.186 1.166 0.111) 3.395 9.457 ( 2.647 -0.003 0.236) 2.658 10.481 ( 1.820 -0.137 1.795) 2.560 10.845 ( -2.707 -2.099 0.747) 3.506 11.414 ( -1.173 0.165 2.788) 3.029 11.796 ( -3.063 -5.094 4.531) 7.474 11.850 ( -3.519 3.376 -4.106) 6.375 12.242 ( -2.874 -6.910 -7.214) 10.394 13.120 ( 5.485 2.562 0.895) 6.119 13.265 ( 2.975 0.817 1.872) 3.609 24.399 ( -0.670 -0.132 0.081) 0.688 24.464 ( 0.634 0.191 0.626) 0.911 24.849 ( -0.515 -0.092 0.919) 1.057 25.011 ( 4.661 0.584 -2.568) 5.353 25.151 ( -5.920 -7.562 -1.077) 9.664 25.604 ( 5.629 4.921 9.070) 11.754 25.895 ( 4.991 10.562 -3.020) 12.065 26.540 ( -4.063 -6.859 -3.916) 8.882 ======================= Grid point 239 (101/171) ======================= q-point: (-0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.898 ( 9.377 -3.954 -3.476) 10.754 1.968 ( 14.895 -3.039 -7.784) 17.079 2.514 ( -6.738 1.251 -0.901) 6.912 2.638 ( -2.058 1.492 8.516) 8.887 2.700 ( -1.845 5.920 -4.575) 7.706 3.002 ( 6.041 5.037 7.116) 10.606 3.144 ( 6.014 -0.964 15.342) 16.506 3.455 ( 0.534 -6.443 4.603) 7.936 3.741 ( 2.873 6.096 2.451) 7.171 3.992 ( 4.514 9.063 -1.496) 10.235 4.005 ( 7.958 7.768 2.704) 11.444 4.242 ( 1.456 -1.588 5.132) 5.566 4.409 ( 1.564 -8.783 -1.958) 9.133 4.566 ( 4.714 0.872 -9.272) 10.438 4.777 ( 13.907 -10.265 -4.545) 17.873 4.950 ( 11.443 0.229 -6.665) 13.244 5.137 ( -4.644 0.847 0.811) 4.789 5.236 ( -10.073 -0.442 -2.177) 10.315 5.391 ( -10.489 -3.736 -0.460) 11.144 6.031 ( 4.081 5.954 6.754) 9.886 6.575 ( -5.533 1.239 0.471) 5.690 6.624 ( -5.692 -0.419 5.893) 8.203 7.142 ( -6.516 1.572 -10.884) 12.782 7.212 ( -1.198 2.130 1.239) 2.740 9.271 ( 1.554 0.578 0.027) 1.658 9.432 ( 0.996 0.408 0.557) 1.212 10.435 ( 3.088 -0.802 -0.716) 3.270 10.908 ( -4.303 0.083 2.002) 4.746 11.451 ( -0.206 0.461 2.874) 2.918 11.844 ( -2.888 -1.336 3.041) 4.401 11.909 ( -2.916 2.547 -2.166) 4.436 12.170 ( -3.825 -6.905 -7.678) 11.012 13.049 ( 6.150 1.214 0.539) 6.292 13.224 ( 3.813 0.024 0.937) 3.926 24.415 ( -1.109 0.078 0.125) 1.118 24.451 ( 1.447 0.022 0.303) 1.479 24.849 ( 2.465 0.447 2.316) 3.412 24.972 ( -2.536 0.858 -3.832) 4.674 25.170 ( -5.723 -6.775 -0.197) 8.871 25.584 ( 9.675 2.870 7.666) 12.673 25.915 ( 3.947 12.404 -2.841) 13.323 26.507 ( -4.908 -8.587 -2.815) 10.283 ======================= Grid point 240 (102/171) ======================= q-point: (-0.10 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.606 ( 16.380 -1.346 -6.416) 17.643 1.699 ( 10.526 -3.697 -2.245) 11.380 2.616 ( -3.481 4.096 -0.156) 5.377 2.707 ( 0.834 0.291 -2.622) 2.767 2.731 ( -4.122 -3.443 2.037) 5.744 2.993 ( 10.642 9.607 6.125) 15.590 3.133 ( 7.939 -2.734 14.640) 16.877 3.306 ( 8.751 -8.120 -4.476) 12.750 3.814 ( 0.989 5.472 11.278) 12.574 3.997 ( 12.856 2.653 -9.795) 16.379 4.009 ( 5.081 10.346 -2.361) 11.766 4.058 ( 2.960 4.326 -2.648) 5.872 4.290 ( -0.339 -8.064 -0.980) 8.131 4.465 ( 5.861 -14.408 -0.498) 15.563 4.522 ( 8.836 4.919 -6.299) 11.914 4.627 ( 3.172 -5.255 -3.464) 7.048 5.265 ( -4.639 -0.693 1.845) 5.040 5.441 ( -11.464 4.326 -0.288) 12.256 5.521 ( -10.207 -3.659 0.632) 10.862 5.956 ( 11.740 2.681 -0.288) 12.046 6.711 ( -8.449 0.051 0.187) 8.451 6.828 ( -8.492 0.549 12.594) 15.199 7.159 ( -4.671 0.467 -9.829) 10.893 7.279 ( -2.314 1.811 3.287) 4.409 9.266 ( 0.271 0.561 0.676) 0.919 9.439 ( -0.934 0.259 0.325) 1.023 10.368 ( 3.351 -0.377 -0.999) 3.517 11.004 ( -4.988 0.681 1.336) 5.209 11.475 ( -0.040 0.415 1.496) 1.554 11.908 ( -1.132 0.373 5.050) 5.189 11.956 ( -1.868 4.083 -3.720) 5.831 12.109 ( -4.235 -7.536 -6.105) 10.583 12.953 ( 6.741 0.096 0.208) 6.745 13.162 ( 3.943 -0.249 0.185) 3.955 24.427 ( 1.446 -0.059 0.057) 1.448 24.431 ( -0.472 0.092 0.055) 0.484 24.832 ( 1.413 0.681 1.082) 1.905 25.029 ( -5.629 0.418 -1.827) 5.932 25.194 ( -2.881 -3.957 0.538) 4.924 25.490 ( 8.223 1.157 3.074) 8.855 25.937 ( 4.930 8.681 -1.076) 10.041 26.499 ( -5.341 -6.367 -1.282) 8.409 ======================= Grid point 246 (103/171) ======================= q-point: ( 0.50 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.487 ( 0.000 15.237 15.606) 21.811 1.736 ( -0.000 24.379 14.962) 28.604 2.234 ( -0.000 10.217 -5.400) 11.556 2.541 ( -0.000 24.691 -3.459) 24.932 2.626 ( 0.000 5.410 27.788) 28.309 2.777 ( 0.000 1.118 2.071) 2.353 3.145 ( 0.000 -4.129 6.489) 7.691 3.337 ( -0.000 0.057 -6.087) 6.087 3.729 ( 0.000 -4.687 11.409) 12.334 3.928 ( 0.000 -11.882 1.191) 11.941 4.151 ( 0.000 6.329 20.628) 21.578 4.209 ( 0.000 -4.998 -2.832) 5.745 4.290 ( 0.000 -5.067 1.342) 5.242 4.698 ( -0.000 0.849 -3.282) 3.390 4.753 ( 0.000 2.655 11.682) 11.980 4.872 ( -0.000 3.469 -0.303) 3.482 4.976 ( -0.000 6.174 0.593) 6.202 5.478 ( 0.000 4.212 6.166) 7.467 5.633 ( -0.000 1.710 -1.082) 2.023 5.667 ( -0.000 7.008 -1.673) 7.204 6.614 ( -0.000 2.431 -21.772) 21.907 6.690 ( -0.000 1.807 -9.101) 9.279 6.845 ( -0.000 1.070 -13.672) 13.714 7.231 ( -0.000 -3.915 -15.742) 16.222 9.391 ( 0.000 1.582 4.244) 4.529 9.598 ( -0.000 -0.603 -1.722) 1.825 10.441 ( 0.000 -0.371 9.015) 9.022 10.978 ( -0.000 -5.975 -5.067) 7.834 11.296 ( 0.000 -0.145 0.416) 0.440 11.659 ( -0.000 4.046 -7.329) 8.372 11.959 ( 0.000 -13.814 12.213) 18.439 12.449 ( 0.000 -7.448 -3.585) 8.266 13.181 ( -0.000 5.184 1.434) 5.378 13.204 ( -0.000 6.356 -0.253) 6.361 24.412 ( 0.000 -0.088 0.824) 0.829 24.447 ( 0.000 -0.171 -0.090) 0.193 24.930 ( 0.000 -6.392 4.380) 7.749 25.128 ( 0.000 -3.921 -1.901) 4.358 25.194 ( 0.000 3.538 4.166) 5.466 25.520 ( -0.000 1.399 -5.116) 5.304 25.972 ( 0.000 3.010 6.307) 6.988 26.460 ( -0.000 2.850 -8.205) 8.686 ======================= Grid point 247 (104/171) ======================= q-point: ( 0.60 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( -4.303 15.418 12.462) 20.287 2.081 ( -1.811 15.148 13.742) 20.533 2.281 ( 0.907 12.301 -5.250) 13.405 2.713 ( 3.890 -0.492 -1.623) 4.244 2.770 ( -1.122 -1.619 2.951) 3.548 2.859 ( -6.955 13.617 0.530) 15.300 3.148 ( 3.828 -0.561 10.219) 10.927 3.283 ( 8.421 6.837 1.654) 10.972 3.748 ( -1.365 -3.866 8.764) 9.676 3.921 ( -2.972 -5.786 8.500) 10.703 4.109 ( 0.937 -0.272 -0.609) 1.150 4.244 ( 3.764 -2.366 4.357) 6.225 4.404 ( -6.487 0.155 7.473) 9.897 4.748 ( -6.724 1.435 1.521) 7.042 4.805 ( 4.440 1.564 -0.101) 4.709 4.938 ( -3.355 -0.659 7.185) 7.957 5.057 ( 0.196 5.194 3.954) 6.530 5.484 ( 11.384 2.917 1.046) 11.798 5.561 ( 0.962 3.400 3.209) 4.774 5.802 ( -3.745 2.627 -1.746) 4.897 6.466 ( 0.012 1.779 -14.980) 15.085 6.619 ( 1.830 2.258 -14.340) 14.632 6.792 ( -4.417 1.715 -11.268) 12.224 7.098 ( -2.222 -1.380 -11.772) 12.060 9.405 ( 3.716 1.598 3.394) 5.280 9.559 ( 2.241 -0.394 -1.580) 2.770 10.509 ( 0.133 -0.175 8.224) 8.227 10.881 ( -0.108 -5.132 -4.799) 7.027 11.333 ( -2.492 0.510 2.469) 3.545 11.652 ( -1.603 4.414 -8.293) 9.531 11.930 ( -1.108 -12.550 10.832) 16.615 12.337 ( -0.706 -8.560 -5.780) 10.353 13.199 ( 3.721 4.952 0.749) 6.240 13.271 ( -0.261 4.100 1.143) 4.264 24.409 ( 0.720 -0.292 0.348) 0.851 24.452 ( -0.697 0.161 0.307) 0.778 24.883 ( 1.611 -4.379 2.517) 5.301 25.106 ( -4.419 -5.649 -1.779) 7.389 25.217 ( 5.457 2.317 2.185) 6.318 25.518 ( -1.372 4.368 -2.150) 5.058 25.986 ( 7.146 4.302 4.731) 9.589 26.465 ( -5.041 -0.234 -6.360) 8.118 ======================= Grid point 248 (105/171) ======================= q-point: ( 0.70 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.087 ( -2.062 13.308 8.698) 16.032 2.251 ( -0.347 0.427 4.362) 4.396 2.363 ( -1.139 8.357 -2.200) 8.717 2.621 ( 3.739 1.166 -0.756) 3.989 2.630 ( 10.257 -3.082 -4.599) 11.656 3.048 ( -2.032 2.576 3.408) 4.731 3.170 ( 0.840 0.720 6.019) 6.120 3.344 ( -2.045 11.696 4.677) 12.762 3.777 ( 4.007 1.438 4.943) 6.524 4.049 ( -0.501 -0.287 11.137) 11.152 4.109 ( -0.469 4.447 0.787) 4.540 4.209 ( 3.585 0.079 4.848) 6.030 4.511 ( -8.271 -3.607 -0.807) 9.059 4.683 ( 6.106 -2.573 -4.267) 7.881 4.899 ( -4.146 0.268 3.238) 5.267 5.064 ( 6.926 3.249 6.035) 9.744 5.074 ( -10.119 -3.238 1.048) 10.676 5.344 ( 10.044 -0.309 -1.186) 10.118 5.508 ( 9.499 1.656 -2.786) 10.036 5.868 ( -2.080 5.675 4.091) 7.298 6.441 ( -5.019 -0.224 -5.394) 7.371 6.496 ( 1.121 3.144 -11.144) 11.633 6.840 ( -8.010 1.982 -8.880) 12.122 7.089 ( -4.267 1.210 -5.739) 7.253 9.364 ( 4.792 0.897 1.313) 5.049 9.504 ( 3.137 0.326 -0.532) 3.199 10.543 ( 1.838 -1.109 4.704) 5.171 10.826 ( -1.957 -2.697 -2.329) 4.066 11.408 ( -1.899 1.270 3.937) 4.552 11.668 ( -3.083 4.563 -8.108) 9.801 11.924 ( -2.223 -10.411 9.488) 14.260 12.220 ( -2.086 -8.810 -7.246) 11.596 13.178 ( 4.745 3.899 0.553) 6.167 13.302 ( 1.564 2.327 1.201) 3.051 24.398 ( 0.252 -0.328 0.055) 0.418 24.468 ( -0.282 0.390 0.411) 0.633 24.851 ( -0.191 -2.082 0.807) 2.241 25.107 ( 7.098 2.007 -0.701) 7.409 25.121 ( -4.614 -8.930 -0.855) 10.088 25.615 ( -1.454 8.542 2.626) 9.054 25.924 ( 8.975 5.591 1.259) 10.649 26.490 ( -5.080 -3.985 -3.846) 7.515 ======================= Grid point 249 (106/171) ======================= q-point: ( 0.80 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.074 ( 7.371 -6.476 0.258) 9.815 2.240 ( 18.554 -3.020 -1.401) 18.850 2.371 ( -7.265 4.072 0.736) 8.360 2.534 ( -4.104 9.608 -4.029) 11.198 2.660 ( 0.880 4.042 3.592) 5.479 3.081 ( 3.181 2.414 3.213) 5.125 3.250 ( -2.758 1.498 5.680) 6.490 3.493 ( -2.143 1.598 1.488) 3.059 3.772 ( 4.462 5.005 4.387) 8.013 4.005 ( 8.047 7.137 -0.193) 10.758 4.124 ( 8.370 2.941 2.191) 9.139 4.293 ( -4.650 -1.108 9.292) 10.450 4.516 ( 5.107 -5.321 -2.902) 7.925 4.564 ( 1.408 0.288 -7.396) 7.534 4.945 ( -3.306 -0.483 5.295) 6.262 5.049 ( 0.567 -2.187 -1.619) 2.780 5.087 ( 10.523 -2.525 -4.856) 11.861 5.237 ( -8.269 -3.646 0.525) 9.052 5.271 ( 10.428 -1.678 -4.384) 11.436 6.041 ( -0.668 8.973 6.324) 10.997 6.478 ( -4.683 0.390 -1.730) 5.008 6.543 ( -7.358 1.647 0.338) 7.548 6.925 ( -8.005 0.844 -7.191) 10.794 7.147 ( -3.530 2.608 -1.459) 4.624 9.304 ( 3.346 0.333 0.050) 3.363 9.460 ( 2.609 0.760 0.151) 2.722 10.502 ( 3.348 -1.818 0.760) 3.885 10.854 ( -3.691 -0.410 0.312) 3.726 11.465 ( 0.183 1.586 2.806) 3.229 11.721 ( -4.316 4.461 -4.783) 7.836 11.946 ( -2.546 -6.914 7.182) 10.290 12.125 ( -3.707 -8.516 -6.746) 11.479 13.129 ( 5.518 2.602 0.287) 6.107 13.285 ( 3.182 0.902 0.631) 3.367 24.400 ( -0.709 -0.104 0.035) 0.718 24.471 ( 0.761 0.318 0.199) 0.848 24.864 ( -2.296 -0.599 0.734) 2.484 24.978 ( 7.086 0.867 -1.274) 7.252 25.139 ( -6.609 -8.095 -0.400) 10.458 25.736 ( 4.192 8.401 7.172) 11.815 25.836 ( 6.665 8.348 -4.529) 11.603 26.490 ( -4.842 -7.485 -1.880) 9.111 ======================= Grid point 250 (107/171) ======================= q-point: (-0.10 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.883 ( 7.312 -6.922 -0.000) 10.069 1.889 ( 18.392 -2.596 -0.000) 18.574 2.513 ( -5.444 2.618 0.000) 6.041 2.659 ( -2.007 6.011 0.000) 6.337 2.703 ( -1.863 0.346 0.000) 1.895 3.060 ( 7.017 7.899 -0.000) 10.566 3.316 ( 0.366 -1.520 -0.000) 1.564 3.447 ( 3.932 -6.522 -0.000) 7.616 3.805 ( 2.921 10.236 0.000) 10.645 3.966 ( 3.571 4.645 -0.000) 5.859 4.027 ( 9.387 7.448 -0.000) 11.982 4.319 ( 16.487 -1.498 -0.000) 16.555 4.372 ( 0.055 -8.027 -0.000) 8.027 4.440 ( -3.718 0.518 0.000) 3.753 4.747 ( 13.060 -11.068 -0.000) 17.119 4.881 ( 17.970 -0.887 -0.000) 17.991 5.172 ( -14.474 3.686 0.000) 14.936 5.201 ( -5.281 -1.318 0.000) 5.443 5.386 ( -11.282 -4.369 0.000) 12.099 6.078 ( 7.586 6.095 -0.000) 9.731 6.582 ( -7.598 -0.207 0.000) 7.601 6.720 ( -9.611 1.961 0.000) 9.809 7.014 ( -6.598 0.340 0.000) 6.607 7.222 ( -2.835 2.797 0.000) 3.983 9.271 ( 1.186 0.484 -0.000) 1.281 9.437 ( 1.036 0.581 -0.000) 1.188 10.430 ( 3.633 -1.202 -0.000) 3.827 10.925 ( -4.476 0.485 0.000) 4.502 11.480 ( 0.657 1.094 -0.000) 1.276 11.817 ( -3.802 4.960 0.000) 6.250 11.962 ( -1.281 -3.294 0.000) 3.534 12.081 ( -4.943 -8.424 0.000) 9.768 13.054 ( 6.194 1.224 -0.000) 6.314 13.231 ( 4.061 0.056 -0.000) 4.062 24.416 ( -1.116 0.096 0.000) 1.120 24.454 ( 1.557 0.081 -0.000) 1.559 24.880 ( 4.777 1.000 -0.000) 4.881 24.929 ( -4.843 0.212 0.000) 4.848 25.168 ( -6.158 -6.841 0.000) 9.204 25.654 ( 11.411 2.905 -0.000) 11.775 25.887 ( 2.937 13.204 0.000) 13.527 26.482 ( -5.542 -9.209 0.000) 10.748 ======================= Grid point 257 (108/171) ======================= q-point: ( 0.60 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( 0.000 13.643 14.074) 19.602 1.969 ( 0.000 23.596 13.674) 27.271 2.116 ( 0.000 12.532 -7.912) 14.821 2.428 ( 0.000 27.541 -10.675) 29.537 2.819 ( 0.000 -6.930 3.891) 7.947 2.915 ( 0.000 -6.306 5.865) 8.611 3.257 ( 0.000 0.850 6.766) 6.820 3.304 ( 0.000 5.981 2.514) 6.488 3.873 ( 0.000 -5.967 6.551) 8.862 3.960 ( 0.000 -8.290 1.338) 8.397 4.200 ( -0.000 -5.169 2.725) 5.844 4.289 ( 0.000 -4.161 0.323) 4.173 4.471 ( 0.000 0.899 16.274) 16.298 4.667 ( -0.000 1.700 -0.120) 1.705 4.832 ( 0.000 2.583 -3.930) 4.703 4.878 ( 0.000 3.400 -1.522) 3.725 5.091 ( -0.000 8.263 18.866) 20.596 5.545 ( -0.000 4.982 2.024) 5.377 5.609 ( 0.000 2.309 -1.969) 3.035 5.676 ( -0.000 4.999 -2.438) 5.561 6.314 ( -0.000 1.754 -11.886) 12.015 6.518 ( 0.000 0.614 -12.305) 12.320 6.688 ( 0.000 2.168 -4.436) 4.938 6.960 ( 0.000 -0.661 -17.162) 17.174 9.457 ( 0.000 1.107 3.953) 4.105 9.563 ( 0.000 -0.020 -2.623) 2.623 10.593 ( -0.000 -1.745 9.896) 10.049 10.878 ( 0.000 -4.381 -7.405) 8.604 11.330 ( -0.000 0.808 3.954) 4.036 11.536 ( -0.000 3.179 -7.933) 8.546 12.138 ( -0.000 -13.893 10.192) 17.231 12.380 ( 0.000 -10.156 -5.225) 11.422 13.196 ( 0.000 6.067 0.486) 6.086 13.201 ( -0.000 7.074 -0.126) 7.075 24.425 ( -0.000 -0.095 0.790) 0.796 24.443 ( 0.000 -0.145 -0.330) 0.360 24.994 ( -0.000 -6.391 3.712) 7.391 25.093 ( -0.000 -4.942 -2.516) 5.545 25.266 ( -0.000 2.949 4.923) 5.739 25.435 ( 0.000 2.063 -5.472) 5.848 26.081 ( -0.000 2.848 7.306) 7.842 26.330 ( 0.000 3.080 -8.210) 8.768 ======================= Grid point 258 (109/171) ======================= q-point: ( 0.70 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.977 ( -2.240 13.750 10.741) 17.591 2.133 ( -0.380 13.249 -7.388) 15.175 2.338 ( -1.081 13.189 13.079) 18.606 2.553 ( 0.566 9.158 -13.176) 16.056 2.801 ( 3.100 -5.083 1.171) 6.068 2.896 ( -6.761 3.453 0.682) 7.622 3.270 ( 5.444 0.296 4.588) 7.126 3.319 ( 6.015 7.225 1.399) 9.505 3.840 ( 0.131 -3.191 2.884) 4.303 4.024 ( -6.874 0.005 1.578) 7.053 4.156 ( 1.367 -1.702 6.819) 7.160 4.273 ( -0.430 -4.451 -0.583) 4.509 4.508 ( 3.640 -0.406 5.370) 6.500 4.740 ( 4.304 -0.916 -5.470) 7.020 4.802 ( -8.003 1.259 4.392) 9.215 4.941 ( -7.053 -0.696 -4.015) 8.146 5.270 ( 8.631 4.981 15.277) 18.240 5.485 ( 8.791 2.474 0.125) 9.134 5.593 ( 4.516 4.724 -0.125) 6.536 5.749 ( -4.923 6.505 -5.523) 9.852 6.311 ( -3.843 0.816 -2.234) 4.519 6.405 ( 1.460 1.174 -11.245) 11.400 6.702 ( -2.287 1.050 -0.340) 2.540 6.921 ( -7.189 1.498 -8.600) 11.308 9.451 ( 4.568 0.522 2.059) 5.038 9.533 ( 1.632 0.634 -1.406) 2.246 10.635 ( 1.707 -2.262 6.873) 7.434 10.794 ( -1.546 -2.920 -5.532) 6.444 11.399 ( -1.544 1.816 5.476) 5.972 11.522 ( -2.236 3.329 -7.591) 8.586 12.090 ( -0.437 -12.256 8.970) 15.194 12.234 ( -1.219 -10.871 -7.069) 13.024 13.206 ( 3.788 5.284 0.196) 6.505 13.282 ( -0.629 4.537 0.338) 4.593 24.413 ( 1.044 -0.356 0.133) 1.111 24.456 ( -1.020 0.239 0.117) 1.054 24.913 ( 2.932 -4.697 1.125) 5.650 25.083 ( -5.690 -6.705 -0.894) 8.839 25.245 ( 7.993 1.155 1.059) 8.146 25.490 ( -4.313 6.720 -1.083) 8.058 26.052 ( 9.666 3.750 2.798) 10.739 26.382 ( -7.321 -0.138 -3.325) 8.042 ======================= Grid point 259 (110/171) ======================= q-point: ( 0.80 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.206 ( -5.418 8.711 0.000) 10.259 2.218 ( 5.115 9.932 -0.000) 11.172 2.377 ( -2.886 -5.075 0.000) 5.839 2.577 ( 15.606 -2.546 -0.000) 15.812 2.611 ( 0.912 9.851 0.000) 9.893 3.081 ( -5.085 0.888 0.000) 5.162 3.217 ( -1.064 -1.751 0.000) 2.049 3.382 ( 0.454 14.839 0.000) 14.846 3.820 ( 2.556 0.654 -0.000) 2.638 4.082 ( 6.097 5.749 -0.000) 8.380 4.211 ( 2.671 0.020 -0.000) 2.671 4.251 ( -5.628 0.199 0.000) 5.632 4.492 ( -3.471 -3.541 0.000) 4.958 4.626 ( 3.469 -4.238 -0.000) 5.477 4.942 ( -5.491 1.561 0.000) 5.709 5.021 ( -3.328 -3.427 0.000) 4.777 5.165 ( 5.409 -0.225 -0.000) 5.413 5.328 ( 11.908 -1.399 -0.000) 11.990 5.481 ( 13.300 2.176 -0.000) 13.477 5.920 ( -5.536 10.104 0.000) 11.521 6.392 ( -3.767 0.611 0.000) 3.816 6.394 ( -5.877 2.535 0.000) 6.401 6.778 ( -6.587 -0.254 0.000) 6.592 7.031 ( -6.323 2.614 0.000) 6.842 9.375 ( 5.218 0.100 -0.000) 5.219 9.499 ( 2.950 1.031 -0.000) 3.125 10.586 ( 3.365 -2.795 -0.000) 4.374 10.802 ( -3.328 -0.963 0.000) 3.465 11.461 ( -0.080 2.402 0.000) 2.403 11.581 ( -4.803 3.690 0.000) 6.057 12.036 ( -0.830 -9.555 -0.000) 9.591 12.126 ( -3.369 -10.607 -0.000) 11.129 13.182 ( 4.743 3.962 -0.000) 6.180 13.311 ( 1.495 2.458 -0.000) 2.876 24.398 ( 0.283 -0.328 -0.000) 0.433 24.472 ( -0.282 0.422 0.000) 0.508 24.858 ( -0.026 -2.388 -0.000) 2.388 25.101 ( 4.679 0.697 -0.000) 4.730 25.114 ( -1.909 -8.095 -0.000) 8.317 25.636 ( -2.938 10.353 0.000) 10.762 25.937 ( 10.394 4.495 -0.000) 11.324 26.456 ( -5.658 -4.129 0.000) 7.004 ======================= Grid point 265 (111/171) ======================= q-point: ( 0.30 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.650 ( 14.409 0.000 6.824) 15.943 1.992 ( 6.279 0.000 3.423) 7.152 2.485 ( 7.489 0.000 2.053) 7.765 2.587 ( -6.580 0.000 6.864) 9.508 2.595 ( -7.122 -0.000 -10.216) 12.453 2.773 ( 2.527 0.000 3.729) 4.504 2.993 ( 18.463 0.000 -0.212) 18.465 3.176 ( 0.931 0.000 12.121) 12.157 3.622 ( -6.228 0.000 4.434) 7.645 4.065 ( -1.487 -0.000 -5.439) 5.639 4.101 ( 0.246 -0.000 -0.442) 0.505 4.205 ( -5.500 -0.000 1.134) 5.616 4.270 ( -1.789 -0.000 -0.402) 1.834 4.538 ( -3.355 0.000 2.042) 3.927 4.744 ( 5.875 0.000 9.949) 11.554 4.907 ( 7.844 0.000 8.982) 11.925 5.248 ( -3.912 -0.000 -0.871) 4.007 5.470 ( -0.350 -0.000 -3.484) 3.501 5.497 ( 1.516 -0.000 -1.758) 2.321 5.704 ( -3.130 -0.000 -13.826) 14.176 6.593 ( 2.058 -0.000 -14.015) 14.166 6.593 ( 3.101 0.000 4.291) 5.294 7.078 ( 0.243 0.000 1.471) 1.491 7.229 ( 6.565 -0.000 -8.971) 11.117 9.230 ( 1.231 0.000 1.749) 2.139 9.424 ( -2.269 -0.000 -2.158) 3.131 10.498 ( 0.366 0.000 7.014) 7.024 10.941 ( -4.586 -0.000 -5.428) 7.106 11.419 ( -0.476 -0.000 -0.814) 0.943 11.626 ( -0.307 -0.000 -6.913) 6.920 12.403 ( -3.261 0.000 6.384) 7.169 12.417 ( -5.928 0.000 7.052) 9.212 12.858 ( 5.150 0.000 1.812) 5.460 13.080 ( 1.816 -0.000 -2.112) 2.785 24.415 ( 0.039 0.000 0.273) 0.276 24.432 ( -0.178 -0.000 -0.037) 0.181 24.814 ( -2.338 -0.000 0.539) 2.399 25.001 ( 3.073 -0.000 -4.569) 5.506 25.219 ( -3.134 0.000 2.414) 3.956 25.339 ( -3.740 -0.000 -2.258) 4.368 26.055 ( 3.796 0.000 6.549) 7.569 26.505 ( 0.689 -0.000 -4.126) 4.183 ======================= Grid point 269 (112/171) ======================= q-point: (-0.30 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.929 ( -0.000 12.273 -11.676) 16.939 1.929 ( 0.000 12.273 11.676) 16.939 2.224 ( -0.000 25.655 -14.190) 29.318 2.224 ( -0.000 25.655 14.190) 29.318 2.894 ( 0.000 -7.448 -4.813) 8.868 2.894 ( 0.000 -7.448 4.813) 8.868 3.329 ( -0.000 2.864 -1.497) 3.232 3.329 ( -0.000 2.864 1.497) 3.232 3.945 ( -0.000 -5.512 -2.431) 6.024 3.945 ( 0.000 -5.512 2.431) 6.024 4.267 ( -0.000 -5.145 -3.147) 6.031 4.267 ( 0.000 -5.145 3.147) 6.031 4.654 ( -0.000 1.901 -4.929) 5.283 4.654 ( 0.000 1.901 4.929) 5.283 4.804 ( -0.000 1.774 -3.055) 3.533 4.804 ( 0.000 1.774 3.055) 3.533 5.451 ( -0.000 7.385 -22.254) 23.447 5.451 ( 0.000 7.385 22.254) 23.447 5.577 ( 0.000 4.003 -1.112) 4.154 5.577 ( 0.000 4.003 1.112) 4.154 6.326 ( -0.000 0.064 -10.140) 10.140 6.326 ( 0.000 0.064 10.140) 10.140 6.734 ( -0.000 1.591 -9.636) 9.766 6.734 ( 0.000 1.591 9.636) 9.766 9.515 ( -0.000 0.562 -3.333) 3.380 9.515 ( 0.000 0.562 3.333) 3.380 10.746 ( -0.000 -2.991 -9.145) 9.622 10.746 ( 0.000 -2.991 9.145) 9.622 11.417 ( -0.000 2.010 -6.761) 7.053 11.417 ( 0.000 2.010 6.761) 7.053 12.279 ( 0.000 -12.490 -7.578) 14.610 12.279 ( 0.000 -12.490 7.578) 14.610 13.200 ( -0.000 6.833 -0.003) 6.833 13.200 ( -0.000 6.833 0.003) 6.833 24.436 ( -0.000 -0.116 -0.498) 0.511 24.436 ( 0.000 -0.116 0.498) 0.511 25.048 ( -0.000 -5.836 -2.664) 6.416 25.048 ( 0.000 -5.836 2.664) 6.416 25.349 ( -0.000 2.540 -5.110) 5.707 25.349 ( 0.000 2.540 5.110) 5.707 26.202 ( 0.000 2.948 -7.277) 7.851 26.202 ( 0.000 2.948 7.277) 7.851 ======================= Grid point 276 (113/171) ======================= q-point: ( 0.30 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.912 ( 11.156 1.526 4.487) 12.121 2.062 ( -0.706 0.123 -4.900) 4.952 2.291 ( -2.746 4.176 -8.351) 9.733 2.468 ( -5.129 -9.457 -8.428) 13.667 2.798 ( 7.964 2.997 15.616) 17.784 2.872 ( 1.351 -0.305 9.265) 9.368 3.182 ( 6.716 2.032 -3.107) 7.674 3.248 ( -7.224 0.614 16.825) 18.321 3.598 ( 1.203 -3.947 -3.510) 5.417 3.954 ( -0.900 7.778 -4.531) 9.047 4.034 ( 0.497 9.442 -1.140) 9.523 4.161 ( -2.246 -0.136 -0.531) 2.312 4.253 ( -6.227 -8.066 -4.293) 11.058 4.490 ( -1.707 -4.489 -7.010) 8.497 4.776 ( -3.367 -3.657 -0.843) 5.042 5.078 ( 6.083 0.998 -2.727) 6.741 5.301 ( 0.980 -0.743 5.605) 5.739 5.350 ( -7.051 -1.082 -0.441) 7.147 5.496 ( 0.165 0.574 2.066) 2.151 5.607 ( 3.289 0.105 -7.665) 8.342 6.628 ( 8.797 0.870 0.315) 8.846 6.709 ( 4.822 0.443 7.122) 8.612 7.104 ( 1.249 -0.592 0.706) 1.552 7.266 ( 5.507 0.422 -6.970) 8.894 9.270 ( 1.943 0.516 1.868) 2.744 9.388 ( -0.302 -0.340 -1.771) 1.829 10.539 ( -0.809 1.651 5.192) 5.507 10.830 ( -4.210 -1.373 -4.739) 6.486 11.404 ( -0.960 0.068 0.214) 0.986 11.573 ( -1.186 -2.413 -5.872) 6.458 12.319 ( -3.875 7.038 5.522) 9.749 12.435 ( -4.135 -4.296 4.023) 7.192 12.950 ( 4.799 0.616 1.050) 4.951 13.100 ( 2.026 -1.380 -2.656) 3.614 24.419 ( 0.237 -0.132 -0.174) 0.323 24.422 ( -0.776 -0.036 -0.256) 0.818 24.806 ( 0.657 0.147 1.656) 1.787 25.015 ( 3.608 -0.063 -5.746) 6.785 25.199 ( -2.769 -1.745 2.393) 4.054 25.278 ( -2.778 -1.612 -2.011) 3.790 26.110 ( 3.614 10.743 5.352) 12.535 26.520 ( -0.052 -7.416 -2.550) 7.843 ======================= Grid point 277 (114/171) ======================= q-point: ( 0.40 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.770 ( 12.531 -0.000 8.014) 14.874 1.971 ( 6.611 0.000 -3.691) 7.571 2.405 ( -6.748 -0.000 -5.572) 8.751 2.443 ( -11.992 0.000 -7.978) 14.404 2.848 ( 6.864 -0.000 4.910) 8.439 2.872 ( 8.634 0.000 15.315) 17.581 3.008 ( 8.112 0.000 5.638) 9.878 3.299 ( 7.083 -0.000 1.858) 7.322 3.751 ( -12.761 0.000 10.121) 16.288 3.970 ( -2.258 0.000 -6.161) 6.561 4.118 ( -1.402 -0.000 4.234) 4.460 4.225 ( -6.433 0.000 1.374) 6.578 4.259 ( -2.638 0.000 -0.946) 2.803 4.475 ( -6.626 0.000 -8.789) 11.007 4.842 ( -4.950 -0.000 2.537) 5.562 4.975 ( 3.882 0.000 -0.989) 4.006 5.295 ( 3.389 0.000 5.676) 6.610 5.423 ( -0.822 0.000 -2.319) 2.461 5.476 ( 3.123 0.000 -1.460) 3.448 5.499 ( -0.070 -0.000 -9.332) 9.332 6.469 ( 9.532 -0.000 -0.151) 9.533 6.660 ( 6.136 0.000 0.719) 6.178 7.082 ( 8.823 -0.000 -7.008) 11.268 7.087 ( 1.415 0.000 -0.791) 1.621 9.272 ( 0.314 -0.000 3.295) 3.310 9.382 ( -1.643 0.000 -3.098) 3.507 10.615 ( -1.143 -0.000 7.646) 7.731 10.846 ( -3.837 -0.000 -6.547) 7.589 11.420 ( -0.140 -0.000 1.061) 1.071 11.526 ( -0.190 0.000 -5.504) 5.508 12.483 ( -3.948 -0.000 3.590) 5.336 12.496 ( -5.383 0.000 2.976) 6.150 12.901 ( 3.819 -0.000 3.603) 5.250 13.033 ( 1.848 0.000 -3.729) 4.162 24.420 ( -0.305 -0.000 0.369) 0.479 24.430 ( -0.437 0.000 -0.205) 0.482 24.833 ( -2.102 -0.000 1.958) 2.872 24.932 ( 0.679 0.000 -4.046) 4.102 25.253 ( -2.694 -0.000 1.856) 3.272 25.307 ( -3.314 -0.000 -1.832) 3.787 26.171 ( 3.477 0.000 7.919) 8.649 26.418 ( 2.145 -0.000 -6.715) 7.049 ======================= Grid point 287 (115/171) ======================= q-point: ( 0.30 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.842 ( -6.856 7.931 -11.191) 15.334 2.012 ( 3.935 3.802 -1.685) 5.725 2.336 ( 1.361 -6.223 -2.660) 6.903 2.506 ( 6.667 -6.956 -0.559) 9.652 2.843 ( -3.138 5.544 5.945) 8.713 3.009 ( -0.349 6.671 13.504) 15.066 3.130 ( -7.243 0.016 4.148) 8.347 3.273 ( -0.246 1.137 7.685) 7.772 3.596 ( -1.053 0.153 -11.479) 11.528 3.789 ( -8.984 -1.965 -5.162) 10.546 4.008 ( 6.139 6.073 -0.079) 8.636 4.106 ( 1.970 3.517 -1.403) 4.269 4.182 ( -1.538 -1.061 -6.214) 6.489 4.444 ( -2.269 -5.658 -8.668) 10.597 4.832 ( 3.034 -3.834 1.348) 5.072 4.990 ( -3.229 2.417 -9.333) 10.167 5.213 ( -9.170 -1.938 3.245) 9.919 5.346 ( -5.429 -3.599 -1.448) 6.673 5.582 ( 5.354 1.958 5.824) 8.150 5.683 ( 8.855 -0.257 0.219) 8.861 6.823 ( 10.131 0.502 8.150) 13.012 6.844 ( 6.191 0.476 5.628) 8.380 7.137 ( 1.007 -1.013 1.145) 1.831 7.278 ( 2.897 0.910 -5.837) 6.580 9.300 ( 1.765 2.123 0.860) 2.892 9.401 ( 1.928 -1.496 -0.407) 2.474 10.502 ( -2.711 4.757 1.135) 5.592 10.783 ( -2.235 -5.429 -1.733) 6.122 11.393 ( -0.748 -0.197 0.536) 0.941 11.543 ( -2.075 -4.389 -3.697) 6.102 12.229 ( -3.542 6.657 3.834) 8.459 12.437 ( -2.753 -3.273 2.208) 4.814 13.018 ( 4.616 1.871 -0.007) 4.981 13.126 ( 1.820 -1.098 -2.235) 3.084 24.408 ( -0.734 -0.116 0.036) 0.744 24.421 ( 0.079 -0.242 -0.687) 0.733 24.845 ( 2.272 1.613 1.922) 3.385 25.046 ( 4.145 -1.983 -2.809) 5.386 25.197 ( -2.045 -2.834 0.881) 3.604 25.244 ( -1.343 -1.510 -2.250) 3.024 26.067 ( 3.025 14.000 2.512) 14.541 26.591 ( -0.255 -8.649 -0.192) 8.655 ======================= Grid point 288 (116/171) ======================= q-point: ( 0.40 0.70 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.957 ( 6.354 4.264 1.112) 7.733 1.997 ( -8.029 3.585 -2.494) 9.140 2.221 ( 4.982 -3.580 0.275) 6.141 2.341 ( -3.809 -8.801 -6.636) 11.662 2.944 ( 4.784 8.014 4.873) 10.529 3.108 ( 2.357 1.777 1.867) 3.492 3.167 ( 6.115 -3.845 14.896) 16.555 3.401 ( 5.485 -1.038 -6.472) 8.547 3.594 ( -13.291 3.801 8.505) 16.230 3.861 ( -7.232 -3.537 -6.625) 10.426 4.039 ( -2.682 8.085 1.873) 8.722 4.150 ( -3.572 5.369 -3.043) 7.131 4.186 ( -5.416 -3.873 -1.702) 6.872 4.355 ( -1.803 -7.128 -6.768) 9.993 4.809 ( -1.859 -2.443 5.109) 5.961 4.945 ( -0.997 -0.956 -10.099) 10.193 5.346 ( -4.888 -0.059 1.446) 5.098 5.385 ( -2.540 -2.096 1.727) 3.719 5.530 ( 6.879 1.219 1.166) 7.082 5.543 ( 7.161 0.432 -1.308) 7.292 6.688 ( 11.763 0.038 6.362) 13.373 6.768 ( 7.615 -0.152 -0.998) 7.682 7.118 ( 2.362 0.013 0.788) 2.490 7.159 ( 5.809 0.247 -4.719) 7.489 9.302 ( 1.145 1.366 1.828) 2.553 9.358 ( 0.677 -1.255 -1.687) 2.208 10.615 ( -2.940 4.345 3.722) 6.433 10.759 ( -2.938 -4.086 -3.529) 6.146 11.418 ( -0.706 1.255 1.212) 1.882 11.499 ( -0.724 -3.463 -3.154) 4.740 12.378 ( -4.067 6.385 1.917) 7.809 12.476 ( -4.016 -3.158 1.257) 5.261 12.973 ( 3.790 2.134 1.458) 4.587 13.059 ( 1.933 -3.069 -2.088) 4.185 24.417 ( -0.325 -0.115 -0.003) 0.345 24.419 ( -0.642 -0.080 -0.175) 0.671 24.846 ( 1.195 0.875 3.023) 3.366 24.929 ( 3.077 -1.144 -4.588) 5.641 25.230 ( -2.844 -1.553 1.615) 3.621 25.253 ( -2.919 -1.745 -1.314) 3.645 26.183 ( 2.760 14.370 3.040) 14.945 26.477 ( 1.422 -10.885 -2.086) 11.174 ======================= Grid point 289 (117/171) ======================= q-point: (-0.50 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.890 ( 9.755 0.000 -5.285) 11.094 1.890 ( 9.755 0.000 5.285) 11.094 2.365 ( -11.458 -0.000 -0.226) 11.460 2.365 ( -11.458 -0.000 0.226) 11.460 2.913 ( 11.997 0.000 -1.039) 12.042 2.913 ( 11.997 0.000 1.039) 12.042 3.219 ( 3.233 -0.000 -11.685) 12.124 3.219 ( 3.233 0.000 11.685) 12.124 3.876 ( -6.192 -0.000 -4.622) 7.727 3.876 ( -6.192 0.000 4.622) 7.727 4.236 ( -0.724 0.000 -1.786) 1.928 4.236 ( -0.724 0.000 1.786) 1.928 4.284 ( -11.554 -0.000 -12.156) 16.770 4.284 ( -11.554 0.000 12.156) 16.770 4.903 ( -3.693 -0.000 -5.662) 6.760 4.903 ( -3.693 0.000 5.662) 6.760 5.376 ( 3.671 -0.000 -4.149) 5.540 5.376 ( 3.671 0.000 4.149) 5.540 5.447 ( 2.498 0.000 -1.092) 2.726 5.447 ( 2.498 0.000 1.092) 2.726 6.568 ( 10.432 -0.000 -9.781) 14.300 6.568 ( 10.432 0.000 9.781) 14.300 7.056 ( 5.076 0.000 -1.995) 5.454 7.056 ( 5.076 0.000 1.995) 5.454 9.328 ( -0.737 -0.000 -3.462) 3.540 9.328 ( -0.737 0.000 3.462) 3.540 10.735 ( -2.632 -0.000 -6.836) 7.325 10.735 ( -2.632 0.000 6.836) 7.325 11.455 ( -0.040 -0.000 -2.959) 2.959 11.455 ( -0.040 0.000 2.959) 2.959 12.515 ( -4.627 0.000 -0.063) 4.628 12.515 ( -4.627 0.000 0.063) 4.628 12.967 ( 2.558 0.000 -3.478) 4.317 12.967 ( 2.558 0.000 3.478) 4.317 24.426 ( -0.494 -0.000 -0.305) 0.581 24.426 ( -0.494 0.000 0.305) 0.581 24.875 ( -1.119 -0.000 -3.149) 3.342 24.875 ( -1.119 0.000 3.149) 3.342 25.280 ( -2.814 -0.000 -1.588) 3.231 25.280 ( -2.814 0.000 1.588) 3.231 26.299 ( 3.014 -0.000 -5.130) 5.950 26.299 ( 3.014 0.000 5.130) 5.950 ======================= Grid point 298 (118/171) ======================= q-point: ( 0.30 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( -6.927 10.331 -8.101) 14.844 1.953 ( -2.881 9.267 -1.486) 9.818 2.335 ( -1.462 -2.901 -3.893) 5.071 2.735 ( 3.526 1.773 4.808) 6.220 2.770 ( 0.131 -2.015 4.196) 4.657 2.870 ( -10.811 5.005 3.003) 12.286 3.079 ( -2.055 3.384 -2.254) 4.556 3.302 ( -1.886 0.652 1.895) 2.752 3.373 ( -7.007 1.177 -6.296) 9.494 3.764 ( 0.437 -3.499 4.116) 5.420 4.008 ( -3.956 6.541 -10.272) 12.804 4.064 ( 7.798 8.238 0.206) 11.345 4.249 ( 7.472 -3.249 2.858) 8.634 4.388 ( -1.640 -3.531 -7.044) 8.048 4.848 ( -2.186 4.808 -1.470) 5.483 4.965 ( 5.772 -2.575 0.955) 6.392 5.122 ( -8.196 -6.229 1.102) 10.353 5.243 ( -9.238 -4.883 -2.004) 10.640 5.644 ( 2.198 4.715 1.714) 5.477 5.864 ( 10.346 -1.382 1.782) 10.589 6.983 ( 6.519 0.264 3.227) 7.279 7.036 ( 7.701 -0.647 6.960) 10.400 7.175 ( 0.087 -1.291 2.922) 3.196 7.251 ( 0.410 0.530 -5.642) 5.682 9.304 ( 1.450 3.014 0.095) 3.346 9.461 ( 3.027 -1.898 0.142) 3.576 10.404 ( -2.649 5.307 -0.579) 5.960 10.819 ( -0.862 -7.599 -0.154) 7.649 11.394 ( -0.267 -1.035 0.280) 1.105 11.524 ( -3.671 -4.794 -1.578) 6.241 12.131 ( -3.343 6.429 1.899) 7.491 12.451 ( -1.181 -3.382 1.066) 3.738 13.068 ( 4.689 2.799 -0.354) 5.472 13.142 ( 1.477 0.306 -1.397) 2.056 24.403 ( -0.381 -0.191 0.515) 0.668 24.416 ( 0.059 -0.178 -0.930) 0.949 24.851 ( -0.092 2.581 0.348) 2.606 25.151 ( 3.115 -2.257 3.434) 5.157 25.198 ( -2.187 -4.919 -0.823) 5.446 25.235 ( 4.412 0.451 -3.832) 5.861 25.992 ( 2.821 12.964 0.747) 13.288 26.662 ( -0.871 -6.936 0.552) 7.012 ======================= Grid point 299 (119/171) ======================= q-point: ( 0.40 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.749 ( -8.414 8.670 0.000) 12.081 1.993 ( 1.995 2.072 -0.000) 2.877 2.318 ( -1.670 -3.892 0.000) 4.235 2.496 ( 12.054 -9.095 -0.000) 15.100 2.897 ( -2.083 8.630 0.000) 8.878 3.110 ( 0.572 3.271 0.000) 3.321 3.226 ( -14.423 5.734 0.000) 15.521 3.380 ( -0.041 2.045 0.000) 2.046 3.433 ( -3.705 1.951 0.000) 4.187 3.732 ( -9.697 -12.488 0.000) 15.810 4.009 ( 6.567 6.383 -0.000) 9.157 4.091 ( 2.931 7.212 -0.000) 7.785 4.130 ( -1.253 -1.201 0.000) 1.736 4.364 ( -2.348 -5.294 0.000) 5.791 4.865 ( 2.288 -2.509 -0.000) 3.395 4.892 ( -0.789 0.078 0.000) 0.792 5.241 ( -9.680 -3.016 0.000) 10.139 5.331 ( -6.797 -2.856 0.000) 7.373 5.627 ( 5.862 3.412 -0.000) 6.783 5.689 ( 10.188 -0.615 -0.000) 10.207 6.873 ( 8.575 0.904 -0.000) 8.623 6.922 ( 9.116 -1.498 -0.000) 9.238 7.169 ( 2.774 0.724 -0.000) 2.867 7.195 ( 2.152 -0.327 -0.000) 2.177 9.308 ( 1.385 2.464 -0.000) 2.827 9.398 ( 2.368 -1.886 -0.000) 3.028 10.512 ( -3.707 5.934 0.000) 6.997 10.769 ( -1.735 -6.629 -0.000) 6.852 11.399 ( -0.588 0.581 0.000) 0.826 11.512 ( -1.738 -4.904 -0.000) 5.202 12.260 ( -3.685 6.471 0.000) 7.446 12.454 ( -2.524 -2.758 0.000) 3.738 13.019 ( 4.258 2.413 -0.000) 4.894 13.105 ( 1.595 -1.719 -0.000) 2.345 24.410 ( -0.334 -0.122 0.000) 0.356 24.413 ( -0.448 -0.268 0.000) 0.522 24.866 ( 1.757 2.912 -0.000) 3.401 25.015 ( 6.437 -3.775 -0.000) 7.463 25.205 ( -2.437 -1.001 0.000) 2.635 25.228 ( -2.627 -3.067 0.000) 4.038 26.088 ( 2.620 14.722 0.000) 14.953 26.588 ( 0.389 -9.238 -0.000) 9.246 ======================= Grid point 308 (120/171) ======================= q-point: ( 0.30 -0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( -9.431 13.923 0.000) 16.817 1.686 ( -12.606 16.553 0.000) 20.807 2.298 ( -1.798 5.583 0.000) 5.866 2.594 ( -12.186 2.077 0.000) 12.362 2.644 ( -1.765 8.664 0.000) 8.842 2.931 ( -4.989 10.667 0.000) 11.776 3.032 ( 8.738 -8.104 -0.000) 11.917 3.254 ( -2.930 -8.953 -0.000) 9.420 3.383 ( 4.378 1.280 -0.000) 4.561 3.796 ( -2.800 6.570 0.000) 7.142 3.798 ( 0.325 9.891 0.000) 9.896 4.110 ( 7.279 5.118 -0.000) 8.898 4.308 ( -5.017 -1.228 0.000) 5.165 4.456 ( 7.285 -4.545 -0.000) 8.587 4.779 ( -1.098 0.545 0.000) 1.225 5.009 ( -14.408 -9.315 0.000) 17.157 5.064 ( -5.463 -3.903 0.000) 6.714 5.256 ( 13.997 0.735 -0.000) 14.017 5.604 ( -0.811 5.865 0.000) 5.921 6.055 ( 9.114 -2.749 -0.000) 9.520 7.089 ( 4.917 -0.182 -0.000) 4.921 7.148 ( -4.231 -0.324 0.000) 4.244 7.198 ( 3.551 -2.047 -0.000) 4.098 7.234 ( 1.628 -0.208 -0.000) 1.642 9.294 ( 1.235 3.341 -0.000) 3.561 9.531 ( 2.970 -2.053 -0.000) 3.611 10.321 ( -0.900 4.661 0.000) 4.747 10.892 ( -0.094 -8.708 -0.000) 8.709 11.409 ( 0.112 -1.930 -0.000) 1.933 11.483 ( -5.760 -3.891 0.000) 6.951 12.025 ( -2.836 6.180 0.000) 6.800 12.479 ( -0.215 -3.571 -0.000) 3.577 13.115 ( 4.897 3.137 -0.000) 5.816 13.146 ( 1.008 1.880 -0.000) 2.133 24.398 ( -0.575 -0.034 0.000) 0.576 24.422 ( 0.751 -0.255 -0.000) 0.793 24.810 ( -2.067 1.713 0.000) 2.685 25.166 ( 1.195 4.093 0.000) 4.264 25.191 ( -4.013 -4.718 0.000) 6.193 25.388 ( 10.239 -3.508 -0.000) 10.823 25.920 ( 2.456 11.074 0.000) 11.343 26.704 ( -1.592 -5.212 -0.000) 5.450 ======================= Grid point 318 (121/171) ======================= q-point: ( 0.30 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( -0.000 18.211 0.000) 18.211 1.342 ( -0.000 21.575 0.000) 21.575 2.345 ( 0.000 -10.560 -0.000) 10.560 2.347 ( -0.000 27.081 0.000) 27.081 2.618 ( -0.000 8.801 0.000) 8.801 2.821 ( -0.000 12.738 0.000) 12.738 3.196 ( 0.000 -4.274 -0.000) 4.274 3.205 ( 0.000 -17.574 -0.000) 17.574 3.464 ( -0.000 6.739 0.000) 6.739 3.789 ( -0.000 19.605 0.000) 19.605 4.032 ( 0.000 -5.656 -0.000) 5.656 4.079 ( 0.000 -6.258 -0.000) 6.258 4.306 ( -0.000 4.301 0.000) 4.301 4.489 ( 0.000 -1.416 -0.000) 1.416 4.582 ( 0.000 -2.943 -0.000) 2.943 4.767 ( 0.000 -4.121 -0.000) 4.121 5.000 ( -0.000 1.895 0.000) 1.895 5.573 ( -0.000 6.175 0.000) 6.175 5.692 ( -0.000 1.872 0.000) 1.872 6.184 ( 0.000 -14.192 -0.000) 14.192 6.967 ( -0.000 5.454 0.000) 5.454 7.162 ( 0.000 -0.631 -0.000) 0.631 7.269 ( 0.000 -0.581 -0.000) 0.581 7.279 ( 0.000 -2.041 -0.000) 2.041 9.321 ( -0.000 3.208 0.000) 3.208 9.586 ( 0.000 -2.685 -0.000) 2.685 10.329 ( -0.000 4.469 0.000) 4.469 10.891 ( 0.000 -9.563 -0.000) 9.563 11.350 ( 0.000 -0.739 -0.000) 0.739 11.411 ( 0.000 -2.292 -0.000) 2.292 11.974 ( -0.000 6.394 0.000) 6.394 12.475 ( 0.000 -4.268 -0.000) 4.268 13.167 ( -0.000 2.737 0.000) 2.737 13.209 ( -0.000 0.310 0.000) 0.310 24.389 ( -0.000 0.226 0.000) 0.226 24.439 ( 0.000 -0.484 -0.000) 0.484 24.760 ( -0.000 1.878 0.000) 1.878 25.111 ( 0.000 -4.119 -0.000) 4.119 25.205 ( -0.000 6.285 0.000) 6.285 25.602 ( 0.000 -4.340 -0.000) 4.340 25.960 ( -0.000 9.962 0.000) 9.962 26.659 ( 0.000 -5.503 -0.000) 5.503 ======================= Grid point 319 (122/171) ======================= q-point: ( 0.40 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.355 ( -4.906 16.274 12.424) 21.054 1.666 ( -10.287 19.277 3.255) 22.091 2.282 ( -2.205 -10.371 7.451) 12.959 2.574 ( -1.041 14.898 -1.626) 15.022 2.684 ( -0.947 3.384 -0.692) 3.581 2.941 ( -2.175 6.149 -5.490) 8.525 3.079 ( 0.333 -8.704 3.106) 9.247 3.115 ( 0.348 -6.862 5.960) 9.095 3.480 ( 5.623 5.057 -3.386) 8.286 3.909 ( 7.744 6.811 1.219) 10.385 3.934 ( 0.341 5.041 2.622) 5.693 4.130 ( -5.982 3.386 0.574) 6.898 4.321 ( 2.735 4.155 -0.425) 4.992 4.497 ( 2.221 -5.129 3.061) 6.372 4.687 ( -14.046 -2.425 1.930) 14.384 4.741 ( -2.765 -2.721 0.236) 3.886 5.023 ( 0.987 2.590 0.420) 2.803 5.529 ( 17.090 -1.266 -0.860) 17.159 5.639 ( -1.265 5.300 -0.762) 5.502 6.048 ( -1.184 -9.798 -4.236) 10.740 7.053 ( -4.005 3.439 -3.508) 6.338 7.142 ( 1.910 -0.817 -0.925) 2.274 7.223 ( 2.656 -1.394 -2.167) 3.701 7.250 ( 0.289 -1.306 -1.007) 1.675 9.349 ( 0.931 3.440 0.621) 3.618 9.545 ( 1.580 -2.836 0.135) 3.250 10.372 ( 0.416 5.364 0.513) 5.404 10.801 ( -0.226 -8.953 0.138) 8.957 11.366 ( -2.509 -1.214 -1.847) 3.344 11.403 ( -1.308 -2.363 2.516) 3.691 12.045 ( -1.533 6.698 -1.724) 7.084 12.425 ( -0.365 -5.024 -1.552) 5.271 13.185 ( 1.303 1.788 0.786) 2.348 13.200 ( 2.016 0.908 1.558) 2.705 24.394 ( -0.127 0.300 0.083) 0.336 24.430 ( 0.470 -0.517 0.220) 0.733 24.798 ( -1.679 2.718 0.033) 3.195 25.083 ( -2.387 -5.235 -0.744) 5.802 25.248 ( 2.414 5.401 0.225) 5.920 25.504 ( 6.465 -3.455 0.871) 7.382 26.053 ( 0.902 10.628 -0.118) 10.667 26.610 ( -1.663 -6.688 -1.165) 6.990 ======================= Grid point 320 (123/171) ======================= q-point: ( 0.50 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.692 ( -3.720 12.646 16.408) 21.047 1.983 ( -5.188 7.754 5.202) 10.682 2.345 ( -4.411 -2.279 9.833) 11.015 2.607 ( -2.155 -0.047 -10.122) 10.349 2.711 ( -0.068 -3.828 -3.723) 5.340 2.893 ( 1.058 2.969 0.418) 3.179 3.099 ( -1.654 -0.358 2.801) 3.272 3.232 ( -7.685 -1.392 10.363) 12.976 3.371 ( 4.988 5.002 -6.421) 9.546 3.832 ( 7.449 3.196 1.758) 8.294 4.099 ( -3.994 4.433 10.450) 12.033 4.201 ( 0.581 1.189 -0.455) 1.399 4.288 ( 4.479 2.131 -1.229) 5.110 4.437 ( 3.373 -3.804 7.506) 9.066 4.834 ( -8.473 0.875 -0.906) 8.566 4.886 ( -7.685 1.086 0.430) 7.774 5.031 ( -0.700 -0.732 3.055) 3.218 5.233 ( 12.433 -3.385 1.070) 12.930 5.686 ( 0.262 4.140 -3.848) 5.659 5.933 ( 3.437 -4.642 -3.138) 6.573 7.010 ( 3.936 1.167 -11.036) 11.775 7.069 ( 3.027 -1.898 -7.006) 7.864 7.169 ( 1.878 -0.003 1.317) 2.294 7.264 ( -2.803 0.204 0.739) 2.906 9.365 ( 1.858 3.368 0.409) 3.869 9.484 ( 2.535 -2.572 0.034) 3.612 10.438 ( -0.791 5.873 0.992) 6.009 10.730 ( -0.960 -7.848 0.799) 7.947 11.365 ( -1.115 -1.153 -1.497) 2.194 11.444 ( -3.429 -2.697 2.806) 5.187 12.124 ( -2.554 6.605 -3.537) 7.915 12.369 ( -1.376 -5.315 -2.986) 6.250 13.163 ( 3.629 1.278 1.123) 4.008 13.196 ( 2.065 0.621 2.750) 3.494 24.395 ( 0.018 -0.007 -0.329) 0.330 24.425 ( 0.180 -0.211 1.064) 1.100 24.858 ( -1.841 3.302 -0.790) 3.862 25.065 ( -2.965 -6.169 -1.429) 6.992 25.217 ( 5.185 2.337 -2.006) 6.031 25.390 ( 6.891 -0.654 5.531) 8.860 26.139 ( 1.338 11.527 -1.147) 11.661 26.554 ( -1.738 -8.309 -1.634) 8.644 ======================= Grid point 321 (124/171) ======================= q-point: ( 0.60 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.969 ( -1.593 8.565 16.312) 18.493 2.093 ( 0.338 -1.929 9.686) 9.882 2.405 ( 6.692 0.428 2.365) 7.111 2.534 ( 3.176 -1.678 -5.854) 6.868 2.631 ( -9.689 -4.269 -8.675) 13.687 3.002 ( -2.757 8.946 -3.178) 9.886 3.080 ( 3.984 -0.696 -5.225) 6.607 3.239 ( -0.478 -2.398 -1.109) 2.684 3.580 ( -14.563 0.006 15.395) 21.191 3.775 ( 6.188 1.365 4.052) 7.522 4.130 ( 3.479 2.493 0.746) 4.344 4.206 ( 3.527 0.109 -0.339) 3.545 4.275 ( 3.942 2.849 8.085) 9.436 4.448 ( 0.176 -3.606 10.116) 10.741 4.892 ( 1.518 0.494 -1.973) 2.538 4.937 ( -1.660 -3.663 0.224) 4.028 5.110 ( -7.509 5.388 4.587) 10.318 5.219 ( -5.823 -4.005 6.321) 9.482 5.610 ( 4.831 0.368 -10.214) 11.305 5.804 ( 6.608 -0.609 -1.432) 6.789 6.858 ( 4.826 2.097 -11.560) 12.701 6.900 ( 5.819 -2.001 -9.571) 11.379 7.156 ( 1.766 -0.079 2.028) 2.690 7.321 ( -2.176 0.631 0.781) 2.396 9.354 ( 2.909 2.147 -0.847) 3.713 9.422 ( 2.124 -1.655 0.546) 2.747 10.508 ( -0.815 3.771 -1.027) 3.992 10.708 ( -2.844 -4.489 3.055) 6.130 11.366 ( -1.265 -0.537 -0.880) 1.632 11.502 ( -3.110 -1.977 4.335) 5.690 12.199 ( -3.196 6.058 -5.259) 8.635 12.322 ( -2.750 -5.169 -4.256) 7.238 13.113 ( 4.772 0.806 0.993) 4.940 13.183 ( 2.732 -0.027 3.181) 4.194 24.395 ( -0.504 -0.073 -0.144) 0.530 24.431 ( 0.303 -0.092 1.224) 1.265 24.883 ( 1.556 1.861 -2.201) 3.276 25.044 ( -2.179 -3.214 -0.198) 3.888 25.143 ( 1.415 -0.313 -2.714) 3.077 25.343 ( 6.203 0.396 8.221) 10.306 26.210 ( 2.189 10.813 -3.022) 11.439 26.482 ( -1.809 -8.765 -1.122) 9.019 ======================= Grid point 322 (125/171) ======================= q-point: (-0.30 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.050 ( 8.202 0.000 -3.100) 8.768 2.144 ( 2.365 0.000 9.840) 10.120 2.372 ( -1.093 0.000 15.132) 15.171 2.415 ( 2.421 -0.000 -4.115) 4.774 2.731 ( -9.674 -0.000 -8.287) 12.739 2.892 ( 11.260 -0.000 -5.186) 12.397 3.025 ( -2.493 -0.000 -9.748) 10.062 3.287 ( -0.984 0.000 4.928) 5.025 3.684 ( 7.002 0.000 2.655) 7.488 3.935 ( -12.808 0.000 10.558) 16.599 4.143 ( -0.163 0.000 2.402) 2.408 4.157 ( 2.237 0.000 -0.353) 2.265 4.220 ( 6.760 0.000 2.871) 7.345 4.517 ( 0.042 0.000 8.837) 8.837 4.763 ( 4.252 0.000 1.036) 4.376 5.148 ( -15.422 -0.000 3.012) 15.714 5.220 ( 6.501 0.000 2.032) 6.811 5.286 ( -1.120 -0.000 -2.628) 2.857 5.445 ( 0.388 -0.000 -9.912) 9.920 5.720 ( 3.237 0.000 6.396) 7.169 6.716 ( 4.333 -0.000 -6.952) 8.192 6.725 ( 4.849 -0.000 -8.916) 10.149 7.139 ( 2.469 0.000 2.387) 3.434 7.348 ( 0.076 0.000 0.876) 0.879 9.301 ( 2.943 -0.000 -1.511) 3.308 9.401 ( 0.746 0.000 1.283) 1.484 10.507 ( 0.268 -0.000 -3.569) 3.579 10.785 ( -4.561 0.000 4.655) 6.517 11.383 ( -1.416 -0.000 0.246) 1.437 11.580 ( -2.521 0.000 6.178) 6.672 12.253 ( -4.138 -0.000 -7.042) 8.168 12.297 ( -3.211 -0.000 -5.354) 6.243 13.038 ( 5.617 0.000 0.471) 5.637 13.160 ( 2.953 0.000 2.913) 4.149 24.409 ( -1.024 -0.000 0.218) 1.047 24.430 ( 0.690 0.000 0.822) 1.073 24.828 ( 2.921 -0.000 -1.260) 3.181 25.078 ( -1.642 0.000 2.116) 2.678 25.122 ( -2.050 -0.000 -3.508) 4.063 25.317 ( 4.769 0.000 7.672) 9.034 26.187 ( 3.990 -0.000 -4.912) 6.328 26.467 ( -2.691 -0.000 0.112) 2.694 ======================= Grid point 329 (126/171) ======================= q-point: ( 0.40 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( 0.000 14.812 26.159) 30.061 1.412 ( -0.000 20.370 8.341) 22.012 2.368 ( -0.000 24.058 2.828) 24.224 2.460 ( 0.000 -9.297 13.725) 16.578 2.606 ( -0.000 8.943 -1.528) 9.073 2.799 ( -0.000 9.216 -2.377) 9.518 3.181 ( -0.000 1.140 -2.106) 2.395 3.227 ( 0.000 -14.955 2.748) 15.205 3.483 ( -0.000 4.424 2.649) 5.157 3.867 ( -0.000 18.078 9.330) 20.343 3.917 ( -0.000 -4.883 -8.991) 10.232 4.136 ( 0.000 -6.068 2.273) 6.480 4.291 ( -0.000 3.328 -1.678) 3.727 4.522 ( 0.000 -0.467 4.215) 4.241 4.650 ( 0.000 -3.112 7.975) 8.561 4.758 ( 0.000 -3.560 -1.118) 3.731 5.009 ( -0.000 2.033 1.021) 2.275 5.561 ( -0.000 6.003 -1.488) 6.185 5.690 ( -0.000 1.884 -0.299) 1.907 6.051 ( -0.000 -8.463 -13.748) 16.144 6.945 ( -0.000 4.961 -2.909) 5.751 7.146 ( -0.000 -0.609 -6.268) 6.297 7.221 ( -0.000 -1.524 -7.102) 7.264 7.273 ( 0.000 -3.742 2.206) 4.343 9.335 ( -0.000 3.118 1.713) 3.557 9.587 ( 0.000 -2.480 0.138) 2.484 10.335 ( -0.000 4.535 1.027) 4.650 10.890 ( 0.000 -9.234 -0.201) 9.236 11.333 ( -0.000 -0.618 -1.906) 2.004 11.453 ( 0.000 -4.155 5.098) 6.577 11.948 ( -0.000 6.283 -3.243) 7.070 12.453 ( 0.000 -4.636 -2.747) 5.389 13.185 ( -0.000 2.780 2.098) 3.483 13.226 ( 0.000 0.616 1.879) 1.977 24.392 ( 0.000 0.219 0.377) 0.436 24.440 ( 0.000 -0.453 0.081) 0.460 24.769 ( 0.000 0.993 1.143) 1.515 25.101 ( 0.000 -4.361 -1.240) 4.534 25.215 ( -0.000 6.233 1.279) 6.363 25.599 ( 0.000 -3.563 -0.428) 3.588 25.967 ( -0.000 9.271 0.930) 9.317 26.634 ( 0.000 -4.825 -3.058) 5.712 ======================= Grid point 330 (127/171) ======================= q-point: ( 0.50 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.674 ( -2.258 13.602 23.303) 27.077 1.767 ( -8.124 16.965 10.551) 21.567 2.476 ( 1.872 -0.306 11.698) 11.851 2.553 ( -0.984 -2.780 3.180) 4.337 2.657 ( 0.106 5.406 -2.580) 5.991 2.848 ( -3.140 1.738 -5.257) 6.365 3.152 ( 1.653 -2.045 5.249) 5.871 3.245 ( -5.104 -0.812 10.287) 11.513 3.409 ( 10.953 2.072 -4.369) 11.973 3.885 ( 2.905 7.193 -2.222) 8.069 4.037 ( -4.587 -0.261 6.046) 7.594 4.159 ( -1.180 8.234 3.863) 9.171 4.314 ( 1.488 3.150 -0.036) 3.484 4.574 ( 0.647 -3.535 6.163) 7.134 4.746 ( -3.404 -1.245 0.799) 3.712 4.755 ( -8.510 -2.659 5.888) 10.684 5.038 ( 0.508 2.419 1.613) 2.952 5.503 ( 15.364 -0.947 -2.131) 15.539 5.617 ( -0.013 4.051 -1.768) 4.420 5.948 ( -3.220 -5.111 -6.905) 9.175 6.947 ( 1.650 2.409 -9.926) 10.346 7.056 ( 1.390 0.135 -8.948) 9.056 7.183 ( -3.641 -0.407 -7.323) 8.188 7.218 ( 2.042 -3.003 -0.215) 3.638 9.368 ( 1.538 3.262 1.774) 4.019 9.548 ( 1.873 -2.484 0.213) 3.118 10.392 ( 0.088 5.047 2.192) 5.504 10.804 ( -0.273 -8.320 0.122) 8.326 11.334 ( -2.085 -0.621 -1.860) 2.862 11.463 ( -1.948 -4.813 5.167) 7.325 11.991 ( -1.478 6.535 -5.011) 8.366 12.378 ( -0.579 -5.544 -4.347) 7.069 13.210 ( 2.223 1.908 2.111) 3.611 13.239 ( 1.268 0.984 3.065) 3.459 24.396 ( 0.213 0.151 0.228) 0.347 24.436 ( -0.011 -0.338 0.546) 0.642 24.800 ( -1.405 1.625 0.210) 2.159 25.061 ( -2.476 -5.557 -2.015) 6.409 25.255 ( 3.896 4.956 0.671) 6.340 25.530 ( 4.189 -1.994 2.286) 5.172 26.051 ( 1.500 9.819 -0.049) 9.933 26.574 ( -1.895 -6.002 -3.349) 7.130 ======================= Grid point 331 (128/171) ======================= q-point: ( 0.60 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.007 ( -1.762 10.499 20.253) 22.881 2.087 ( -4.234 10.742 7.796) 13.932 2.451 ( 2.472 -3.456 -8.087) 9.135 2.552 ( -0.533 -6.322 14.527) 15.852 2.638 ( 2.008 -1.897 -5.296) 5.973 2.887 ( -0.193 6.632 -0.217) 6.638 3.147 ( 3.378 -2.544 1.643) 4.536 3.237 ( 2.757 0.123 -1.874) 3.336 3.505 ( -10.687 0.938 16.935) 20.047 3.851 ( 7.526 8.320 1.036) 11.267 4.191 ( 3.474 1.791 0.029) 3.909 4.224 ( -3.214 0.838 1.217) 3.538 4.329 ( -1.223 2.795 7.913) 8.480 4.572 ( 2.123 -2.476 9.053) 9.622 4.797 ( -1.917 -3.628 -2.956) 5.057 4.926 ( -10.124 4.295 3.803) 11.637 5.079 ( 1.916 -0.325 2.097) 2.859 5.280 ( 6.164 -1.027 5.788) 8.518 5.600 ( 2.689 0.428 -6.430) 6.983 5.877 ( 2.792 -1.782 -3.406) 4.751 6.804 ( 4.007 1.782 -13.959) 14.632 6.923 ( 4.373 -1.967 -11.336) 12.309 7.185 ( 0.340 -0.106 0.167) 0.393 7.220 ( -6.072 1.183 -6.236) 8.784 9.373 ( 2.863 2.952 0.578) 4.153 9.486 ( 2.814 -2.084 0.280) 3.513 10.461 ( -0.191 4.484 1.950) 4.893 10.746 ( -1.375 -6.369 1.225) 6.630 11.348 ( -1.546 -0.835 -0.226) 1.772 11.508 ( -3.821 -4.150 5.277) 7.724 12.043 ( -2.515 6.496 -6.663) 9.640 12.300 ( -1.794 -5.861 -5.670) 8.350 13.188 ( 4.140 1.426 1.854) 4.756 13.247 ( 2.081 0.533 3.354) 3.983 24.392 ( 0.139 -0.113 -0.080) 0.196 24.444 ( -0.091 -0.071 1.209) 1.214 24.842 ( -1.581 2.032 -0.996) 2.760 25.036 ( -3.305 -5.874 -2.101) 7.060 25.186 ( 6.603 1.736 -1.811) 7.064 25.498 ( 4.518 0.910 7.932) 9.174 26.115 ( 2.090 10.765 -1.811) 11.114 26.514 ( -2.252 -7.830 -3.460) 8.852 ======================= Grid point 332 (129/171) ======================= q-point: ( 0.70 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.140 ( 6.801 2.562 -1.791) 7.486 2.261 ( 1.816 4.624 11.931) 12.923 2.383 ( -2.815 0.449 0.677) 2.930 2.473 ( 3.652 -4.185 -6.733) 8.728 2.636 ( -2.328 -3.490 12.334) 13.028 2.955 ( 2.709 8.403 -0.728) 8.859 3.035 ( 6.943 -1.282 0.948) 7.123 3.272 ( -4.999 -2.673 3.108) 6.465 3.815 ( 5.219 2.971 4.498) 7.503 3.821 ( -9.669 -0.410 12.091) 15.487 4.147 ( 3.510 4.572 1.380) 5.927 4.198 ( 3.806 1.975 -0.539) 4.321 4.385 ( 6.360 -2.238 4.639) 8.183 4.615 ( 1.027 -2.122 10.132) 10.403 4.858 ( -9.191 2.030 -1.769) 9.577 4.939 ( 3.086 -5.110 0.223) 5.973 5.174 ( -9.271 3.067 2.973) 10.207 5.333 ( 1.749 1.408 3.199) 3.908 5.424 ( 7.328 -3.499 -10.844) 13.548 5.805 ( 2.275 0.255 3.710) 4.359 6.672 ( 1.702 1.775 -10.864) 11.138 6.738 ( 4.695 -1.250 -10.396) 11.476 7.187 ( 0.681 0.357 1.406) 1.602 7.278 ( -5.242 0.970 -6.147) 8.136 9.337 ( 3.502 1.179 -1.150) 3.870 9.436 ( 2.045 -0.681 1.157) 2.446 10.492 ( 0.982 1.552 -0.843) 2.021 10.762 ( -3.581 -2.260 3.524) 5.509 11.369 ( -1.307 -0.510 1.535) 2.080 11.587 ( -3.993 -2.346 6.339) 7.851 12.093 ( -3.226 5.811 -7.999) 10.400 12.235 ( -3.035 -5.394 -6.677) 9.104 13.133 ( 5.425 0.764 1.386) 5.651 13.233 ( 2.978 0.051 2.938) 4.184 24.395 ( -0.692 -0.053 0.086) 0.699 24.450 ( 0.544 -0.059 1.165) 1.287 24.856 ( 1.008 0.737 -1.046) 1.629 25.033 ( -3.098 -1.777 -1.021) 3.714 25.097 ( 1.602 -0.969 -3.078) 3.602 25.495 ( 6.649 0.958 10.690) 12.626 26.160 ( 3.112 9.889 -3.091) 10.818 26.446 ( -3.204 -8.086 -3.572) 9.402 ======================= Grid point 333 (130/171) ======================= q-point: (-0.20 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.960 ( 9.359 -0.000 -7.141) 11.773 2.112 ( 12.348 -0.000 -11.772) 17.061 2.484 ( -2.587 0.000 12.136) 12.408 2.535 ( -9.159 -0.000 0.476) 9.171 2.754 ( -1.859 0.000 10.179) 10.348 2.916 ( 10.463 0.000 6.631) 12.387 2.928 ( 4.376 0.000 1.556) 4.645 3.347 ( -0.900 0.000 2.420) 2.582 3.720 ( 6.862 0.000 2.661) 7.360 4.082 ( -7.969 0.000 8.232) 11.457 4.153 ( 2.567 0.000 -0.121) 2.569 4.183 ( -0.042 0.000 2.502) 2.502 4.238 ( 6.945 0.000 -1.024) 7.020 4.590 ( 7.425 0.000 0.706) 7.458 4.788 ( 6.276 0.000 -1.372) 6.424 5.095 ( 2.759 -0.000 -7.222) 7.731 5.167 ( 2.488 -0.000 -7.717) 8.108 5.245 ( -5.252 -0.000 -0.560) 5.282 5.370 ( -8.320 -0.000 -1.214) 8.408 5.902 ( -1.198 0.000 14.614) 14.663 6.605 ( 2.527 -0.000 -4.848) 5.467 6.625 ( -2.639 -0.000 -4.149) 4.917 7.188 ( 1.633 0.000 3.444) 3.811 7.306 ( -3.554 -0.000 -6.250) 7.190 9.283 ( 2.436 0.000 -0.740) 2.546 9.421 ( 0.754 0.000 1.180) 1.400 10.458 ( 1.917 -0.000 -2.552) 3.191 10.855 ( -4.777 0.000 4.042) 6.258 11.404 ( -1.199 0.000 2.450) 2.728 11.689 ( -3.067 0.000 7.465) 8.071 12.122 ( -4.071 -0.000 -9.177) 10.039 12.196 ( -3.043 -0.000 -7.243) 7.856 13.049 ( 6.300 0.000 0.857) 6.358 13.199 ( 3.477 0.000 2.019) 4.021 24.413 ( -1.136 -0.000 0.248) 1.163 24.443 ( 1.187 0.000 0.692) 1.374 24.825 ( 2.286 0.000 0.896) 2.455 25.058 ( -2.076 -0.000 -4.448) 4.909 25.095 ( -4.238 -0.000 0.366) 4.254 25.462 ( 7.906 0.000 10.072) 12.805 26.122 ( 4.935 -0.000 -3.275) 5.922 26.441 ( -4.792 -0.000 -3.195) 5.759 ======================= Grid point 340 (131/171) ======================= q-point: ( 0.50 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( -0.000 17.872 12.598) 21.866 1.767 ( 0.000 12.695 27.136) 29.959 2.443 ( -0.000 14.575 5.988) 15.758 2.579 ( -0.000 8.579 -0.702) 8.608 2.708 ( 0.000 1.228 8.661) 8.748 2.785 ( 0.000 -6.579 7.938) 10.311 3.128 ( -0.000 11.964 -4.265) 12.702 3.296 ( 0.000 -6.404 6.263) 8.958 3.553 ( 0.000 0.272 6.128) 6.134 3.784 ( -0.000 -4.816 -7.244) 8.699 4.059 ( 0.000 13.858 13.868) 19.605 4.143 ( 0.000 -4.913 -0.939) 5.001 4.263 ( -0.000 1.908 -1.518) 2.438 4.625 ( 0.000 1.370 9.019) 9.123 4.728 ( 0.000 -3.238 -1.952) 3.780 4.802 ( 0.000 -1.809 8.947) 9.128 5.031 ( -0.000 2.360 1.687) 2.900 5.533 ( -0.000 4.943 -1.328) 5.118 5.683 ( -0.000 1.944 -0.578) 2.028 5.846 ( -0.000 -1.931 -10.307) 10.487 6.870 ( -0.000 3.605 -6.792) 7.690 6.963 ( -0.000 1.317 -15.780) 15.835 7.067 ( -0.000 -0.091 -11.834) 11.834 7.274 ( 0.000 -6.339 -3.823) 7.403 9.374 ( 0.000 2.708 3.101) 4.117 9.588 ( 0.000 -1.930 -0.143) 1.935 10.373 ( 0.000 3.866 3.944) 5.523 10.881 ( 0.000 -8.228 -1.038) 8.293 11.302 ( -0.000 -0.167 -1.495) 1.504 11.563 ( 0.000 -7.781 8.548) 11.559 11.873 ( -0.000 5.898 -6.161) 8.529 12.392 ( -0.000 -5.766 -4.876) 7.551 13.225 ( 0.000 2.926 2.714) 3.991 13.260 ( 0.000 1.482 2.102) 2.572 24.400 ( 0.000 0.194 0.662) 0.690 24.442 ( 0.000 -0.377 0.095) 0.388 24.794 ( 0.000 -1.077 1.991) 2.264 25.072 ( 0.000 -4.971 -2.307) 5.480 25.246 ( -0.000 6.123 2.560) 6.637 25.585 ( -0.000 -1.384 -1.427) 1.988 25.993 ( -0.000 7.297 2.492) 7.710 26.566 ( -0.000 -3.320 -5.375) 6.318 ======================= Grid point 341 (132/171) ======================= q-point: ( 0.60 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.900 ( -5.829 14.998 10.959) 19.468 2.081 ( 0.510 11.761 20.172) 23.355 2.502 ( 3.868 1.141 -0.424) 4.055 2.609 ( 1.712 2.841 -1.486) 3.634 2.732 ( -0.524 -7.260 1.223) 7.381 2.835 ( -3.706 -1.448 10.656) 11.375 3.218 ( 3.585 7.468 2.728) 8.722 3.357 ( 11.884 3.606 1.408) 12.499 3.471 ( -7.211 -2.552 15.938) 17.679 3.860 ( -1.362 6.987 -0.606) 7.144 4.084 ( -5.603 -2.386 1.038) 6.178 4.224 ( 2.551 5.775 1.993) 6.621 4.342 ( -1.969 2.156 3.842) 4.826 4.707 ( 2.829 0.499 10.797) 11.172 4.753 ( -7.908 -0.221 0.648) 7.937 4.844 ( 0.325 -2.574 3.526) 4.377 5.078 ( -0.873 3.066 3.308) 4.594 5.486 ( 11.209 -0.560 1.240) 11.291 5.591 ( 2.197 2.148 -1.247) 3.316 5.859 ( -3.826 -1.432 -4.083) 5.776 6.747 ( 5.134 1.683 -14.773) 15.731 6.883 ( 1.093 1.360 -12.787) 12.905 7.024 ( -6.014 1.219 -12.133) 13.596 7.179 ( -0.680 -3.352 -5.035) 6.087 9.402 ( 2.527 2.697 2.374) 4.392 9.550 ( 2.132 -1.806 -0.012) 2.794 10.445 ( 0.076 3.822 4.348) 5.790 10.801 ( -0.465 -6.969 -0.617) 7.012 11.319 ( -2.083 0.356 0.335) 2.139 11.567 ( -2.097 -7.751 7.919) 11.277 11.889 ( -1.449 6.170 -7.775) 10.031 12.291 ( -0.875 -6.633 -6.579) 9.383 13.244 ( 2.879 2.169 2.040) 4.142 13.287 ( 0.713 1.209 2.808) 3.139 24.401 ( 0.658 -0.010 0.297) 0.722 24.446 ( -0.625 -0.108 0.625) 0.890 24.806 ( -0.924 -0.132 0.601) 1.110 25.023 ( -2.798 -5.960 -2.742) 7.132 25.268 ( 6.401 4.207 0.995) 7.724 25.572 ( 0.130 0.848 2.768) 2.898 26.056 ( 2.821 7.980 0.804) 8.502 26.506 ( -2.233 -4.981 -5.020) 7.415 ======================= Grid point 342 (133/171) ======================= q-point: ( 0.70 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.188 ( -2.913 3.317 2.428) 5.038 2.211 ( 3.520 9.030 4.324) 10.613 2.461 ( 1.273 -1.370 11.481) 11.632 2.554 ( 6.277 -1.016 -4.797) 7.965 2.696 ( 0.008 -0.103 0.888) 0.894 2.954 ( -0.399 2.801 8.892) 9.331 3.148 ( 4.511 0.380 0.644) 4.573 3.292 ( 1.848 -2.632 8.268) 8.871 3.794 ( -9.829 0.895 18.798) 21.232 3.872 ( 7.240 10.015 1.834) 12.493 4.195 ( 3.243 2.273 0.672) 4.017 4.215 ( 1.335 3.175 -1.182) 3.641 4.438 ( -9.901 -1.009 4.435) 10.896 4.673 ( 4.886 -1.501 -0.410) 5.128 4.791 ( 1.750 -3.728 5.603) 6.954 4.987 ( -12.623 1.504 3.423) 13.165 5.085 ( 6.130 0.031 -0.792) 6.181 5.378 ( 6.896 2.985 2.015) 7.780 5.526 ( 4.945 -2.336 -0.252) 5.475 5.847 ( 0.332 -0.238 1.087) 1.161 6.590 ( 1.650 1.296 -12.282) 12.460 6.727 ( 3.957 -0.146 -12.683) 13.287 7.073 ( -8.320 2.090 -11.718) 14.522 7.165 ( -2.720 -0.221 -2.772) 3.890 9.380 ( 4.131 1.846 0.187) 4.529 9.495 ( 2.840 -0.995 0.776) 3.107 10.497 ( 1.152 2.226 2.397) 3.468 10.766 ( -2.241 -4.104 1.163) 4.818 11.368 ( -1.584 0.301 2.857) 3.281 11.611 ( -4.037 -5.953 7.629) 10.485 11.918 ( -2.666 6.167 -8.844) 11.106 12.193 ( -2.302 -6.678 -7.775) 10.504 13.215 ( 4.517 1.602 1.466) 5.012 13.295 ( 2.075 0.519 2.643) 3.400 24.392 ( 0.193 -0.135 0.064) 0.244 24.462 ( -0.274 0.059 0.983) 1.022 24.829 ( -1.509 0.502 -0.671) 1.726 25.002 ( -4.083 -5.595 -2.011) 7.212 25.161 ( 8.212 1.481 -1.371) 8.457 25.634 ( 1.790 2.970 8.984) 9.629 26.083 ( 3.237 9.508 -2.203) 10.282 26.447 ( -2.584 -7.562 -4.799) 9.322 ======================= Grid point 343 (134/171) ======================= q-point: ( 0.80 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.033 ( 6.696 -2.196 -7.881) 10.572 2.269 ( 14.897 -0.103 -5.942) 16.038 2.413 ( -4.970 1.492 1.568) 5.421 2.555 ( -0.004 0.573 12.050) 12.064 2.748 ( -2.092 2.618 -0.615) 3.407 3.043 ( 1.650 3.601 7.275) 8.283 3.139 ( 7.035 2.077 13.801) 15.629 3.321 ( -4.722 -6.093 3.799) 8.594 3.852 ( 7.477 4.699 3.183) 9.387 4.047 ( -4.916 -0.377 13.950) 14.795 4.167 ( 3.942 7.757 0.387) 8.709 4.191 ( 3.173 2.316 0.372) 3.946 4.404 ( 7.000 -8.159 -2.215) 10.977 4.714 ( 4.986 2.002 0.033) 5.373 4.861 ( -14.926 0.674 2.465) 15.143 4.955 ( 6.027 -3.747 2.201) 7.431 5.179 ( 7.819 -1.891 -11.586) 14.105 5.205 ( -10.000 0.522 0.119) 10.014 5.350 ( 13.549 -0.857 -6.375) 14.998 5.967 ( -4.136 2.101 14.841) 15.549 6.534 ( -3.006 -0.082 -6.376) 7.050 6.599 ( 1.926 0.490 -6.097) 6.413 7.131 ( -7.702 1.290 -11.708) 14.073 7.197 ( -2.080 0.559 -0.407) 2.192 9.320 ( 3.493 0.518 -0.914) 3.648 9.456 ( 2.311 -0.032 1.203) 2.605 10.482 ( 2.538 0.150 -0.366) 2.569 10.814 ( -4.121 -0.873 2.883) 5.105 11.416 ( -0.634 0.079 4.289) 4.337 11.700 ( -4.373 -2.799 7.745) 9.325 11.954 ( -3.544 5.061 -9.031) 10.942 12.116 ( -3.392 -5.435 -8.195) 10.402 13.153 ( 5.739 0.797 0.964) 5.874 13.272 ( 3.295 0.065 1.925) 3.817 24.397 ( -0.802 -0.023 0.130) 0.812 24.466 ( 0.747 0.018 0.806) 1.099 24.850 ( -0.816 0.123 0.131) 0.835 25.014 ( -1.266 -0.375 -1.336) 1.879 25.051 ( 0.846 -2.198 -2.463) 3.408 25.672 ( 7.058 1.766 11.264) 13.410 26.112 ( 3.112 10.489 -3.142) 11.383 26.373 ( -4.210 -9.128 -5.219) 11.327 ======================= Grid point 344 (135/171) ======================= q-point: (-0.10 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.852 ( 7.381 -0.000 -5.556) 9.238 1.935 ( 16.620 -0.000 -8.733) 18.775 2.532 ( -6.867 -0.000 0.615) 6.894 2.649 ( -1.391 0.000 6.953) 7.091 2.755 ( 0.458 -0.000 -3.928) 3.954 3.075 ( 5.854 0.000 12.386) 13.700 3.154 ( 8.333 0.000 16.413) 18.407 3.354 ( -0.901 -0.000 -1.984) 2.179 3.797 ( 5.477 0.000 8.075) 9.757 4.148 ( 3.043 -0.000 -1.708) 3.489 4.176 ( 5.088 -0.000 -6.127) 7.964 4.203 ( -0.511 0.000 6.521) 6.541 4.220 ( 1.834 0.000 2.751) 3.306 4.561 ( 5.499 -0.000 -5.376) 7.690 4.664 ( 18.186 -0.000 -9.472) 20.505 4.953 ( 17.400 -0.000 -9.051) 19.613 5.150 ( -5.778 0.000 3.302) 6.655 5.230 ( -16.347 -0.000 -0.809) 16.367 5.349 ( -8.545 -0.000 -1.833) 8.739 6.092 ( 4.407 0.000 7.226) 8.463 6.586 ( -6.719 -0.000 -1.080) 6.806 6.621 ( -4.860 0.000 7.466) 8.908 7.159 ( -6.289 -0.000 -11.594) 13.190 7.235 ( -1.467 0.000 2.165) 2.615 9.277 ( 1.471 0.000 -0.083) 1.473 9.437 ( 0.959 0.000 0.769) 1.229 10.428 ( 3.093 -0.000 -1.224) 3.327 10.909 ( -4.909 0.000 2.505) 5.511 11.455 ( -0.146 0.000 3.544) 3.547 11.812 ( -3.124 0.000 8.033) 8.619 11.979 ( -4.141 -0.000 -7.976) 8.987 12.073 ( -3.054 -0.000 -8.072) 8.630 13.061 ( 6.566 0.000 0.550) 6.589 13.223 ( 4.016 0.000 0.978) 4.133 24.416 ( -1.175 -0.000 0.150) 1.184 24.451 ( 1.536 0.000 0.379) 1.582 24.854 ( 2.031 0.000 2.637) 3.328 24.986 ( -2.247 -0.000 -4.556) 5.080 25.097 ( -5.405 -0.000 -0.008) 5.405 25.613 ( 10.188 0.000 8.032) 12.973 26.083 ( 5.477 0.000 -1.576) 5.700 26.377 ( -7.083 -0.000 -4.169) 8.219 ======================= Grid point 345 (136/171) ======================= q-point: ( 0.00 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.805 ( 6.583 0.000 -0.000) 6.583 1.863 ( 18.380 0.000 -0.000) 18.380 2.543 ( -5.495 -0.000 0.000) 5.495 2.701 ( -0.457 -0.000 0.000) 0.457 2.717 ( 1.023 0.000 -0.000) 1.023 3.235 ( -0.284 -0.000 0.000) 0.284 3.290 ( 1.478 0.000 -0.000) 1.478 3.293 ( 10.371 0.000 -0.000) 10.371 3.978 ( 3.919 0.000 -0.000) 3.919 3.992 ( 4.004 0.000 -0.000) 4.004 4.156 ( 3.222 0.000 -0.000) 3.222 4.230 ( -0.402 -0.000 0.000) 0.402 4.300 ( 19.339 0.000 -0.000) 19.339 4.449 ( -7.277 -0.000 0.000) 7.277 4.607 ( 19.381 0.000 -0.000) 19.381 4.871 ( 21.431 0.000 -0.000) 21.431 5.189 ( -5.568 -0.000 0.000) 5.568 5.223 ( -18.883 -0.000 0.000) 18.883 5.326 ( -9.161 -0.000 0.000) 9.161 6.139 ( 8.226 0.000 -0.000) 8.226 6.579 ( -7.804 -0.000 0.000) 7.804 6.740 ( -9.410 -0.000 0.000) 9.410 7.018 ( -6.773 -0.000 0.000) 6.773 7.253 ( -3.191 -0.000 0.000) 3.191 9.277 ( 0.944 0.000 -0.000) 0.944 9.443 ( 1.063 0.000 -0.000) 1.063 10.419 ( 3.520 0.000 -0.000) 3.520 10.929 ( -4.969 -0.000 0.000) 4.969 11.491 ( 0.784 0.000 -0.000) 0.784 11.907 ( -4.484 -0.000 0.000) 4.484 11.930 ( -1.842 -0.000 0.000) 1.842 11.954 ( -4.310 -0.000 0.000) 4.310 13.066 ( 6.618 0.000 -0.000) 6.618 13.231 ( 4.237 0.000 -0.000) 4.237 24.417 ( -1.184 -0.000 0.000) 1.184 24.454 ( 1.662 0.000 -0.000) 1.662 24.893 ( 4.858 0.000 -0.000) 4.858 24.931 ( -5.215 -0.000 0.000) 5.215 25.097 ( -5.762 -0.000 0.000) 5.762 25.683 ( 11.555 0.000 -0.000) 11.555 26.071 ( 5.650 0.000 -0.000) 5.650 26.338 ( -8.534 -0.000 0.000) 8.534 ======================= Grid point 351 (137/171) ======================= q-point: ( 0.60 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.793 ( 0.000 15.634 13.428) 20.609 2.111 ( -0.000 14.183 16.434) 21.708 2.453 ( -0.000 10.908 -4.417) 11.768 2.671 ( -0.000 -2.087 9.993) 10.208 2.701 ( 0.000 -3.041 -2.250) 3.783 2.959 ( -0.000 -2.236 -0.460) 2.283 3.129 ( 0.000 16.469 10.377) 19.465 3.427 ( -0.000 8.939 8.986) 12.675 3.672 ( -0.000 -2.571 8.504) 8.884 3.712 ( 0.000 -8.882 -0.334) 8.888 4.122 ( 0.000 -3.413 -1.326) 3.662 4.228 ( 0.000 0.004 1.313) 1.313 4.299 ( 0.000 7.561 11.708) 13.937 4.694 ( 0.000 -1.497 -1.962) 2.468 4.809 ( -0.000 2.745 12.954) 13.242 4.890 ( -0.000 -0.908 0.921) 1.293 5.065 ( -0.000 3.605 3.686) 5.156 5.557 ( 0.000 3.101 5.019) 5.900 5.672 ( 0.000 2.148 -0.778) 2.285 5.741 ( 0.000 0.450 -3.159) 3.191 6.668 ( -0.000 2.898 -20.680) 20.883 6.727 ( 0.000 1.824 -11.092) 11.240 6.872 ( -0.000 1.716 -11.665) 11.791 7.146 ( 0.000 -4.577 -11.567) 12.440 9.427 ( -0.000 2.044 3.508) 4.060 9.580 ( 0.000 -1.175 -0.857) 1.454 10.459 ( 0.000 2.162 6.708) 7.048 10.852 ( -0.000 -6.568 -2.799) 7.139 11.300 ( 0.000 0.713 1.555) 1.711 11.711 ( 0.000 -8.543 8.345) 11.943 11.760 ( 0.000 3.187 -6.433) 7.179 12.301 ( 0.000 -7.570 -6.558) 10.015 13.264 ( 0.000 3.164 2.077) 3.785 13.287 ( 0.000 2.527 1.257) 2.822 24.412 ( 0.000 0.144 0.788) 0.801 24.442 ( 0.000 -0.276 -0.013) 0.277 24.831 ( -0.000 -3.284 2.565) 4.167 25.030 ( 0.000 -5.647 -3.042) 6.414 25.296 ( -0.000 5.975 3.667) 7.011 25.552 ( 0.000 1.357 -2.805) 3.115 26.048 ( -0.000 4.744 4.475) 6.522 26.469 ( 0.000 -1.770 -6.784) 7.011 ======================= Grid point 352 (138/171) ======================= q-point: ( 0.70 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.075 ( -3.944 13.017 10.797) 17.366 2.289 ( 5.401 5.242 6.573) 9.993 2.471 ( 0.996 6.851 -3.799) 7.897 2.653 ( 2.488 -1.363 5.307) 6.018 2.687 ( -2.460 -4.817 -2.541) 5.976 2.978 ( -3.529 -2.622 3.168) 5.419 3.250 ( 10.329 5.668 1.726) 11.908 3.449 ( 8.892 8.109 9.585) 15.385 3.752 ( -8.362 3.886 16.983) 19.325 3.877 ( -4.264 3.404 3.485) 6.474 4.097 ( -5.218 -1.184 1.115) 5.466 4.232 ( 1.489 1.668 -0.011) 2.236 4.409 ( 1.561 -0.071 4.442) 4.708 4.762 ( -7.922 -0.453 1.002) 7.998 4.800 ( 4.639 -1.985 -3.530) 6.158 4.918 ( -1.915 -1.219 5.688) 6.124 5.154 ( 3.983 5.075 8.946) 11.030 5.529 ( 11.005 1.802 1.181) 11.213 5.610 ( 2.360 1.144 5.100) 5.735 5.824 ( -4.443 -0.187 0.182) 4.451 6.502 ( 2.021 1.805 -15.212) 15.451 6.656 ( 0.905 1.365 -15.428) 15.515 6.833 ( -4.541 2.268 -10.577) 11.732 7.067 ( -4.805 -1.723 -8.478) 9.896 9.438 ( 3.729 1.668 2.035) 4.564 9.547 ( 1.891 -0.775 -0.278) 2.063 10.525 ( 0.803 1.689 5.445) 5.757 10.781 ( -1.109 -4.833 -1.963) 5.333 11.354 ( -1.880 1.710 4.151) 4.867 11.709 ( -1.931 -9.800 9.686) 13.913 11.751 ( -1.619 5.580 -9.463) 11.105 12.172 ( -1.216 -8.143 -8.307) 11.696 13.270 ( 3.295 2.442 1.199) 4.273 13.324 ( 0.260 1.531 1.724) 2.320 24.405 ( 1.035 -0.114 0.250) 1.070 24.455 ( -1.098 0.079 0.472) 1.197 24.819 ( -0.200 -1.919 1.014) 2.180 24.978 ( -3.494 -6.182 -2.685) 7.592 25.284 ( 9.112 3.378 0.946) 9.764 25.612 ( -4.587 4.533 2.053) 6.768 26.080 ( 4.927 5.214 2.251) 7.518 26.421 ( -2.802 -3.967 -5.551) 7.376 ======================= Grid point 353 (139/171) ======================= q-point: ( 0.80 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.138 ( 7.017 -6.386 -3.465) 10.101 2.320 ( -2.227 9.351 6.236) 11.459 2.492 ( 10.114 -0.163 -1.939) 10.300 2.622 ( 0.436 6.237 0.332) 6.261 2.673 ( 1.350 1.104 3.465) 3.879 3.044 ( -4.160 -1.993 2.170) 5.098 3.173 ( -1.871 -0.486 1.429) 2.404 3.490 ( 7.167 2.260 13.575) 15.516 3.912 ( 6.423 10.815 3.262) 12.994 4.076 ( -6.364 2.717 15.527) 16.999 4.197 ( 2.960 3.600 -0.558) 4.694 4.221 ( 2.074 1.421 2.728) 3.710 4.470 ( -12.111 -1.037 0.001) 12.155 4.590 ( 6.001 -5.564 -7.849) 11.339 4.891 ( -1.570 -1.805 3.395) 4.153 4.992 ( -5.888 -3.735 -2.493) 7.405 5.115 ( 4.879 1.690 4.934) 7.142 5.337 ( 14.816 -0.199 -3.498) 15.225 5.535 ( 12.138 0.949 -1.545) 12.273 5.960 ( -6.283 3.530 11.958) 13.962 6.432 ( -3.342 -0.554 -7.171) 7.931 6.545 ( 0.013 1.679 -9.892) 10.033 6.879 ( -8.201 1.686 -11.250) 14.024 7.108 ( -5.781 0.662 -3.762) 6.929 9.380 ( 5.009 0.658 -0.118) 5.053 9.508 ( 2.780 0.110 0.740) 2.879 10.531 ( 2.746 -0.166 1.749) 3.260 10.781 ( -3.382 -1.705 0.678) 3.847 11.439 ( -0.832 1.764 5.851) 6.167 11.732 ( -3.118 -3.738 3.298) 5.880 11.784 ( -3.973 2.131 -3.465) 5.686 12.058 ( -2.940 -7.534 -9.014) 12.110 13.233 ( 4.698 1.731 0.697) 5.055 13.328 ( 2.032 0.569 1.369) 2.515 24.393 ( 0.228 -0.119 0.071) 0.266 24.474 ( -0.363 0.187 0.530) 0.669 24.822 ( -1.554 -0.812 -0.239) 1.770 24.975 ( -4.916 -5.324 -1.263) 7.356 25.144 ( 9.639 1.368 -0.737) 9.764 25.772 ( -1.952 6.409 7.871) 10.337 26.043 ( 5.627 6.769 -2.800) 9.237 26.373 ( -2.627 -7.513 -4.023) 8.918 ======================= Grid point 354 (140/171) ======================= q-point: (-0.10 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.941 ( 6.291 -4.356 -3.143) 8.272 2.190 ( 18.601 -1.487 -2.908) 18.885 2.453 ( -3.299 2.877 2.099) 4.855 2.687 ( 0.562 0.085 4.132) 4.171 2.711 ( -0.493 5.299 -2.121) 5.729 3.131 ( -3.999 1.898 3.798) 5.833 3.261 ( -4.630 0.488 0.882) 4.738 3.450 ( 7.828 -3.681 8.286) 11.979 3.941 ( 6.626 8.102 7.906) 13.117 4.127 ( 6.846 6.097 -4.867) 10.380 4.191 ( 4.394 3.285 2.021) 5.847 4.270 ( -2.580 -2.415 6.193) 7.131 4.353 ( 3.111 -8.732 0.580) 9.288 4.623 ( 9.273 3.637 -9.140) 13.519 4.896 ( -15.595 -3.191 1.366) 15.977 4.977 ( 18.212 -2.801 -0.734) 18.441 5.081 ( -4.441 -0.108 -0.015) 4.442 5.197 ( -6.679 -0.319 -0.967) 6.756 5.242 ( 17.384 -1.040 -4.912) 18.094 6.171 ( -0.467 3.765 7.927) 8.788 6.468 ( -6.247 -0.732 -1.989) 6.597 6.571 ( -6.192 0.874 2.114) 6.601 6.939 ( -8.230 0.469 -9.922) 12.899 7.186 ( -4.312 1.140 -0.591) 4.499 9.310 ( 3.258 0.207 -0.336) 3.282 9.470 ( 2.543 0.266 0.507) 2.607 10.480 ( 3.421 -0.531 -0.054) 3.462 10.847 ( -4.434 -0.194 1.137) 4.582 11.489 ( 0.931 0.720 3.774) 3.953 11.802 ( -4.402 2.918 -0.022) 5.281 11.855 ( -4.314 -1.606 2.751) 5.363 11.981 ( -3.957 -5.473 -8.456) 10.822 13.163 ( 5.827 0.826 0.317) 5.894 13.293 ( 3.493 0.069 0.654) 3.555 24.399 ( -0.846 -0.002 0.056) 0.848 24.475 ( 0.867 0.094 0.283) 0.917 24.855 ( -3.230 -0.221 0.373) 3.259 24.993 ( 4.457 0.767 -0.987) 4.629 25.026 ( -2.844 -3.301 -0.699) 4.412 25.830 ( 9.505 2.003 7.369) 12.192 26.056 ( 0.380 12.528 -3.461) 13.003 26.302 ( -4.395 -11.175 -2.853) 12.342 ======================= Grid point 362 (141/171) ======================= q-point: ( 0.70 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.999 ( -0.000 14.094 12.384) 18.762 2.291 ( -0.000 12.083 1.460) 12.171 2.391 ( 0.000 10.311 2.753) 10.672 2.652 ( 0.000 -7.416 -4.802) 8.835 2.788 ( -0.000 -5.375 4.259) 6.857 2.881 ( -0.000 11.558 -5.280) 12.707 3.314 ( -0.000 8.701 9.866) 13.155 3.489 ( -0.000 11.582 -1.288) 11.653 3.801 ( -0.000 -2.185 7.013) 7.345 3.812 ( 0.000 -5.385 9.278) 10.727 4.125 ( -0.000 -2.408 2.773) 3.673 4.228 ( -0.000 -1.424 -0.432) 1.488 4.499 ( 0.000 1.708 12.394) 12.511 4.684 ( 0.000 -0.270 1.557) 1.580 4.837 ( -0.000 -1.535 -6.569) 6.746 4.899 ( -0.000 -1.044 -3.387) 3.544 5.253 ( 0.000 8.053 20.418) 21.948 5.635 ( 0.000 4.097 2.286) 4.691 5.660 ( 0.000 2.666 -0.767) 2.774 5.741 ( 0.000 0.945 1.221) 1.544 6.357 ( 0.000 2.695 -15.216) 15.452 6.526 ( 0.000 0.050 -13.931) 13.931 6.737 ( 0.000 2.762 -4.022) 4.879 6.940 ( 0.000 -1.433 -13.293) 13.370 9.481 ( -0.000 1.302 3.156) 3.414 9.560 ( -0.000 -0.341 -1.726) 1.759 10.575 ( 0.000 0.048 7.707) 7.707 10.790 ( 0.000 -4.449 -5.052) 6.732 11.356 ( -0.000 1.947 5.512) 5.846 11.611 ( 0.000 4.517 -9.282) 10.323 11.884 ( 0.000 -11.893 10.469) 15.844 12.184 ( -0.000 -9.644 -8.117) 12.606 13.289 ( 0.000 3.413 1.101) 3.586 13.300 ( -0.000 3.259 0.380) 3.281 24.424 ( 0.000 0.064 0.728) 0.730 24.440 ( 0.000 -0.161 -0.242) 0.290 24.875 ( 0.000 -4.954 3.000) 5.792 24.978 ( 0.000 -6.039 -3.362) 6.912 25.360 ( 0.000 5.664 4.357) 7.146 25.498 ( 0.000 3.585 -3.929) 5.319 26.133 ( 0.000 2.539 6.165) 6.667 26.356 ( 0.000 -0.422 -7.366) 7.378 ======================= Grid point 363 (142/171) ======================= q-point: ( 0.80 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.231 ( -1.122 11.145 8.148) 13.851 2.337 ( 8.976 -5.996 0.045) 10.794 2.400 ( -2.142 13.513 -4.112) 14.286 2.633 ( -3.599 -3.501 -1.762) 5.321 2.752 ( 4.917 1.927 3.718) 6.459 2.976 ( -6.618 -0.294 -1.346) 6.760 3.269 ( 12.123 -0.258 0.585) 12.139 3.574 ( 4.238 15.953 4.268) 17.049 3.889 ( -0.062 8.720 2.551) 9.086 4.001 ( -14.525 -2.349 6.044) 15.906 4.146 ( -1.381 0.465 6.053) 6.226 4.224 ( -0.426 0.062 -1.868) 1.917 4.500 ( 6.882 -0.955 7.386) 10.140 4.678 ( 5.445 -4.830 -9.264) 11.781 4.808 ( -8.915 -1.760 4.353) 10.076 4.899 ( -5.789 -2.145 -5.603) 8.337 5.351 ( 14.108 2.875 10.358) 17.737 5.534 ( 11.142 2.536 0.756) 11.452 5.673 ( 5.836 3.177 1.436) 6.798 5.863 ( -8.741 4.784 2.365) 10.241 6.324 ( -3.535 0.428 -3.893) 5.276 6.419 ( -1.283 0.241 -13.083) 13.148 6.726 ( -0.928 1.304 -2.693) 3.133 6.945 ( -8.369 0.858 -5.317) 9.952 9.462 ( 4.930 0.505 0.841) 5.027 9.543 ( 1.139 0.364 -0.215) 1.215 10.603 ( 2.632 -1.034 3.619) 4.593 10.743 ( -2.827 -2.071 -2.208) 4.142 11.447 ( -1.093 3.151 7.174) 7.911 11.599 ( -2.232 4.555 -9.059) 10.383 11.867 ( -1.494 -10.215 9.873) 14.285 12.031 ( -1.761 -9.646 -9.273) 13.496 13.282 ( 3.485 2.614 0.361) 4.372 13.342 ( 0.002 1.747 0.555) 1.833 24.408 ( 1.250 -0.162 0.097) 1.264 24.460 ( -1.337 0.179 0.173) 1.360 24.835 ( 0.844 -3.100 0.716) 3.291 24.944 ( -4.575 -6.168 -1.341) 7.796 25.296 ( 10.942 2.802 0.397) 11.302 25.634 ( -7.854 7.297 0.698) 10.744 26.119 ( 7.514 2.887 1.988) 8.291 26.345 ( -4.208 -3.218 -3.184) 6.181 ======================= Grid point 364 (143/171) ======================= q-point: ( 0.90 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.109 ( 7.910 -8.232 -0.000) 11.416 2.372 ( -0.925 7.709 0.000) 7.764 2.492 ( 13.865 -3.473 -0.000) 14.294 2.576 ( -2.984 13.177 0.000) 13.511 2.730 ( 2.449 0.705 -0.000) 2.548 3.058 ( -6.384 -3.071 0.000) 7.084 3.184 ( -3.413 -1.713 0.000) 3.819 3.609 ( 7.993 6.512 -0.000) 10.310 3.950 ( 5.078 11.913 -0.000) 12.950 4.177 ( 4.897 4.379 -0.000) 6.569 4.250 ( -1.977 3.197 0.000) 3.759 4.255 ( -4.287 0.035 0.000) 4.287 4.468 ( -6.263 1.630 0.000) 6.471 4.486 ( 3.042 -9.786 -0.000) 10.248 4.895 ( -3.633 -8.479 0.000) 9.225 4.976 ( -5.900 1.556 0.000) 6.102 5.167 ( 8.169 0.074 -0.000) 8.169 5.309 ( 17.394 -0.543 -0.000) 17.403 5.512 ( 15.634 1.001 -0.000) 15.666 6.096 ( -6.779 7.393 0.000) 10.030 6.381 ( -4.600 -1.601 0.000) 4.871 6.437 ( -7.012 1.734 0.000) 7.223 6.778 ( -5.987 0.131 0.000) 5.988 7.073 ( -7.175 1.561 0.000) 7.343 9.378 ( 5.285 0.203 -0.000) 5.289 9.514 ( 2.765 0.518 -0.000) 2.813 10.546 ( 3.500 -1.273 -0.000) 3.724 10.786 ( -3.968 -0.582 0.000) 4.010 11.513 ( 1.120 2.556 -0.000) 2.790 11.663 ( -4.872 4.708 0.000) 6.776 11.877 ( -3.068 -6.272 0.000) 6.983 11.934 ( -4.037 -8.786 0.000) 9.669 13.238 ( 4.746 1.777 -0.000) 5.068 13.338 ( 2.006 0.599 -0.000) 2.094 24.394 ( 0.242 -0.108 -0.000) 0.264 24.478 ( -0.385 0.242 0.000) 0.455 24.820 ( -1.578 -1.357 0.000) 2.081 24.965 ( -5.282 -5.184 0.000) 7.401 25.138 ( 10.211 1.335 -0.000) 10.298 25.849 ( -6.414 10.634 0.000) 12.418 26.010 ( 9.556 2.693 -0.000) 9.928 26.338 ( -2.609 -7.392 -0.000) 7.838 ======================= Grid point 374 (144/171) ======================= q-point: (-0.20 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.180 ( -0.000 13.004 -10.175) 16.512 2.180 ( -0.000 13.004 10.175) 16.512 2.533 ( -0.000 1.334 -9.494) 9.587 2.533 ( 0.000 1.334 9.494) 9.587 2.828 ( 0.000 3.030 -1.364) 3.323 2.828 ( 0.000 3.030 1.364) 3.323 3.432 ( -0.000 8.270 -5.084) 9.708 3.432 ( 0.000 8.270 5.084) 9.708 3.873 ( 0.000 -1.324 -0.856) 1.576 3.873 ( 0.000 -1.324 0.856) 1.576 4.198 ( -0.000 -1.740 -4.017) 4.378 4.198 ( 0.000 -1.740 4.017) 4.378 4.679 ( -0.000 0.458 -8.819) 8.831 4.679 ( 0.000 0.458 8.819) 8.831 4.788 ( -0.000 -2.933 -6.962) 7.555 4.788 ( 0.000 -2.933 6.962) 7.555 5.598 ( -0.000 6.933 -19.096) 20.316 5.598 ( 0.000 6.933 19.096) 20.316 5.650 ( 0.000 3.345 -0.082) 3.346 5.650 ( 0.000 3.345 0.082) 3.346 6.320 ( -0.000 -0.620 -9.508) 9.528 6.320 ( 0.000 -0.620 9.508) 9.528 6.766 ( -0.000 1.543 -6.999) 7.167 6.766 ( 0.000 1.543 6.999) 7.167 9.526 ( -0.000 0.500 -2.404) 2.455 9.526 ( 0.000 0.500 2.404) 2.455 10.694 ( -0.000 -2.181 -6.867) 7.205 10.694 ( 0.000 -2.181 6.867) 7.205 11.468 ( -0.000 3.301 -8.381) 9.008 11.468 ( 0.000 3.301 8.381) 9.008 12.044 ( -0.000 -11.326 -9.558) 14.820 12.044 ( 0.000 -11.326 9.558) 14.820 13.300 ( -0.000 3.514 -0.124) 3.516 13.300 ( -0.000 3.514 0.124) 3.516 24.434 ( 0.000 -0.042 -0.358) 0.361 24.434 ( 0.000 -0.042 0.358) 0.361 24.925 ( 0.000 -5.864 -3.053) 6.612 24.925 ( 0.000 -5.864 3.053) 6.612 25.431 ( -0.000 4.960 -3.690) 6.182 25.431 ( 0.000 4.960 3.690) 6.182 26.239 ( -0.000 0.904 -6.717) 6.778 26.239 ( 0.000 0.904 6.717) 6.778 ======================= Grid point 392 (145/171) ======================= q-point: ( 0.40 0.70 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.981 ( -2.988 0.000 -8.067) 8.603 2.002 ( -3.865 -0.000 -7.687) 8.604 2.266 ( 9.121 0.000 2.011) 9.341 2.423 ( 6.779 0.000 -3.528) 7.642 2.894 ( -7.224 0.000 10.799) 12.992 3.083 ( 5.060 0.000 14.151) 15.028 3.205 ( 1.058 0.000 -2.754) 2.950 3.219 ( -10.550 -0.000 14.715) 18.106 3.608 ( 6.738 -0.000 -8.049) 10.496 3.737 ( -16.522 0.000 -14.689) 22.108 4.110 ( 0.432 0.000 -1.599) 1.656 4.141 ( 4.190 -0.000 -3.419) 5.408 4.188 ( 2.071 0.000 1.026) 2.312 4.355 ( -1.344 0.000 -9.770) 9.862 4.780 ( 4.784 -0.000 2.861) 5.574 4.999 ( -4.124 0.000 -11.194) 11.930 5.234 ( -7.089 -0.000 1.880) 7.334 5.286 ( -6.873 0.000 -1.149) 6.969 5.600 ( 5.722 -0.000 7.616) 9.526 5.683 ( 8.220 0.000 -0.174) 8.222 6.829 ( 10.296 0.000 6.633) 12.248 6.850 ( 5.776 -0.000 5.958) 8.298 7.126 ( 0.907 0.000 1.213) 1.514 7.289 ( 2.916 -0.000 -6.030) 6.698 9.328 ( 2.729 -0.000 1.797) 3.268 9.380 ( 1.195 0.000 -1.397) 1.839 10.569 ( -1.503 -0.000 4.119) 4.385 10.710 ( -4.051 0.000 -4.741) 6.236 11.395 ( -1.149 0.000 1.701) 2.052 11.495 ( -1.707 -0.000 -4.556) 4.866 12.340 ( -4.001 0.000 3.885) 5.577 12.360 ( -3.443 -0.000 2.558) 4.289 13.039 ( 4.517 0.000 0.825) 4.592 13.110 ( 2.848 -0.000 -3.160) 4.254 24.407 ( -0.779 -0.000 -0.002) 0.779 24.418 ( 0.137 0.000 -0.688) 0.702 24.865 ( 3.494 -0.000 3.454) 4.913 25.020 ( 2.217 -0.000 -5.074) 5.537 25.168 ( -1.881 0.000 2.289) 2.962 25.232 ( 0.521 -0.000 -3.192) 3.234 26.274 ( 2.677 -0.000 5.875) 6.456 26.438 ( -0.725 0.000 -3.392) 3.469 ======================= Grid point 403 (146/171) ======================= q-point: ( 0.40 -0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( -3.746 10.627 -6.876) 13.200 1.964 ( -1.882 -7.253 -4.893) 8.949 2.385 ( 3.618 7.657 -0.249) 8.472 2.578 ( 7.940 -9.282 0.389) 12.221 2.819 ( -10.654 0.948 12.542) 16.483 2.991 ( -9.580 3.875 -5.944) 11.922 3.152 ( -3.585 3.311 6.260) 7.937 3.318 ( -10.067 1.205 -6.764) 12.188 3.405 ( 1.465 1.249 6.469) 6.749 3.667 ( 6.318 -4.644 -9.220) 12.103 4.118 ( 0.526 3.168 -1.105) 3.396 4.161 ( 3.471 1.456 -3.251) 4.974 4.227 ( 5.210 1.711 1.030) 5.580 4.320 ( 0.650 -3.020 -5.191) 6.041 4.913 ( 7.371 -0.006 0.652) 7.400 4.928 ( 1.574 -0.731 -0.801) 1.912 5.066 ( -10.443 2.387 -0.719) 10.736 5.155 ( -9.272 -4.635 -2.137) 10.584 5.727 ( 3.934 3.367 4.110) 6.611 5.819 ( 7.050 -2.608 0.306) 7.523 6.991 ( 6.191 0.353 4.683) 7.771 7.027 ( 7.836 -0.280 4.031) 8.816 7.155 ( -0.140 -0.601 4.083) 4.130 7.260 ( 0.042 0.309 -6.407) 6.414 9.363 ( 2.153 2.868 0.270) 3.596 9.418 ( 2.475 -2.396 -0.079) 3.446 10.521 ( -2.228 6.324 0.545) 6.727 10.672 ( -2.063 -7.070 -1.326) 7.483 11.388 ( -1.062 0.399 1.538) 1.911 11.448 ( -2.306 -2.550 -2.302) 4.138 12.256 ( -3.220 6.101 1.831) 7.138 12.368 ( -2.534 -4.980 1.428) 5.768 13.107 ( 4.018 1.183 0.184) 4.192 13.140 ( 2.752 -0.423 -1.952) 3.400 24.401 ( -0.267 -0.075 0.536) 0.603 24.413 ( 0.051 -0.102 -0.964) 0.970 24.918 ( 0.648 3.985 1.697) 4.379 25.038 ( 0.313 -5.712 -0.641) 5.756 25.184 ( 2.097 0.219 2.602) 3.349 25.241 ( 4.515 0.141 -4.632) 6.470 26.248 ( 1.163 12.493 1.447) 12.631 26.488 ( -0.569 -10.351 -0.047) 10.367 ======================= Grid point 404 (147/171) ======================= q-point: ( 0.50 -0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.922 ( -5.681 -7.884 0.000) 9.717 1.922 ( -5.681 7.884 0.000) 9.717 2.341 ( 9.460 -3.124 0.000) 9.963 2.341 ( 9.460 3.124 -0.000) 9.963 3.050 ( -3.995 -2.698 0.000) 4.821 3.050 ( -3.995 2.698 -0.000) 4.821 3.408 ( 6.508 -0.129 0.000) 6.509 3.408 ( 6.508 0.129 -0.000) 6.509 3.478 ( -16.221 -3.844 0.000) 16.670 3.478 ( -16.221 3.844 -0.000) 16.670 4.101 ( 2.099 -2.351 -0.000) 3.152 4.101 ( 2.099 2.351 -0.000) 3.152 4.237 ( 0.551 -5.025 0.000) 5.055 4.237 ( 0.551 5.025 -0.000) 5.055 4.854 ( 1.510 -0.302 0.000) 1.540 4.854 ( 1.510 0.302 -0.000) 1.540 5.263 ( -8.440 -2.976 0.000) 8.950 5.263 ( -8.440 2.976 0.000) 8.950 5.673 ( 7.856 -0.521 -0.000) 7.873 5.673 ( 7.856 0.521 -0.000) 7.873 6.894 ( 8.873 -0.952 -0.000) 8.924 6.894 ( 8.873 0.952 -0.000) 8.924 7.185 ( 2.298 -0.058 0.000) 2.299 7.185 ( 2.298 0.058 -0.000) 2.299 9.356 ( 2.002 -1.609 0.000) 2.568 9.356 ( 2.002 1.609 -0.000) 2.568 10.637 ( -3.028 -4.665 0.000) 5.562 10.637 ( -3.028 4.665 -0.000) 5.562 11.434 ( -1.138 -1.544 0.000) 1.918 11.434 ( -1.138 1.544 -0.000) 1.918 12.376 ( -3.718 -5.024 0.000) 6.251 12.376 ( -3.718 5.024 0.000) 6.251 13.065 ( 3.416 -1.201 0.000) 3.621 13.065 ( 3.416 1.201 -0.000) 3.621 24.410 ( -0.379 -0.015 0.000) 0.379 24.410 ( -0.379 0.015 -0.000) 0.379 24.935 ( 3.648 -1.829 0.000) 4.081 24.935 ( 3.648 1.829 -0.000) 4.081 25.198 ( -1.389 -0.053 0.000) 1.390 25.198 ( -1.389 0.053 -0.000) 1.390 26.366 ( 1.083 -11.070 0.000) 11.123 26.366 ( 1.083 11.070 -0.000) 11.123 ======================= Grid point 414 (148/171) ======================= q-point: ( 0.40 -0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( -5.289 13.999 0.000) 14.965 1.938 ( -4.693 4.848 0.000) 6.748 2.266 ( -7.374 0.750 0.000) 7.412 2.713 ( -4.338 -6.200 0.000) 7.567 2.742 ( -5.647 6.805 0.000) 8.843 2.877 ( 7.936 -4.478 -0.000) 9.112 3.091 ( -2.600 5.515 0.000) 6.098 3.109 ( -8.114 -2.752 0.000) 8.568 3.461 ( 5.304 6.974 -0.000) 8.762 3.802 ( 6.223 -5.309 -0.000) 8.180 4.002 ( -1.724 10.071 0.000) 10.218 4.206 ( 1.595 1.599 -0.000) 2.258 4.316 ( 1.123 1.211 -0.000) 1.651 4.358 ( 6.396 -4.254 -0.000) 7.681 4.834 ( -7.704 4.543 0.000) 8.944 4.894 ( -12.892 -2.951 0.000) 13.225 5.003 ( 2.275 -0.580 -0.000) 2.348 5.226 ( 14.107 -3.835 -0.000) 14.619 5.717 ( -0.512 5.616 0.000) 5.640 5.961 ( 3.842 -6.275 -0.000) 7.358 7.095 ( 4.472 0.755 -0.000) 4.535 7.155 ( 5.034 -1.588 -0.000) 5.279 7.165 ( -3.705 0.985 0.000) 3.834 7.222 ( 0.933 -0.979 -0.000) 1.352 9.361 ( 1.495 3.436 -0.000) 3.747 9.484 ( 2.351 -2.692 -0.000) 3.574 10.430 ( -0.898 6.307 0.000) 6.371 10.723 ( -0.845 -8.354 -0.000) 8.396 11.382 ( -0.522 -0.709 0.000) 0.881 11.419 ( -3.599 -2.579 0.000) 4.428 12.152 ( -2.590 6.626 0.000) 7.114 12.393 ( -1.192 -5.131 -0.000) 5.267 13.156 ( 3.474 1.289 -0.000) 3.705 13.170 ( 1.945 0.609 -0.000) 2.038 24.400 ( -0.245 0.207 0.000) 0.321 24.415 ( 0.509 -0.426 -0.000) 0.664 24.864 ( -2.014 3.820 0.000) 4.318 25.077 ( -2.945 -6.320 0.000) 6.972 25.239 ( 3.831 3.350 -0.000) 5.089 25.339 ( 8.743 -1.983 -0.000) 8.965 26.148 ( 1.036 11.825 0.000) 11.870 26.567 ( -1.480 -8.559 -0.000) 8.686 ======================= Grid point 424 (149/171) ======================= q-point: ( 0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.432 ( -0.000 17.727 0.000) 17.727 1.771 ( -0.000 21.366 0.000) 21.366 2.099 ( 0.000 -13.358 -0.000) 13.358 2.621 ( 0.000 -13.492 -0.000) 13.492 2.730 ( -0.000 12.105 0.000) 12.105 2.989 ( -0.000 0.347 0.000) 0.347 3.026 ( -0.000 6.522 0.000) 6.522 3.035 ( 0.000 -8.777 -0.000) 8.777 3.606 ( -0.000 8.001 0.000) 8.001 3.945 ( 0.000 -7.576 -0.000) 7.576 4.031 ( -0.000 5.636 0.000) 5.636 4.147 ( -0.000 12.676 0.000) 12.676 4.373 ( -0.000 1.046 0.000) 1.046 4.490 ( -0.000 1.783 0.000) 1.783 4.512 ( 0.000 -4.137 -0.000) 4.137 4.667 ( 0.000 -5.726 -0.000) 5.726 5.117 ( -0.000 11.961 0.000) 11.961 5.672 ( -0.000 3.765 0.000) 3.765 5.721 ( -0.000 0.858 0.000) 0.858 5.856 ( 0.000 -18.970 -0.000) 18.970 7.071 ( -0.000 4.801 0.000) 4.801 7.156 ( 0.000 -0.094 -0.000) 0.094 7.240 ( 0.000 -1.732 -0.000) 1.732 7.247 ( 0.000 -1.555 -0.000) 1.555 9.387 ( -0.000 3.448 0.000) 3.448 9.525 ( 0.000 -3.383 -0.000) 3.383 10.431 ( -0.000 5.830 0.000) 5.830 10.712 ( 0.000 -8.500 -0.000) 8.500 11.340 ( 0.000 -0.144 -0.000) 0.144 11.371 ( 0.000 -1.693 -0.000) 1.693 12.108 ( -0.000 7.063 0.000) 7.063 12.374 ( 0.000 -5.910 -0.000) 5.910 13.206 ( -0.000 1.269 0.000) 1.269 13.216 ( -0.000 0.328 0.000) 0.328 24.397 ( -0.000 0.600 0.000) 0.600 24.427 ( 0.000 -0.740 -0.000) 0.740 24.817 ( -0.000 3.857 0.000) 3.857 25.015 ( 0.000 -5.418 -0.000) 5.418 25.324 ( -0.000 5.715 0.000) 5.715 25.518 ( 0.000 -4.310 -0.000) 4.310 26.163 ( -0.000 10.391 0.000) 10.391 26.529 ( 0.000 -7.659 -0.000) 7.659 ======================= Grid point 425 (150/171) ======================= q-point: ( 0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( -2.717 15.668 9.726) 18.640 1.930 ( -0.458 -4.505 5.761) 7.328 2.153 ( -10.157 10.063 4.373) 14.952 2.496 ( -5.761 -17.085 0.135) 18.031 2.781 ( 3.114 4.658 -5.239) 7.671 2.910 ( 1.575 -3.949 -2.301) 4.834 3.054 ( -1.733 3.831 3.229) 5.301 3.108 ( -1.460 0.266 5.651) 5.842 3.609 ( 7.174 7.005 -6.767) 12.097 3.862 ( 1.899 -5.959 7.442) 9.720 4.088 ( 0.565 9.313 -1.189) 9.405 4.223 ( 1.096 -0.456 0.956) 1.524 4.356 ( 2.537 0.442 -0.542) 2.632 4.424 ( 3.908 -2.226 4.670) 6.483 4.666 ( -12.034 0.205 1.663) 12.150 4.693 ( -8.814 -2.226 0.875) 9.133 5.181 ( 8.464 12.975 -0.432) 15.498 5.432 ( 16.361 -9.484 -0.745) 18.926 5.730 ( -2.954 4.073 -2.189) 5.487 5.860 ( -5.999 -7.521 -0.229) 9.623 7.115 ( -1.094 2.311 -4.412) 5.099 7.135 ( 1.833 -0.108 -3.082) 3.587 7.199 ( 2.243 -0.760 -0.853) 2.518 7.223 ( -0.533 -1.219 -0.173) 1.342 9.417 ( 0.878 3.453 0.520) 3.601 9.484 ( 1.137 -3.313 0.354) 3.521 10.491 ( 0.105 6.613 0.355) 6.624 10.635 ( -0.319 -7.813 0.511) 7.837 11.350 ( -1.159 -0.383 -1.350) 1.820 11.370 ( -1.649 -0.924 1.100) 2.187 12.181 ( -1.241 6.927 -1.803) 7.264 12.313 ( -0.828 -6.329 -1.734) 6.615 13.206 ( 1.699 0.464 0.790) 1.931 13.213 ( 1.338 0.366 1.569) 2.094 24.402 ( 0.222 0.486 -0.158) 0.557 24.418 ( 0.169 -0.568 0.471) 0.757 24.871 ( -1.651 4.570 -0.575) 4.893 24.974 ( -1.909 -5.602 -0.750) 5.966 25.344 ( 4.297 4.127 -0.584) 5.986 25.438 ( 4.562 -3.275 2.099) 5.995 26.262 ( -0.026 10.407 -0.531) 10.421 26.455 ( -1.009 -8.940 -0.777) 9.031 ======================= Grid point 426 (151/171) ======================= q-point: ( 0.60 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.915 ( -1.089 0.000 13.096) 13.141 1.939 ( -0.305 0.000 12.996) 13.000 2.416 ( -9.787 -0.000 -2.132) 10.017 2.536 ( -5.257 0.000 3.812) 6.494 2.637 ( 5.230 -0.000 -11.675) 12.793 2.943 ( -5.683 0.000 5.084) 7.626 3.090 ( 0.253 -0.000 -1.033) 1.064 3.230 ( -6.967 0.000 6.587) 9.588 3.438 ( 7.135 -0.000 -7.670) 10.476 3.853 ( 7.353 0.000 10.650) 12.942 4.173 ( 2.375 0.000 1.048) 2.597 4.184 ( -3.949 0.000 2.135) 4.489 4.302 ( 3.434 0.000 1.631) 3.802 4.403 ( 3.757 0.000 7.607) 8.485 4.819 ( -7.534 -0.000 -3.659) 8.376 4.916 ( -14.019 -0.000 2.891) 14.314 5.110 ( 13.685 0.000 0.480) 13.693 5.131 ( 5.969 0.000 4.205) 7.302 5.740 ( 0.964 -0.000 -7.588) 7.649 5.868 ( 0.830 0.000 0.569) 1.007 7.033 ( 4.988 -0.000 -6.999) 8.595 7.039 ( 2.495 -0.000 -11.886) 12.145 7.168 ( 1.879 0.000 2.035) 2.770 7.267 ( -3.365 0.000 1.318) 3.614 9.424 ( 2.551 0.000 -0.284) 2.567 9.433 ( 1.636 0.000 0.783) 1.814 10.539 ( 0.002 -0.000 -1.251) 1.251 10.609 ( -1.978 0.000 3.116) 3.691 11.353 ( -1.231 -0.000 -1.688) 2.090 11.417 ( -2.833 0.000 2.360) 3.687 12.242 ( -1.907 -0.000 -4.094) 4.516 12.264 ( -2.303 -0.000 -2.687) 3.539 13.175 ( 3.355 0.000 1.146) 3.545 13.201 ( 2.316 0.000 2.728) 3.578 24.395 ( 0.209 -0.000 -0.466) 0.511 24.423 ( 0.047 0.000 1.204) 1.204 24.923 ( -1.060 -0.000 -2.604) 2.812 24.970 ( -3.274 -0.000 -0.024) 3.274 25.242 ( 6.735 -0.000 -2.782) 7.287 25.383 ( 5.534 0.000 6.678) 8.673 26.335 ( 1.000 -0.000 -2.746) 2.922 26.390 ( -1.800 -0.000 -0.117) 1.804 ======================= Grid point 436 (152/171) ======================= q-point: ( 0.50 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( 0.000 15.420 21.035) 26.082 1.816 ( -0.000 20.113 5.481) 20.846 2.232 ( 0.000 -12.605 15.704) 20.137 2.588 ( 0.000 -8.976 -3.572) 9.661 2.719 ( -0.000 7.230 -1.081) 7.311 2.883 ( -0.000 -1.182 -9.096) 9.173 3.057 ( 0.000 0.518 7.895) 7.912 3.170 ( 0.000 -0.377 8.314) 8.322 3.599 ( -0.000 7.315 -0.811) 7.360 3.869 ( -0.000 -2.466 -6.531) 6.981 4.075 ( 0.000 2.082 2.844) 3.525 4.196 ( -0.000 11.366 5.642) 12.690 4.354 ( -0.000 2.288 -1.770) 2.892 4.535 ( 0.000 1.769 5.490) 5.768 4.568 ( 0.000 -5.287 6.019) 8.011 4.677 ( 0.000 -4.408 1.728) 4.734 5.116 ( -0.000 10.771 -0.082) 10.771 5.645 ( -0.000 1.202 -3.617) 3.811 5.720 ( -0.000 0.989 -0.144) 0.999 5.813 ( 0.000 -13.762 -4.255) 14.405 7.039 ( -0.000 4.299 -4.157) 5.980 7.130 ( -0.000 -0.909 -4.805) 4.890 7.195 ( -0.000 -1.025 -5.615) 5.708 7.219 ( -0.000 -2.060 -2.532) 3.264 9.399 ( -0.000 3.346 1.447) 3.646 9.531 ( 0.000 -3.174 0.653) 3.240 10.437 ( -0.000 5.859 0.968) 5.938 10.716 ( 0.000 -8.308 0.463) 8.321 11.328 ( -0.000 0.185 -1.357) 1.370 11.384 ( 0.000 -2.792 1.844) 3.346 12.080 ( -0.000 6.988 -3.486) 7.809 12.347 ( 0.000 -6.053 -3.384) 6.935 13.224 ( 0.000 1.272 2.141) 2.490 13.235 ( 0.000 0.338 2.209) 2.235 24.400 ( -0.000 0.577 0.338) 0.669 24.429 ( 0.000 -0.700 0.168) 0.720 24.813 ( -0.000 3.375 -0.413) 3.400 25.002 ( 0.000 -5.440 -1.573) 5.663 25.334 ( -0.000 5.751 1.296) 5.895 25.525 ( 0.000 -4.006 0.871) 4.099 26.159 ( -0.000 10.009 -0.349) 10.016 26.514 ( 0.000 -7.315 -1.944) 7.569 ======================= Grid point 437 (153/171) ======================= q-point: ( 0.60 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.938 ( -0.589 12.768 21.430) 24.952 2.060 ( -1.933 8.491 8.816) 12.392 2.297 ( -4.052 -6.747 12.556) 14.819 2.497 ( -5.019 -8.309 0.226) 9.710 2.678 ( 5.216 -0.858 -5.943) 7.954 2.871 ( -5.118 0.904 -1.825) 5.508 3.131 ( 2.211 1.324 6.137) 6.657 3.233 ( -1.011 -1.643 8.931) 9.137 3.503 ( 9.992 4.554 -4.644) 11.922 3.981 ( -10.356 -2.405 5.323) 11.890 4.068 ( 4.368 9.522 -0.347) 10.482 4.246 ( 2.981 -2.229 1.735) 4.107 4.356 ( 2.568 1.178 0.434) 2.859 4.545 ( 4.132 -0.009 10.185) 10.991 4.708 ( -13.042 -1.251 2.305) 13.304 4.729 ( -4.315 -0.936 4.549) 6.340 5.176 ( 5.921 11.300 0.331) 12.762 5.409 ( 13.096 -8.950 -1.892) 15.975 5.674 ( -0.154 1.540 -4.193) 4.469 5.851 ( -5.123 -3.158 -0.936) 6.090 6.985 ( 3.422 1.164 -11.235) 11.802 7.050 ( 3.211 -0.428 -7.657) 8.314 7.179 ( -4.260 -0.057 -5.107) 6.651 7.183 ( -0.968 -0.757 -2.296) 2.604 9.432 ( 1.431 3.210 1.316) 3.752 9.494 ( 1.545 -2.984 0.861) 3.468 10.503 ( 0.420 5.926 1.232) 6.067 10.650 ( -0.824 -7.002 1.347) 7.177 11.330 ( -0.600 0.149 -0.777) 0.993 11.394 ( -2.689 -2.070 2.208) 4.048 12.124 ( -1.229 6.826 -5.244) 8.695 12.259 ( -1.033 -6.446 -4.982) 8.212 13.233 ( 2.208 0.531 2.295) 3.228 13.251 ( 1.049 0.297 3.055) 3.243 24.400 ( 0.690 0.178 -0.035) 0.713 24.430 ( -0.423 -0.250 0.851) 0.982 24.855 ( -1.381 3.722 -1.423) 4.218 24.952 ( -2.098 -5.191 -1.945) 5.927 25.334 ( 6.767 2.598 -0.475) 7.264 25.494 ( 1.302 -1.409 4.718) 5.093 26.247 ( 0.343 9.795 -1.376) 9.897 26.430 ( -1.027 -8.398 -2.360) 8.784 ======================= Grid point 438 (154/171) ======================= q-point: ( 0.70 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.171 ( 1.511 0.000 15.931) 16.003 2.184 ( 0.911 0.000 16.656) 16.681 2.352 ( -6.220 -0.000 -8.412) 10.462 2.538 ( 4.689 0.000 3.336) 5.755 2.566 ( 0.371 -0.000 -0.363) 0.520 2.995 ( -6.944 -0.000 1.884) 7.195 3.095 ( 5.359 0.000 2.116) 5.762 3.220 ( 2.398 -0.000 -4.118) 4.766 3.526 ( -6.119 0.000 14.871) 16.081 3.963 ( 9.863 0.000 4.010) 10.647 4.195 ( 2.191 0.000 1.738) 2.797 4.214 ( -4.013 -0.000 1.342) 4.231 4.366 ( -3.031 0.000 5.293) 6.099 4.555 ( 4.120 0.000 11.402) 12.123 4.751 ( -1.356 -0.000 -5.002) 5.182 4.961 ( -14.087 -0.000 2.562) 14.318 5.110 ( 12.991 0.000 -0.502) 13.001 5.256 ( -0.275 0.000 11.696) 11.699 5.599 ( 3.918 -0.000 -9.836) 10.588 5.856 ( 1.681 -0.000 -1.650) 2.356 6.829 ( 3.226 -0.000 -14.182) 14.545 6.895 ( 5.379 -0.000 -10.231) 11.559 7.184 ( -0.470 -0.000 -0.145) 0.492 7.234 ( -6.267 -0.000 -5.519) 8.351 9.415 ( 3.591 0.000 -0.757) 3.670 9.453 ( 1.936 0.000 1.645) 2.541 10.526 ( 1.128 0.000 -0.383) 1.191 10.663 ( -2.868 0.000 3.589) 4.594 11.340 ( -0.959 -0.000 0.360) 1.025 11.466 ( -4.136 0.000 4.016) 5.765 12.152 ( -1.895 -0.000 -7.215) 7.460 12.197 ( -2.705 -0.000 -5.676) 6.288 13.202 ( 4.002 0.000 1.959) 4.455 13.251 ( 2.210 0.000 3.308) 3.979 24.391 ( 0.213 -0.000 -0.118) 0.243 24.443 ( -0.112 0.000 1.288) 1.293 24.880 ( -0.735 -0.000 -2.671) 2.770 24.960 ( -4.009 -0.000 -1.140) 4.168 25.204 ( 7.581 0.000 -2.055) 7.855 25.508 ( 3.923 0.000 8.995) 9.813 26.292 ( 2.136 -0.000 -2.570) 3.342 26.365 ( -2.706 -0.000 -3.040) 4.070 ======================= Grid point 448 (155/171) ======================= q-point: ( 0.60 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.935 ( 0.000 17.486 9.112) 19.718 2.007 ( 0.000 11.925 25.458) 28.113 2.528 ( 0.000 -12.586 17.924) 21.901 2.532 ( -0.000 -6.511 -2.722) 7.057 2.697 ( 0.000 4.896 -1.916) 5.258 2.759 ( 0.000 -0.328 -5.007) 5.018 3.228 ( 0.000 -0.550 13.736) 13.747 3.300 ( -0.000 2.860 8.705) 9.163 3.586 ( 0.000 4.738 -0.506) 4.765 3.771 ( -0.000 0.856 -5.499) 5.566 4.103 ( -0.000 2.460 0.872) 2.610 4.281 ( -0.000 4.303 2.275) 4.867 4.345 ( -0.000 7.160 2.724) 7.660 4.629 ( -0.000 -6.417 0.999) 6.494 4.666 ( -0.000 2.734 11.050) 11.383 4.765 ( -0.000 -1.983 8.736) 8.959 5.117 ( -0.000 8.152 0.544) 8.170 5.565 ( -0.000 -4.039 -5.061) 6.475 5.716 ( -0.000 1.286 -0.299) 1.321 5.757 ( -0.000 -4.220 -2.590) 4.952 6.935 ( -0.000 2.861 -8.970) 9.415 6.981 ( -0.000 0.407 -13.458) 13.464 7.072 ( 0.000 0.760 -9.456) 9.487 7.169 ( 0.000 -4.332 -4.808) 6.472 9.430 ( -0.000 2.949 2.388) 3.795 9.543 ( -0.000 -2.590 0.752) 2.697 10.465 ( -0.000 5.454 2.657) 6.067 10.724 ( -0.000 -7.599 0.462) 7.613 11.310 ( -0.000 1.143 -0.347) 1.195 11.434 ( -0.000 -5.361 4.614) 7.073 11.999 ( -0.000 6.777 -6.681) 9.517 12.270 ( -0.000 -6.572 -6.264) 9.079 13.266 ( -0.000 1.301 2.839) 3.123 13.277 ( -0.000 0.460 2.807) 2.844 24.408 ( -0.000 0.505 0.580) 0.769 24.432 ( -0.000 -0.589 0.245) 0.638 24.806 ( -0.000 2.063 -0.447) 2.111 24.967 ( -0.000 -5.416 -2.701) 6.052 25.365 ( -0.000 5.784 2.522) 6.310 25.542 ( -0.000 -2.989 1.178) 3.212 26.154 ( 0.000 8.729 -0.195) 8.732 26.469 ( -0.000 -6.349 -3.652) 7.325 ======================= Grid point 449 (156/171) ======================= q-point: ( 0.70 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.173 ( -1.635 12.178 6.835) 14.061 2.285 ( 1.511 8.067 17.254) 19.107 2.400 ( 2.832 -8.392 1.376) 8.963 2.565 ( -3.969 -6.788 3.448) 8.586 2.640 ( 3.610 -0.746 4.356) 5.706 2.864 ( -8.096 1.887 1.309) 8.415 3.253 ( 7.612 0.475 9.076) 11.856 3.325 ( 10.388 -3.503 2.097) 11.162 3.553 ( -3.209 4.372 13.067) 14.148 4.007 ( -18.311 1.972 -0.426) 18.421 4.096 ( 6.887 7.440 2.694) 10.490 4.268 ( 2.580 -2.694 0.799) 3.815 4.367 ( 3.082 0.848 0.891) 3.319 4.716 ( -0.268 -0.058 6.433) 6.438 4.753 ( -8.414 0.370 7.019) 10.963 4.793 ( 3.176 -2.086 2.021) 4.303 5.203 ( 2.737 9.240 2.321) 9.912 5.406 ( 5.444 -7.528 4.038) 10.130 5.615 ( 5.310 0.470 -3.030) 6.132 5.832 ( -3.845 -0.750 -1.470) 4.184 6.775 ( 5.162 0.955 -14.802) 15.706 6.892 ( 3.728 -0.065 -12.141) 12.701 7.049 ( -6.508 1.007 -10.495) 12.390 7.130 ( -3.928 -1.461 -4.871) 6.426 9.453 ( 2.576 2.362 1.190) 3.692 9.510 ( 1.731 -2.060 1.246) 2.966 10.530 ( 1.182 4.324 2.099) 4.950 10.675 ( -1.672 -5.322 1.680) 5.826 11.338 ( -0.362 1.312 2.042) 2.454 11.449 ( -3.430 -3.942 4.914) 7.173 12.017 ( -1.225 6.643 -8.195) 10.620 12.158 ( -1.400 -6.746 -7.689) 10.324 13.271 ( 2.667 0.614 2.263) 3.551 13.301 ( 0.809 0.281 2.968) 3.089 24.401 ( 1.021 0.041 0.139) 1.031 24.444 ( -0.938 -0.087 0.862) 1.277 24.830 ( -0.976 2.245 -1.597) 2.923 24.916 ( -2.499 -4.410 -2.394) 5.606 25.330 ( 9.142 1.792 0.025) 9.316 25.581 ( -2.641 0.116 6.019) 6.574 26.221 ( 1.014 8.554 -1.797) 8.799 26.382 ( -0.717 -7.478 -3.668) 8.360 ======================= Grid point 450 (157/171) ======================= q-point: ( 0.80 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.190 ( 4.193 -0.000 -9.546) 10.427 2.350 ( 0.938 0.000 6.798) 6.862 2.432 ( 1.167 0.000 13.321) 13.372 2.536 ( 6.197 0.000 -2.107) 6.546 2.683 ( -1.448 0.000 9.043) 9.158 3.011 ( -5.468 -0.000 0.341) 5.478 3.179 ( -1.281 -0.000 -1.269) 1.803 3.205 ( 10.469 0.000 13.777) 17.303 3.803 ( -6.774 0.000 19.029) 20.199 4.010 ( 10.251 0.000 2.642) 10.586 4.226 ( 1.497 0.000 1.983) 2.485 4.230 ( -1.835 0.000 0.790) 1.998 4.430 ( -8.244 -0.000 2.192) 8.531 4.658 ( 1.243 -0.000 -6.675) 6.789 4.746 ( 3.978 0.000 11.687) 12.345 4.983 ( -10.664 -0.000 -0.609) 10.681 5.101 ( 8.177 0.000 0.011) 8.177 5.444 ( 10.004 -0.000 -8.993) 13.452 5.467 ( 1.416 0.000 12.098) 12.180 5.843 ( -0.632 0.000 2.078) 2.172 6.606 ( 1.662 -0.000 -13.412) 13.514 6.722 ( 4.171 -0.000 -11.019) 11.782 7.097 ( -8.388 -0.000 -11.394) 14.148 7.162 ( -3.692 -0.000 -2.525) 4.473 9.401 ( 4.514 0.000 -1.003) 4.624 9.482 ( 2.348 0.000 1.932) 3.040 10.525 ( 2.311 0.000 0.225) 2.322 10.719 ( -3.550 0.000 3.330) 4.868 11.373 ( -0.486 0.000 3.967) 3.997 11.548 ( -5.113 0.000 6.398) 8.190 12.017 ( -2.011 -0.000 -9.624) 9.832 12.089 ( -3.271 -0.000 -7.877) 8.529 13.231 ( 4.430 0.000 1.569) 4.700 13.300 ( 2.207 0.000 2.647) 3.446 24.391 ( 0.207 0.000 0.069) 0.219 24.462 ( -0.267 0.000 1.075) 1.107 24.842 ( -1.175 -0.000 -2.098) 2.405 24.939 ( -4.480 -0.000 -1.351) 4.679 25.176 ( 8.919 0.000 -1.476) 9.041 25.664 ( 1.689 0.000 10.596) 10.730 26.257 ( 2.822 -0.000 -1.854) 3.377 26.292 ( -2.770 -0.000 -6.180) 6.773 ======================= Grid point 460 (158/171) ======================= q-point: ( 0.70 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.093 ( 0.000 14.529 10.540) 17.949 2.331 ( -0.000 8.639 12.486) 15.183 2.534 ( 0.000 -6.111 4.451) 7.561 2.597 ( -0.000 -6.318 -4.651) 7.846 2.656 ( 0.000 4.957 -2.757) 5.672 2.847 ( 0.000 -5.682 9.477) 11.050 3.464 ( -0.000 12.442 10.829) 16.495 3.487 ( -0.000 -2.931 17.408) 17.653 3.602 ( -0.000 -3.215 4.410) 5.458 3.707 ( 0.000 5.209 -1.422) 5.399 4.111 ( -0.000 3.881 0.396) 3.901 4.271 ( -0.000 3.038 -1.596) 3.432 4.426 ( 0.000 4.593 5.659) 7.288 4.631 ( -0.000 -4.866 -0.241) 4.872 4.844 ( -0.000 0.571 8.051) 8.071 4.864 ( -0.000 -1.264 1.553) 2.002 5.166 ( 0.000 7.882 8.204) 11.377 5.549 ( -0.000 -5.330 4.683) 7.095 5.711 ( 0.000 1.584 -0.371) 1.627 5.726 ( -0.000 -0.312 -1.426) 1.460 6.721 ( -0.000 2.343 -18.772) 18.918 6.755 ( 0.000 0.836 -13.588) 13.613 6.914 ( -0.000 2.568 -9.739) 10.072 7.056 ( -0.000 -4.450 -9.089) 10.120 9.470 ( 0.000 2.219 2.522) 3.359 9.551 ( 0.000 -1.744 0.241) 1.761 10.521 ( -0.000 4.057 4.272) 5.891 10.726 ( -0.000 -6.110 -0.376) 6.121 11.330 ( -0.000 2.516 3.123) 4.010 11.532 ( 0.000 -7.935 7.693) 11.052 11.872 ( 0.000 6.440 -9.196) 11.227 12.152 ( 0.000 -7.519 -8.526) 11.368 13.307 ( -0.000 1.350 2.239) 2.614 13.317 ( -0.000 0.748 2.028) 2.162 24.418 ( -0.000 0.382 0.655) 0.758 24.436 ( -0.000 -0.421 0.178) 0.457 24.802 ( 0.000 0.264 0.060) 0.271 24.920 ( -0.000 -5.144 -3.121) 6.017 25.413 ( -0.000 5.624 3.393) 6.568 25.557 ( -0.000 -1.089 0.460) 1.183 26.158 ( -0.000 6.321 0.875) 6.381 26.401 ( -0.000 -4.871 -4.825) 6.856 ======================= Grid point 461 (159/171) ======================= q-point: ( 0.80 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.226 ( 5.574 0.785 -0.487) 5.650 2.384 ( 2.517 8.596 4.428) 9.992 2.552 ( -1.684 -5.732 0.924) 6.045 2.576 ( 0.125 0.931 10.316) 10.359 2.699 ( -1.303 3.473 -0.240) 3.717 2.899 ( -7.010 -4.113 1.468) 8.259 3.281 ( 15.080 -0.021 -1.526) 15.157 3.524 ( 10.385 -0.040 19.190) 21.820 3.833 ( -8.737 3.753 19.149) 21.380 4.003 ( -18.707 2.055 0.565) 18.828 4.133 ( 4.478 8.028 2.025) 9.412 4.272 ( 1.418 -0.120 -0.169) 1.433 4.384 ( 4.655 -1.919 1.424) 5.232 4.733 ( 0.909 -1.330 -4.387) 4.673 4.751 ( -4.399 -2.399 -2.275) 5.503 4.899 ( -1.345 -0.545 3.798) 4.066 5.250 ( 10.039 3.687 6.403) 12.464 5.559 ( 5.808 1.376 6.776) 9.030 5.597 ( 3.205 -1.987 6.546) 7.555 5.815 ( -4.370 -0.302 0.467) 4.405 6.530 ( 3.505 0.855 -15.441) 15.857 6.671 ( 0.630 0.265 -15.569) 15.584 6.872 ( -4.343 1.352 -10.737) 11.661 7.037 ( -7.164 -1.037 -6.334) 9.619 9.466 ( 4.130 0.969 0.431) 4.264 9.532 ( 1.257 -0.648 1.315) 1.931 10.565 ( 2.370 1.916 2.162) 3.736 10.700 ( -2.750 -2.893 1.350) 4.214 11.401 ( -0.149 2.788 6.006) 6.623 11.551 ( -3.612 -5.716 7.843) 10.355 11.870 ( -1.304 6.303 -10.149) 12.018 12.019 ( -1.948 -7.146 -9.593) 12.120 13.300 ( 3.004 0.695 1.385) 3.380 13.340 ( 0.570 0.326 1.922) 2.031 24.404 ( 1.234 -0.019 0.176) 1.246 24.456 ( -1.312 0.015 0.628) 1.454 24.807 ( -0.505 0.471 -1.141) 1.334 24.881 ( -3.063 -3.325 -1.964) 4.929 25.333 ( 11.117 1.364 0.258) 11.203 25.677 ( -7.240 1.790 5.787) 9.439 26.191 ( 2.623 5.961 -1.897) 6.784 26.321 ( -0.193 -5.771 -3.706) 6.861 ======================= Grid point 462 (160/171) ======================= q-point: ( 0.90 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.067 ( 7.253 -0.000 -5.541) 9.127 2.434 ( 1.559 0.000 4.063) 4.352 2.472 ( 11.815 0.000 -2.293) 12.036 2.637 ( -0.065 0.000 8.841) 8.841 2.745 ( -0.537 -0.000 0.189) 0.569 3.008 ( -8.104 -0.000 -0.660) 8.131 3.167 ( -3.176 -0.000 -0.467) 3.210 3.495 ( 11.550 0.000 18.479) 21.792 4.069 ( 9.704 0.000 5.717) 11.263 4.096 ( -3.979 0.000 16.323) 16.801 4.240 ( -0.615 0.000 0.367) 0.716 4.257 ( 0.322 0.000 2.241) 2.264 4.413 ( -1.585 -0.000 -5.847) 6.058 4.555 ( -7.895 -0.000 -4.672) 9.174 4.845 ( 0.737 -0.000 -3.543) 3.619 4.962 ( -3.894 0.000 2.009) 4.382 5.131 ( 4.626 0.000 3.337) 5.704 5.336 ( 16.838 0.000 -4.315) 17.382 5.544 ( 13.067 0.000 -1.191) 13.122 5.997 ( -8.385 0.000 15.676) 17.777 6.425 ( -2.450 -0.000 -8.653) 8.993 6.561 ( -0.347 -0.000 -9.152) 9.158 6.897 ( -8.264 -0.000 -12.381) 14.886 7.115 ( -6.516 -0.000 -2.865) 7.118 9.387 ( 5.090 0.000 -0.707) 5.139 9.509 ( 2.611 0.000 1.279) 2.907 10.531 ( 3.213 0.000 0.359) 3.233 10.763 ( -3.982 0.000 2.083) 4.494 11.462 ( 0.607 0.000 6.864) 6.891 11.666 ( -5.337 0.000 8.309) 9.875 11.857 ( -2.618 -0.000 -9.953) 10.291 11.953 ( -4.033 -0.000 -9.084) 9.939 13.249 ( 4.636 0.000 0.755) 4.697 13.332 ( 2.198 0.000 1.393) 2.602 24.392 ( 0.211 0.000 0.086) 0.228 24.476 ( -0.372 0.000 0.607) 0.712 24.816 ( -1.820 -0.000 -1.149) 2.152 24.920 ( -4.774 -0.000 -0.854) 4.849 25.158 ( 10.155 0.000 -0.777) 10.185 25.838 ( -1.160 0.000 11.133) 11.193 26.172 ( -1.492 -0.000 -8.808) 8.933 26.235 ( 3.124 0.000 -0.949) 3.265 ======================= Grid point 464 (161/171) ======================= q-point: ( 1.00 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.022 ( 8.352 0.000 -0.000) 8.352 2.452 ( 13.536 0.000 -0.000) 13.536 2.470 ( 1.637 0.000 -0.000) 1.637 2.713 ( 0.616 0.000 -0.000) 0.616 2.739 ( 0.303 0.000 -0.000) 0.303 2.999 ( -11.009 -0.000 0.000) 11.009 3.163 ( -3.144 -0.000 0.000) 3.144 3.660 ( 11.732 0.000 -0.000) 11.732 4.191 ( 8.617 0.000 -0.000) 8.617 4.225 ( -0.100 -0.000 0.000) 0.100 4.229 ( 3.087 0.000 -0.000) 3.087 4.288 ( 2.796 0.000 -0.000) 2.796 4.307 ( -3.471 -0.000 0.000) 3.471 4.527 ( -16.219 -0.000 0.000) 16.219 4.766 ( 1.360 0.000 -0.000) 1.360 4.993 ( -6.154 -0.000 0.000) 6.154 5.167 ( 8.365 0.000 -0.000) 8.365 5.304 ( 19.495 0.000 -0.000) 19.495 5.522 ( 16.472 0.000 -0.000) 16.472 6.181 ( -6.895 -0.000 0.000) 6.895 6.353 ( -5.290 -0.000 0.000) 5.290 6.455 ( -7.454 -0.000 0.000) 7.454 6.780 ( -5.702 -0.000 0.000) 5.702 7.089 ( -7.629 -0.000 0.000) 7.629 9.381 ( 5.280 0.000 -0.000) 5.280 9.519 ( 2.689 0.000 -0.000) 2.689 10.534 ( 3.542 0.000 -0.000) 3.542 10.780 ( -4.135 -0.000 0.000) 4.135 11.543 ( 2.498 0.000 -0.000) 2.498 11.752 ( -4.267 -0.000 0.000) 4.267 11.803 ( -4.816 -0.000 0.000) 4.816 11.810 ( -4.877 -0.000 0.000) 4.877 13.255 ( 4.693 0.000 -0.000) 4.693 13.343 ( 2.189 0.000 -0.000) 2.189 24.393 ( 0.215 0.000 -0.000) 0.215 24.481 ( -0.409 -0.000 0.000) 0.409 24.806 ( -2.109 -0.000 0.000) 2.109 24.913 ( -4.877 -0.000 0.000) 4.877 25.152 ( 10.653 0.000 -0.000) 10.653 25.991 ( -12.357 -0.000 0.000) 12.357 26.037 ( 9.149 0.000 -0.000) 9.149 26.227 ( 3.199 0.000 -0.000) 3.199 ======================= Grid point 475 (162/171) ======================= q-point: ( 0.80 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.259 ( 0.000 11.217 10.153) 15.130 2.416 ( -0.000 -1.825 1.883) 2.622 2.524 ( 0.000 -3.588 -3.992) 5.367 2.546 ( 0.000 10.818 -5.269) 12.033 2.716 ( 0.000 -3.836 9.405) 10.157 2.910 ( -0.000 -5.045 -0.944) 5.133 3.550 ( 0.000 8.911 1.994) 9.132 3.603 ( -0.000 -0.414 -1.073) 1.151 3.786 ( 0.000 2.012 14.394) 14.534 3.849 ( 0.000 6.510 14.545) 15.936 4.127 ( 0.000 4.172 2.381) 4.804 4.246 ( -0.000 3.025 -1.604) 3.424 4.519 ( 0.000 -0.288 6.380) 6.387 4.634 ( 0.000 -5.080 1.086) 5.194 4.807 ( 0.000 -0.766 -7.180) 7.221 4.852 ( -0.000 -3.060 -5.621) 6.400 5.412 ( 0.000 8.234 20.237) 21.848 5.693 ( 0.000 -0.901 9.030) 9.075 5.706 ( 0.000 1.856 -0.149) 1.862 5.711 ( -0.000 -1.382 0.682) 1.541 6.417 ( 0.000 3.230 -17.614) 17.908 6.515 ( 0.000 -1.231 -16.032) 16.079 6.794 ( -0.000 2.939 -4.452) 5.334 6.903 ( 0.000 -2.316 -9.379) 9.661 9.507 ( 0.000 1.290 2.056) 2.427 9.549 ( 0.000 -0.758 -0.554) 0.939 10.594 ( 0.000 1.775 4.691) 5.015 10.708 ( 0.000 -3.794 -1.983) 4.280 11.412 ( -0.000 3.905 7.167) 8.162 11.673 ( 0.000 -9.386 9.479) 13.339 11.714 ( 0.000 5.874 -10.059) 11.649 12.004 ( 0.000 -8.665 -10.066) 13.282 13.335 ( 0.000 1.366 1.187) 1.809 13.340 ( -0.000 1.071 0.878) 1.385 24.427 ( -0.000 0.211 0.548) 0.587 24.437 ( -0.000 -0.215 -0.030) 0.217 24.810 ( -0.000 -1.615 0.978) 1.888 24.872 ( -0.000 -4.446 -2.827) 5.268 25.469 ( -0.000 5.011 3.552) 6.143 25.552 ( -0.000 1.419 -1.161) 1.834 26.186 ( -0.000 3.022 2.717) 4.064 26.321 ( -0.000 -2.886 -5.150) 5.903 ======================= Grid point 476 (163/171) ======================= q-point: ( 0.90 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.204 ( 10.231 -3.574 -1.104) 10.893 2.463 ( 2.583 8.923 3.854) 10.057 2.543 ( -3.263 -2.221 -0.186) 3.951 2.664 ( -3.106 10.834 -2.561) 11.558 2.723 ( 1.248 -4.286 5.914) 7.410 2.890 ( -6.900 -7.271 -1.832) 10.189 3.263 ( 15.335 -0.164 -0.586) 15.347 3.789 ( 11.094 3.855 10.420) 15.701 3.993 ( -23.161 2.280 1.754) 23.339 4.113 ( -6.221 6.745 8.451) 12.474 4.171 ( 3.337 6.451 4.053) 8.317 4.263 ( 0.619 2.578 -0.996) 2.832 4.421 ( 5.792 -7.998 3.286) 10.407 4.603 ( 9.633 -1.316 -8.500) 12.914 4.722 ( -9.377 -4.850 -2.408) 10.828 4.889 ( -6.308 0.259 -1.822) 6.571 5.384 ( 17.342 0.670 6.456) 18.517 5.575 ( 13.248 1.269 1.054) 13.350 5.715 ( 6.686 1.074 1.491) 6.934 5.929 ( -12.905 1.803 11.827) 17.597 6.328 ( -1.279 0.042 -7.667) 7.773 6.419 ( -4.114 -0.094 -14.210) 14.794 6.746 ( -0.316 0.586 -4.302) 4.353 6.955 ( -9.233 0.234 -3.114) 9.747 9.469 ( 5.089 0.214 0.062) 5.094 9.547 ( 0.849 0.102 0.550) 1.017 10.591 ( 3.439 -0.210 0.944) 3.573 10.715 ( -3.698 -0.744 0.503) 3.806 11.521 ( 0.597 3.916 8.427) 9.312 11.679 ( -2.382 -1.975 2.360) 3.891 11.718 ( -2.744 1.106 -2.482) 3.862 11.860 ( -2.708 -7.402 -10.281) 12.954 13.314 ( 3.183 0.744 0.432) 3.297 13.361 ( 0.408 0.372 0.639) 0.844 24.406 ( 1.339 -0.040 0.077) 1.342 24.463 ( -1.505 0.070 0.229) 1.524 24.795 ( -0.090 -0.938 -0.389) 1.019 24.858 ( -3.568 -2.340 -0.770) 4.336 25.337 ( 12.280 1.161 0.139) 12.335 25.749 ( -11.656 3.568 2.719) 12.489 26.165 ( 5.754 1.750 -1.148) 6.123 26.276 ( -0.346 -2.928 -1.546) 3.329 ======================= Grid point 487 (164/171) ======================= q-point: (-0.10 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.401 ( -0.000 2.982 -6.315) 6.984 2.401 ( 0.000 2.982 6.315) 6.984 2.480 ( -0.000 4.284 -0.253) 4.291 2.480 ( -0.000 4.284 0.253) 4.291 2.846 ( 0.000 -3.628 -6.298) 7.268 2.846 ( 0.000 -3.628 6.298) 7.268 3.577 ( 0.000 3.698 -0.404) 3.720 3.577 ( 0.000 3.698 0.404) 3.720 3.941 ( -0.000 7.843 -2.906) 8.364 3.941 ( -0.000 7.843 2.906) 8.364 4.201 ( -0.000 2.507 -4.866) 5.474 4.201 ( 0.000 2.507 4.866) 5.474 4.629 ( 0.000 -6.569 -5.732) 8.719 4.629 ( 0.000 -6.569 5.732) 8.719 4.742 ( 0.000 -0.375 -3.880) 3.898 4.742 ( 0.000 -0.375 3.880) 3.898 5.686 ( 0.000 1.939 -4.479) 4.881 5.686 ( 0.000 1.939 4.479) 4.881 5.726 ( -0.000 4.114 -6.339) 7.557 5.726 ( 0.000 4.114 6.339) 7.557 6.303 ( -0.000 -0.941 -6.716) 6.782 6.303 ( 0.000 -0.941 6.716) 6.782 6.790 ( -0.000 0.835 -3.357) 3.459 6.790 ( 0.000 0.835 3.357) 3.459 9.534 ( -0.000 0.276 -1.146) 1.179 9.534 ( 0.000 0.276 1.146) 1.179 10.662 ( -0.000 -0.995 -3.533) 3.671 10.662 ( 0.000 -0.995 3.533) 3.671 11.550 ( -0.000 5.013 -9.842) 11.045 11.550 ( 0.000 5.013 9.842) 11.045 11.838 ( -0.000 -9.467 -10.616) 14.224 11.838 ( 0.000 -9.467 10.616) 14.224 13.345 ( 0.000 1.287 -0.048) 1.288 13.345 ( 0.000 1.287 0.048) 1.288 24.434 ( 0.000 0.004 -0.138) 0.138 24.434 ( 0.000 0.004 0.138) 0.138 24.833 ( 0.000 -3.249 -1.871) 3.750 24.833 ( 0.000 -3.249 1.871) 3.750 25.520 ( 0.000 3.644 -1.561) 3.964 25.520 ( 0.000 3.644 1.561) 3.964 26.243 ( -0.000 -0.257 -4.168) 4.176 26.243 ( 0.000 -0.257 4.168) 4.176 ======================= Grid point 529 (165/171) ======================= q-point: ( 0.50 -0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.816 ( -1.774 -12.018 -0.000) 12.148 1.816 ( -1.774 12.018 0.000) 12.148 2.467 ( -8.254 -13.552 0.000) 15.867 2.467 ( -8.254 13.552 0.000) 15.867 2.821 ( -0.270 -0.421 0.000) 0.500 2.821 ( -0.270 0.421 -0.000) 0.500 3.129 ( -4.630 -0.355 0.000) 4.644 3.129 ( -4.630 0.355 -0.000) 4.644 3.640 ( 6.672 -4.092 0.000) 7.827 3.640 ( 6.672 4.092 -0.000) 7.827 4.165 ( 0.837 -5.649 -0.000) 5.711 4.165 ( 0.837 5.649 0.000) 5.711 4.317 ( 3.670 -0.000 0.000) 3.670 4.317 ( 3.670 0.000 -0.000) 3.670 4.870 ( -12.407 -0.002 0.000) 12.407 4.870 ( -12.407 0.002 0.000) 12.407 5.103 ( 11.750 -8.087 -0.000) 14.264 5.103 ( 11.750 8.087 -0.000) 14.264 5.832 ( 0.287 -4.558 0.000) 4.567 5.832 ( 0.287 4.558 -0.000) 4.567 7.119 ( 4.274 -0.428 0.000) 4.295 7.119 ( 4.274 0.428 -0.000) 4.295 7.196 ( -0.685 -0.228 0.000) 0.722 7.196 ( -0.685 0.228 -0.000) 0.722 9.426 ( 1.806 -3.131 -0.000) 3.615 9.426 ( 1.806 3.131 -0.000) 3.615 10.566 ( -1.004 -6.845 0.000) 6.918 10.566 ( -1.004 6.845 0.000) 6.918 11.384 ( -1.777 -0.295 0.000) 1.801 11.384 ( -1.777 0.295 -0.000) 1.801 12.280 ( -2.033 -6.143 0.000) 6.470 12.280 ( -2.033 6.143 0.000) 6.470 13.172 ( 2.701 -0.120 0.000) 2.704 13.172 ( 2.701 0.120 -0.000) 2.704 24.406 ( 0.160 -0.119 0.000) 0.200 24.406 ( 0.160 0.119 -0.000) 0.200 24.958 ( -2.148 -5.110 0.000) 5.543 24.958 ( -2.148 5.110 0.000) 5.543 25.296 ( 6.324 -0.887 0.000) 6.386 25.296 ( 6.324 0.887 -0.000) 6.386 26.374 ( -0.429 -10.491 -0.000) 10.500 26.374 ( -0.429 10.491 0.000) 10.500 ======================= Grid point 541 (166/171) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.768 ( 0.000 -16.097 -0.000) 16.097 1.768 ( -0.000 16.097 0.000) 16.097 2.237 ( 0.000 -21.707 -0.000) 21.707 2.237 ( -0.000 21.707 0.000) 21.707 2.890 ( 0.000 -6.332 -0.000) 6.332 2.890 ( -0.000 6.332 0.000) 6.332 3.058 ( 0.000 -2.620 -0.000) 2.620 3.058 ( -0.000 2.620 0.000) 2.620 3.779 ( 0.000 -9.099 -0.000) 9.099 3.779 ( -0.000 9.099 0.000) 9.099 4.188 ( 0.000 -7.295 -0.000) 7.295 4.188 ( -0.000 7.295 0.000) 7.295 4.419 ( 0.000 -4.980 -0.000) 4.980 4.419 ( -0.000 4.980 0.000) 4.980 4.558 ( 0.000 -4.898 -0.000) 4.898 4.558 ( -0.000 4.898 0.000) 4.898 5.458 ( 0.000 -20.513 -0.000) 20.513 5.458 ( -0.000 20.513 0.000) 20.513 5.720 ( 0.000 -1.140 -0.000) 1.140 5.720 ( -0.000 1.140 0.000) 1.140 7.143 ( 0.000 -2.026 -0.000) 2.026 7.143 ( -0.000 2.026 0.000) 2.026 7.222 ( 0.000 -0.294 -0.000) 0.294 7.222 ( -0.000 0.294 0.000) 0.294 9.456 ( 0.000 -3.566 -0.000) 3.566 9.456 ( -0.000 3.566 0.000) 3.566 10.558 ( 0.000 -7.132 -0.000) 7.132 10.558 ( -0.000 7.132 0.000) 7.132 11.346 ( 0.000 -0.776 -0.000) 0.776 11.346 ( -0.000 0.776 0.000) 0.776 12.247 ( 0.000 -6.929 -0.000) 6.929 12.247 ( -0.000 6.929 0.000) 6.929 13.219 ( 0.000 -0.147 -0.000) 0.147 13.219 ( -0.000 0.147 0.000) 0.147 24.412 ( 0.000 -0.803 -0.000) 0.803 24.412 ( -0.000 0.803 0.000) 0.803 24.908 ( 0.000 -5.236 -0.000) 5.236 24.908 ( -0.000 5.236 0.000) 5.236 25.428 ( 0.000 -4.863 -0.000) 4.863 25.428 ( -0.000 4.863 0.000) 4.863 26.360 ( 0.000 -9.467 -0.000) 9.467 26.360 ( -0.000 9.467 0.000) 9.467 ======================= Grid point 553 (167/171) ======================= q-point: (-0.40 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.910 ( 0.000 -13.571 16.282) 21.197 1.910 ( 0.000 13.571 16.282) 21.197 2.265 ( 0.000 -18.656 3.441) 18.971 2.265 ( -0.000 18.656 3.441) 18.971 2.823 ( -0.000 -3.206 -5.975) 6.781 2.823 ( -0.000 3.206 -5.975) 6.781 3.131 ( 0.000 -3.933 7.162) 8.171 3.131 ( 0.000 3.933 7.162) 8.171 3.757 ( 0.000 -6.441 -2.462) 6.895 3.757 ( 0.000 6.441 -2.462) 6.895 4.207 ( 0.000 -7.430 1.787) 7.642 4.207 ( -0.000 7.430 1.787) 7.642 4.447 ( 0.000 -5.889 2.969) 6.595 4.447 ( 0.000 5.889 2.969) 6.595 4.594 ( 0.000 -3.491 4.951) 6.058 4.594 ( 0.000 3.491 4.951) 6.058 5.423 ( 0.000 -18.076 -3.932) 18.499 5.423 ( -0.000 18.076 -3.932) 18.499 5.725 ( 0.000 -0.060 0.488) 0.491 5.725 ( 0.000 0.060 0.488) 0.491 7.104 ( -0.000 -2.007 -5.072) 5.455 7.104 ( -0.000 2.007 -5.072) 5.455 7.189 ( -0.000 -0.683 -3.944) 4.003 7.189 ( -0.000 0.683 -3.944) 4.003 9.465 ( 0.000 -3.408 1.114) 3.586 9.465 ( -0.000 3.408 1.114) 3.586 10.565 ( 0.000 -7.039 0.829) 7.088 10.565 ( -0.000 7.039 0.829) 7.088 11.343 ( 0.000 -1.332 -0.190) 1.346 11.343 ( -0.000 1.332 -0.190) 1.346 12.218 ( 0.000 -6.930 -3.574) 7.797 12.218 ( -0.000 6.930 -3.574) 7.797 13.238 ( 0.000 -0.126 2.177) 2.181 13.238 ( 0.000 0.126 2.177) 2.181 24.414 ( 0.000 -0.711 0.263) 0.758 24.414 ( -0.000 0.711 0.263) 0.758 24.897 ( 0.000 -4.989 -1.288) 5.153 24.897 ( -0.000 4.989 -1.288) 5.153 25.439 ( 0.000 -4.596 1.294) 4.775 25.439 ( -0.000 4.596 1.294) 4.775 26.350 ( 0.000 -9.170 -1.185) 9.246 26.350 ( -0.000 9.170 -1.185) 9.246 ======================= Grid point 565 (168/171) ======================= q-point: (-0.30 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.197 ( 0.000 -0.160 16.220) 16.221 2.197 ( 0.000 0.160 16.220) 16.221 2.347 ( 0.000 -2.097 7.284) 7.580 2.347 ( 0.000 2.097 7.284) 7.580 2.746 ( 0.000 -0.203 -2.819) 2.826 2.746 ( 0.000 0.203 -2.819) 2.826 3.268 ( 0.000 -3.319 10.706) 11.208 3.268 ( 0.000 3.319 10.706) 11.208 3.714 ( 0.000 -3.717 -2.554) 4.510 3.714 ( 0.000 3.717 -2.554) 4.510 4.232 ( 0.000 -7.363 1.263) 7.470 4.232 ( -0.000 7.363 1.263) 7.470 4.491 ( 0.000 -5.707 2.257) 6.138 4.491 ( 0.000 5.707 2.257) 6.138 4.721 ( 0.000 -1.957 10.191) 10.378 4.721 ( 0.000 1.957 10.191) 10.378 5.356 ( 0.000 -14.101 -3.458) 14.519 5.356 ( -0.000 14.101 -3.458) 14.519 5.730 ( 0.000 -0.012 0.107) 0.108 5.730 ( 0.000 0.012 0.107) 0.108 6.975 ( -0.000 -0.463 -11.211) 11.221 6.975 ( -0.000 0.463 -11.211) 11.221 7.102 ( -0.000 -2.057 -6.965) 7.262 7.102 ( -0.000 2.057 -6.965) 7.262 9.488 ( 0.000 -2.911 1.628) 3.335 9.488 ( -0.000 2.911 1.628) 3.335 10.584 ( 0.000 -6.500 1.628) 6.700 10.584 ( -0.000 6.500 1.628) 6.700 11.351 ( 0.000 -2.944 1.632) 3.366 11.351 ( -0.000 2.944 1.632) 3.366 12.135 ( -0.000 -6.992 -6.787) 9.745 12.135 ( -0.000 6.992 -6.787) 9.745 13.280 ( 0.000 -0.116 2.883) 2.886 13.280 ( 0.000 0.116 2.883) 2.886 24.419 ( 0.000 -0.494 0.428) 0.653 24.419 ( 0.000 0.494 0.428) 0.653 24.870 ( 0.000 -4.261 -2.039) 4.724 24.870 ( -0.000 4.261 -2.039) 4.724 25.468 ( 0.000 -3.767 2.287) 4.407 25.468 ( 0.000 3.767 2.287) 4.407 26.324 ( 0.000 -8.225 -2.108) 8.491 26.324 ( -0.000 8.225 -2.108) 8.491 ======================= Grid point 577 (169/171) ======================= q-point: (-0.20 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.345 ( 0.000 -9.818 3.934) 10.577 2.345 ( -0.000 9.818 3.934) 10.577 2.484 ( 0.000 -4.644 7.815) 9.091 2.484 ( 0.000 4.644 7.815) 9.091 2.746 ( 0.000 -3.684 1.866) 4.130 2.746 ( 0.000 3.684 1.866) 4.130 3.484 ( 0.000 -2.842 15.243) 15.505 3.484 ( 0.000 2.842 15.243) 15.505 3.693 ( 0.000 -4.016 1.477) 4.279 3.693 ( 0.000 4.016 1.477) 4.279 4.249 ( 0.000 -6.429 0.928) 6.495 4.249 ( -0.000 6.429 0.928) 6.495 4.518 ( 0.000 -3.964 1.161) 4.131 4.518 ( 0.000 3.964 1.161) 4.131 4.848 ( 0.000 -0.109 3.162) 3.164 4.848 ( 0.000 0.109 3.162) 3.164 5.369 ( 0.000 -11.033 7.123) 13.132 5.369 ( -0.000 11.033 7.123) 13.132 5.728 ( 0.000 -0.006 -0.269) 0.270 5.728 ( 0.000 0.006 -0.269) 0.270 6.755 ( -0.000 -0.270 -16.314) 16.316 6.755 ( -0.000 0.270 -16.314) 16.316 6.975 ( -0.000 -2.934 -8.606) 9.093 6.975 ( -0.000 2.934 -8.606) 9.093 9.513 ( 0.000 -2.020 1.409) 2.463 9.513 ( 0.000 2.020 1.409) 2.463 10.614 ( 0.000 -5.050 1.964) 5.419 10.614 ( -0.000 5.050 1.964) 5.419 11.404 ( 0.000 -4.912 5.173) 7.133 11.404 ( 0.000 4.912 5.173) 7.133 12.007 ( -0.000 -7.162 -9.337) 11.768 12.007 ( -0.000 7.162 -9.337) 11.768 13.322 ( 0.000 -0.074 2.235) 2.237 13.322 ( 0.000 0.074 2.235) 2.237 24.426 ( 0.000 -0.254 0.430) 0.500 24.426 ( 0.000 0.254 0.430) 0.500 24.837 ( 0.000 -3.079 -1.980) 3.661 24.837 ( -0.000 3.079 -1.980) 3.661 25.507 ( 0.000 -2.388 2.572) 3.510 25.507 ( 0.000 2.388 2.572) 3.510 26.287 ( 0.000 -6.445 -2.396) 6.875 26.287 ( -0.000 6.445 -2.396) 6.875 ======================= Grid point 590 (170/171) ======================= q-point: (-0.10 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.371 ( 0.000 -0.590 0.233) 0.635 2.371 ( 0.000 0.590 0.233) 0.635 2.589 ( 0.000 -7.692 5.843) 9.659 2.589 ( 0.000 7.692 5.843) 9.659 2.757 ( 0.000 -9.657 -1.054) 9.715 2.757 ( -0.000 9.657 -1.054) 9.715 3.601 ( 0.000 -0.018 0.724) 0.724 3.601 ( 0.000 0.018 0.724) 0.724 3.870 ( 0.000 -2.185 17.106) 17.245 3.870 ( 0.000 2.185 17.106) 17.245 4.263 ( 0.000 -4.831 1.005) 4.935 4.263 ( -0.000 4.831 1.005) 4.935 4.525 ( 0.000 -1.935 -0.431) 1.983 4.525 ( 0.000 1.935 -0.431) 1.983 4.809 ( -0.000 -0.252 -5.931) 5.936 4.809 ( -0.000 0.252 -5.931) 5.936 5.573 ( 0.000 -5.923 15.820) 16.892 5.573 ( 0.000 5.923 15.820) 16.892 5.725 ( 0.000 -0.000 0.175) 0.175 5.725 ( 0.000 0.000 0.175) 0.175 6.477 ( -0.000 -1.938 -17.638) 17.745 6.477 ( -0.000 1.938 -17.638) 17.745 6.851 ( -0.000 -1.786 -6.274) 6.523 6.851 ( -0.000 1.786 -6.274) 6.523 9.530 ( 0.000 -0.779 0.763) 1.091 9.530 ( 0.000 0.779 0.763) 1.091 10.641 ( 0.000 -2.516 1.371) 2.865 10.641 ( 0.000 2.516 1.371) 2.865 11.515 ( 0.000 -6.413 8.619) 10.743 11.515 ( 0.000 6.413 8.619) 10.743 11.845 ( -0.000 -7.309 -10.763) 13.010 11.845 ( -0.000 7.309 -10.763) 13.010 13.348 ( 0.000 -0.021 1.108) 1.108 13.348 ( 0.000 0.021 1.108) 1.108 24.432 ( 0.000 -0.070 0.267) 0.276 24.432 ( 0.000 0.070 0.267) 0.276 24.811 ( -0.000 -1.498 -1.193) 1.915 24.811 ( -0.000 1.498 -1.193) 1.915 25.543 ( 0.000 -0.794 1.772) 1.942 25.543 ( 0.000 0.794 1.772) 1.942 26.253 ( 0.000 -3.515 -1.666) 3.890 26.253 ( -0.000 3.515 -1.666) 3.890 ======================= Grid point 592 (171/171) ======================= q-point: (-1.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.371 ( -11.783 -0.000 0.000) 11.783 2.371 ( 11.783 0.000 -0.000) 11.783 2.650 ( -8.974 -0.000 0.000) 8.974 2.650 ( 8.974 0.000 -0.000) 8.974 2.733 ( -0.689 -0.000 0.000) 0.689 2.733 ( 0.689 0.000 -0.000) 0.689 3.601 ( -24.120 -0.000 0.000) 24.120 3.601 ( 24.120 0.000 -0.000) 24.120 4.036 ( -10.526 -0.000 0.000) 10.526 4.036 ( 10.526 0.000 -0.000) 10.526 4.277 ( -0.593 -0.000 0.000) 0.593 4.277 ( 0.593 0.000 -0.000) 0.593 4.511 ( -10.486 -0.000 0.000) 10.486 4.511 ( 10.486 0.000 -0.000) 10.486 4.744 ( -9.933 -0.000 0.000) 9.933 4.744 ( 9.933 0.000 -0.000) 9.933 5.704 ( -13.941 -0.000 0.000) 13.941 5.704 ( 13.941 0.000 -0.000) 13.941 5.770 ( -9.669 -0.000 0.000) 9.669 5.770 ( 9.669 0.000 -0.000) 9.669 6.292 ( -1.913 -0.000 0.000) 1.913 6.292 ( 1.913 0.000 -0.000) 1.913 6.798 ( -7.436 -0.000 0.000) 7.436 6.798 ( 7.436 0.000 -0.000) 7.436 9.537 ( -2.573 -0.000 0.000) 2.573 9.537 ( 2.573 0.000 -0.000) 2.573 10.653 ( -3.755 -0.000 0.000) 3.755 10.653 ( 3.755 0.000 -0.000) 3.755 11.653 ( -4.137 -0.000 0.000) 4.137 11.653 ( 4.137 0.000 -0.000) 4.137 11.690 ( -1.199 -0.000 0.000) 1.199 11.690 ( 1.199 0.000 -0.000) 1.199 13.357 ( -1.401 -0.000 0.000) 1.401 13.357 ( 1.401 0.000 -0.000) 1.401 24.434 ( -1.918 -0.000 0.000) 1.918 24.434 ( 1.918 0.000 -0.000) 1.918 24.801 ( -1.768 -0.000 0.000) 1.768 24.801 ( 1.768 0.000 -0.000) 1.768 25.558 ( -13.554 -0.000 0.000) 13.554 25.558 ( 13.554 0.000 -0.000) 13.554 26.239 ( -2.862 -0.000 0.000) 2.862 26.239 ( 2.862 0.000 -0.000) 2.862 =================== 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 3/42000 10.0 474.895 604.632 944.650 0.000 -0.000 0.000 3/42000 20.0 114.788 111.247 174.760 0.000 -0.000 0.000 3/42000 30.0 36.769 38.973 58.230 0.000 -0.000 0.000 3/42000 40.0 17.834 19.733 28.888 0.000 -0.000 0.000 3/42000 50.0 11.079 12.423 18.001 0.000 -0.000 0.000 3/42000 60.0 7.936 8.898 12.817 0.000 -0.000 0.000 3/42000 70.0 6.185 6.902 9.906 0.000 -0.000 0.000 3/42000 80.0 5.082 5.638 8.078 0.000 -0.000 0.000 3/42000 90.0 4.326 4.775 6.833 0.000 -0.000 0.000 3/42000 100.0 3.774 4.151 5.933 0.000 -0.000 0.000 3/42000 110.0 3.354 3.680 5.254 0.000 -0.000 0.000 3/42000 120.0 3.023 3.313 4.723 0.000 -0.000 0.000 3/42000 130.0 2.755 3.020 4.296 0.000 -0.000 0.000 3/42000 140.0 2.534 2.780 3.945 0.000 -0.000 0.000 3/42000 150.0 2.348 2.580 3.651 0.000 -0.000 0.000 3/42000 160.0 2.190 2.412 3.400 0.000 -0.000 0.000 3/42000 170.0 2.054 2.269 3.185 0.000 -0.000 0.000 3/42000 180.0 1.935 2.145 2.997 0.000 -0.000 0.000 3/42000 190.0 1.831 2.038 2.832 0.000 -0.000 0.000 3/42000 200.0 1.740 1.944 2.686 0.000 -0.000 0.000 3/42000 210.0 1.658 1.862 2.555 0.000 -0.000 0.000 3/42000 220.0 1.585 1.789 2.438 0.000 -0.000 0.000 3/42000 230.0 1.519 1.723 2.332 0.000 -0.000 0.000 3/42000 240.0 1.460 1.665 2.236 0.000 -0.000 0.000 3/42000 250.0 1.406 1.612 2.148 0.000 -0.000 0.000 3/42000 260.0 1.357 1.564 2.067 0.000 -0.000 0.000 3/42000 270.0 1.312 1.520 1.993 0.000 -0.000 0.000 3/42000 280.0 1.270 1.480 1.924 0.000 -0.000 0.000 3/42000 290.0 1.232 1.444 1.861 0.000 -0.000 0.000 3/42000 300.0 1.196 1.410 1.802 0.000 -0.000 0.000 3/42000 310.0 1.163 1.378 1.747 0.000 -0.000 0.000 3/42000 320.0 1.132 1.348 1.695 0.000 -0.000 0.000 3/42000 330.0 1.103 1.321 1.647 0.000 -0.000 0.000 3/42000 340.0 1.076 1.295 1.601 0.000 -0.000 0.000 3/42000 350.0 1.050 1.270 1.559 0.000 -0.000 0.000 3/42000 360.0 1.026 1.247 1.518 0.000 -0.000 0.000 3/42000 370.0 1.003 1.225 1.480 0.000 -0.000 0.000 3/42000 380.0 0.981 1.204 1.444 0.000 -0.000 0.000 3/42000 390.0 0.961 1.184 1.410 0.000 -0.000 0.000 3/42000 400.0 0.941 1.165 1.377 0.000 -0.000 0.000 3/42000 410.0 0.922 1.147 1.346 0.000 -0.000 0.000 3/42000 420.0 0.904 1.129 1.316 0.000 -0.000 0.000 3/42000 430.0 0.887 1.112 1.288 0.000 -0.000 0.000 3/42000 440.0 0.871 1.096 1.261 0.000 -0.000 0.000 3/42000 450.0 0.855 1.080 1.235 0.000 -0.000 0.000 3/42000 460.0 0.840 1.065 1.211 0.000 -0.000 0.000 3/42000 470.0 0.826 1.050 1.187 0.000 -0.000 0.000 3/42000 480.0 0.812 1.036 1.164 0.000 -0.000 0.000 3/42000 490.0 0.799 1.022 1.142 0.000 -0.000 0.000 3/42000 500.0 0.786 1.009 1.121 0.000 -0.000 0.000 3/42000 510.0 0.773 0.996 1.101 0.000 -0.000 0.000 3/42000 520.0 0.761 0.983 1.082 0.000 -0.000 0.000 3/42000 530.0 0.750 0.971 1.063 0.000 -0.000 0.000 3/42000 540.0 0.738 0.959 1.045 0.000 -0.000 0.000 3/42000 550.0 0.727 0.947 1.027 0.000 -0.000 0.000 3/42000 560.0 0.717 0.935 1.010 0.000 -0.000 0.000 3/42000 570.0 0.707 0.924 0.994 0.000 -0.000 0.000 3/42000 580.0 0.697 0.913 0.978 0.000 -0.000 0.000 3/42000 590.0 0.687 0.903 0.963 0.000 -0.000 0.000 3/42000 600.0 0.678 0.892 0.948 0.000 -0.000 0.000 3/42000 610.0 0.668 0.882 0.934 0.000 -0.000 0.000 3/42000 620.0 0.660 0.872 0.920 0.000 -0.000 0.000 3/42000 630.0 0.651 0.863 0.906 0.000 -0.000 0.000 3/42000 640.0 0.643 0.853 0.893 0.000 -0.000 0.000 3/42000 650.0 0.634 0.844 0.881 0.000 -0.000 0.000 3/42000 660.0 0.626 0.835 0.868 0.000 -0.000 0.000 3/42000 670.0 0.619 0.826 0.856 0.000 -0.000 0.000 3/42000 680.0 0.611 0.817 0.845 0.000 -0.000 0.000 3/42000 690.0 0.604 0.809 0.833 0.000 -0.000 0.000 3/42000 700.0 0.597 0.800 0.822 0.000 -0.000 0.000 3/42000 710.0 0.590 0.792 0.811 0.000 -0.000 0.000 3/42000 720.0 0.583 0.784 0.801 0.000 -0.000 0.000 3/42000 730.0 0.576 0.776 0.791 0.000 -0.000 0.000 3/42000 740.0 0.570 0.768 0.781 0.000 -0.000 0.000 3/42000 750.0 0.563 0.761 0.771 0.000 -0.000 0.000 3/42000 760.0 0.557 0.753 0.762 0.000 -0.000 0.000 3/42000 770.0 0.551 0.746 0.752 0.000 -0.000 0.000 3/42000 780.0 0.545 0.739 0.743 0.000 -0.000 0.000 3/42000 790.0 0.539 0.732 0.735 0.000 -0.000 0.000 3/42000 800.0 0.533 0.725 0.726 0.000 -0.000 0.000 3/42000 810.0 0.528 0.718 0.718 0.000 -0.000 0.000 3/42000 820.0 0.522 0.712 0.709 0.000 -0.000 0.000 3/42000 830.0 0.517 0.705 0.701 0.000 -0.000 0.000 3/42000 840.0 0.512 0.699 0.694 0.000 -0.000 0.000 3/42000 850.0 0.507 0.692 0.686 0.000 -0.000 0.000 3/42000 860.0 0.502 0.686 0.679 0.000 -0.000 0.000 3/42000 870.0 0.497 0.680 0.671 0.000 -0.000 0.000 3/42000 880.0 0.492 0.674 0.664 0.000 -0.000 0.000 3/42000 890.0 0.487 0.668 0.657 0.000 -0.000 0.000 3/42000 900.0 0.482 0.662 0.650 0.000 -0.000 0.000 3/42000 910.0 0.478 0.657 0.643 0.000 -0.000 0.000 3/42000 920.0 0.473 0.651 0.637 0.000 -0.000 0.000 3/42000 930.0 0.469 0.645 0.630 0.000 -0.000 0.000 3/42000 940.0 0.465 0.640 0.624 0.000 -0.000 0.000 3/42000 950.0 0.460 0.635 0.618 0.000 -0.000 0.000 3/42000 960.0 0.456 0.629 0.612 0.000 -0.000 0.000 3/42000 970.0 0.452 0.624 0.606 0.000 -0.000 0.000 3/42000 980.0 0.448 0.619 0.600 0.000 -0.000 0.000 3/42000 990.0 0.444 0.614 0.594 0.000 -0.000 0.000 3/42000 1000.0 0.440 0.609 0.589 0.000 -0.000 0.000 3/42000 Thermal conductivity related properties were written into "kappa-m101010.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:45:45]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|