----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 20:07:48]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R3c (161) Number of symmetry operations in supercell: 72 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.876874954573663 1.660964529447993 5.023926593333328 b -2.876874954573657 1.660964529447993 5.023926593333328 c 0.000000000000003 -3.321929058895992 5.023926593333328 Atomic positions (fractional): *1 F 0.29483721029389 0.61528310243414 0.88596644874288 18.998 2 F 0.88596644874288 0.29483721029389 0.61528310243414 18.998 3 F 0.61528310243414 0.88596644874288 0.29483721029389 18.998 4 F 0.38596644874288 0.11528310243414 0.79483721029389 18.998 5 F 0.11528310243414 0.79483721029389 0.38596644874288 18.998 6 F 0.79483721029389 0.38596644874288 0.11528310243414 18.998 *7 Na 0.70972681648769 0.70972681648769 0.70972681648769 22.990 8 Na 0.20972681648769 0.20972681648769 0.20972681648769 22.990 *9 Cd 0.99818643870804 0.99818643870804 0.99818643870804 112.411 10 Cd 0.49818643870804 0.49818643870804 0.49818643870804 112.411 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.753749909147320 0.000000000000000 0.000000000000000 b -2.876874954573660 4.982893588343985 0.000000000000000 c 0.000000000000000 0.000000000000000 15.071779780000000 Atomic positions (fractional): *1 F 0.36280828980359 0.04606247174742 0.93202892049030 18.998 > 1 2 F 0.95393752825258 0.31674581805617 0.93202892049030 18.998 > 2 3 F 0.68325418194383 0.63719171019641 0.93202892049030 18.998 > 3 4 F 0.62060419491925 0.97052504352975 0.76536225382364 18.998 > 4 5 F 0.34992084861050 0.37939580508075 0.76536225382364 18.998 > 5 6 F 0.02947495647026 0.65007915138950 0.76536225382364 18.998 > 6 7 F 0.02947495647026 0.37939580508075 0.26536225382364 18.998 > 1 8 F 0.62060419491925 0.65007915138950 0.26536225382364 18.998 > 2 9 F 0.34992084861050 0.97052504352975 0.26536225382364 18.998 > 3 10 F 0.28727086158591 0.30385837686308 0.09869558715697 18.998 > 4 11 F 0.01658751527717 0.71272913841409 0.09869558715697 18.998 > 5 12 F 0.69614162313692 0.98341248472283 0.09869558715697 18.998 > 6 13 F 0.69614162313692 0.71272913841409 0.59869558715697 18.998 > 1 14 F 0.28727086158591 0.98341248472283 0.59869558715697 18.998 > 2 15 F 0.01658751527717 0.30385837686308 0.59869558715697 18.998 > 3 16 F 0.95393752825258 0.63719171019641 0.43202892049030 18.998 > 4 17 F 0.68325418194383 0.04606247174742 0.43202892049030 18.998 > 5 18 F 0.36280828980359 0.31674581805617 0.43202892049030 18.998 > 6 *19 Na 0.00000000000000 0.00000000000000 0.70972681648769 22.990 > 7 20 Na 0.33333333333333 0.66666666666667 0.87639348315436 22.990 > 8 21 Na 0.66666666666667 0.33333333333333 0.04306014982102 22.990 > 7 22 Na 0.00000000000000 0.00000000000000 0.20972681648769 22.990 > 8 23 Na 0.33333333333333 0.66666666666667 0.37639348315436 22.990 > 7 24 Na 0.66666666666667 0.33333333333333 0.54306014982103 22.990 > 8 *25 Cd 0.00000000000000 0.00000000000000 0.99818643870804 112.411 > 9 26 Cd 0.66666666666667 0.33333333333333 0.83151977204137 112.411 > 10 27 Cd 0.66666666666667 0.33333333333333 0.33151977204137 112.411 > 9 28 Cd 0.33333333333333 0.66666666666667 0.16485310537470 112.411 > 10 29 Cd 0.33333333333333 0.66666666666667 0.66485310537470 112.411 > 9 30 Cd 0.00000000000000 0.00000000000000 0.49818643870804 112.411 > 10 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.507499818294640 0.000000000000000 0.000000000000000 b -5.753749909147320 9.965787176687970 0.000000000000000 c 0.000000000000000 0.000000000000000 15.071779780000000 Atomic positions (fractional): *1 F 0.18140414490179 0.02303123587371 0.93202892049030 18.998 > 1 2 F 0.68140414490179 0.02303123587371 0.93202892049030 18.998 > 1 3 F 0.18140414490179 0.52303123587371 0.93202892049030 18.998 > 1 4 F 0.68140414490179 0.52303123587371 0.93202892049030 18.998 > 1 5 F 0.47696876412629 0.15837290902808 0.93202892049030 18.998 > 2 6 F 0.97696876412629 0.15837290902808 0.93202892049030 18.998 > 2 7 F 0.47696876412629 0.65837290902808 0.93202892049030 18.998 > 2 8 F 0.97696876412629 0.65837290902808 0.93202892049030 18.998 > 2 9 F 0.34162709097192 0.31859585509821 0.93202892049030 18.998 > 3 10 F 0.84162709097192 0.31859585509821 0.93202892049030 18.998 > 3 11 F 0.34162709097192 0.81859585509821 0.93202892049030 18.998 > 3 12 F 0.84162709097192 0.81859585509821 0.93202892049030 18.998 > 3 13 F 0.31030209745962 0.48526252176487 0.76536225382364 18.998 > 4 14 F 0.81030209745962 0.48526252176487 0.76536225382364 18.998 > 4 15 F 0.31030209745962 0.98526252176487 0.76536225382364 18.998 > 4 16 F 0.81030209745962 0.98526252176487 0.76536225382364 18.998 > 4 17 F 0.17496042430525 0.18969790254038 0.76536225382364 18.998 > 5 18 F 0.67496042430525 0.18969790254038 0.76536225382364 18.998 > 5 19 F 0.17496042430525 0.68969790254038 0.76536225382364 18.998 > 5 20 F 0.67496042430525 0.68969790254038 0.76536225382364 18.998 > 5 21 F 0.01473747823513 0.32503957569475 0.76536225382364 18.998 > 6 22 F 0.51473747823513 0.32503957569475 0.76536225382364 18.998 > 6 23 F 0.01473747823513 0.82503957569475 0.76536225382364 18.998 > 6 24 F 0.51473747823513 0.82503957569475 0.76536225382364 18.998 > 6 25 F 0.01473747823513 0.18969790254038 0.26536225382364 18.998 > 1 26 F 0.51473747823513 0.18969790254038 0.26536225382364 18.998 > 1 27 F 0.01473747823513 0.68969790254038 0.26536225382364 18.998 > 1 28 F 0.51473747823513 0.68969790254038 0.26536225382364 18.998 > 1 29 F 0.31030209745962 0.32503957569475 0.26536225382364 18.998 > 2 30 F 0.81030209745962 0.32503957569475 0.26536225382364 18.998 > 2 31 F 0.31030209745962 0.82503957569475 0.26536225382364 18.998 > 2 32 F 0.81030209745962 0.82503957569475 0.26536225382364 18.998 > 2 33 F 0.17496042430525 0.48526252176487 0.26536225382364 18.998 > 3 34 F 0.67496042430525 0.48526252176487 0.26536225382364 18.998 > 3 35 F 0.17496042430525 0.98526252176487 0.26536225382364 18.998 > 3 36 F 0.67496042430525 0.98526252176487 0.26536225382364 18.998 > 3 37 F 0.14363543079296 0.15192918843154 0.09869558715697 18.998 > 4 38 F 0.64363543079296 0.15192918843154 0.09869558715697 18.998 > 4 39 F 0.14363543079296 0.65192918843154 0.09869558715697 18.998 > 4 40 F 0.64363543079296 0.65192918843154 0.09869558715697 18.998 > 4 41 F 0.00829375763858 0.35636456920704 0.09869558715697 18.998 > 5 42 F 0.50829375763858 0.35636456920704 0.09869558715697 18.998 > 5 43 F 0.00829375763858 0.85636456920704 0.09869558715697 18.998 > 5 44 F 0.50829375763858 0.85636456920704 0.09869558715697 18.998 > 5 45 F 0.34807081156846 0.49170624236142 0.09869558715697 18.998 > 6 46 F 0.84807081156846 0.49170624236142 0.09869558715697 18.998 > 6 47 F 0.34807081156846 0.99170624236142 0.09869558715697 18.998 > 6 48 F 0.84807081156846 0.99170624236142 0.09869558715697 18.998 > 6 49 F 0.34807081156846 0.35636456920704 0.59869558715697 18.998 > 1 50 F 0.84807081156846 0.35636456920704 0.59869558715697 18.998 > 1 51 F 0.34807081156846 0.85636456920704 0.59869558715697 18.998 > 1 52 F 0.84807081156846 0.85636456920704 0.59869558715697 18.998 > 1 53 F 0.14363543079296 0.49170624236142 0.59869558715697 18.998 > 2 54 F 0.64363543079296 0.49170624236142 0.59869558715697 18.998 > 2 55 F 0.14363543079296 0.99170624236142 0.59869558715697 18.998 > 2 56 F 0.64363543079296 0.99170624236142 0.59869558715697 18.998 > 2 57 F 0.00829375763858 0.15192918843154 0.59869558715697 18.998 > 3 58 F 0.50829375763858 0.15192918843154 0.59869558715697 18.998 > 3 59 F 0.00829375763858 0.65192918843154 0.59869558715697 18.998 > 3 60 F 0.50829375763858 0.65192918843154 0.59869558715697 18.998 > 3 61 F 0.47696876412629 0.31859585509821 0.43202892049030 18.998 > 4 62 F 0.97696876412629 0.31859585509821 0.43202892049030 18.998 > 4 63 F 0.47696876412629 0.81859585509821 0.43202892049030 18.998 > 4 64 F 0.97696876412629 0.81859585509821 0.43202892049030 18.998 > 4 65 F 0.34162709097192 0.02303123587371 0.43202892049030 18.998 > 5 66 F 0.84162709097192 0.02303123587371 0.43202892049030 18.998 > 5 67 F 0.34162709097192 0.52303123587371 0.43202892049030 18.998 > 5 68 F 0.84162709097192 0.52303123587371 0.43202892049030 18.998 > 5 69 F 0.18140414490179 0.15837290902808 0.43202892049030 18.998 > 6 70 F 0.68140414490179 0.15837290902808 0.43202892049030 18.998 > 6 71 F 0.18140414490179 0.65837290902808 0.43202892049030 18.998 > 6 72 F 0.68140414490179 0.65837290902808 0.43202892049030 18.998 > 6 *73 Na 0.00000000000000 0.00000000000000 0.70972681648769 22.990 > 7 74 Na 0.50000000000000 0.00000000000000 0.70972681648769 22.990 > 7 75 Na 0.00000000000000 0.50000000000000 0.70972681648769 22.990 > 7 76 Na 0.50000000000000 0.50000000000000 0.70972681648769 22.990 > 7 77 Na 0.16666666666667 0.33333333333333 0.87639348315436 22.990 > 8 78 Na 0.66666666666667 0.33333333333333 0.87639348315436 22.990 > 8 79 Na 0.16666666666667 0.83333333333333 0.87639348315436 22.990 > 8 80 Na 0.66666666666667 0.83333333333333 0.87639348315436 22.990 > 8 81 Na 0.33333333333333 0.16666666666667 0.04306014982102 22.990 > 7 82 Na 0.83333333333333 0.16666666666667 0.04306014982102 22.990 > 7 83 Na 0.33333333333333 0.66666666666667 0.04306014982102 22.990 > 7 84 Na 0.83333333333333 0.66666666666667 0.04306014982102 22.990 > 7 85 Na 0.00000000000000 0.00000000000000 0.20972681648769 22.990 > 8 86 Na 0.50000000000000 0.00000000000000 0.20972681648769 22.990 > 8 87 Na 0.00000000000000 0.50000000000000 0.20972681648769 22.990 > 8 88 Na 0.50000000000000 0.50000000000000 0.20972681648769 22.990 > 8 89 Na 0.16666666666667 0.33333333333333 0.37639348315436 22.990 > 7 90 Na 0.66666666666667 0.33333333333333 0.37639348315436 22.990 > 7 91 Na 0.16666666666667 0.83333333333333 0.37639348315436 22.990 > 7 92 Na 0.66666666666667 0.83333333333333 0.37639348315436 22.990 > 7 93 Na 0.33333333333333 0.16666666666667 0.54306014982103 22.990 > 8 94 Na 0.83333333333333 0.16666666666667 0.54306014982103 22.990 > 8 95 Na 0.33333333333333 0.66666666666667 0.54306014982103 22.990 > 8 96 Na 0.83333333333333 0.66666666666667 0.54306014982103 22.990 > 8 *97 Cd 0.00000000000000 0.00000000000000 0.99818643870804 112.411 > 9 98 Cd 0.50000000000000 0.00000000000000 0.99818643870804 112.411 > 9 99 Cd 0.00000000000000 0.50000000000000 0.99818643870804 112.411 > 9 100 Cd 0.50000000000000 0.50000000000000 0.99818643870804 112.411 > 9 101 Cd 0.33333333333333 0.16666666666667 0.83151977204137 112.411 > 10 102 Cd 0.83333333333333 0.16666666666667 0.83151977204137 112.411 > 10 103 Cd 0.33333333333333 0.66666666666667 0.83151977204137 112.411 > 10 104 Cd 0.83333333333333 0.66666666666667 0.83151977204137 112.411 > 10 105 Cd 0.33333333333333 0.16666666666667 0.33151977204137 112.411 > 9 106 Cd 0.83333333333333 0.16666666666667 0.33151977204137 112.411 > 9 107 Cd 0.33333333333333 0.66666666666667 0.33151977204137 112.411 > 9 108 Cd 0.83333333333333 0.66666666666667 0.33151977204137 112.411 > 9 109 Cd 0.16666666666667 0.33333333333333 0.16485310537470 112.411 > 10 110 Cd 0.66666666666667 0.33333333333333 0.16485310537470 112.411 > 10 111 Cd 0.16666666666667 0.83333333333333 0.16485310537470 112.411 > 10 112 Cd 0.66666666666667 0.83333333333333 0.16485310537470 112.411 > 10 113 Cd 0.16666666666667 0.33333333333333 0.66485310537470 112.411 > 9 114 Cd 0.66666666666667 0.33333333333333 0.66485310537470 112.411 > 9 115 Cd 0.16666666666667 0.83333333333333 0.66485310537470 112.411 > 9 116 Cd 0.66666666666667 0.83333333333333 0.66485310537470 112.411 > 9 117 Cd 0.00000000000000 0.00000000000000 0.49818643870804 112.411 > 10 118 Cd 0.50000000000000 0.00000000000000 0.49818643870804 112.411 > 10 119 Cd 0.00000000000000 0.50000000000000 0.49818643870804 112.411 > 10 120 Cd 0.50000000000000 0.50000000000000 0.49818643870804 112.411 > 10 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.3283065 0.0000000 0.0000000 0.0000000 2.3283065 0.0000000 0.0000000 0.0000000 2.3251606 -------------------------- Born effective charges -------------------------- 1 F -1.2276262 -0.1721516 0.3256270 -0.1588707 -1.0005880 0.1559259 0.3504399 0.1530805 -1.1046316 2 F -1.2006844 0.1744256 -0.2978493 0.1877065 -1.0275298 0.2040384 -0.3077915 0.2269496 -1.1046316 3 F -0.9140107 -0.0221953 -0.0277778 -0.0089144 -1.3142035 -0.3599642 -0.0426484 -0.3800301 -1.1046316 4 F -0.9140107 0.0221953 0.0277778 0.0089144 -1.3142035 -0.3599642 0.0426484 -0.3800301 -1.1046316 5 F -1.2276262 0.1721516 -0.3256270 0.1588707 -1.0005880 0.1559259 -0.3504399 0.1530805 -1.1046316 6 F -1.2006844 -0.1744256 0.2978493 -0.1877065 -1.0275298 0.2040384 0.3077915 0.2269496 -1.1046316 7 Na 1.0629981 0.0387382 0.0000000 -0.0387382 1.0629981 0.0000000 -0.0000000 -0.0000000 1.0308334 8 Na 1.0629981 -0.0387382 0.0000000 0.0387382 1.0629981 0.0000000 -0.0000000 -0.0000000 1.0308334 9 Cd 2.2793232 -0.1675362 0.0000000 0.1675363 2.2793232 0.0000000 -0.0000000 -0.0000000 2.2830616 10 Cd 2.2793232 0.1675362 0.0000000 -0.1675363 2.2793232 0.0000000 -0.0000000 -0.0000000 2.2830616 ---------------------------------------------------------------------------- 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: 360/360 Permutation basis: 7104/7104 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 925 Number of blocks in projector: 450 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 424 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 117 Use standard eigh solver. Tree of FC basis block matrices: - (925, 910), data: False |-- (117, 114), data: True |-- (384, 380), data: True |-- (424, 416), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.012 Solver_block: 100 / 240 - Time: 1.065 Solver_block: 200 / 240 - Time: 1.047 Solver_block: 240 / 240 - Time: 0.476 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.614 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 360/360 Permutation basis: 7104/7104 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 925 Number of blocks in projector: 450 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 424 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 117 Use standard eigh solver. Tree of FC basis block matrices: - (925, 910), data: False |-- (117, 114), data: True |-- (384, 380), data: True |-- (424, 416), 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 20:08:02]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:08:03]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R3c (161) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.876874954573663 1.660964529447993 5.023926593333328 b -2.876874954573657 1.660964529447993 5.023926593333328 c 0.000000000000003 -3.321929058895992 5.023926593333328 Atomic positions (fractional): 1 F 0.29483721029389 0.61528310243414 0.88596644874288 18.998 2 F 0.88596644874288 0.29483721029389 0.61528310243414 18.998 3 F 0.61528310243414 0.88596644874288 0.29483721029389 18.998 4 F 0.38596644874288 0.11528310243414 0.79483721029389 18.998 5 F 0.11528310243414 0.79483721029389 0.38596644874288 18.998 6 F 0.79483721029389 0.38596644874288 0.11528310243414 18.998 7 Na 0.70972681648769 0.70972681648769 0.70972681648769 22.990 8 Na 0.20972681648769 0.20972681648769 0.20972681648769 22.990 9 Cd 0.99818643870804 0.99818643870804 0.99818643870804 112.411 10 Cd 0.49818643870804 0.49818643870804 0.49818643870804 112.411 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.507499818294640 0.000000000000000 0.000000000000000 b -5.753749909147320 9.965787176687970 0.000000000000000 c 0.000000000000000 0.000000000000000 15.071779780000000 Atomic positions (fractional): 1 F 0.18140414490179 0.02303123587371 0.93202892049030 18.998 > 1 2 F 0.68140414490179 0.02303123587371 0.93202892049030 18.998 > 1 3 F 0.18140414490179 0.52303123587371 0.93202892049030 18.998 > 1 4 F 0.68140414490179 0.52303123587371 0.93202892049030 18.998 > 1 5 F 0.47696876412629 0.15837290902808 0.93202892049030 18.998 > 5 6 F 0.97696876412629 0.15837290902808 0.93202892049030 18.998 > 5 7 F 0.47696876412629 0.65837290902808 0.93202892049030 18.998 > 5 8 F 0.97696876412629 0.65837290902808 0.93202892049030 18.998 > 5 9 F 0.34162709097192 0.31859585509821 0.93202892049030 18.998 > 9 10 F 0.84162709097192 0.31859585509821 0.93202892049030 18.998 > 9 11 F 0.34162709097192 0.81859585509821 0.93202892049030 18.998 > 9 12 F 0.84162709097192 0.81859585509821 0.93202892049030 18.998 > 9 13 F 0.31030209745962 0.48526252176487 0.76536225382364 18.998 > 13 14 F 0.81030209745962 0.48526252176487 0.76536225382364 18.998 > 13 15 F 0.31030209745962 0.98526252176487 0.76536225382364 18.998 > 13 16 F 0.81030209745962 0.98526252176487 0.76536225382364 18.998 > 13 17 F 0.17496042430525 0.18969790254038 0.76536225382364 18.998 > 17 18 F 0.67496042430525 0.18969790254038 0.76536225382364 18.998 > 17 19 F 0.17496042430525 0.68969790254038 0.76536225382364 18.998 > 17 20 F 0.67496042430525 0.68969790254038 0.76536225382364 18.998 > 17 21 F 0.01473747823513 0.32503957569475 0.76536225382364 18.998 > 21 22 F 0.51473747823513 0.32503957569475 0.76536225382364 18.998 > 21 23 F 0.01473747823513 0.82503957569475 0.76536225382364 18.998 > 21 24 F 0.51473747823513 0.82503957569475 0.76536225382364 18.998 > 21 25 F 0.01473747823513 0.18969790254038 0.26536225382364 18.998 > 1 26 F 0.51473747823513 0.18969790254038 0.26536225382364 18.998 > 1 27 F 0.01473747823513 0.68969790254038 0.26536225382364 18.998 > 1 28 F 0.51473747823513 0.68969790254038 0.26536225382364 18.998 > 1 29 F 0.31030209745962 0.32503957569475 0.26536225382364 18.998 > 5 30 F 0.81030209745962 0.32503957569475 0.26536225382364 18.998 > 5 31 F 0.31030209745962 0.82503957569475 0.26536225382364 18.998 > 5 32 F 0.81030209745962 0.82503957569475 0.26536225382364 18.998 > 5 33 F 0.17496042430525 0.48526252176487 0.26536225382364 18.998 > 9 34 F 0.67496042430525 0.48526252176487 0.26536225382364 18.998 > 9 35 F 0.17496042430525 0.98526252176487 0.26536225382364 18.998 > 9 36 F 0.67496042430525 0.98526252176487 0.26536225382364 18.998 > 9 37 F 0.14363543079296 0.15192918843154 0.09869558715697 18.998 > 13 38 F 0.64363543079296 0.15192918843154 0.09869558715697 18.998 > 13 39 F 0.14363543079296 0.65192918843154 0.09869558715697 18.998 > 13 40 F 0.64363543079296 0.65192918843154 0.09869558715697 18.998 > 13 41 F 0.00829375763858 0.35636456920704 0.09869558715697 18.998 > 17 42 F 0.50829375763858 0.35636456920704 0.09869558715697 18.998 > 17 43 F 0.00829375763858 0.85636456920704 0.09869558715697 18.998 > 17 44 F 0.50829375763858 0.85636456920704 0.09869558715697 18.998 > 17 45 F 0.34807081156846 0.49170624236142 0.09869558715697 18.998 > 21 46 F 0.84807081156846 0.49170624236142 0.09869558715697 18.998 > 21 47 F 0.34807081156846 0.99170624236142 0.09869558715697 18.998 > 21 48 F 0.84807081156846 0.99170624236142 0.09869558715697 18.998 > 21 49 F 0.34807081156846 0.35636456920704 0.59869558715697 18.998 > 1 50 F 0.84807081156846 0.35636456920704 0.59869558715697 18.998 > 1 51 F 0.34807081156846 0.85636456920704 0.59869558715697 18.998 > 1 52 F 0.84807081156846 0.85636456920704 0.59869558715697 18.998 > 1 53 F 0.14363543079296 0.49170624236142 0.59869558715697 18.998 > 5 54 F 0.64363543079296 0.49170624236142 0.59869558715697 18.998 > 5 55 F 0.14363543079296 0.99170624236142 0.59869558715697 18.998 > 5 56 F 0.64363543079296 0.99170624236142 0.59869558715697 18.998 > 5 57 F 0.00829375763858 0.15192918843154 0.59869558715697 18.998 > 9 58 F 0.50829375763858 0.15192918843154 0.59869558715697 18.998 > 9 59 F 0.00829375763858 0.65192918843154 0.59869558715697 18.998 > 9 60 F 0.50829375763858 0.65192918843154 0.59869558715697 18.998 > 9 61 F 0.47696876412629 0.31859585509821 0.43202892049030 18.998 > 13 62 F 0.97696876412629 0.31859585509821 0.43202892049030 18.998 > 13 63 F 0.47696876412629 0.81859585509821 0.43202892049030 18.998 > 13 64 F 0.97696876412629 0.81859585509821 0.43202892049030 18.998 > 13 65 F 0.34162709097192 0.02303123587371 0.43202892049030 18.998 > 17 66 F 0.84162709097192 0.02303123587371 0.43202892049030 18.998 > 17 67 F 0.34162709097192 0.52303123587371 0.43202892049030 18.998 > 17 68 F 0.84162709097192 0.52303123587371 0.43202892049030 18.998 > 17 69 F 0.18140414490179 0.15837290902808 0.43202892049030 18.998 > 21 70 F 0.68140414490179 0.15837290902808 0.43202892049030 18.998 > 21 71 F 0.18140414490179 0.65837290902808 0.43202892049030 18.998 > 21 72 F 0.68140414490179 0.65837290902808 0.43202892049030 18.998 > 21 73 Na 0.00000000000000 0.00000000000000 0.70972681648769 22.990 > 73 74 Na 0.50000000000000 0.00000000000000 0.70972681648769 22.990 > 73 75 Na 0.00000000000000 0.50000000000000 0.70972681648769 22.990 > 73 76 Na 0.50000000000000 0.50000000000000 0.70972681648769 22.990 > 73 77 Na 0.16666666666667 0.33333333333333 0.87639348315436 22.990 > 77 78 Na 0.66666666666667 0.33333333333333 0.87639348315436 22.990 > 77 79 Na 0.16666666666667 0.83333333333333 0.87639348315436 22.990 > 77 80 Na 0.66666666666667 0.83333333333333 0.87639348315436 22.990 > 77 81 Na 0.33333333333333 0.16666666666667 0.04306014982102 22.990 > 73 82 Na 0.83333333333333 0.16666666666667 0.04306014982102 22.990 > 73 83 Na 0.33333333333333 0.66666666666667 0.04306014982102 22.990 > 73 84 Na 0.83333333333333 0.66666666666667 0.04306014982102 22.990 > 73 85 Na 0.00000000000000 0.00000000000000 0.20972681648769 22.990 > 77 86 Na 0.50000000000000 0.00000000000000 0.20972681648769 22.990 > 77 87 Na 0.00000000000000 0.50000000000000 0.20972681648769 22.990 > 77 88 Na 0.50000000000000 0.50000000000000 0.20972681648769 22.990 > 77 89 Na 0.16666666666667 0.33333333333333 0.37639348315436 22.990 > 73 90 Na 0.66666666666667 0.33333333333333 0.37639348315436 22.990 > 73 91 Na 0.16666666666667 0.83333333333333 0.37639348315436 22.990 > 73 92 Na 0.66666666666667 0.83333333333333 0.37639348315436 22.990 > 73 93 Na 0.33333333333333 0.16666666666667 0.54306014982103 22.990 > 77 94 Na 0.83333333333333 0.16666666666667 0.54306014982103 22.990 > 77 95 Na 0.33333333333333 0.66666666666667 0.54306014982103 22.990 > 77 96 Na 0.83333333333333 0.66666666666667 0.54306014982103 22.990 > 77 97 Cd 0.00000000000000 0.00000000000000 0.99818643870804 112.411 > 97 98 Cd 0.50000000000000 0.00000000000000 0.99818643870804 112.411 > 97 99 Cd 0.00000000000000 0.50000000000000 0.99818643870804 112.411 > 97 100 Cd 0.50000000000000 0.50000000000000 0.99818643870804 112.411 > 97 101 Cd 0.33333333333333 0.16666666666667 0.83151977204137 112.411 > 101 102 Cd 0.83333333333333 0.16666666666667 0.83151977204137 112.411 > 101 103 Cd 0.33333333333333 0.66666666666667 0.83151977204137 112.411 > 101 104 Cd 0.83333333333333 0.66666666666667 0.83151977204137 112.411 > 101 105 Cd 0.33333333333333 0.16666666666667 0.33151977204137 112.411 > 97 106 Cd 0.83333333333333 0.16666666666667 0.33151977204137 112.411 > 97 107 Cd 0.33333333333333 0.66666666666667 0.33151977204137 112.411 > 97 108 Cd 0.83333333333333 0.66666666666667 0.33151977204137 112.411 > 97 109 Cd 0.16666666666667 0.33333333333333 0.16485310537470 112.411 > 101 110 Cd 0.66666666666667 0.33333333333333 0.16485310537470 112.411 > 101 111 Cd 0.16666666666667 0.83333333333333 0.16485310537470 112.411 > 101 112 Cd 0.66666666666667 0.83333333333333 0.16485310537470 112.411 > 101 113 Cd 0.16666666666667 0.33333333333333 0.66485310537470 112.411 > 97 114 Cd 0.66666666666667 0.33333333333333 0.66485310537470 112.411 > 97 115 Cd 0.16666666666667 0.83333333333333 0.66485310537470 112.411 > 97 116 Cd 0.66666666666667 0.83333333333333 0.66485310537470 112.411 > 97 117 Cd 0.00000000000000 0.00000000000000 0.49818643870804 112.411 > 101 118 Cd 0.50000000000000 0.00000000000000 0.49818643870804 112.411 > 101 119 Cd 0.00000000000000 0.50000000000000 0.49818643870804 112.411 > 101 120 Cd 0.50000000000000 0.50000000000000 0.49818643870804 112.411 > 101 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.3283065 0.0000000 0.0000000 0.0000000 2.3283065 0.0000000 0.0000000 0.0000000 2.3251606 -------------------------- Born effective charges -------------------------- 1 F -1.2276262 -0.1721516 0.3256270 -0.1588707 -1.0005880 0.1559259 0.3504399 0.1530805 -1.1046316 2 F -1.2006844 0.1744256 -0.2978493 0.1877065 -1.0275298 0.2040384 -0.3077915 0.2269496 -1.1046316 3 F -0.9140107 -0.0221953 -0.0277778 -0.0089144 -1.3142035 -0.3599642 -0.0426484 -0.3800301 -1.1046316 4 F -0.9140107 0.0221953 0.0277778 0.0089144 -1.3142035 -0.3599642 0.0426484 -0.3800301 -1.1046316 5 F -1.2276262 0.1721516 -0.3256270 0.1588707 -1.0005880 0.1559259 -0.3504399 0.1530805 -1.1046316 6 F -1.2006844 -0.1744256 0.2978493 -0.1877065 -1.0275298 0.2040384 0.3077915 0.2269496 -1.1046316 7 Na 1.0629981 0.0387382 0.0000000 -0.0387382 1.0629981 0.0000000 -0.0000000 -0.0000000 1.0308334 8 Na 1.0629981 -0.0387382 0.0000000 0.0387382 1.0629981 0.0000000 -0.0000000 -0.0000000 1.0308334 9 Cd 2.2793232 -0.1675362 0.0000000 0.1675363 2.2793232 0.0000000 -0.0000000 -0.0000000 2.2830616 10 Cd 2.2793232 0.1675362 0.0000000 -0.1675363 2.2793232 0.0000000 -0.0000000 -0.0000000 2.2830616 ---------------------------------------------------------------------------- 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] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 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 0.0000 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: 0.00000001 (xzx) 0.00000001 (xzx) 0.00000001 (xxz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000002 (xy) 0.00000002 (xy) 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 20:08:13]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:08:14]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R3c (161) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.876874954573663 1.660964529447993 5.023926593333328 b -2.876874954573657 1.660964529447993 5.023926593333328 c 0.000000000000003 -3.321929058895992 5.023926593333328 Atomic positions (fractional): 1 F 0.29483721029389 0.61528310243414 0.88596644874288 18.998 2 F 0.88596644874288 0.29483721029389 0.61528310243414 18.998 3 F 0.61528310243414 0.88596644874288 0.29483721029389 18.998 4 F 0.38596644874288 0.11528310243414 0.79483721029389 18.998 5 F 0.11528310243414 0.79483721029389 0.38596644874288 18.998 6 F 0.79483721029389 0.38596644874288 0.11528310243414 18.998 7 Na 0.70972681648769 0.70972681648769 0.70972681648769 22.990 8 Na 0.20972681648769 0.20972681648769 0.20972681648769 22.990 9 Cd 0.99818643870804 0.99818643870804 0.99818643870804 112.411 10 Cd 0.49818643870804 0.49818643870804 0.49818643870804 112.411 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.507499818294640 0.000000000000000 0.000000000000000 b -5.753749909147320 9.965787176687970 0.000000000000000 c 0.000000000000000 0.000000000000000 15.071779780000000 Atomic positions (fractional): 1 F 0.18140414490179 0.02303123587371 0.93202892049030 18.998 > 1 2 F 0.68140414490179 0.02303123587371 0.93202892049030 18.998 > 1 3 F 0.18140414490179 0.52303123587371 0.93202892049030 18.998 > 1 4 F 0.68140414490179 0.52303123587371 0.93202892049030 18.998 > 1 5 F 0.47696876412629 0.15837290902808 0.93202892049030 18.998 > 5 6 F 0.97696876412629 0.15837290902808 0.93202892049030 18.998 > 5 7 F 0.47696876412629 0.65837290902808 0.93202892049030 18.998 > 5 8 F 0.97696876412629 0.65837290902808 0.93202892049030 18.998 > 5 9 F 0.34162709097192 0.31859585509821 0.93202892049030 18.998 > 9 10 F 0.84162709097192 0.31859585509821 0.93202892049030 18.998 > 9 11 F 0.34162709097192 0.81859585509821 0.93202892049030 18.998 > 9 12 F 0.84162709097192 0.81859585509821 0.93202892049030 18.998 > 9 13 F 0.31030209745962 0.48526252176487 0.76536225382364 18.998 > 13 14 F 0.81030209745962 0.48526252176487 0.76536225382364 18.998 > 13 15 F 0.31030209745962 0.98526252176487 0.76536225382364 18.998 > 13 16 F 0.81030209745962 0.98526252176487 0.76536225382364 18.998 > 13 17 F 0.17496042430525 0.18969790254038 0.76536225382364 18.998 > 17 18 F 0.67496042430525 0.18969790254038 0.76536225382364 18.998 > 17 19 F 0.17496042430525 0.68969790254038 0.76536225382364 18.998 > 17 20 F 0.67496042430525 0.68969790254038 0.76536225382364 18.998 > 17 21 F 0.01473747823513 0.32503957569475 0.76536225382364 18.998 > 21 22 F 0.51473747823513 0.32503957569475 0.76536225382364 18.998 > 21 23 F 0.01473747823513 0.82503957569475 0.76536225382364 18.998 > 21 24 F 0.51473747823513 0.82503957569475 0.76536225382364 18.998 > 21 25 F 0.01473747823513 0.18969790254038 0.26536225382364 18.998 > 1 26 F 0.51473747823513 0.18969790254038 0.26536225382364 18.998 > 1 27 F 0.01473747823513 0.68969790254038 0.26536225382364 18.998 > 1 28 F 0.51473747823513 0.68969790254038 0.26536225382364 18.998 > 1 29 F 0.31030209745962 0.32503957569475 0.26536225382364 18.998 > 5 30 F 0.81030209745962 0.32503957569475 0.26536225382364 18.998 > 5 31 F 0.31030209745962 0.82503957569475 0.26536225382364 18.998 > 5 32 F 0.81030209745962 0.82503957569475 0.26536225382364 18.998 > 5 33 F 0.17496042430525 0.48526252176487 0.26536225382364 18.998 > 9 34 F 0.67496042430525 0.48526252176487 0.26536225382364 18.998 > 9 35 F 0.17496042430525 0.98526252176487 0.26536225382364 18.998 > 9 36 F 0.67496042430525 0.98526252176487 0.26536225382364 18.998 > 9 37 F 0.14363543079296 0.15192918843154 0.09869558715697 18.998 > 13 38 F 0.64363543079296 0.15192918843154 0.09869558715697 18.998 > 13 39 F 0.14363543079296 0.65192918843154 0.09869558715697 18.998 > 13 40 F 0.64363543079296 0.65192918843154 0.09869558715697 18.998 > 13 41 F 0.00829375763858 0.35636456920704 0.09869558715697 18.998 > 17 42 F 0.50829375763858 0.35636456920704 0.09869558715697 18.998 > 17 43 F 0.00829375763858 0.85636456920704 0.09869558715697 18.998 > 17 44 F 0.50829375763858 0.85636456920704 0.09869558715697 18.998 > 17 45 F 0.34807081156846 0.49170624236142 0.09869558715697 18.998 > 21 46 F 0.84807081156846 0.49170624236142 0.09869558715697 18.998 > 21 47 F 0.34807081156846 0.99170624236142 0.09869558715697 18.998 > 21 48 F 0.84807081156846 0.99170624236142 0.09869558715697 18.998 > 21 49 F 0.34807081156846 0.35636456920704 0.59869558715697 18.998 > 1 50 F 0.84807081156846 0.35636456920704 0.59869558715697 18.998 > 1 51 F 0.34807081156846 0.85636456920704 0.59869558715697 18.998 > 1 52 F 0.84807081156846 0.85636456920704 0.59869558715697 18.998 > 1 53 F 0.14363543079296 0.49170624236142 0.59869558715697 18.998 > 5 54 F 0.64363543079296 0.49170624236142 0.59869558715697 18.998 > 5 55 F 0.14363543079296 0.99170624236142 0.59869558715697 18.998 > 5 56 F 0.64363543079296 0.99170624236142 0.59869558715697 18.998 > 5 57 F 0.00829375763858 0.15192918843154 0.59869558715697 18.998 > 9 58 F 0.50829375763858 0.15192918843154 0.59869558715697 18.998 > 9 59 F 0.00829375763858 0.65192918843154 0.59869558715697 18.998 > 9 60 F 0.50829375763858 0.65192918843154 0.59869558715697 18.998 > 9 61 F 0.47696876412629 0.31859585509821 0.43202892049030 18.998 > 13 62 F 0.97696876412629 0.31859585509821 0.43202892049030 18.998 > 13 63 F 0.47696876412629 0.81859585509821 0.43202892049030 18.998 > 13 64 F 0.97696876412629 0.81859585509821 0.43202892049030 18.998 > 13 65 F 0.34162709097192 0.02303123587371 0.43202892049030 18.998 > 17 66 F 0.84162709097192 0.02303123587371 0.43202892049030 18.998 > 17 67 F 0.34162709097192 0.52303123587371 0.43202892049030 18.998 > 17 68 F 0.84162709097192 0.52303123587371 0.43202892049030 18.998 > 17 69 F 0.18140414490179 0.15837290902808 0.43202892049030 18.998 > 21 70 F 0.68140414490179 0.15837290902808 0.43202892049030 18.998 > 21 71 F 0.18140414490179 0.65837290902808 0.43202892049030 18.998 > 21 72 F 0.68140414490179 0.65837290902808 0.43202892049030 18.998 > 21 73 Na 0.00000000000000 0.00000000000000 0.70972681648769 22.990 > 73 74 Na 0.50000000000000 0.00000000000000 0.70972681648769 22.990 > 73 75 Na 0.00000000000000 0.50000000000000 0.70972681648769 22.990 > 73 76 Na 0.50000000000000 0.50000000000000 0.70972681648769 22.990 > 73 77 Na 0.16666666666667 0.33333333333333 0.87639348315436 22.990 > 77 78 Na 0.66666666666667 0.33333333333333 0.87639348315436 22.990 > 77 79 Na 0.16666666666667 0.83333333333333 0.87639348315436 22.990 > 77 80 Na 0.66666666666667 0.83333333333333 0.87639348315436 22.990 > 77 81 Na 0.33333333333333 0.16666666666667 0.04306014982102 22.990 > 73 82 Na 0.83333333333333 0.16666666666667 0.04306014982102 22.990 > 73 83 Na 0.33333333333333 0.66666666666667 0.04306014982102 22.990 > 73 84 Na 0.83333333333333 0.66666666666667 0.04306014982102 22.990 > 73 85 Na 0.00000000000000 0.00000000000000 0.20972681648769 22.990 > 77 86 Na 0.50000000000000 0.00000000000000 0.20972681648769 22.990 > 77 87 Na 0.00000000000000 0.50000000000000 0.20972681648769 22.990 > 77 88 Na 0.50000000000000 0.50000000000000 0.20972681648769 22.990 > 77 89 Na 0.16666666666667 0.33333333333333 0.37639348315436 22.990 > 73 90 Na 0.66666666666667 0.33333333333333 0.37639348315436 22.990 > 73 91 Na 0.16666666666667 0.83333333333333 0.37639348315436 22.990 > 73 92 Na 0.66666666666667 0.83333333333333 0.37639348315436 22.990 > 73 93 Na 0.33333333333333 0.16666666666667 0.54306014982103 22.990 > 77 94 Na 0.83333333333333 0.16666666666667 0.54306014982103 22.990 > 77 95 Na 0.33333333333333 0.66666666666667 0.54306014982103 22.990 > 77 96 Na 0.83333333333333 0.66666666666667 0.54306014982103 22.990 > 77 97 Cd 0.00000000000000 0.00000000000000 0.99818643870804 112.411 > 97 98 Cd 0.50000000000000 0.00000000000000 0.99818643870804 112.411 > 97 99 Cd 0.00000000000000 0.50000000000000 0.99818643870804 112.411 > 97 100 Cd 0.50000000000000 0.50000000000000 0.99818643870804 112.411 > 97 101 Cd 0.33333333333333 0.16666666666667 0.83151977204137 112.411 > 101 102 Cd 0.83333333333333 0.16666666666667 0.83151977204137 112.411 > 101 103 Cd 0.33333333333333 0.66666666666667 0.83151977204137 112.411 > 101 104 Cd 0.83333333333333 0.66666666666667 0.83151977204137 112.411 > 101 105 Cd 0.33333333333333 0.16666666666667 0.33151977204137 112.411 > 97 106 Cd 0.83333333333333 0.16666666666667 0.33151977204137 112.411 > 97 107 Cd 0.33333333333333 0.66666666666667 0.33151977204137 112.411 > 97 108 Cd 0.83333333333333 0.66666666666667 0.33151977204137 112.411 > 97 109 Cd 0.16666666666667 0.33333333333333 0.16485310537470 112.411 > 101 110 Cd 0.66666666666667 0.33333333333333 0.16485310537470 112.411 > 101 111 Cd 0.16666666666667 0.83333333333333 0.16485310537470 112.411 > 101 112 Cd 0.66666666666667 0.83333333333333 0.16485310537470 112.411 > 101 113 Cd 0.16666666666667 0.33333333333333 0.66485310537470 112.411 > 97 114 Cd 0.66666666666667 0.33333333333333 0.66485310537470 112.411 > 97 115 Cd 0.16666666666667 0.83333333333333 0.66485310537470 112.411 > 97 116 Cd 0.66666666666667 0.83333333333333 0.66485310537470 112.411 > 97 117 Cd 0.00000000000000 0.00000000000000 0.49818643870804 112.411 > 101 118 Cd 0.50000000000000 0.00000000000000 0.49818643870804 112.411 > 101 119 Cd 0.00000000000000 0.50000000000000 0.49818643870804 112.411 > 101 120 Cd 0.50000000000000 0.50000000000000 0.49818643870804 112.411 > 101 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.3283065 0.0000000 0.0000000 0.0000000 2.3283065 0.0000000 0.0000000 0.0000000 2.3251606 -------------------------- Born effective charges -------------------------- 1 F -1.2276262 -0.1721516 0.3256270 -0.1588707 -1.0005880 0.1559259 0.3504399 0.1530805 -1.1046316 2 F -1.2006844 0.1744256 -0.2978493 0.1877065 -1.0275298 0.2040384 -0.3077915 0.2269496 -1.1046316 3 F -0.9140107 -0.0221953 -0.0277778 -0.0089144 -1.3142035 -0.3599642 -0.0426484 -0.3800301 -1.1046316 4 F -0.9140107 0.0221953 0.0277778 0.0089144 -1.3142035 -0.3599642 0.0426484 -0.3800301 -1.1046316 5 F -1.2276262 0.1721516 -0.3256270 0.1588707 -1.0005880 0.1559259 -0.3504399 0.1530805 -1.1046316 6 F -1.2006844 -0.1744256 0.2978493 -0.1877065 -1.0275298 0.2040384 0.3077915 0.2269496 -1.1046316 7 Na 1.0629981 0.0387382 0.0000000 -0.0387382 1.0629981 0.0000000 -0.0000000 -0.0000000 1.0308334 8 Na 1.0629981 -0.0387382 0.0000000 0.0387382 1.0629981 0.0000000 -0.0000000 -0.0000000 1.0308334 9 Cd 2.2793232 -0.1675362 0.0000000 0.1675363 2.2793232 0.0000000 -0.0000000 -0.0000000 2.2830616 10 Cd 2.2793232 0.1675362 0.0000000 -0.1675363 2.2793232 0.0000000 -0.0000000 -0.0000000 2.2830616 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (xzx) 0.00000001 (xzx) 0.00000001 (xxz) 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 ... [ 11 11 11 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.79, Number of G-points: 295, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/146) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 146 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 3.519 ( 0.000 0.000 -0.000) 0.000 3.782 ( -0.000 0.000 0.000) 0.000 3.782 ( 0.000 0.000 -0.000) 0.000 4.174 ( -0.000 0.000 -0.000) 0.000 4.174 ( 0.000 0.000 -0.000) 0.000 4.328 ( 0.000 0.000 0.000) 0.000 4.485 ( -0.000 -0.000 0.000) 0.000 4.485 ( 0.000 0.000 -0.000) 0.000 5.258 ( -0.000 0.000 0.000) 0.000 5.426 ( -0.000 0.000 -0.000) 0.000 5.426 ( 0.000 0.000 -0.000) 0.000 5.956 ( 0.000 0.000 0.000) 0.000 6.369 ( -0.000 0.000 0.000) 0.000 6.369 ( 0.000 -0.000 -0.000) 0.000 6.828 ( 0.000 -0.000 -0.000) 0.000 7.167 ( -0.000 -0.000 -0.000) 0.000 7.167 ( 0.000 0.000 -0.000) 0.000 7.455 ( -0.000 0.000 0.000) 0.000 7.817 ( -0.000 0.000 0.000) 0.000 7.817 ( 0.000 0.000 -0.000) 0.000 7.953 ( 0.000 0.000 0.000) 0.000 8.834 ( -0.000 -0.000 -0.000) 0.000 8.834 ( 0.000 0.000 0.000) 0.000 10.717 ( -0.000 0.000 0.000) 0.000 11.317 ( -0.000 0.000 0.000) 0.000 11.317 ( 0.000 -0.000 -0.000) 0.000 13.191 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 1 (2/146) ======================= q-point: ( 0.09 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.402 ( 16.521 9.538 9.689) 21.396 0.429 ( 20.161 11.640 0.541) 23.286 0.841 ( 35.046 20.234 12.812) 42.448 3.337 ( -14.273 -8.240 -2.755) 16.709 3.744 ( -5.316 -3.069 -0.527) 6.161 3.755 ( -1.613 -0.931 -6.613) 6.870 4.137 ( -6.659 -3.844 -1.849) 7.908 4.190 ( 0.089 0.051 2.241) 2.244 4.431 ( 1.982 1.145 0.513) 2.346 4.534 ( 4.033 2.329 1.724) 4.966 4.690 ( 8.251 4.763 -7.480) 12.112 5.263 ( -10.450 -6.033 13.542) 18.138 5.452 ( 0.879 0.507 4.808) 4.914 5.537 ( -0.816 -0.471 20.437) 20.459 5.923 ( -2.374 -1.371 -1.706) 3.229 6.381 ( -0.513 -0.296 4.292) 4.332 6.410 ( 0.463 0.267 -2.082) 2.150 6.805 ( -2.316 -1.337 -0.845) 2.804 7.165 ( 0.633 0.366 -0.594) 0.942 7.373 ( 1.702 0.983 -0.579) 2.049 7.486 ( 0.168 0.097 4.334) 4.338 7.808 ( -0.368 -0.212 -2.066) 2.109 7.991 ( 3.178 1.835 1.082) 3.826 8.333 ( 1.889 1.091 3.439) 4.072 8.892 ( 5.773 3.333 -1.181) 6.770 9.781 ( 9.942 5.740 -32.552) 34.517 10.778 ( -9.752 -5.630 24.385) 26.859 11.278 ( -2.708 -1.563 -3.553) 4.733 13.183 ( -0.618 -0.357 -0.242) 0.754 13.214 ( 1.292 0.746 -6.357) 6.530 ======================= Grid point 2 (3/146) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.815 ( 17.149 9.901 9.276) 21.868 0.854 ( 19.695 11.371 0.929) 22.761 1.599 ( 29.329 16.933 10.223) 35.376 2.958 ( -18.491 -10.676 -4.392) 21.799 3.574 ( -10.606 -6.123 0.288) 12.250 3.624 ( -6.297 -3.636 -8.735) 11.366 4.012 ( -3.980 -2.298 0.429) 4.616 4.194 ( -0.835 -0.482 2.442) 2.625 4.420 ( -2.422 -1.398 -0.272) 2.810 4.650 ( 5.229 3.019 1.851) 6.316 4.852 ( 8.392 4.845 -4.520) 10.692 5.167 ( -1.632 -0.942 2.736) 3.322 5.510 ( 0.617 0.356 8.691) 8.721 5.628 ( 0.876 0.506 9.468) 9.522 5.848 ( -3.120 -1.801 -3.086) 4.743 6.372 ( -4.453 -2.571 7.560) 9.143 6.398 ( 0.305 0.176 -5.058) 5.070 6.707 ( -5.618 -3.243 -3.002) 7.148 7.215 ( 4.261 2.460 0.189) 4.924 7.390 ( -0.894 -0.516 3.201) 3.363 7.549 ( 3.819 2.205 1.468) 4.648 7.776 ( -0.829 -0.478 -3.781) 3.900 8.092 ( 5.556 3.208 1.286) 6.543 8.421 ( 2.984 1.723 8.436) 9.112 9.054 ( 10.275 5.932 -1.904) 12.016 9.801 ( 4.989 2.881 -12.524) 13.785 10.693 ( -8.820 -5.092 12.318) 15.983 11.162 ( -5.223 -3.015 -7.015) 9.251 13.163 ( -0.996 -0.575 -0.443) 1.233 13.197 ( -0.096 -0.056 -3.172) 3.174 ======================= Grid point 3 (4/146) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( 16.994 9.812 8.235) 21.281 1.266 ( 18.520 10.692 1.676) 21.450 2.139 ( 15.974 9.223 4.446) 18.974 2.551 ( -16.720 -9.653 -3.628) 19.644 3.328 ( -12.207 -7.048 1.227) 14.149 3.395 ( -10.079 -5.819 -8.894) 14.647 3.997 ( 1.903 1.099 2.515) 3.340 4.188 ( -1.018 -0.588 2.133) 2.436 4.354 ( -2.868 -1.656 0.341) 3.329 4.754 ( 3.520 2.032 0.654) 4.116 4.926 ( 2.289 1.321 -3.527) 4.407 5.281 ( 9.736 5.621 1.344) 11.322 5.579 ( 0.018 0.010 11.579) 11.579 5.692 ( 1.860 1.074 2.924) 3.628 5.761 ( -2.884 -1.665 -4.279) 5.422 6.258 ( -10.356 -5.979 5.457) 13.144 6.358 ( -0.394 -0.227 -7.815) 7.828 6.564 ( -6.459 -3.729 -0.252) 7.462 7.321 ( 5.019 2.898 -0.281) 5.802 7.384 ( -1.498 -0.865 4.059) 4.412 7.640 ( 3.734 2.156 0.687) 4.366 7.735 ( -0.495 -0.286 -4.238) 4.276 8.237 ( 7.590 4.382 0.600) 8.785 8.549 ( 3.216 1.857 10.802) 11.422 9.288 ( 12.733 7.351 -2.153) 14.859 9.844 ( 3.859 2.228 -3.722) 5.806 10.559 ( -9.749 -5.629 8.740) 14.252 10.977 ( -7.284 -4.205 -10.233) 13.246 13.139 ( -0.974 -0.562 -0.531) 1.244 13.173 ( -0.738 -0.426 -1.972) 2.148 ======================= Grid point 4 (5/146) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.602 ( 13.080 7.552 5.431) 16.050 1.639 ( 14.842 8.569 2.683) 17.346 2.268 ( -7.508 -4.335 0.200) 8.671 2.296 ( 0.195 0.113 -2.870) 2.878 3.095 ( -11.253 -6.497 2.175) 13.175 3.109 ( -11.657 -6.730 -8.037) 15.677 4.091 ( 3.818 2.204 0.521) 4.440 4.176 ( -1.321 -0.763 1.729) 2.306 4.373 ( 5.181 2.991 5.046) 7.826 4.796 ( 0.442 0.255 -1.221) 1.323 4.979 ( 5.048 2.914 -1.585) 6.041 5.502 ( 8.227 4.750 4.090) 10.343 5.606 ( -4.691 -2.709 4.382) 6.968 5.702 ( -0.716 -0.413 2.638) 2.764 5.753 ( 5.014 2.895 -5.058) 7.688 6.034 ( -11.192 -6.462 1.713) 13.037 6.292 ( -0.653 -0.377 -9.314) 9.344 6.432 ( -7.602 -4.389 4.783) 9.996 7.381 ( -1.345 -0.776 4.870) 5.111 7.395 ( 2.499 1.443 -2.696) 3.949 7.704 ( 2.140 1.235 -0.095) 2.473 7.715 ( 0.667 0.385 -2.544) 2.658 8.413 ( 8.770 5.063 -0.579) 10.143 8.660 ( 0.904 0.522 9.316) 9.374 9.551 ( 13.181 7.610 -2.137) 15.369 9.923 ( 3.882 2.241 2.008) 4.911 10.399 ( -9.819 -5.669 8.344) 14.077 10.739 ( -8.402 -4.851 -12.867) 16.115 13.119 ( -0.549 -0.317 -0.420) 0.760 13.145 ( -0.930 -0.537 -1.164) 1.583 ======================= Grid point 5 (6/146) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.801 ( 4.863 2.807 0.739) 5.663 1.850 ( 1.859 1.073 1.994) 2.929 2.264 ( 2.474 1.428 5.603) 6.289 2.272 ( 2.992 1.727 -5.268) 6.299 2.854 ( -6.157 -3.555 -6.241) 9.461 2.876 ( -9.438 -5.449 2.457) 11.172 4.132 ( 1.492 0.861 -1.579) 2.337 4.155 ( -1.543 -0.891 1.562) 2.370 4.590 ( 8.711 5.029 6.608) 12.035 4.751 ( -3.569 -2.061 -3.664) 5.514 5.144 ( 11.125 6.423 0.930) 12.879 5.422 ( -12.341 -7.125 -2.139) 14.410 5.638 ( 1.980 1.143 6.083) 6.498 5.695 ( -2.062 -1.190 0.310) 2.401 5.849 ( 7.811 4.510 -11.787) 14.842 5.901 ( -4.198 -2.424 8.253) 9.572 6.243 ( 2.087 1.205 -8.625) 8.955 6.303 ( -7.500 -4.330 7.031) 11.155 7.388 ( -0.950 -0.548 5.428) 5.538 7.402 ( 0.881 0.509 -4.987) 5.090 7.725 ( 0.750 0.433 -0.445) 0.973 7.730 ( 0.468 0.270 -0.294) 0.615 8.581 ( 7.505 4.333 -2.421) 8.998 8.678 ( -3.634 -2.098 5.531) 6.943 9.804 ( 11.516 6.649 -1.929) 13.437 9.970 ( -3.459 -1.997 2.233) 4.576 10.315 ( -1.248 -0.720 12.474) 12.557 10.485 ( -7.325 -4.229 -14.226) 16.550 13.113 ( 0.098 0.057 -0.070) 0.134 13.122 ( -0.677 -0.391 -0.482) 0.919 ======================= Grid point 12 (7/146) ======================= q-point: ( 0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.434 ( -0.000 19.170 6.407) 20.212 0.446 ( -0.000 15.295 13.476) 20.385 0.965 ( -0.000 37.022 21.664) 42.895 3.336 ( 0.000 -14.642 -2.847) 14.916 3.654 ( 0.000 -7.232 -10.079) 12.405 3.787 ( 0.000 -0.032 -3.542) 3.542 4.174 ( -0.000 -0.557 1.061) 1.198 4.196 ( -0.000 -3.966 2.759) 4.832 4.398 ( 0.000 1.130 -0.836) 1.406 4.535 ( -0.000 3.461 1.779) 3.891 4.627 ( 0.000 6.405 -4.897) 8.062 5.376 ( 0.000 -3.220 -3.538) 4.783 5.387 ( -0.000 -9.906 9.969) 14.054 5.784 ( -0.000 -13.227 38.819) 41.010 5.898 ( 0.000 -3.818 -4.209) 5.683 6.322 ( 0.000 -2.515 -2.422) 3.492 6.471 ( -0.000 3.384 4.293) 5.466 6.809 ( 0.000 -1.719 -0.444) 1.776 7.196 ( -0.000 1.727 2.779) 3.272 7.307 ( 0.000 1.403 -4.494) 4.708 7.544 ( -0.000 -1.316 7.043) 7.165 7.829 ( -0.000 1.174 0.189) 1.189 7.998 ( -0.000 3.133 1.797) 3.611 8.263 ( 0.000 -0.434 -3.693) 3.718 8.976 ( -0.000 9.782 8.011) 12.644 9.531 ( 0.000 21.448 -35.220) 41.236 10.946 ( -0.000 -14.409 20.465) 25.028 11.304 ( 0.000 -0.955 -0.691) 1.178 13.117 ( 0.000 1.323 -11.398) 11.475 13.180 ( 0.000 -0.909 -0.631) 1.106 ======================= Grid point 13 (8/146) ======================= q-point: ( 0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.737 ( 11.053 16.038 5.195) 20.159 0.753 ( 10.741 13.463 10.913) 20.389 1.549 ( 15.083 30.463 17.664) 38.308 3.063 ( -12.492 -15.245 -4.092) 20.129 3.512 ( -0.775 -10.461 -8.919) 13.769 3.693 ( -6.045 -3.507 -5.746) 9.047 4.084 ( -6.078 -2.358 3.291) 7.303 4.220 ( 0.184 -0.512 2.389) 2.450 4.414 ( 0.923 -0.900 -0.549) 1.401 4.601 ( 2.936 0.960 1.962) 3.659 4.726 ( 8.447 6.157 -5.879) 11.993 5.220 ( -5.835 -4.335 -0.149) 7.270 5.444 ( 6.169 -7.376 5.043) 10.858 5.805 ( -3.231 -2.415 2.591) 4.794 5.851 ( -4.614 0.326 13.288) 14.070 6.303 ( 1.753 -5.245 -0.923) 5.607 6.507 ( -3.884 3.657 5.464) 7.636 6.759 ( -3.983 -1.204 -1.203) 4.331 7.222 ( -0.228 4.365 0.464) 4.395 7.357 ( 5.617 -1.184 0.540) 5.766 7.558 ( -1.736 1.185 5.453) 5.844 7.807 ( -3.261 2.804 -2.068) 4.772 8.064 ( 2.965 3.639 1.604) 4.961 8.330 ( 9.663 -3.609 1.039) 10.367 9.105 ( -1.854 15.242 6.215) 16.565 9.615 ( 9.942 6.807 -16.880) 20.739 10.869 ( -8.018 -8.026 14.094) 18.093 11.214 ( -7.454 -0.102 -4.451) 8.683 13.101 ( 5.018 -3.059 -8.605) 10.420 13.160 ( -0.346 -1.480 -1.119) 1.888 ======================= Grid point 14 (9/146) ======================= q-point: ( 0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( 14.559 11.012 5.805) 19.155 1.136 ( 14.785 13.146 6.977) 20.979 2.102 ( 11.673 20.195 11.084) 25.826 2.677 ( -15.238 -13.337 -3.826) 20.609 3.321 ( -4.302 -12.591 -6.316) 14.728 3.485 ( -9.312 -5.551 -6.721) 12.755 4.029 ( -2.240 0.879 3.982) 4.653 4.219 ( -1.228 -0.297 2.428) 2.737 4.384 ( -2.373 -1.890 0.191) 3.039 4.671 ( 5.325 -2.265 0.798) 5.842 4.858 ( 5.769 3.243 -6.616) 9.359 5.187 ( 5.201 1.783 -1.826) 5.794 5.499 ( 6.316 -8.272 3.699) 11.045 5.736 ( -0.380 -3.959 -2.890) 4.917 5.881 ( -7.047 7.771 12.265) 16.139 6.258 ( 0.221 -6.742 -0.600) 6.773 6.439 ( -10.298 -0.478 2.461) 10.598 6.672 ( -6.362 1.159 1.677) 6.680 7.272 ( 2.696 1.392 -0.448) 3.067 7.435 ( 1.239 2.833 2.444) 3.941 7.594 ( 2.080 0.198 4.035) 4.544 7.772 ( -3.093 4.603 -3.092) 6.349 8.170 ( 5.582 3.315 0.565) 6.517 8.479 ( 10.565 -3.819 4.877) 12.247 9.279 ( 2.183 15.726 2.604) 16.089 9.738 ( 8.240 3.070 -4.310) 9.792 10.733 ( -10.640 -6.612 12.110) 17.424 11.034 ( -9.713 0.044 -9.257) 13.418 13.098 ( 4.395 -4.171 -6.316) 8.752 13.131 ( -0.204 -1.930 -1.642) 2.542 ======================= Grid point 15 (10/146) ======================= q-point: ( 0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( 15.329 6.964 4.471) 17.421 1.525 ( 14.672 11.713 5.288) 19.504 2.309 ( -7.648 -4.117 0.359) 8.693 2.380 ( -4.860 1.975 1.253) 5.393 3.081 ( -6.555 -13.008 -4.841) 15.350 3.244 ( -9.895 -5.331 -5.663) 12.586 4.069 ( 1.817 1.776 2.022) 3.247 4.212 ( -1.684 0.347 2.098) 2.713 4.369 ( 1.969 1.281 4.695) 5.250 4.727 ( 4.780 -3.193 -1.700) 5.994 4.913 ( 4.239 2.359 -4.680) 6.741 5.342 ( 11.646 1.151 -4.048) 12.383 5.527 ( 4.990 -7.803 0.432) 9.272 5.710 ( 1.260 -0.719 0.646) 1.588 5.900 ( -7.705 7.635 6.664) 12.731 6.170 ( -7.394 -4.160 1.077) 8.552 6.252 ( -6.886 -3.068 -1.789) 7.748 6.588 ( -8.587 0.388 5.340) 10.119 7.317 ( 3.378 -1.674 -0.201) 3.776 7.454 ( -2.408 1.181 1.337) 2.997 7.674 ( 2.745 3.328 2.810) 5.149 7.762 ( -2.301 5.489 -1.829) 6.226 8.309 ( 8.266 3.127 -0.712) 8.866 8.627 ( 7.678 -3.554 5.136) 9.897 9.478 ( 6.378 11.134 -0.451) 12.839 9.888 ( 5.803 5.035 4.610) 8.960 10.566 ( -11.265 -6.625 11.347) 17.307 10.804 ( -11.213 0.582 -12.634) 16.903 13.088 ( 3.219 -3.857 -4.434) 6.701 13.102 ( 0.576 -2.256 -2.147) 3.167 ======================= Grid point 16 (11/146) ======================= q-point: ( 0.45 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.724 ( 9.409 2.361 2.752) 10.083 1.834 ( 7.401 7.634 2.199) 10.858 2.167 ( 0.537 -5.761 1.595) 6.001 2.339 ( -4.182 3.002 0.579) 5.180 2.842 ( -5.264 -9.070 -4.921) 11.584 2.999 ( -10.527 -6.318 -3.836) 12.863 4.107 ( 1.595 0.418 -0.369) 1.689 4.187 ( -2.175 -0.702 1.149) 2.558 4.540 ( 8.119 4.245 7.872) 12.080 4.720 ( 0.806 -4.876 -4.009) 6.364 5.032 ( 9.685 6.353 -2.880) 11.935 5.420 ( 3.806 -5.966 -7.981) 10.666 5.559 ( 4.063 -5.245 6.014) 8.955 5.757 ( -3.301 1.977 -4.363) 5.817 5.800 ( -4.840 2.660 -0.428) 5.539 6.029 ( -5.269 0.365 1.896) 5.611 6.206 ( -0.539 1.770 2.786) 3.345 6.464 ( -10.462 -2.158 6.675) 12.597 7.345 ( 2.382 -1.198 -1.995) 3.330 7.423 ( -1.419 -1.876 2.008) 3.092 7.751 ( -0.276 4.989 2.320) 5.509 7.768 ( -2.086 4.530 -0.304) 4.996 8.467 ( 8.760 2.864 -2.578) 9.570 8.694 ( 1.768 -4.350 2.936) 5.538 9.679 ( 10.142 5.504 -0.976) 11.581 10.022 ( -1.017 2.382 7.521) 7.955 10.441 ( -5.849 -1.071 11.272) 12.745 10.549 ( -11.878 1.559 -12.969) 17.656 13.079 ( 2.382 -2.900 -2.829) 4.700 13.085 ( 1.726 -2.532 -2.396) 3.890 ======================= Grid point 17 (12/146) ======================= q-point: (-0.45 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.844 ( -4.583 -2.402 -0.008) 5.174 1.850 ( 2.307 1.593 0.847) 2.929 2.209 ( 0.151 -3.792 -5.437) 6.631 2.318 ( 1.543 -2.146 6.378) 6.904 2.769 ( 1.364 -0.301 -5.096) 5.284 2.848 ( 3.425 1.776 2.818) 4.778 4.132 ( 0.958 0.410 -1.018) 1.457 4.158 ( -0.929 -0.743 1.578) 1.976 4.612 ( -4.116 -6.603 -5.535) 9.548 4.711 ( 5.297 0.478 4.400) 6.902 5.251 ( -0.128 -1.365 -5.194) 5.372 5.285 ( 0.857 1.916 -1.389) 2.517 5.553 ( 1.523 -1.902 -5.957) 6.436 5.664 ( 2.146 -3.652 4.815) 6.413 5.859 ( 0.357 6.149 -7.890) 10.009 6.009 ( -1.153 -0.520 7.278) 7.387 6.247 ( -3.105 3.775 0.050) 4.888 6.346 ( -3.670 -0.818 9.477) 10.196 7.338 ( 0.726 -0.646 -4.672) 4.772 7.422 ( 0.961 -2.277 4.458) 5.098 7.758 ( -2.682 3.009 -0.702) 4.091 7.794 ( -2.476 4.704 3.240) 6.225 8.577 ( 5.025 0.355 -5.805) 7.686 8.643 ( -3.416 -4.930 1.199) 6.116 9.870 ( 8.025 0.709 -1.015) 8.120 9.948 ( -8.141 -4.500 7.108) 11.706 10.307 ( -8.694 2.454 -13.273) 16.056 10.557 ( 2.749 8.940 13.644) 16.542 13.080 ( 2.549 -2.181 -1.989) 3.900 13.082 ( 2.324 -2.242 -1.827) 3.710 ======================= Grid point 18 (13/146) ======================= q-point: (-0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( -9.702 -8.464 -2.860) 13.189 1.786 ( -12.265 -3.175 -3.006) 13.021 2.144 ( 6.961 -2.850 -0.786) 7.563 2.379 ( -0.968 4.374 4.707) 6.498 2.871 ( 13.898 -0.774 -0.664) 13.936 3.073 ( 10.582 9.312 3.390) 14.498 4.114 ( -1.227 -2.036 -0.066) 2.378 4.174 ( 0.141 1.758 -0.224) 1.777 4.416 ( -7.739 -5.069 -4.824) 10.434 4.773 ( 1.464 -2.438 1.052) 3.032 5.037 ( -7.299 -3.794 -1.923) 8.448 5.364 ( 5.457 -5.532 -9.728) 12.451 5.593 ( 2.451 -1.860 5.116) 5.970 5.718 ( -1.059 8.409 -8.435) 11.958 5.860 ( 1.464 -0.989 3.221) 3.674 5.989 ( -4.992 3.555 1.656) 6.349 6.243 ( 4.903 -3.739 4.824) 7.828 6.442 ( 2.004 7.404 5.242) 9.291 7.316 ( 1.197 -1.651 -3.544) 4.089 7.445 ( 0.001 -0.047 2.842) 2.843 7.722 ( -3.607 0.480 -0.388) 3.659 7.806 ( -3.468 4.368 3.286) 6.473 8.483 ( -6.251 -6.529 -1.532) 9.167 8.595 ( -0.269 -1.421 -7.224) 7.367 9.739 ( -12.696 -4.471 5.436) 14.517 9.940 ( -2.789 -1.338 -3.096) 4.377 10.253 ( 7.397 3.502 -6.592) 10.509 10.786 ( 4.406 9.779 12.052) 16.133 13.092 ( 2.217 -1.289 -0.876) 2.710 13.098 ( 3.355 -2.087 -1.581) 4.256 ======================= Grid point 19 (14/146) ======================= q-point: (-0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( -15.496 -10.455 -5.315) 19.435 1.471 ( -18.162 -5.858 -2.350) 19.228 2.322 ( -2.468 1.858 2.451) 3.943 2.384 ( 6.692 3.461 1.392) 7.661 3.110 ( 16.358 0.342 -0.422) 16.367 3.342 ( 10.721 7.345 3.977) 13.591 4.035 ( -5.083 -1.233 -1.493) 5.439 4.174 ( 0.094 0.856 -1.498) 1.728 4.330 ( 1.317 0.528 -0.149) 1.427 4.730 ( -0.967 -5.978 -1.331) 6.200 4.957 ( -0.846 -0.862 0.224) 1.228 5.295 ( -0.952 -5.303 -6.994) 8.829 5.557 ( -6.384 -0.053 -2.514) 6.861 5.715 ( 1.696 -0.210 0.808) 1.890 5.813 ( -6.781 1.333 1.884) 7.163 6.097 ( 10.706 3.608 -5.580) 12.600 6.344 ( 5.138 -2.118 7.134) 9.043 6.572 ( 2.439 7.206 3.655) 8.440 7.303 ( 1.214 -2.219 -1.749) 3.075 7.441 ( -3.740 3.225 -0.046) 4.939 7.646 ( -3.561 -3.909 -0.365) 5.301 7.812 ( -2.972 3.947 3.329) 5.957 8.312 ( -7.223 -4.965 -0.745) 8.797 8.493 ( -2.691 -3.366 -8.946) 9.930 9.510 ( -16.134 -1.577 3.718) 16.632 9.863 ( -1.230 -2.514 -1.013) 2.976 10.410 ( 10.165 3.122 -3.694) 11.257 11.001 ( 4.441 7.522 8.985) 12.531 13.116 ( 2.165 -0.563 -0.260) 2.252 13.128 ( 3.561 -1.872 -0.994) 4.144 ======================= Grid point 20 (15/146) ======================= q-point: (-0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.970 ( -17.853 -7.235 -4.454) 19.771 1.102 ( -20.803 -4.458 -0.990) 21.298 1.973 ( -30.698 -3.643 -1.937) 30.974 2.731 ( 21.195 4.660 2.143) 21.807 3.375 ( 15.822 0.821 0.041) 15.844 3.583 ( 9.805 3.956 3.349) 11.091 3.992 ( 0.670 1.085 0.139) 1.283 4.183 ( 0.580 1.105 -1.165) 1.707 4.387 ( 3.125 1.267 0.270) 3.383 4.643 ( -1.566 -5.553 -1.907) 6.077 4.941 ( -3.187 -0.302 0.900) 3.325 5.176 ( -4.175 -1.663 -2.293) 5.045 5.455 ( -2.408 -1.359 -3.131) 4.177 5.685 ( -6.119 1.467 -2.010) 6.606 5.806 ( 3.859 -0.358 1.099) 4.028 6.237 ( 8.032 0.167 -3.443) 8.740 6.425 ( 1.956 -0.092 3.202) 3.753 6.690 ( 3.437 3.935 2.611) 5.841 7.284 ( -2.302 -0.315 0.595) 2.399 7.387 ( -4.530 2.511 -2.579) 5.786 7.554 ( -1.917 -4.795 -0.330) 5.175 7.824 ( -1.623 2.478 2.464) 3.853 8.164 ( -6.999 -2.167 -0.408) 7.338 8.375 ( -2.005 -3.030 -5.958) 6.978 9.261 ( -15.711 -0.424 1.870) 15.828 9.847 ( 0.789 -1.812 2.628) 3.288 10.557 ( 7.778 2.235 -3.451) 8.798 11.164 ( 4.058 4.068 4.851) 7.520 13.145 ( 1.853 -0.070 0.027) 1.854 13.163 ( 3.242 -1.384 -0.268) 3.535 ======================= Grid point 21 (16/146) ======================= q-point: (-0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.624 ( -19.251 0.000 0.000) 19.251 0.733 ( -22.516 0.000 0.000) 22.516 1.365 ( -40.297 0.000 0.000) 40.297 3.100 ( 20.514 -0.000 -0.000) 20.514 3.603 ( 12.050 -0.000 -0.000) 12.050 3.741 ( 5.940 -0.000 -0.000) 5.940 4.056 ( 5.729 -0.000 -0.000) 5.729 4.191 ( -0.011 0.000 0.000) 0.011 4.422 ( 0.628 -0.000 -0.000) 0.628 4.578 ( -2.573 0.000 0.000) 2.573 4.825 ( -9.557 0.000 0.000) 9.557 5.159 ( 2.428 -0.000 -0.000) 2.428 5.421 ( 0.102 -0.000 -0.000) 0.102 5.579 ( -6.607 0.000 0.000) 6.607 5.877 ( 4.265 -0.000 -0.000) 4.265 6.320 ( 4.134 -0.000 -0.000) 4.134 6.441 ( -0.834 0.000 0.000) 0.834 6.771 ( 3.424 -0.000 -0.000) 3.424 7.218 ( -5.093 0.000 0.000) 5.093 7.356 ( 0.438 -0.000 -0.000) 0.438 7.503 ( -1.984 0.000 0.000) 1.984 7.826 ( -0.716 0.000 0.000) 0.716 8.050 ( -5.680 0.000 0.000) 5.680 8.318 ( -0.894 0.000 0.000) 0.894 9.041 ( -12.299 0.000 0.000) 12.299 9.873 ( 1.530 -0.000 -0.000) 1.530 10.651 ( 4.466 -0.000 -0.000) 4.466 11.257 ( 3.393 -0.000 -0.000) 3.393 13.170 ( 1.289 -0.000 -0.000) 1.289 13.201 ( 2.438 -0.000 -0.000) 2.438 ======================= Grid point 24 (17/146) ======================= q-point: ( 0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.846 ( -0.000 17.545 5.982) 18.537 0.878 ( -0.000 14.691 12.601) 19.355 1.841 ( -0.000 31.915 17.606) 36.449 2.994 ( 0.000 -17.986 -2.705) 18.188 3.358 ( 0.000 -9.841 -11.082) 14.821 3.644 ( 0.000 -8.140 -8.320) 11.640 4.168 ( -0.000 -3.655 4.519) 5.812 4.191 ( -0.000 -0.306 2.921) 2.937 4.407 ( -0.000 0.256 0.406) 0.480 4.601 ( 0.000 1.653 -0.862) 1.864 4.669 ( 0.000 3.837 -3.703) 5.332 5.224 ( 0.000 -6.287 -6.638) 9.143 5.321 ( -0.000 -8.415 7.139) 11.035 5.732 ( 0.000 -5.585 -6.663) 8.694 6.041 ( -0.000 0.589 20.158) 20.167 6.249 ( 0.000 -3.145 -0.891) 3.269 6.629 ( -0.000 6.713 6.287) 9.197 6.777 ( 0.000 -0.111 -0.899) 0.906 7.266 ( 0.000 -1.069 -2.613) 2.823 7.296 ( -0.000 3.416 5.367) 6.362 7.634 ( -0.000 2.567 5.653) 6.208 7.863 ( -0.000 2.074 0.482) 2.129 8.087 ( -0.000 3.980 1.276) 4.179 8.192 ( 0.000 -2.395 -3.131) 3.942 9.356 ( -0.000 16.386 14.062) 21.593 9.487 ( 0.000 7.611 -15.790) 17.529 10.926 ( -0.000 -6.575 8.111) 10.441 11.270 ( 0.000 -1.406 -1.055) 1.758 12.955 ( 0.000 -4.378 -10.246) 11.142 13.135 ( 0.000 -2.521 -1.925) 3.172 ======================= Grid point 25 (18/146) ======================= q-point: ( 0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( 6.561 15.318 5.445) 17.531 1.132 ( 6.783 13.209 10.843) 18.386 2.252 ( 4.895 24.275 12.534) 27.755 2.729 ( -10.018 -16.022 -2.537) 19.066 3.204 ( -0.721 -10.653 -8.554) 13.681 3.463 ( -3.872 -11.139 -9.712) 15.277 4.114 ( -4.156 -0.628 4.820) 6.395 4.230 ( 1.126 -1.326 2.324) 2.903 4.402 ( -1.432 -0.965 1.309) 2.167 4.596 ( 1.417 -2.161 -1.548) 3.012 4.743 ( 6.476 3.106 -5.338) 8.948 5.119 ( 0.913 -3.177 -4.955) 5.956 5.340 ( 5.452 -8.199 3.386) 10.412 5.662 ( 1.422 -4.000 -4.178) 5.956 6.108 ( -5.094 3.076 10.332) 11.924 6.219 ( -0.073 -4.255 3.957) 5.811 6.636 ( -10.074 4.044 3.044) 11.274 6.775 ( -2.274 2.835 2.677) 4.514 7.243 ( 0.777 -1.018 -1.871) 2.267 7.416 ( 5.419 3.849 4.267) 7.899 7.657 ( -3.446 1.650 5.916) 7.043 7.857 ( -3.042 4.697 -0.673) 5.637 8.130 ( 2.444 1.890 -0.638) 3.155 8.274 ( 11.399 -2.179 0.258) 11.608 9.431 ( -2.176 9.664 -4.861) 11.034 9.671 ( 6.662 12.596 9.352) 17.044 10.872 ( -5.508 -5.403 7.554) 10.798 11.161 ( -10.025 -0.142 -3.930) 10.769 12.905 ( 6.455 -6.101 -9.364) 12.906 13.094 ( 0.112 -3.448 -2.765) 4.421 ======================= Grid point 26 (19/146) ======================= q-point: ( 0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.367 ( 8.707 10.698 5.357) 14.797 1.457 ( 11.973 11.965 7.504) 18.516 2.403 ( -11.013 -10.309 -0.614) 15.098 2.505 ( -2.739 9.282 4.290) 10.586 3.020 ( -4.400 -12.193 -5.381) 14.035 3.239 ( -4.171 -9.766 -9.599) 14.315 4.089 ( -1.578 -0.511 2.360) 2.885 4.244 ( -0.302 -0.442 2.001) 2.071 4.384 ( 0.374 0.350 4.068) 4.101 4.602 ( 4.354 -3.742 -3.656) 6.806 4.822 ( 5.273 1.525 -4.699) 7.226 5.163 ( 7.980 0.801 -5.113) 9.512 5.373 ( 6.152 -6.969 2.096) 9.530 5.658 ( 3.207 -2.498 0.269) 4.074 6.064 ( -4.905 0.136 -0.347) 4.920 6.236 ( -1.896 1.023 9.736) 9.972 6.452 ( -16.354 1.361 -0.317) 16.413 6.754 ( -6.760 2.189 5.330) 8.883 7.251 ( 2.750 -1.823 -0.696) 3.372 7.497 ( -1.793 0.493 0.436) 1.910 7.703 ( 2.628 4.985 6.074) 8.286 7.858 ( -3.330 6.534 -0.158) 7.335 8.204 ( 6.397 0.562 -1.271) 6.546 8.451 ( 11.809 -2.433 1.594) 12.162 9.476 ( 2.962 5.342 -4.908) 7.836 9.949 ( 3.662 14.243 13.513) 19.972 10.752 ( -9.791 -5.865 10.247) 15.339 10.939 ( -13.011 2.059 -9.897) 16.477 12.914 ( 7.760 -6.228 -7.376) 12.385 13.047 ( 0.797 -4.082 -3.448) 5.402 ======================= Grid point 27 (20/146) ======================= q-point: ( 0.45 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( 9.285 5.634 3.508) 11.413 1.786 ( 10.955 9.791 4.763) 15.446 2.175 ( -6.697 -7.756 2.194) 10.480 2.463 ( -8.178 1.531 0.275) 8.325 2.800 ( -4.473 -10.581 -4.724) 12.421 3.026 ( -6.260 -8.516 -8.064) 13.295 4.083 ( 1.093 -1.176 -0.015) 1.605 4.215 ( -1.965 -2.003 0.243) 2.817 4.502 ( 6.122 1.925 6.010) 8.792 4.601 ( 3.781 -5.536 -4.307) 7.968 4.928 ( 7.892 6.330 -3.750) 10.789 5.246 ( 6.279 -1.141 -6.151) 8.864 5.456 ( 7.427 -4.884 5.709) 10.564 5.718 ( 5.202 0.466 0.433) 5.241 5.972 ( -7.139 0.152 -1.687) 7.337 6.154 ( -16.655 1.219 -3.514) 17.065 6.300 ( -1.545 2.066 9.314) 9.665 6.662 ( -10.562 0.241 5.773) 12.039 7.282 ( 3.218 -1.568 -0.213) 3.586 7.435 ( -2.878 -2.595 -0.650) 3.929 7.824 ( 0.297 6.058 3.116) 6.819 7.868 ( -3.002 6.505 2.109) 7.469 8.328 ( 9.330 0.871 -2.114) 9.606 8.590 ( 7.292 -3.335 0.874) 8.066 9.567 ( 7.159 2.456 -2.901) 8.106 10.167 ( -2.652 8.884 13.216) 16.144 10.611 ( -8.908 -1.453 9.240) 12.916 10.696 ( -12.079 3.595 -10.512) 16.411 12.941 ( 6.881 -5.094 -5.201) 10.018 13.007 ( 1.974 -4.311 -3.754) 6.047 ======================= Grid point 28 (21/146) ======================= q-point: ( 0.55 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.793 ( 6.842 2.040 1.763) 7.354 1.922 ( -5.758 -0.077 1.137) 5.869 2.126 ( 5.032 -0.466 -0.066) 5.054 2.334 ( -5.470 -5.993 3.280) 8.752 2.717 ( 2.405 0.491 -4.931) 5.508 2.824 ( -2.115 -4.999 -2.613) 6.024 4.100 ( 2.332 -0.983 -1.117) 2.766 4.169 ( -1.169 -2.218 0.514) 2.559 4.522 ( 1.634 -7.531 -6.255) 9.925 4.661 ( 4.659 -0.135 4.931) 6.785 5.108 ( 8.472 4.418 -4.621) 10.613 5.300 ( 4.770 0.848 -2.223) 5.330 5.545 ( 3.458 -2.290 4.151) 5.868 5.702 ( -15.039 -1.873 -1.888) 15.273 5.851 ( 2.495 4.112 -3.402) 5.891 6.014 ( -0.587 0.586 0.552) 0.996 6.368 ( -0.664 4.009 6.214) 7.425 6.503 ( -12.215 -1.637 6.250) 13.818 7.302 ( 0.581 -0.340 -2.649) 2.733 7.388 ( 1.400 -3.944 1.786) 4.551 7.843 ( -3.329 4.653 -0.282) 5.728 7.911 ( -2.785 5.499 4.664) 7.729 8.460 ( 7.214 1.110 -3.921) 8.285 8.618 ( 0.843 -4.745 -0.091) 4.820 9.712 ( 10.507 0.818 -1.179) 10.604 10.117 ( -11.924 -3.821 9.205) 15.541 10.442 ( -12.629 4.295 -11.780) 17.796 10.697 ( 0.893 9.623 12.348) 15.681 12.974 ( 5.468 -3.588 -3.383) 7.363 12.989 ( 3.482 -3.959 -3.363) 6.254 ======================= Grid point 29 (22/146) ======================= q-point: (-0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.749 ( -9.850 -5.796 -0.972) 11.470 1.903 ( -1.151 2.258 0.032) 2.535 2.027 ( -3.051 -6.702 -3.068) 7.978 2.400 ( 6.572 2.394 5.051) 8.627 2.685 ( 5.373 -2.256 -2.836) 6.481 2.979 ( 12.214 6.141 2.050) 13.824 4.100 ( 0.323 -1.904 -1.408) 2.390 4.165 ( 1.795 -0.803 0.369) 2.000 4.421 ( -2.309 -5.727 -4.100) 7.412 4.735 ( 2.585 -0.931 1.651) 3.205 5.145 ( -5.546 -1.861 -3.753) 6.950 5.246 ( -6.235 -1.386 -2.878) 7.006 5.533 ( 3.628 -2.074 2.209) 4.727 5.687 ( 8.508 4.101 -3.443) 10.053 5.856 ( -2.687 2.936 -4.106) 5.718 6.099 ( 3.145 2.373 4.819) 6.224 6.269 ( -11.358 -2.564 4.054) 12.329 6.496 ( 2.163 3.899 5.653) 7.200 7.275 ( -0.059 -1.219 -2.841) 3.092 7.419 ( 3.369 -2.173 2.137) 4.542 7.814 ( -4.947 3.277 -0.249) 5.939 7.926 ( -3.764 4.026 3.610) 6.589 8.477 ( -2.131 -2.295 -4.732) 5.675 8.568 ( -0.643 -3.143 -1.274) 3.452 9.846 ( 2.510 -1.204 0.235) 2.794 9.968 ( -5.277 -3.055 6.002) 8.556 10.228 ( -8.293 2.995 -8.657) 12.357 10.891 ( 2.659 9.605 9.711) 13.916 12.994 ( 4.414 -3.305 -2.797) 6.183 13.019 ( 4.462 -1.866 -1.533) 5.074 ======================= Grid point 30 (23/146) ======================= q-point: (-0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( -14.408 -5.746 -2.231) 15.671 1.697 ( -16.244 -2.172 -1.311) 16.441 2.137 ( 14.277 0.644 0.289) 14.295 2.501 ( -1.759 2.653 2.725) 4.190 2.846 ( 15.715 -0.740 -0.396) 15.737 3.233 ( 11.774 4.077 1.408) 12.539 4.074 ( -1.426 -1.207 -0.779) 2.025 4.181 ( 0.088 -0.256 -0.796) 0.841 4.324 ( -2.026 -1.328 -0.658) 2.511 4.723 ( -3.562 -2.072 -0.310) 4.132 4.964 ( -4.604 -1.514 -1.261) 5.008 5.216 ( 1.773 -1.392 -3.562) 4.215 5.593 ( 3.039 -2.928 3.766) 5.657 5.746 ( -5.139 3.342 -4.935) 7.870 5.898 ( 8.065 2.816 -1.168) 8.622 6.008 ( -10.226 -1.399 0.414) 10.329 6.282 ( 5.569 -0.018 4.326) 7.052 6.602 ( 3.049 3.398 2.991) 5.458 7.258 ( 1.102 -1.066 -1.410) 2.083 7.464 ( 2.443 -0.313 0.946) 2.638 7.731 ( -8.022 0.751 -0.379) 8.066 7.913 ( -3.724 2.468 2.096) 4.935 8.358 ( -5.186 -3.116 -1.934) 6.352 8.497 ( -4.343 -1.516 -2.948) 5.464 9.766 ( -11.802 -0.600 5.329) 12.963 9.866 ( -5.248 -1.247 -4.232) 6.856 10.249 ( 9.664 1.258 -1.830) 9.916 11.052 ( 2.931 5.428 5.322) 8.148 13.030 ( 4.744 -1.921 -1.438) 5.317 13.065 ( 3.541 -0.626 -0.490) 3.629 ======================= Grid point 31 (24/146) ======================= q-point: (-0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( -16.883 0.000 0.000) 16.883 1.399 ( -19.251 0.000 0.000) 19.251 2.361 ( -16.780 0.000 0.000) 16.780 2.426 ( 18.414 -0.000 -0.000) 18.414 3.112 ( 17.453 -0.000 -0.000) 17.453 3.438 ( 11.372 -0.000 -0.000) 11.372 4.018 ( -3.425 0.000 0.000) 3.425 4.174 ( 0.390 -0.000 -0.000) 0.390 4.341 ( 3.337 -0.000 -0.000) 3.337 4.642 ( -3.118 0.000 0.000) 3.118 4.949 ( 1.233 -0.000 -0.000) 1.233 5.205 ( -1.112 0.000 0.000) 1.112 5.543 ( -8.486 0.000 0.000) 8.486 5.718 ( 2.632 -0.000 -0.000) 2.632 5.829 ( -8.158 0.000 0.000) 8.158 6.082 ( 10.297 -0.000 -0.000) 10.297 6.379 ( 4.706 -0.000 -0.000) 4.706 6.673 ( 2.618 -0.000 -0.000) 2.618 7.273 ( 1.615 -0.000 -0.000) 1.615 7.490 ( -0.987 0.000 0.000) 0.987 7.583 ( -8.649 0.000 0.000) 8.649 7.880 ( -2.822 0.000 0.000) 2.822 8.255 ( -5.691 0.000 0.000) 5.691 8.396 ( -4.934 0.000 0.000) 4.934 9.530 ( -17.151 0.000 0.000) 17.151 9.826 ( 0.668 -0.000 -0.000) 0.668 10.417 ( 10.194 -0.000 -0.000) 10.194 11.142 ( 3.357 -0.000 -0.000) 3.357 13.089 ( 4.323 -0.000 -0.000) 4.323 13.111 ( 2.698 -0.000 -0.000) 2.698 ======================= Grid point 36 (25/146) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( -0.000 14.550 5.157) 15.437 1.280 ( -0.000 13.336 11.238) 17.440 2.499 ( -0.000 20.516 8.869) 22.351 2.649 ( 0.000 -16.674 -1.057) 16.707 3.073 ( 0.000 -7.171 -7.933) 10.694 3.302 ( 0.000 -15.261 -11.627) 19.186 4.176 ( -0.000 -2.167 5.237) 5.668 4.204 ( -0.000 -2.283 1.314) 2.634 4.426 ( -0.000 -0.234 3.133) 3.142 4.534 ( 0.000 -4.499 -6.610) 7.996 4.695 ( 0.000 4.013 -2.486) 4.721 5.034 ( 0.000 -4.310 -5.072) 6.656 5.259 ( -0.000 -5.693 4.056) 6.990 5.597 ( 0.000 -1.338 -4.226) 4.432 6.177 ( 0.000 -5.007 0.855) 5.079 6.243 ( -0.000 0.650 10.581) 10.601 6.794 ( 0.000 3.133 -1.195) 3.353 6.851 ( -0.000 8.029 7.198) 10.783 7.209 ( 0.000 -1.916 -2.285) 2.982 7.431 ( -0.000 2.963 6.686) 7.313 7.749 ( -0.000 1.366 5.345) 5.517 7.914 ( -0.000 2.496 0.969) 2.677 8.126 ( 0.000 -0.503 -1.560) 1.639 8.155 ( 0.000 3.115 -1.130) 3.314 9.437 ( 0.000 3.300 -8.450) 9.072 9.877 ( -0.000 19.146 17.048) 25.636 10.906 ( -0.000 -3.497 3.933) 5.263 11.232 ( 0.000 -1.251 -1.085) 1.656 12.726 ( 0.000 -6.764 -10.148) 12.195 13.034 ( 0.000 -4.771 -3.866) 6.141 ======================= Grid point 37 (26/146) ======================= q-point: ( 0.36 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.408 ( 5.012 12.177 4.308) 13.855 1.485 ( 3.779 11.505 9.808) 15.584 2.440 ( -7.044 -12.950 -0.038) 14.742 2.656 ( -2.290 7.881 1.041) 8.272 2.955 ( -4.304 -8.270 -4.569) 10.382 3.100 ( 1.090 -10.931 -10.429) 15.147 4.121 ( -3.426 -3.864 0.826) 5.230 4.229 ( 2.054 -2.700 1.973) 3.924 4.405 ( -0.899 -1.672 0.304) 1.923 4.486 ( 2.727 -3.305 -3.139) 5.312 4.754 ( 3.181 4.452 -1.692) 5.728 5.042 ( 5.663 0.857 -1.893) 6.032 5.257 ( 3.184 -4.618 2.470) 6.129 5.591 ( 2.392 -0.425 -1.828) 3.040 6.102 ( -3.353 -4.512 0.292) 5.629 6.307 ( 0.769 -0.116 7.502) 7.542 6.723 ( -12.085 4.536 -0.776) 12.932 6.912 ( -5.452 4.902 6.101) 9.538 7.189 ( 1.721 -2.188 -1.440) 3.134 7.528 ( 1.195 1.975 3.622) 4.295 7.745 ( -0.495 0.792 4.887) 4.975 7.959 ( -0.612 5.116 1.420) 5.345 8.115 ( 2.017 -0.501 -1.659) 2.659 8.276 ( 9.754 1.479 0.017) 9.866 9.435 ( 1.830 2.476 -5.627) 6.414 10.163 ( 0.928 18.067 16.616) 24.564 10.865 ( -4.356 -3.048 4.210) 6.781 11.115 ( -11.508 -0.166 -3.230) 11.954 12.672 ( 7.798 -6.801 -8.664) 13.496 12.965 ( 0.672 -5.578 -4.641) 7.288 ======================= Grid point 38 (27/146) ======================= q-point: ( 0.45 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.602 ( 4.198 8.346 3.868) 10.111 1.739 ( 9.462 9.190 6.661) 14.777 2.231 ( -7.267 -8.166 1.960) 11.106 2.596 ( -7.492 -1.163 -2.657) 8.034 2.736 ( -4.068 -11.282 -5.780) 13.313 2.981 ( -3.767 -5.253 -6.380) 9.082 4.049 ( -0.317 -3.639 -1.426) 3.921 4.193 ( 0.044 -5.890 -2.423) 6.369 4.438 ( 2.664 -1.452 -1.182) 3.256 4.509 ( 4.340 -0.262 3.193) 5.394 4.861 ( 5.691 6.986 -2.061) 9.244 5.133 ( 4.669 -0.332 -1.191) 4.830 5.335 ( 7.624 -0.058 3.128) 8.241 5.635 ( 4.680 -1.237 0.770) 4.902 6.016 ( -2.850 -2.338 -0.974) 3.813 6.357 ( 0.613 -0.358 5.892) 5.934 6.491 ( -20.442 3.780 -1.432) 20.838 6.861 ( -9.011 2.379 4.893) 10.526 7.210 ( 3.676 -1.994 -0.023) 4.182 7.477 ( -5.643 -1.847 -0.797) 5.991 7.867 ( 4.291 4.180 5.132) 7.889 7.985 ( -2.700 5.674 1.782) 6.532 8.171 ( 7.665 -1.255 -2.101) 8.046 8.445 ( 9.331 0.279 0.451) 9.347 9.473 ( 4.257 1.441 -3.261) 5.553 10.401 ( -2.856 12.404 14.989) 19.664 10.774 ( -7.279 -1.492 4.191) 8.531 10.877 ( -13.796 2.302 -5.462) 15.015 12.719 ( 10.131 -5.542 -6.026) 13.025 12.904 ( 1.870 -5.570 -4.750) 7.555 ======================= Grid point 39 (28/146) ======================= q-point: ( 0.55 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.739 ( 3.921 3.741 2.092) 5.809 1.994 ( 7.012 7.780 3.499) 11.043 2.078 ( -5.475 -6.170 2.474) 8.612 2.395 ( -8.372 -8.239 -1.924) 11.902 2.650 ( 2.979 0.496 -2.916) 4.198 2.805 ( -5.843 -5.742 -4.886) 9.539 4.030 ( 2.603 -2.841 -2.254) 4.464 4.136 ( 1.173 -4.989 -1.866) 5.454 4.420 ( 0.197 -2.491 -2.833) 3.777 4.615 ( 4.726 -0.270 3.978) 6.183 5.017 ( 6.494 5.512 -2.661) 8.924 5.196 ( 6.397 -0.126 -0.760) 6.443 5.466 ( 5.379 -0.347 2.419) 5.908 5.744 ( 7.639 1.136 2.213) 8.033 5.950 ( -5.349 -0.084 -1.545) 5.568 6.157 ( -19.958 1.457 -0.242) 20.012 6.409 ( 1.398 0.905 3.160) 3.572 6.732 ( -12.422 0.741 3.874) 13.033 7.260 ( 3.784 -1.081 0.420) 3.958 7.367 ( -3.683 -2.817 -1.487) 4.869 7.926 ( -2.062 3.303 0.449) 3.919 8.020 ( -1.845 3.790 4.278) 6.006 8.308 ( 10.692 0.504 -2.126) 10.913 8.551 ( 3.865 -1.326 -0.147) 4.088 9.562 ( 7.825 0.570 -1.427) 7.974 10.367 ( -15.554 -2.179 9.837) 18.533 10.612 ( -11.619 4.478 -10.020) 15.983 10.837 ( -0.069 7.491 9.511) 12.107 12.803 ( 9.119 -3.554 -3.496) 10.393 12.872 ( 3.364 -4.497 -3.853) 6.810 ======================= Grid point 40 (29/146) ======================= q-point: (-0.36 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.812 ( 0.846 -0.691 -0.151) 1.103 1.915 ( -6.965 -1.537 1.336) 7.257 2.100 ( -7.166 0.156 -2.015) 7.445 2.300 ( 8.170 -1.794 3.032) 8.898 2.628 ( -2.588 -1.808 -3.054) 4.392 2.831 ( 11.941 2.176 0.617) 12.154 4.040 ( 3.095 -2.180 -2.089) 4.324 4.122 ( 1.816 -2.160 -0.200) 2.829 4.381 ( -0.581 -1.795 -1.689) 2.533 4.692 ( 3.371 -0.290 1.453) 3.682 5.098 ( 3.147 0.427 -1.959) 3.732 5.325 ( 5.833 0.524 1.625) 6.078 5.548 ( 5.343 0.283 -1.339) 5.516 5.657 ( -19.809 -0.608 -1.401) 19.867 5.881 ( 1.533 1.857 -0.698) 2.507 6.072 ( 3.163 1.640 2.598) 4.409 6.445 ( -2.954 0.299 1.544) 3.346 6.556 ( -9.072 0.415 2.704) 9.476 7.266 ( -1.748 -0.648 -1.423) 2.345 7.345 ( 4.144 -1.794 0.706) 4.570 7.907 ( -3.427 2.053 -0.043) 3.995 8.027 ( -2.971 1.772 2.372) 4.195 8.446 ( 5.634 1.896 -1.942) 6.254 8.539 ( -1.706 -3.231 -0.351) 3.671 9.709 ( 10.480 0.140 -0.401) 10.488 10.133 ( -13.919 -2.432 3.914) 14.662 10.400 ( -13.275 1.961 -4.675) 14.210 10.973 ( 2.083 5.705 5.566) 8.238 12.877 ( 5.009 -2.409 -2.160) 5.963 12.903 ( 6.759 -1.575 -1.326) 7.065 ======================= Grid point 41 (30/146) ======================= q-point: (-0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( -12.636 0.000 0.000) 12.636 1.917 ( -12.824 0.000 0.000) 12.824 1.954 ( 8.223 -0.000 -0.000) 8.223 2.471 ( 8.418 -0.000 -0.000) 8.418 2.640 ( 7.446 -0.000 -0.000) 7.446 3.056 ( 13.444 -0.000 -0.000) 13.444 4.062 ( 1.475 -0.000 -0.000) 1.475 4.146 ( 2.472 -0.000 -0.000) 2.472 4.351 ( -1.730 0.000 0.000) 1.730 4.735 ( 1.486 -0.000 -0.000) 1.486 5.104 ( -6.069 0.000 0.000) 6.069 5.217 ( -10.701 0.000 0.000) 10.701 5.522 ( 4.057 -0.000 -0.000) 4.057 5.692 ( 9.861 -0.000 -0.000) 9.861 5.869 ( -2.759 0.000 0.000) 2.759 6.158 ( 0.894 -0.000 -0.000) 0.894 6.275 ( -10.221 0.000 0.000) 10.221 6.571 ( 3.562 -0.000 -0.000) 3.562 7.240 ( -0.214 0.000 0.000) 0.214 7.409 ( 4.112 -0.000 -0.000) 4.112 7.847 ( -5.581 0.000 0.000) 5.581 7.990 ( -3.598 0.000 0.000) 3.598 8.427 ( -5.819 0.000 0.000) 5.819 8.521 ( 0.192 -0.000 -0.000) 0.192 9.839 ( 2.865 -0.000 -0.000) 2.865 9.975 ( -6.216 0.000 0.000) 6.216 10.203 ( -7.740 0.000 0.000) 7.740 11.053 ( 2.402 -0.000 -0.000) 2.402 12.937 ( 5.025 -0.000 -0.000) 5.025 12.991 ( 5.277 -0.000 -0.000) 5.277 ======================= Grid point 48 (31/146) ======================= q-point: ( 0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( -0.000 9.832 3.678) 10.498 1.624 ( -0.000 10.594 8.936) 13.859 2.382 ( 0.000 -11.958 0.654) 11.976 2.687 ( 0.000 -0.977 -4.532) 4.636 2.859 ( 0.000 -15.940 -11.598) 19.713 3.019 ( -0.000 5.172 0.702) 5.219 4.106 ( 0.000 -6.332 -4.248) 7.625 4.191 ( -0.000 -3.171 4.631) 5.613 4.321 ( 0.000 -7.030 -7.030) 9.942 4.473 ( -0.000 0.721 3.040) 3.124 4.795 ( -0.000 7.971 1.604) 8.131 5.000 ( -0.000 2.475 0.962) 2.656 5.210 ( -0.000 -3.648 1.846) 4.088 5.563 ( 0.000 1.327 -2.772) 3.073 6.088 ( 0.000 -5.884 1.374) 6.042 6.322 ( -0.000 -0.920 3.684) 3.797 6.848 ( 0.000 3.845 -1.109) 4.002 7.065 ( -0.000 6.071 5.044) 7.893 7.150 ( 0.000 -1.680 -0.889) 1.901 7.553 ( -0.000 1.676 6.078) 6.304 7.767 ( -0.000 -3.055 0.783) 3.153 7.976 ( -0.000 2.223 2.081) 3.045 8.168 ( -0.000 3.360 2.642) 4.274 8.168 ( 0.000 1.583 -3.714) 4.037 9.412 ( 0.000 2.180 -3.956) 4.517 10.418 ( -0.000 17.036 15.629) 23.119 10.895 ( -0.000 -1.695 2.058) 2.667 11.200 ( 0.000 -0.904 -1.152) 1.465 12.489 ( 0.000 -6.252 -8.172) 10.289 12.874 ( 0.000 -6.200 -5.185) 8.082 ======================= Grid point 49 (32/146) ======================= q-point: ( 0.45 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.625 ( 4.518 6.761 2.450) 8.493 1.770 ( 1.969 7.972 6.849) 10.693 2.261 ( -3.790 -7.538 1.630) 8.593 2.608 ( -3.740 -7.828 -7.004) 11.150 2.653 ( -1.085 -7.043 -5.878) 9.238 3.024 ( -5.257 1.821 -0.717) 5.610 4.007 ( -0.949 -5.255 -4.082) 6.721 4.121 ( -2.408 -5.677 -2.264) 6.569 4.349 ( 8.350 -2.096 0.634) 8.632 4.490 ( -0.174 0.542 1.543) 1.644 4.875 ( 0.217 7.591 1.547) 7.750 5.071 ( 2.816 0.084 1.122) 3.032 5.248 ( 7.004 1.279 2.089) 7.420 5.573 ( 1.854 0.000 -1.401) 2.324 6.025 ( -2.106 -3.947 0.581) 4.511 6.346 ( 1.946 -1.309 2.104) 3.151 6.786 ( -11.664 3.225 -0.950) 12.139 7.056 ( -8.702 3.656 3.430) 10.043 7.141 ( 2.030 -1.836 0.148) 2.741 7.561 ( -5.809 -0.797 0.772) 5.914 7.806 ( 8.535 0.065 3.624) 9.273 8.041 ( 2.585 2.314 0.945) 3.596 8.106 ( -2.477 0.820 -1.207) 2.875 8.312 ( 8.756 1.834 0.508) 8.961 9.424 ( 1.659 1.562 -2.237) 3.193 10.637 ( -1.439 12.333 12.941) 17.935 10.864 ( -3.567 -0.615 1.210) 3.817 11.078 ( -11.894 -0.349 -2.108) 12.084 12.476 ( 9.131 -4.610 -5.482) 11.606 12.799 ( 1.205 -5.451 -4.615) 7.243 ======================= Grid point 50 (33/146) ======================= q-point: ( 0.55 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( 2.519 3.397 1.367) 4.445 1.928 ( 7.224 3.616 3.110) 8.657 2.164 ( -4.790 -1.668 2.996) 5.891 2.402 ( -5.978 -7.784 -5.556) 11.278 2.604 ( 1.038 -0.668 -1.719) 2.117 2.884 ( -10.386 -1.366 -1.521) 10.585 3.955 ( 1.470 -2.745 -2.492) 3.988 4.056 ( 1.154 -3.295 -1.523) 3.809 4.419 ( -0.300 -0.144 0.264) 0.425 4.540 ( 6.024 -0.301 1.290) 6.168 4.972 ( 3.639 4.974 -0.256) 6.169 5.100 ( 4.000 -2.310 0.279) 4.628 5.412 ( 5.463 3.036 0.996) 6.329 5.627 ( 7.493 -0.772 1.129) 7.617 5.977 ( -1.266 -0.988 -0.188) 1.617 6.379 ( 1.902 -1.074 1.472) 2.634 6.533 ( -21.147 1.871 -0.854) 21.246 6.941 ( -10.567 1.289 1.968) 10.826 7.182 ( 4.356 -1.051 0.264) 4.488 7.433 ( -7.346 -1.178 -0.736) 7.476 7.956 ( 3.168 1.068 1.842) 3.817 8.081 ( -0.213 1.693 1.833) 2.504 8.132 ( 8.079 0.082 -1.748) 8.266 8.460 ( 7.472 0.516 0.205) 7.493 9.467 ( 3.985 0.591 -0.923) 4.133 10.663 ( -14.190 -1.039 11.446) 18.261 10.760 ( -9.571 4.099 -9.799) 14.297 10.944 ( -2.187 3.043 4.334) 5.729 12.592 ( 11.506 -2.254 -2.383) 11.965 12.767 ( 2.690 -3.138 -2.681) 4.927 ======================= Grid point 51 (34/146) ======================= q-point: (-0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.788 ( 1.248 -0.000 -0.000) 1.248 2.020 ( -2.768 0.000 0.000) 2.768 2.155 ( 4.834 -0.000 -0.000) 4.834 2.231 ( -7.411 0.000 0.000) 7.411 2.664 ( 5.528 -0.000 -0.000) 5.528 2.714 ( -6.364 0.000 0.000) 6.364 3.970 ( 2.963 -0.000 -0.000) 2.963 4.071 ( 2.721 -0.000 -0.000) 2.721 4.392 ( -1.914 0.000 0.000) 1.914 4.634 ( 4.722 -0.000 -0.000) 4.722 5.046 ( 3.280 -0.000 -0.000) 3.280 5.199 ( 8.863 -0.000 -0.000) 8.863 5.474 ( 2.936 -0.000 -0.000) 2.936 5.783 ( 8.688 -0.000 -0.000) 8.688 5.939 ( -5.740 0.000 0.000) 5.740 6.176 ( -18.984 0.000 0.000) 18.984 6.428 ( 2.573 -0.000 -0.000) 2.573 6.766 ( -13.059 0.000 0.000) 13.059 7.252 ( 4.462 -0.000 -0.000) 4.462 7.326 ( -4.547 0.000 0.000) 4.547 7.959 ( -2.067 0.000 0.000) 2.067 8.079 ( -1.776 0.000 0.000) 1.776 8.304 ( 11.440 -0.000 -0.000) 11.440 8.537 ( 1.748 -0.000 -0.000) 1.748 9.559 ( 7.851 -0.000 -0.000) 7.851 10.396 ( -18.632 0.000 0.000) 18.632 10.592 ( -11.233 0.000 0.000) 11.233 10.988 ( 1.592 -0.000 -0.000) 1.592 12.746 ( 9.678 -0.000 -0.000) 9.678 12.798 ( 4.206 -0.000 -0.000) 4.206 ======================= Grid point 60 (35/146) ======================= q-point: ( 0.45 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( -0.000 3.475 1.356) 3.730 1.854 ( -0.000 4.799 3.982) 6.236 2.237 ( 0.000 -4.570 0.870) 4.652 2.522 ( 0.000 -7.338 -5.666) 9.271 2.599 ( 0.000 -1.557 -2.292) 2.771 3.095 ( -0.000 1.920 -0.136) 1.925 3.941 ( 0.000 -3.807 -3.569) 5.218 4.174 ( 0.000 -2.762 -2.097) 3.468 4.179 ( -0.000 -1.824 1.712) 2.501 4.508 ( -0.000 0.350 1.004) 1.063 4.973 ( -0.000 6.258 2.244) 6.648 5.077 ( -0.000 2.300 1.568) 2.784 5.164 ( 0.000 -2.675 0.263) 2.687 5.557 ( 0.000 0.731 -1.524) 1.691 6.014 ( 0.000 -2.927 0.683) 3.006 6.324 ( -0.000 -0.847 0.526) 0.997 6.892 ( 0.000 1.667 -0.447) 1.726 7.095 ( 0.000 -0.665 -0.853) 1.082 7.214 ( -0.000 2.326 2.598) 3.487 7.628 ( -0.000 0.504 2.552) 2.602 7.711 ( 0.000 -1.901 -0.557) 1.981 8.041 ( -0.000 1.134 3.025) 3.230 8.133 ( 0.000 0.196 -3.994) 3.999 8.249 ( -0.000 1.594 1.665) 2.305 9.415 ( 0.000 1.067 -1.000) 1.462 10.808 ( -0.000 7.978 7.651) 11.053 10.892 ( -0.000 -0.502 0.711) 0.870 11.168 ( 0.000 -0.829 -1.251) 1.501 12.332 ( 0.000 -2.613 -3.267) 4.184 12.723 ( 0.000 -3.451 -2.924) 4.523 ======================= Grid point 61 (36/146) ======================= q-point: (-0.45 -0.55 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.703 ( 4.448 -0.000 -0.000) 4.448 1.895 ( 1.270 -0.000 -0.000) 1.270 2.209 ( -1.380 0.000 0.000) 1.380 2.430 ( -4.501 0.000 0.000) 4.501 2.587 ( 0.125 -0.000 -0.000) 0.125 3.035 ( -8.134 0.000 0.000) 8.134 3.916 ( 0.564 -0.000 -0.000) 0.564 4.054 ( -3.881 0.000 0.000) 3.881 4.334 ( 10.255 -0.000 -0.000) 10.255 4.505 ( -0.638 0.000 0.000) 0.638 4.994 ( -2.210 0.000 0.000) 2.210 5.044 ( 0.640 -0.000 -0.000) 0.640 5.298 ( 11.219 -0.000 -0.000) 11.219 5.559 ( 0.999 -0.000 -0.000) 0.999 5.990 ( -1.260 0.000 0.000) 1.260 6.340 ( 2.132 -0.000 -0.000) 2.132 6.810 ( -11.580 0.000 0.000) 11.580 7.099 ( -2.567 0.000 0.000) 2.567 7.139 ( -4.961 0.000 0.000) 4.961 7.551 ( -7.726 0.000 0.000) 7.726 7.828 ( 11.427 -0.000 -0.000) 11.427 8.080 ( 1.810 -0.000 -0.000) 1.810 8.095 ( -1.704 0.000 0.000) 1.704 8.336 ( 7.788 -0.000 -0.000) 7.788 9.427 ( 1.392 -0.000 -0.000) 1.392 10.839 ( -4.058 0.000 0.000) 4.058 10.875 ( -3.533 0.000 0.000) 3.533 11.057 ( -10.127 0.000 0.000) 10.127 12.397 ( 9.747 -0.000 -0.000) 9.747 12.709 ( 1.468 -0.000 -0.000) 1.468 ======================= Grid point 135 (37/146) ======================= q-point: ( 0.09 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 146 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.428 ( -0.000 -0.000 23.615) 23.615 0.428 ( -0.000 -0.000 23.615) 23.615 0.700 ( -0.000 -0.000 37.841) 37.841 3.460 ( 0.000 0.000 -6.421) 6.421 3.692 ( -0.000 0.000 -9.052) 9.052 3.692 ( 0.000 0.000 -9.052) 9.052 4.203 ( -0.000 -0.000 2.679) 2.679 4.203 ( 0.000 -0.000 2.679) 2.679 4.426 ( 0.000 0.000 -4.146) 4.146 4.524 ( -0.000 -0.000 3.741) 3.741 4.524 ( -0.000 -0.000 3.741) 3.741 5.441 ( -0.000 -0.000 1.819) 1.819 5.441 ( 0.000 0.000 1.819) 1.819 5.906 ( 0.000 0.000 -5.350) 5.350 6.369 ( -0.000 -0.000 -0.090) 0.090 6.369 ( 0.000 0.000 -0.090) 0.090 6.676 ( -0.000 -0.000 1.937) 1.937 6.827 ( 0.000 0.000 -0.085) 0.085 7.177 ( -0.000 -0.000 1.075) 1.075 7.177 ( 0.000 0.000 1.075) 1.075 7.800 ( -0.000 0.000 -1.882) 1.882 7.800 ( 0.000 0.000 -1.882) 1.882 7.985 ( -0.000 -0.000 3.382) 3.382 8.073 ( -0.000 -0.000 1.910) 1.910 8.898 ( -0.000 -0.000 7.027) 7.027 8.898 ( -0.000 -0.000 7.027) 7.027 11.278 ( -0.000 0.000 -4.300) 4.300 11.278 ( 0.000 0.000 -4.300) 4.300 13.005 ( -0.000 -0.000 0.124) 0.124 13.184 ( 0.000 0.000 -0.722) 0.722 ======================= Grid point 136 (38/146) ======================= q-point: ( 0.18 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.576 ( 7.888 4.554 16.338) 18.705 0.690 ( 9.907 5.720 19.441) 22.557 1.255 ( 23.774 13.726 27.846) 39.102 3.243 ( -14.163 -8.177 -7.415) 17.957 3.579 ( -2.190 -1.265 -12.196) 12.455 3.665 ( -1.747 -1.009 -8.000) 8.251 4.157 ( -5.392 -3.113 3.157) 6.981 4.235 ( 0.116 0.067 2.593) 2.596 4.413 ( 1.516 0.875 -2.153) 2.775 4.585 ( 3.276 1.891 3.294) 5.016 4.610 ( 6.081 3.511 -0.984) 7.091 5.306 ( -8.117 -4.686 -0.519) 9.387 5.548 ( 3.721 2.149 5.706) 7.143 5.848 ( -1.742 -1.006 -5.947) 6.278 6.061 ( -20.412 -11.785 16.074) 28.528 6.428 ( -6.202 -3.580 5.515) 9.039 6.461 ( 3.120 1.802 3.753) 5.203 6.784 ( -3.943 -2.276 -1.271) 4.727 7.173 ( 0.807 0.466 1.396) 1.678 7.344 ( 6.420 3.707 -0.836) 7.460 7.618 ( -5.336 -3.081 7.439) 9.660 7.755 ( -1.453 -0.839 -3.714) 4.076 8.035 ( 2.524 1.457 3.608) 4.638 8.354 ( 10.386 5.996 -1.601) 12.099 8.934 ( 2.822 1.629 5.761) 6.619 9.325 ( 21.165 12.220 -8.560) 25.895 11.115 ( -11.806 -6.816 8.245) 15.932 11.176 ( -4.451 -2.570 -7.728) 9.281 13.062 ( 4.102 2.368 -6.372) 7.940 13.171 ( -0.690 -0.398 -1.085) 1.346 ======================= Grid point 137 (39/146) ======================= q-point: ( 0.27 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.910 ( 15.899 9.179 6.750) 19.560 1.043 ( 13.189 7.614 15.035) 21.400 1.886 ( 20.678 11.939 19.150) 30.608 2.857 ( -17.227 -9.946 -6.536) 20.939 3.421 ( -5.532 -3.194 -13.217) 14.680 3.526 ( -7.224 -4.171 -5.665) 10.083 4.071 ( -4.106 -2.370 5.170) 7.015 4.240 ( -0.932 -0.538 2.454) 2.679 4.409 ( -1.207 -0.697 -0.820) 1.617 4.681 ( 3.960 2.286 1.375) 4.775 4.743 ( 7.127 4.115 -5.776) 10.055 5.177 ( -1.782 -1.029 -0.168) 2.064 5.637 ( 1.408 0.813 1.512) 2.220 5.793 ( -0.992 -0.573 1.386) 1.798 5.866 ( -7.929 -4.578 10.455) 13.897 6.350 ( -3.826 -2.209 0.729) 4.478 6.479 ( -5.133 -2.963 2.162) 6.309 6.686 ( -3.631 -2.096 1.648) 4.505 7.233 ( 3.657 2.111 1.938) 4.647 7.429 ( 1.759 1.016 1.354) 2.441 7.617 ( 0.601 0.347 5.711) 5.753 7.699 ( -1.213 -0.700 -4.741) 4.943 8.127 ( 4.343 2.507 2.607) 5.651 8.538 ( 7.129 4.116 3.056) 8.781 9.081 ( 7.866 4.542 4.732) 10.242 9.619 ( 11.772 6.797 -3.309) 13.990 10.931 ( -11.427 -6.597 10.942) 17.141 11.000 ( -6.840 -3.949 -10.863) 13.431 13.087 ( 2.457 1.418 -7.341) 7.870 13.144 ( -1.006 -0.581 -1.697) 2.057 ======================= Grid point 138 (40/146) ======================= q-point: ( 0.36 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( 17.776 10.263 2.725) 20.706 1.409 ( 13.577 7.839 11.145) 19.235 2.276 ( 6.599 3.810 9.506) 12.183 2.485 ( -13.966 -8.063 -3.486) 16.499 3.194 ( -8.327 -4.808 -12.747) 15.967 3.320 ( -9.251 -5.341 -2.725) 11.024 4.065 ( 0.441 0.255 4.472) 4.501 4.229 ( -1.345 -0.776 2.150) 2.652 4.385 ( -0.140 -0.081 3.233) 3.237 4.751 ( 2.255 1.302 -0.734) 2.705 4.814 ( 4.677 2.701 -8.098) 9.734 5.264 ( 8.961 5.173 -0.869) 10.383 5.605 ( -1.501 -0.867 -7.692) 7.885 5.795 ( -3.619 -2.089 4.353) 6.035 5.837 ( -0.127 -0.073 11.623) 11.624 6.269 ( -3.684 -2.127 -1.205) 4.421 6.287 ( -11.294 -6.520 -0.977) 13.077 6.644 ( -4.171 -2.408 6.894) 8.409 7.319 ( 2.846 1.643 0.097) 3.288 7.455 ( -0.245 -0.142 3.568) 3.579 7.665 ( 0.820 0.473 -3.276) 3.410 7.677 ( 1.795 1.036 3.620) 4.171 8.248 ( 6.101 3.523 0.771) 7.087 8.684 ( 4.651 2.685 3.075) 6.188 9.308 ( 10.811 6.242 4.288) 13.200 9.825 ( 8.154 4.708 3.863) 10.177 10.756 ( -11.531 -6.657 11.140) 17.361 10.762 ( -8.618 -4.975 -13.473) 16.750 13.086 ( 1.636 0.944 -6.719) 6.980 13.112 ( -0.756 -0.436 -2.473) 2.622 ======================= Grid point 139 (41/146) ======================= q-point: ( 0.45 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.670 ( 15.590 9.001 1.275) 18.046 1.706 ( 8.248 4.762 5.928) 11.219 2.289 ( -6.014 -3.472 1.692) 7.147 2.292 ( -2.460 -1.421 2.421) 3.733 2.931 ( -9.315 -5.378 -10.831) 15.265 3.103 ( -10.328 -5.963 -1.972) 12.087 4.098 ( 0.721 0.416 0.683) 1.077 4.210 ( -1.603 -0.925 1.713) 2.522 4.505 ( 7.502 4.332 8.333) 12.020 4.759 ( -0.794 -0.458 -2.397) 2.566 4.897 ( 8.529 4.924 -6.957) 12.057 5.467 ( 10.159 5.866 -4.408) 12.532 5.506 ( -3.469 -2.003 -8.584) 9.473 5.761 ( -1.107 -0.639 2.224) 2.565 5.823 ( -7.890 -4.555 1.648) 9.258 6.107 ( -4.874 -2.814 9.632) 11.156 6.189 ( -2.702 -1.560 -1.493) 3.458 6.572 ( -6.950 -4.013 8.470) 11.669 7.335 ( 0.188 0.109 -3.636) 3.643 7.470 ( -0.679 -0.392 4.787) 4.851 7.696 ( 2.338 1.350 0.555) 2.756 7.725 ( 0.933 0.539 2.545) 2.764 8.387 ( 7.137 4.120 -1.921) 8.462 8.754 ( 0.601 0.347 0.711) 0.993 9.573 ( 11.520 6.651 4.394) 14.009 10.010 ( 5.156 2.977 8.654) 10.504 10.486 ( -9.051 -5.226 -14.987) 18.272 10.592 ( -9.835 -5.678 11.612) 16.242 13.079 ( 1.304 0.753 -5.620) 5.818 13.086 ( 0.045 0.026 -3.293) 3.293 ======================= Grid point 140 (42/146) ======================= q-point: ( 0.55 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.823 ( 2.149 1.241 1.623) 2.965 1.883 ( 0.962 0.555 1.795) 2.111 2.198 ( 0.489 0.282 -2.917) 2.971 2.373 ( 2.903 1.676 5.819) 6.715 2.727 ( -2.020 -1.166 -6.484) 6.891 2.890 ( -6.540 -3.776 -1.517) 7.703 4.116 ( 1.016 0.587 -0.148) 1.183 4.184 ( -1.607 -0.928 1.273) 2.250 4.682 ( -5.115 -2.953 -3.273) 6.752 4.695 ( 5.643 3.258 2.947) 7.151 5.117 ( 14.408 8.319 -2.554) 16.832 5.327 ( -9.351 -5.399 -7.055) 12.898 5.571 ( 3.970 2.292 -10.406) 11.371 5.622 ( -6.450 -3.724 -6.383) 9.809 5.806 ( 2.882 1.664 4.675) 5.739 6.131 ( -2.976 -1.718 14.080) 14.493 6.162 ( 1.434 0.828 -0.037) 1.657 6.472 ( -7.020 -4.053 10.507) 13.270 7.309 ( 0.270 0.156 -4.986) 4.996 7.483 ( -0.955 -0.552 4.903) 5.025 7.744 ( 0.917 0.529 2.417) 2.639 7.748 ( -0.037 -0.021 2.418) 2.418 8.503 ( 5.461 3.153 -5.804) 8.570 8.715 ( -3.942 -2.276 -1.385) 4.757 9.830 ( 9.673 5.585 4.283) 11.963 10.073 ( -6.040 -3.487 9.161) 11.514 10.225 ( -6.317 -3.647 -13.854) 15.657 10.553 ( 0.605 0.349 13.108) 13.126 13.076 ( 1.288 0.744 -4.279) 4.530 13.076 ( 1.177 0.680 -4.130) 4.348 ======================= Grid point 141 (43/146) ======================= q-point: (-0.36 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.795 ( -8.266 -4.772 0.041) 9.545 1.807 ( -5.103 -2.946 -2.803) 6.525 2.181 ( -0.305 -0.176 -3.393) 3.411 2.383 ( -1.605 -0.927 6.719) 6.970 2.834 ( 10.505 6.065 -1.282) 12.198 2.923 ( 9.538 5.507 1.055) 11.064 4.139 ( 1.123 0.648 -0.160) 1.307 4.156 ( -1.895 -1.094 0.422) 2.229 4.498 ( -9.902 -5.717 -2.979) 11.816 4.779 ( 2.400 1.386 -1.798) 3.303 5.092 ( -7.841 -4.527 -4.014) 9.904 5.367 ( 8.622 4.978 -7.358) 12.380 5.484 ( -3.072 -1.774 -9.601) 10.235 5.602 ( 6.513 3.761 -6.302) 9.812 5.878 ( 2.246 1.297 2.459) 3.574 6.076 ( -9.490 -5.479 11.508) 15.890 6.267 ( 6.858 3.959 3.579) 8.690 6.448 ( -2.223 -1.283 13.278) 13.523 7.295 ( 1.159 0.669 -4.661) 4.849 7.481 ( -2.017 -1.165 3.528) 4.227 7.757 ( -1.173 -0.677 2.652) 2.978 7.760 ( -0.332 -0.191 3.255) 3.277 8.528 ( 1.415 0.817 -10.459) 10.586 8.582 ( -7.282 -4.204 -2.246) 8.703 9.904 ( -13.453 -7.767 8.870) 17.888 9.928 ( -1.405 -0.811 -6.094) 6.306 10.172 ( 6.990 4.035 0.193) 8.073 10.728 ( 6.811 3.932 12.482) 14.753 13.084 ( 1.550 0.895 -3.067) 3.551 13.084 ( 2.165 1.250 -4.849) 5.456 ======================= Grid point 142 (44/146) ======================= q-point: (-0.27 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( -16.157 -9.328 -3.644) 19.009 1.572 ( -13.728 -7.926 -4.357) 16.439 2.281 ( 10.921 6.305 1.560) 12.707 2.396 ( -5.060 -2.921 7.863) 9.796 3.052 ( 11.032 6.370 -2.152) 12.919 3.201 ( 14.122 8.153 1.884) 16.415 4.071 ( -5.884 -3.397 -1.230) 6.904 4.157 ( 0.643 0.371 -0.244) 0.781 4.336 ( -2.385 -1.377 0.423) 2.786 4.782 ( -0.541 -0.313 -3.280) 3.339 4.970 ( -2.557 -1.476 -2.119) 3.634 5.349 ( -4.390 -2.535 -9.904) 11.126 5.394 ( 2.506 1.447 -12.877) 13.198 5.724 ( 4.535 2.618 -1.395) 5.419 5.920 ( -10.644 -6.145 10.863) 16.403 5.988 ( 8.190 4.728 -1.412) 9.561 6.455 ( 7.408 4.277 6.594) 10.800 6.496 ( -1.412 -0.815 12.444) 12.550 7.300 ( 1.716 0.991 -3.951) 4.420 7.430 ( -4.228 -2.441 1.336) 5.062 7.724 ( -3.324 -1.919 1.900) 4.282 7.780 ( 0.134 0.078 4.283) 4.286 8.399 ( -8.396 -4.847 -2.135) 9.927 8.450 ( -1.473 -0.851 -12.822) 12.934 9.651 ( -15.107 -8.722 8.753) 19.517 9.856 ( -0.282 -0.163 -7.057) 7.064 10.361 ( 7.645 4.414 5.291) 10.292 10.947 ( 6.974 4.026 9.964) 12.812 13.104 ( 1.765 1.019 -2.014) 2.865 13.106 ( 2.836 1.638 -5.689) 6.564 ======================= Grid point 143 (45/146) ======================= q-point: (-0.18 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( -18.206 -10.511 -2.863) 21.216 1.219 ( -17.081 -9.862 -3.298) 19.997 2.146 ( -22.463 -12.969 5.309) 26.476 2.611 ( 17.683 10.209 2.827) 20.614 3.289 ( 12.740 7.355 -3.135) 15.041 3.497 ( 12.187 7.036 1.993) 14.213 3.993 ( -0.551 -0.318 2.391) 2.474 4.163 ( 0.193 0.111 -0.415) 0.471 4.360 ( 2.726 1.574 0.740) 3.233 4.721 ( -3.257 -1.880 -3.086) 4.864 4.918 ( -1.784 -1.030 -5.130) 5.528 5.202 ( -4.203 -2.427 -3.650) 6.073 5.368 ( 2.271 1.311 -11.231) 11.533 5.780 ( -8.786 -5.072 10.939) 14.919 5.785 ( 3.241 1.871 -2.925) 4.750 6.156 ( 8.065 4.657 -3.099) 9.815 6.522 ( -2.538 -1.465 9.821) 10.249 6.639 ( 5.852 3.379 6.487) 9.367 7.315 ( 1.705 0.984 -3.515) 4.029 7.327 ( -5.603 -3.235 0.448) 6.485 7.645 ( -4.694 -2.710 1.108) 5.533 7.812 ( 0.308 0.178 4.071) 4.086 8.219 ( -7.395 -4.269 -1.461) 8.663 8.343 ( -1.288 -0.743 -10.747) 10.849 9.387 ( -14.688 -8.480 8.656) 19.042 9.830 ( 1.543 0.891 -7.348) 7.560 10.539 ( 5.488 3.168 7.671) 9.950 11.130 ( 5.488 3.168 6.640) 9.178 13.132 ( 3.060 1.766 -6.778) 7.644 13.132 ( 1.760 1.016 -1.259) 2.391 ======================= Grid point 144 (46/146) ======================= q-point: (-0.09 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.741 ( -17.539 -10.126 1.838) 20.336 0.824 ( -18.746 -10.823 -2.068) 21.744 1.584 ( -32.704 -18.882 8.525) 38.714 3.009 ( 17.921 10.347 1.098) 20.722 3.518 ( 10.954 6.324 -6.037) 14.016 3.715 ( 7.218 4.167 0.774) 8.370 4.065 ( 4.300 2.483 5.636) 7.511 4.165 ( 0.275 0.159 -0.319) 0.450 4.415 ( 1.606 0.927 -0.781) 2.012 4.620 ( -4.590 -2.650 -1.365) 5.474 4.788 ( -5.568 -3.215 -9.142) 11.177 5.189 ( 2.268 1.309 6.811) 7.297 5.358 ( 2.348 1.356 -7.971) 8.419 5.689 ( -6.826 -3.941 14.858) 16.819 5.840 ( 4.103 2.369 -4.164) 6.307 6.272 ( 4.554 2.629 -2.753) 5.935 6.508 ( -3.400 -1.963 6.754) 7.812 6.762 ( 3.060 1.766 2.405) 4.274 7.229 ( -3.718 -2.147 2.032) 4.750 7.324 ( 1.059 0.612 -3.647) 3.847 7.560 ( -3.790 -2.188 2.464) 5.023 7.834 ( -0.243 -0.140 2.535) 2.550 8.079 ( -5.327 -3.075 -0.237) 6.155 8.278 ( 0.154 0.089 -6.558) 6.560 9.149 ( -12.472 -7.201 8.494) 16.720 9.801 ( 0.565 0.326 -14.533) 14.547 10.696 ( 4.164 2.404 13.071) 13.927 11.253 ( 3.326 1.920 3.004) 4.876 13.148 ( 2.681 1.548 -8.612) 9.151 13.160 ( 1.425 0.823 -0.807) 1.833 ======================= Grid point 147 (47/146) ======================= q-point: ( 0.18 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.705 ( -0.000 4.013 20.170) 20.565 0.776 ( -0.000 7.394 21.019) 22.282 1.433 ( -0.000 25.507 27.647) 37.616 3.239 ( 0.000 -11.550 -7.697) 13.879 3.438 ( 0.000 -7.561 -13.208) 15.219 3.643 ( 0.000 1.445 -11.546) 11.636 4.223 ( -0.000 -0.843 3.875) 3.966 4.230 ( -0.000 -1.528 1.195) 1.940 4.389 ( 0.000 1.567 -0.913) 1.813 4.583 ( -0.000 1.068 2.798) 2.994 4.600 ( -0.000 2.495 0.921) 2.659 5.331 ( 0.000 -8.117 -1.198) 8.205 5.515 ( -0.000 -4.030 6.794) 7.899 5.788 ( 0.000 -4.093 -7.465) 8.513 6.275 ( 0.000 -2.698 -3.276) 4.244 6.298 ( -0.000 -15.030 16.535) 22.346 6.554 ( -0.000 2.710 4.569) 5.312 6.793 ( 0.000 -2.499 -1.154) 2.753 7.252 ( 0.000 2.109 -1.652) 2.679 7.260 ( -0.000 4.158 4.180) 5.895 7.661 ( -0.000 -2.503 4.862) 5.469 7.814 ( 0.000 2.609 -1.828) 3.186 8.053 ( -0.000 1.730 4.166) 4.511 8.208 ( 0.000 1.255 -2.191) 2.525 9.163 ( 0.000 16.442 -6.595) 17.715 9.176 ( -0.000 12.299 13.867) 18.536 11.082 ( 0.000 -7.951 -2.303) 8.278 11.253 ( 0.000 1.337 -4.879) 5.059 12.985 ( 0.000 -3.176 -3.483) 4.714 13.161 ( 0.000 -1.347 -1.408) 1.948 ======================= Grid point 148 (48/146) ======================= q-point: ( 0.27 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.900 ( 4.840 9.720 13.867) 17.613 1.039 ( 7.822 7.497 18.130) 21.121 1.914 ( 10.907 21.878 20.890) 32.156 2.957 ( -12.848 -11.986 -7.300) 19.027 3.312 ( 1.114 -8.161 -12.683) 15.123 3.534 ( -3.618 -3.381 -11.518) 12.537 4.160 ( -4.978 -1.466 4.435) 6.826 4.261 ( 0.230 -0.616 2.186) 2.283 4.408 ( -0.072 0.815 -0.059) 0.820 4.626 ( 3.435 -0.638 -0.026) 3.494 4.662 ( 4.500 2.727 -0.831) 5.327 5.192 ( -3.853 -6.666 -1.183) 7.790 5.540 ( 3.810 -8.798 3.169) 10.098 5.730 ( 3.287 -5.189 -2.176) 6.516 6.105 ( -11.123 2.209 4.390) 12.160 6.344 ( 0.917 -7.206 7.477) 10.424 6.575 ( -5.497 3.732 0.715) 6.683 6.747 ( -2.226 0.486 0.611) 2.359 7.236 ( 0.030 1.564 1.119) 1.923 7.387 ( 4.901 2.182 2.797) 6.050 7.676 ( -1.887 0.897 6.868) 7.179 7.754 ( -5.938 4.488 -3.656) 8.293 8.108 ( 2.392 1.286 3.160) 4.167 8.340 ( 14.308 -3.431 -0.351) 14.718 9.193 ( -3.245 13.466 2.274) 14.036 9.510 ( 10.709 10.820 7.084) 16.791 10.976 ( -3.796 -4.709 -4.392) 7.475 11.141 ( -10.545 -0.121 -1.637) 10.672 12.964 ( 4.913 -4.878 -5.672) 8.951 13.131 ( -0.362 -2.161 -2.091) 3.029 ======================= Grid point 149 (49/146) ======================= q-point: ( 0.36 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( 10.910 11.120 7.387) 17.241 1.357 ( 10.985 7.419 14.256) 19.467 2.322 ( 5.510 12.028 11.904) 17.797 2.598 ( -13.677 -10.015 -4.735) 17.601 3.150 ( -3.343 -7.521 -11.859) 14.435 3.346 ( -5.230 -7.374 -9.081) 12.814 4.116 ( -3.034 -0.427 5.092) 5.943 4.260 ( -1.109 -0.315 1.997) 2.306 4.402 ( -0.330 0.121 1.842) 1.875 4.658 ( 4.089 -3.558 -2.651) 6.034 4.750 ( 4.154 3.003 -3.981) 6.490 5.157 ( 5.436 -1.917 -0.612) 5.797 5.507 ( 2.683 -6.526 -3.352) 7.812 5.761 ( 4.355 -6.622 5.443) 9.615 6.013 ( -7.567 4.897 1.338) 9.112 6.304 ( -5.150 -3.298 5.697) 8.358 6.436 ( -10.673 -0.468 -1.745) 10.825 6.744 ( -3.651 2.142 4.382) 6.093 7.277 ( 3.011 -0.881 1.174) 3.350 7.477 ( 1.102 2.193 2.156) 3.266 7.672 ( -2.113 2.523 1.837) 3.769 7.738 ( -1.894 5.624 2.036) 6.273 8.190 ( 4.820 0.969 1.658) 5.188 8.530 ( 13.178 -4.078 0.269) 13.797 9.318 ( 3.203 10.070 2.397) 10.835 9.799 ( 7.309 10.224 10.733) 16.527 10.806 ( -9.005 -0.680 -11.779) 14.842 10.947 ( -12.027 -4.487 6.554) 14.413 12.969 ( 5.680 -4.204 -7.017) 9.959 13.088 ( -0.163 -2.602 -3.079) 4.034 ======================= Grid point 150 (50/146) ======================= q-point: ( 0.45 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.513 ( 13.719 8.410 3.684) 16.508 1.668 ( 9.779 7.255 9.156) 15.235 2.318 ( -7.396 -6.782 0.581) 10.051 2.426 ( -6.281 2.222 3.187) 7.385 2.931 ( -6.722 -7.365 -10.400) 14.408 3.141 ( -5.699 -8.743 -6.790) 12.451 4.104 ( -0.663 -0.785 1.697) 1.984 4.240 ( -2.009 -0.724 1.057) 2.383 4.485 ( 5.519 3.536 6.285) 9.081 4.675 ( 4.996 -4.414 -3.249) 7.416 4.807 ( 4.071 4.190 -5.412) 7.963 5.250 ( 8.481 -3.909 -4.625) 10.421 5.516 ( 4.159 1.809 -1.198) 4.690 5.774 ( -0.600 -3.431 3.444) 4.898 5.947 ( -6.474 0.343 0.250) 6.488 6.137 ( -9.550 -4.371 -2.860) 10.885 6.334 ( -5.785 2.106 9.045) 10.941 6.700 ( -6.493 -0.456 5.245) 8.359 7.305 ( 1.225 -1.378 -0.809) 2.014 7.480 ( -0.334 -2.019 1.336) 2.444 7.723 ( 0.092 6.620 1.730) 6.843 7.779 ( -1.520 4.748 4.663) 6.826 8.297 ( 6.684 1.463 -0.412) 6.855 8.663 ( 8.086 -3.759 -1.243) 9.003 9.499 ( 8.436 5.261 3.525) 10.548 10.056 ( 3.864 10.042 13.025) 16.894 10.547 ( -12.327 0.680 -15.122) 19.521 10.773 ( -10.663 -5.481 10.382) 15.859 12.980 ( 5.118 -2.938 -6.821) 9.019 13.046 ( 0.672 -2.536 -4.231) 4.978 ======================= Grid point 151 (51/146) ======================= q-point: ( 0.55 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.775 ( 8.926 1.978 3.039) 9.635 1.870 ( 3.378 5.802 2.053) 7.021 2.197 ( -3.793 -5.888 1.674) 7.202 2.386 ( -0.166 2.909 3.618) 4.645 2.716 ( -4.310 -4.654 -7.058) 9.490 2.921 ( -6.220 -8.065 -5.609) 11.628 4.106 ( 0.851 -0.181 -0.065) 0.872 4.204 ( -1.633 -1.446 0.570) 2.254 4.609 ( 4.805 -2.869 -4.175) 6.982 4.682 ( 1.617 -1.811 1.308) 2.758 4.966 ( 11.630 7.775 -1.424) 14.061 5.273 ( 4.333 -3.368 -7.068) 8.948 5.578 ( -6.223 4.641 -3.795) 8.641 5.731 ( -7.778 0.748 -3.651) 8.625 5.781 ( -1.277 -2.322 3.196) 4.152 6.050 ( 3.514 -5.941 2.785) 7.444 6.348 ( -4.914 4.553 10.131) 12.146 6.603 ( -7.467 -3.623 7.373) 11.102 7.284 ( -0.612 -0.076 -3.658) 3.710 7.480 ( 1.866 -4.004 3.341) 5.539 7.767 ( -1.584 3.614 1.606) 4.260 7.834 ( -2.162 5.971 5.384) 8.325 8.406 ( 5.951 1.852 -3.849) 7.326 8.692 ( 1.639 -3.874 -2.988) 5.159 9.715 ( 11.536 1.062 5.016) 12.624 10.177 ( -6.324 0.015 2.070) 6.654 10.312 ( -9.230 5.058 -4.032) 11.271 10.673 ( -4.767 0.355 11.815) 12.746 12.996 ( 4.360 -1.676 -5.794) 7.443 13.016 ( 1.963 -1.936 -5.361) 6.028 ======================= Grid point 152 (52/146) ======================= q-point: (-0.36 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.841 ( -5.971 -2.704 -0.556) 6.578 1.877 ( -1.224 -0.640 2.035) 2.459 2.126 ( -0.704 -4.808 -3.624) 6.062 2.424 ( 1.175 -0.714 4.859) 5.050 2.699 ( 5.916 -0.505 -1.802) 6.205 2.860 ( 6.703 5.172 -1.263) 8.560 4.118 ( 1.005 -0.748 -0.947) 1.571 4.177 ( -0.743 -0.469 0.481) 1.001 4.532 ( -2.936 -8.073 -3.285) 9.197 4.723 ( 3.078 1.558 -4.066) 5.332 5.136 ( 1.300 -1.492 -5.984) 6.303 5.247 ( -4.981 0.533 -1.409) 5.204 5.451 ( 4.666 3.923 -5.653) 8.314 5.616 ( -6.923 6.835 -7.967) 12.574 5.837 ( 3.652 -3.848 4.004) 6.647 6.133 ( 5.703 -2.271 7.546) 9.728 6.328 ( -7.833 1.650 6.437) 10.272 6.545 ( -1.895 -2.900 11.903) 12.397 7.258 ( 0.309 0.315 -4.086) 4.110 7.495 ( 1.368 -3.494 3.476) 5.115 7.769 ( -2.397 1.401 1.836) 3.328 7.871 ( -3.583 5.011 5.051) 7.967 8.445 ( 1.750 0.460 -8.369) 8.563 8.619 ( -3.512 -3.561 -3.578) 6.149 9.886 ( 3.326 -1.482 -0.947) 3.763 10.031 ( -1.969 -3.374 -0.876) 4.003 10.199 ( -9.896 0.482 7.553) 12.458 10.787 ( 2.712 7.842 11.538) 14.212 13.005 ( 3.265 -1.109 -6.373) 7.246 13.022 ( 3.697 -0.373 -4.468) 5.811 ======================= Grid point 153 (53/146) ======================= q-point: (-0.27 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( -12.282 -9.490 -2.417) 15.708 1.732 ( -14.101 -2.807 -2.745) 14.637 2.144 ( 9.885 -0.823 0.871) 9.958 2.493 ( -0.031 1.917 7.360) 7.606 2.855 ( 14.016 -0.629 -0.724) 14.049 3.095 ( 11.529 10.268 -1.061) 15.475 4.098 ( -1.148 -2.364 -1.494) 3.023 4.174 ( -1.101 1.104 0.241) 1.577 4.378 ( -5.266 -4.734 0.089) 7.082 4.737 ( 0.977 -0.298 -5.249) 5.348 4.983 ( -5.630 -2.959 -3.547) 7.283 5.209 ( 2.634 -2.084 -6.451) 7.273 5.498 ( -7.144 9.037 -12.552) 17.037 5.633 ( 6.901 4.020 -1.853) 8.198 5.896 ( 5.859 -1.155 3.169) 6.760 6.105 ( -9.984 -4.411 7.945) 13.500 6.373 ( 6.936 -2.260 9.248) 11.779 6.600 ( 0.307 0.573 10.616) 10.636 7.252 ( 1.492 0.092 -3.386) 3.701 7.492 ( -1.450 -1.132 2.148) 2.828 7.735 ( -3.209 -1.736 1.681) 4.017 7.878 ( -3.962 3.751 4.407) 7.013 8.374 ( -1.987 -1.946 -9.560) 9.956 8.489 ( -6.711 -1.299 -4.396) 8.127 9.818 ( -1.906 0.268 -7.919) 8.150 9.889 ( -14.608 -6.324 8.910) 18.241 10.278 ( 9.481 -0.495 8.487) 12.734 10.975 ( 3.799 7.000 8.654) 11.761 13.017 ( 3.945 0.216 -7.257) 8.263 13.055 ( 3.268 0.524 -3.159) 4.575 ======================= Grid point 154 (54/146) ======================= q-point: (-0.18 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( -16.185 -9.248 -0.877) 18.661 1.426 ( -18.159 -3.525 -2.353) 18.647 2.390 ( 11.571 1.722 3.401) 12.183 2.436 ( -8.558 -2.484 5.491) 10.467 3.087 ( 15.434 1.875 -2.095) 15.688 3.361 ( 12.703 7.369 -2.047) 14.828 4.031 ( -3.137 -0.943 1.340) 3.539 4.169 ( -0.292 0.641 0.857) 1.109 4.341 ( 1.636 0.008 1.079) 1.960 4.682 ( -1.142 -4.083 -3.872) 5.741 4.917 ( -0.207 0.931 -4.670) 4.766 5.192 ( -0.051 -0.191 -3.373) 3.379 5.385 ( -6.544 8.316 -11.675) 15.757 5.710 ( 3.869 0.588 -3.933) 5.548 5.945 ( -8.967 -5.475 10.793) 15.063 6.053 ( 8.145 2.641 1.068) 8.629 6.494 ( 5.554 -7.126 9.215) 12.905 6.678 ( 1.132 1.920 6.930) 7.279 7.264 ( 1.959 0.130 -2.352) 3.063 7.449 ( -6.164 2.758 0.821) 6.802 7.655 ( -3.143 -5.787 1.194) 6.693 7.873 ( -2.839 1.906 3.261) 4.725 8.264 ( -3.742 -2.206 -5.159) 6.744 8.350 ( -6.380 1.906 -5.274) 8.494 9.626 ( -16.219 -6.960 8.191) 19.458 9.775 ( -0.112 2.047 -7.195) 7.481 10.480 ( 9.705 -1.962 10.149) 14.179 11.124 ( 3.895 3.217 4.496) 6.763 13.044 ( 3.868 2.008 -7.902) 9.024 13.095 ( 2.768 1.000 -2.156) 3.648 ======================= Grid point 155 (55/146) ======================= q-point: (-0.09 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( -17.211 -4.329 4.424) 18.290 1.080 ( -20.775 -2.145 -0.872) 20.904 2.043 ( -30.129 -7.236 9.017) 32.271 2.752 ( 21.120 2.025 0.023) 21.217 3.330 ( 13.955 3.499 -4.960) 15.218 3.585 ( 11.362 2.093 -3.384) 12.039 4.032 ( 2.049 -1.744 3.893) 4.732 4.188 ( 0.290 1.661 1.725) 2.413 4.390 ( 2.405 0.648 0.186) 2.498 4.614 ( -0.893 -2.263 -1.106) 2.673 4.865 ( -6.143 4.034 -7.277) 10.342 5.174 ( 0.434 -0.340 0.447) 0.710 5.344 ( -0.466 7.222 -5.300) 8.970 5.756 ( 4.399 1.445 -4.978) 6.799 5.844 ( -6.277 -5.380 14.524) 16.712 6.202 ( 6.412 2.726 -0.165) 6.970 6.528 ( 1.440 -7.422 7.084) 10.361 6.738 ( 2.205 -1.227 2.252) 3.382 7.279 ( 0.312 0.009 -1.507) 1.539 7.367 ( -7.466 4.300 0.920) 8.665 7.577 ( -1.265 -5.074 2.815) 5.939 7.856 ( -1.614 -1.229 0.949) 2.239 8.149 ( -5.951 -0.924 -1.176) 6.136 8.292 ( -2.558 5.836 -2.706) 6.923 9.357 ( -15.215 -7.742 8.074) 18.885 9.743 ( -1.342 3.505 -10.978) 11.602 10.668 ( 8.594 -2.888 12.400) 15.361 11.206 ( 3.981 -1.855 -0.272) 4.400 13.078 ( 2.787 4.314 -8.355) 9.807 13.132 ( 2.167 0.966 -1.483) 2.798 ======================= Grid point 159 (56/146) ======================= q-point: ( 0.27 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.041 ( -0.000 8.852 14.668) 17.132 1.167 ( -0.000 8.836 18.619) 20.609 2.159 ( -0.000 22.965 16.281) 28.151 2.914 ( 0.000 -14.024 -5.998) 15.253 3.140 ( 0.000 -6.930 -12.644) 14.418 3.434 ( 0.000 -7.206 -14.339) 16.048 4.223 ( -0.000 -0.488 2.386) 2.436 4.255 ( -0.000 -1.510 3.813) 4.101 4.432 ( -0.000 1.565 1.996) 2.537 4.580 ( 0.000 -3.208 -1.642) 3.604 4.638 ( -0.000 1.640 -0.130) 1.645 5.133 ( 0.000 -9.240 -3.133) 9.757 5.456 ( -0.000 -10.842 8.098) 13.532 5.620 ( 0.000 -4.230 -5.613) 7.029 6.213 ( 0.000 0.235 -3.535) 3.543 6.336 ( -0.000 -3.399 12.018) 12.489 6.724 ( -0.000 9.231 3.810) 9.986 6.736 ( 0.000 -0.260 -3.186) 3.196 7.231 ( 0.000 -1.662 -1.259) 2.085 7.414 ( -0.000 4.478 7.189) 8.469 7.755 ( -0.000 3.277 7.105) 7.824 7.850 ( 0.000 3.826 -1.763) 4.212 8.125 ( -0.000 1.048 2.844) 3.031 8.153 ( 0.000 -3.420 -1.454) 3.716 9.297 ( 0.000 7.065 -4.576) 8.417 9.647 ( -0.000 17.384 17.729) 24.830 10.949 ( 0.000 -2.115 -5.152) 5.569 11.215 ( 0.000 1.161 -5.101) 5.232 12.825 ( 0.000 -8.483 -3.922) 9.346 13.092 ( 0.000 -3.647 -2.781) 4.587 ======================= Grid point 160 (57/146) ======================= q-point: ( 0.36 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( 3.875 10.248 11.043) 15.556 1.391 ( 4.774 7.861 16.535) 18.921 2.448 ( 2.261 14.842 7.890) 16.960 2.663 ( -9.805 -11.544 -4.567) 15.820 3.034 ( 1.030 -5.963 -9.760) 11.483 3.246 ( -1.869 -10.814 -13.954) 17.752 4.194 ( -4.124 -2.196 3.644) 5.925 4.270 ( 0.798 -0.731 2.570) 2.789 4.432 ( -1.968 0.044 1.486) 2.467 4.548 ( 2.822 -5.268 -2.874) 6.631 4.689 ( 3.618 2.001 -0.922) 4.236 5.059 ( 2.457 -4.406 -1.056) 5.154 5.406 ( 1.019 -8.145 2.853) 8.690 5.624 ( 6.705 -5.002 0.403) 8.375 6.138 ( -6.048 0.455 -2.484) 6.554 6.384 ( 0.199 -2.222 9.282) 9.546 6.612 ( -11.320 4.107 -4.475) 12.847 6.838 ( -1.205 5.900 2.980) 6.719 7.223 ( 2.144 -2.211 -0.129) 3.083 7.510 ( 0.835 3.509 5.560) 6.627 7.771 ( -4.833 1.249 4.739) 6.883 7.851 ( -2.535 7.266 1.798) 7.902 8.130 ( 3.094 -1.720 0.491) 3.574 8.282 ( 12.753 -1.861 0.290) 12.892 9.343 ( 2.121 4.764 -1.890) 5.546 9.940 ( 2.478 17.203 17.385) 24.583 10.863 ( -5.330 0.804 -8.738) 10.267 11.115 ( -9.150 -0.768 -1.130) 9.251 12.773 ( 6.094 -8.366 -4.774) 11.398 13.034 ( 0.123 -4.654 -3.723) 5.961 ======================= Grid point 161 (58/146) ======================= q-point: ( 0.45 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( 6.594 9.352 7.153) 13.495 1.652 ( 8.110 6.895 12.568) 16.470 2.383 ( -9.022 -7.779 -1.776) 12.044 2.553 ( -4.285 3.362 0.480) 5.468 2.896 ( -5.018 -7.967 -7.922) 12.305 3.051 ( -0.954 -9.107 -10.697) 14.081 4.117 ( -2.494 -3.929 0.470) 4.677 4.263 ( -1.589 -2.449 -0.072) 2.920 4.456 ( 3.267 0.367 0.931) 3.417 4.546 ( 4.463 -3.383 0.460) 5.619 4.755 ( 3.442 3.218 -1.825) 5.053 5.111 ( 4.894 0.088 -0.969) 4.990 5.417 ( 6.396 -3.763 2.687) 7.893 5.700 ( 6.593 -5.594 3.794) 9.442 6.024 ( -5.929 0.098 -3.096) 6.690 6.364 ( -14.925 4.219 -0.821) 15.531 6.445 ( -3.453 -1.190 4.453) 5.759 6.834 ( -6.074 3.179 2.345) 7.245 7.253 ( 3.404 -2.510 1.217) 4.401 7.502 ( -4.418 -0.957 -0.219) 4.526 7.808 ( 0.061 6.624 4.601) 8.065 7.893 ( -2.170 5.935 4.943) 8.023 8.191 ( 6.439 -1.800 -0.214) 6.690 8.463 ( 11.544 -2.136 -0.584) 11.755 9.432 ( 5.618 2.161 0.866) 6.081 10.226 ( 1.330 15.477 16.006) 22.305 10.677 ( -11.755 3.793 -14.358) 18.939 10.947 ( -10.229 -4.004 6.624) 12.827 12.792 ( 8.146 -6.093 -5.653) 11.638 12.972 ( 0.862 -4.853 -4.751) 6.846 ======================= Grid point 162 (59/146) ======================= q-point: ( 0.55 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( 7.491 4.836 4.620) 10.042 1.891 ( 5.345 6.667 6.308) 10.621 2.214 ( -4.692 -6.757 1.530) 8.367 2.472 ( -5.536 0.621 0.420) 5.586 2.682 ( -4.001 -8.142 -7.093) 11.516 2.881 ( -4.194 -7.404 -7.871) 11.592 4.072 ( 1.098 -2.872 -1.358) 3.361 4.207 ( -0.741 -3.553 -1.445) 3.907 4.468 ( 2.914 -4.233 -4.694) 6.960 4.630 ( 4.329 -0.755 1.163) 4.546 4.884 ( 7.562 7.277 1.441) 10.593 5.163 ( 3.478 1.129 -3.258) 4.897 5.554 ( 8.858 -2.614 5.142) 10.571 5.759 ( 2.141 -1.395 2.706) 3.722 5.930 ( -5.482 -0.164 -1.609) 5.715 6.081 ( -17.204 3.308 -4.461) 18.078 6.463 ( -0.387 -1.410 8.608) 8.731 6.746 ( -8.773 0.324 2.546) 9.141 7.278 ( 0.499 -0.824 -0.059) 0.965 7.425 ( -0.432 -4.138 -0.496) 4.190 7.859 ( -2.773 4.962 2.215) 6.101 7.962 ( -1.670 6.158 6.439) 9.065 8.293 ( 7.773 -0.200 -1.541) 7.927 8.577 ( 6.205 -2.375 -2.390) 7.061 9.572 ( 9.422 -0.694 3.751) 10.165 10.333 ( -12.116 4.801 -6.470) 14.550 10.502 ( -5.965 8.015 5.093) 11.214 10.828 ( -6.398 -0.715 9.617) 11.573 12.842 ( 7.690 -3.447 -5.396) 10.007 12.922 ( 2.109 -4.025 -5.591) 7.205 ======================= Grid point 163 (60/146) ======================= q-point: (-0.36 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.834 ( 5.382 -0.316 2.848) 6.097 1.941 ( -7.062 0.727 0.626) 7.127 2.113 ( -2.948 -3.942 -0.746) 4.979 2.404 ( 0.414 -5.035 3.190) 5.975 2.623 ( 1.190 -0.352 -3.922) 4.114 2.779 ( 5.165 0.981 -2.622) 5.875 4.068 ( 2.309 -2.297 -2.360) 4.022 4.169 ( 0.558 -2.640 -0.811) 2.818 4.435 ( 1.625 -5.399 -3.298) 6.532 4.670 ( 2.464 1.086 -4.004) 4.825 5.054 ( 4.828 2.738 -0.830) 5.612 5.254 ( 7.254 4.442 -2.298) 8.811 5.581 ( -13.061 0.988 -0.768) 13.120 5.705 ( -6.381 -4.092 1.671) 7.762 5.794 ( -0.383 3.866 -1.946) 4.345 6.058 ( 6.391 0.704 4.471) 7.832 6.484 ( -3.618 -0.372 6.050) 7.059 6.616 ( -6.355 -3.788 5.792) 9.396 7.251 ( -1.718 0.626 -2.705) 3.265 7.420 ( 3.983 -5.253 1.541) 6.770 7.860 ( -3.551 3.515 2.083) 5.413 8.003 ( -3.337 3.797 5.056) 7.150 8.382 ( 3.442 2.229 -4.365) 5.989 8.587 ( 0.714 -2.935 -3.293) 4.468 9.753 ( 11.159 -2.786 5.511) 12.753 10.085 ( -11.306 2.224 -12.001) 16.638 10.445 ( -12.620 -1.554 11.382) 17.065 10.892 ( 1.241 7.131 8.927) 11.493 12.894 ( 4.489 -2.006 -5.606) 7.457 12.911 ( 5.357 -1.272 -4.807) 7.309 ======================= Grid point 164 (61/146) ======================= q-point: (-0.27 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.732 ( -11.465 -5.843 -0.816) 12.894 1.903 ( -8.015 0.919 -0.237) 8.071 1.998 ( 3.402 -4.273 0.112) 5.463 2.493 ( 6.594 -0.010 4.770) 8.139 2.645 ( 8.249 -1.520 -1.710) 8.561 2.981 ( 12.252 6.832 -1.484) 14.107 4.067 ( 1.346 -1.342 -1.952) 2.724 4.166 ( 1.723 -1.523 -0.219) 2.310 4.384 ( -1.247 -3.828 -0.334) 4.040 4.692 ( 2.057 2.436 -6.186) 6.959 5.081 ( -4.357 1.062 -2.414) 5.093 5.213 ( -10.896 -0.179 -1.387) 10.985 5.464 ( 3.981 2.975 -6.919) 8.519 5.691 ( -1.880 6.555 -0.195) 6.822 5.819 ( 3.294 -1.148 2.260) 4.156 6.189 ( 3.322 -2.152 5.096) 6.452 6.370 ( -7.203 -4.509 5.979) 10.390 6.618 ( 2.578 -2.995 7.412) 8.400 7.225 ( -0.143 0.743 -2.461) 2.575 7.450 ( 3.771 -3.911 1.272) 5.580 7.831 ( -5.272 2.127 1.990) 6.023 7.992 ( -3.936 1.240 3.426) 5.364 8.369 ( -3.308 2.831 -6.589) 7.897 8.532 ( -2.445 -1.339 -2.706) 3.885 9.830 ( -3.781 1.413 -6.524) 7.671 9.983 ( 3.626 -4.152 3.480) 6.519 10.293 ( -9.165 -3.379 12.141) 15.583 11.025 ( 2.485 4.451 4.826) 7.020 12.914 ( 4.181 0.516 -5.923) 7.268 12.975 ( 5.099 0.673 -3.248) 6.083 ======================= Grid point 165 (62/146) ======================= q-point: (-0.18 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( -14.446 -3.511 1.196) 14.915 1.677 ( -16.442 0.045 -0.842) 16.464 2.155 ( 14.549 -0.640 1.602) 14.651 2.560 ( -1.278 -3.180 3.486) 4.888 2.833 ( 15.646 0.254 -1.065) 15.684 3.210 ( 11.616 4.637 -3.760) 13.061 4.063 ( -0.611 0.095 -0.168) 0.641 4.184 ( 0.815 -0.047 0.970) 1.267 4.333 ( -1.735 -1.425 1.466) 2.682 4.683 ( -2.251 1.455 -4.267) 5.039 4.928 ( -5.751 1.418 -2.204) 6.320 5.189 ( 0.934 2.772 0.312) 2.942 5.465 ( -1.331 5.011 -11.778) 12.869 5.691 ( -3.177 5.219 -2.970) 6.794 5.946 ( 8.588 0.573 4.954) 9.931 6.103 ( -9.265 -5.592 7.563) 13.203 6.372 ( 6.238 -8.403 5.621) 11.879 6.673 ( 2.840 -3.619 4.462) 6.409 7.233 ( 1.191 1.515 -1.227) 2.284 7.480 ( 2.544 -1.949 0.682) 3.277 7.743 ( -8.572 0.143 1.632) 8.727 7.946 ( -3.732 -1.222 1.411) 4.173 8.294 ( -4.304 3.078 -4.469) 6.926 8.457 ( -5.657 2.681 -1.515) 6.441 9.729 ( -4.292 0.957 -8.735) 9.780 9.908 ( -11.520 -4.008 9.719) 15.596 10.349 ( 9.171 -4.249 10.797) 14.790 11.096 ( 2.861 -1.218 -0.579) 3.163 12.965 ( 4.116 3.660 -5.551) 7.819 13.039 ( 3.869 1.553 -2.327) 4.774 ======================= Grid point 166 (63/146) ======================= q-point: (-0.09 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.253 ( -15.393 2.618 5.611) 16.592 1.401 ( -19.408 2.328 0.528) 19.554 2.394 ( -3.410 -5.092 2.356) 6.566 2.435 ( 7.076 -2.425 1.791) 7.691 3.090 ( 16.180 1.677 -2.465) 16.453 3.383 ( 11.121 0.014 -5.869) 12.575 4.043 ( -2.171 -0.669 2.399) 3.303 4.199 ( 0.160 -0.038 2.444) 2.449 4.344 ( 2.735 -0.652 0.671) 2.891 4.639 ( -2.118 3.234 -0.612) 3.914 4.907 ( -0.550 3.389 -4.157) 5.391 5.226 ( -2.652 4.704 0.621) 5.435 5.410 ( -2.764 8.336 -8.105) 11.951 5.690 ( 1.548 2.251 -3.119) 4.146 5.963 ( -6.152 -7.562 10.664) 14.449 6.122 ( 7.112 2.375 3.106) 8.116 6.415 ( 6.367 -9.988 3.402) 12.324 6.686 ( 2.139 -5.785 1.821) 6.431 7.266 ( 1.053 2.041 -0.706) 2.403 7.492 ( -0.997 -0.975 0.164) 1.404 7.614 ( -7.401 0.110 3.459) 8.170 7.871 ( -3.123 -3.755 -0.854) 4.958 8.234 ( -5.147 3.243 -1.825) 6.351 8.417 ( -4.474 7.687 1.894) 9.093 9.548 ( -12.353 -5.347 -0.611) 13.475 9.797 ( -6.043 3.235 1.296) 6.976 10.540 ( 11.178 -5.390 11.315) 16.794 11.089 ( 3.518 -6.574 -5.860) 9.483 13.037 ( 3.274 6.064 -5.475) 8.801 13.094 ( 2.754 1.570 -1.798) 3.644 ======================= Grid point 171 (64/146) ======================= q-point: ( 0.36 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.358 ( -0.000 8.420 10.970) 13.829 1.533 ( -0.000 7.742 16.402) 18.138 2.579 ( -0.000 9.853 -0.774) 9.883 2.606 ( 0.000 -12.813 -3.870) 13.385 2.943 ( 0.000 0.678 -5.866) 5.905 3.059 ( 0.000 -13.499 -14.504) 19.814 4.212 ( 0.000 -6.559 -0.558) 6.583 4.268 ( -0.000 -0.912 5.196) 5.275 4.421 ( 0.000 -7.993 -5.302) 9.592 4.483 ( -0.000 0.714 2.941) 3.026 4.692 ( -0.000 4.417 2.010) 4.853 5.000 ( -0.000 -2.252 0.993) 2.461 5.352 ( -0.000 -9.687 6.419) 11.620 5.525 ( 0.000 -0.130 -3.999) 4.001 6.174 ( 0.000 -1.926 -1.388) 2.374 6.389 ( -0.000 -2.934 5.756) 6.460 6.720 ( 0.000 4.873 -6.248) 7.924 6.945 ( -0.000 9.526 2.747) 9.914 7.181 ( 0.000 -2.188 -0.426) 2.229 7.572 ( -0.000 2.120 8.015) 8.291 7.869 ( -0.000 -3.558 7.286) 8.108 7.915 ( -0.000 4.896 -0.492) 4.920 8.112 ( -0.000 2.656 -0.389) 2.685 8.151 ( -0.000 -0.584 0.570) 0.816 9.346 ( 0.000 2.861 -1.231) 3.115 10.196 ( -0.000 18.084 17.764) 25.350 10.870 ( 0.000 1.866 -7.801) 8.021 11.176 ( 0.000 1.418 -5.133) 5.326 12.610 ( 0.000 -10.102 -2.368) 10.376 12.959 ( 0.000 -6.042 -4.349) 7.445 ======================= Grid point 172 (65/146) ======================= q-point: ( 0.45 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( 3.563 7.502 8.375) 11.794 1.709 ( 2.476 6.003 14.271) 15.679 2.418 ( -6.159 -9.023 -3.030) 11.337 2.600 ( -0.981 1.374 -6.313) 6.535 2.823 ( -3.121 -13.376 -10.293) 17.164 2.957 ( -0.129 2.470 -4.763) 5.367 4.107 ( -2.482 -7.473 -2.035) 8.133 4.228 ( -2.310 -6.822 -2.210) 7.534 4.401 ( 5.398 -2.469 1.609) 6.150 4.498 ( -0.165 -0.129 1.842) 1.854 4.763 ( 0.695 5.930 2.946) 6.658 5.058 ( 4.629 2.004 2.910) 5.823 5.316 ( 2.447 -6.151 3.914) 7.690 5.564 ( 6.368 -1.353 -1.049) 6.595 6.094 ( -5.233 -2.550 -1.251) 5.954 6.417 ( 2.626 -3.645 4.779) 6.559 6.647 ( -10.958 7.384 -6.968) 14.938 6.983 ( -5.894 6.148 1.087) 8.586 7.183 ( 2.534 -2.425 1.023) 3.654 7.588 ( -5.547 -0.522 2.510) 6.111 7.866 ( 2.699 -0.329 8.176) 8.616 7.983 ( 0.368 3.664 1.456) 3.959 8.095 ( 0.718 -0.255 -0.830) 1.127 8.285 ( 10.127 1.266 0.734) 10.232 9.386 ( 2.643 1.653 0.585) 3.172 10.459 ( 0.166 15.888 15.527) 22.215 10.789 ( -6.959 4.257 -11.309) 13.944 11.090 ( -7.643 -0.678 -0.685) 7.704 12.573 ( 7.156 -8.238 -2.087) 11.110 12.879 ( 0.659 -6.217 -4.748) 7.851 ======================= Grid point 173 (66/146) ======================= q-point: ( 0.55 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.684 ( 3.635 5.258 5.737) 8.590 1.896 ( 5.805 4.283 9.877) 12.231 2.245 ( -5.690 -5.510 -1.217) 8.013 2.522 ( -3.563 -4.067 -5.228) 7.521 2.610 ( -2.186 -7.646 -6.551) 10.303 2.884 ( -6.535 -0.881 -4.763) 8.134 4.013 ( 0.179 -5.155 -2.136) 5.583 4.131 ( 0.663 -6.225 -3.707) 7.275 4.433 ( -1.116 -0.915 0.978) 1.744 4.545 ( 5.512 -0.375 -0.828) 5.586 4.873 ( 3.747 6.414 3.813) 8.350 5.132 ( 1.547 0.660 0.429) 1.736 5.410 ( 9.136 -1.982 5.058) 10.629 5.664 ( 7.996 -2.484 2.239) 8.667 5.985 ( -4.523 -0.519 -2.179) 5.047 6.413 ( -14.265 3.568 -4.548) 15.391 6.466 ( -2.914 -1.048 3.952) 5.020 6.909 ( -8.753 3.180 -0.103) 9.314 7.222 ( 4.183 -2.738 1.462) 5.209 7.461 ( -7.580 -2.070 -0.935) 7.913 7.954 ( -1.804 2.502 3.954) 5.015 8.051 ( 1.863 3.731 5.606) 6.987 8.137 ( 8.026 -2.073 -1.568) 8.436 8.447 ( 8.151 0.762 -0.537) 8.204 9.467 ( 5.531 -0.209 2.786) 6.196 10.544 ( -13.707 7.219 -12.025) 19.611 10.693 ( -2.914 8.487 9.170) 12.830 10.968 ( -6.671 -1.738 5.569) 8.862 12.639 ( 9.676 -4.496 -2.514) 10.961 12.818 ( 1.804 -4.740 -4.602) 6.848 ======================= Grid point 174 (67/146) ======================= q-point: ( 0.64 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( 2.667 0.937 3.832) 4.762 2.044 ( -0.344 1.253 0.109) 1.304 2.118 ( -2.886 -1.383 3.258) 4.567 2.354 ( -2.928 -10.020 -2.741) 10.793 2.604 ( 3.441 4.128 -1.274) 5.523 2.728 ( -4.884 -2.079 -3.817) 6.538 3.990 ( 2.485 -2.618 -1.477) 3.900 4.097 ( 2.643 -3.236 -2.516) 4.877 4.403 ( -1.634 -0.951 0.505) 1.957 4.606 ( 3.789 0.881 -4.435) 5.899 5.015 ( 4.463 3.364 2.300) 6.044 5.178 ( 4.407 2.179 -1.493) 5.138 5.543 ( 6.767 -4.746 6.170) 10.314 5.792 ( 6.027 0.373 1.923) 6.337 5.918 ( -5.500 0.883 -1.196) 5.697 6.115 ( -17.515 4.508 -4.128) 18.551 6.491 ( 2.428 -4.101 5.802) 7.509 6.767 ( -10.969 0.209 -0.427) 10.979 7.270 ( 2.124 -0.955 0.826) 2.471 7.340 ( -2.586 -2.755 -1.514) 4.071 7.949 ( -2.805 1.852 2.254) 4.047 8.084 ( -1.560 0.400 1.669) 2.319 8.294 ( 9.322 1.432 1.396) 9.535 8.528 ( 2.549 0.081 -2.467) 3.548 9.595 ( 9.154 -2.293 5.110) 10.732 10.261 ( -16.073 5.571 -15.098) 22.745 10.686 ( -10.754 -1.821 11.894) 16.137 10.967 ( 0.675 3.136 4.366) 5.418 12.748 ( 8.738 -1.057 -2.366) 9.114 12.801 ( 3.258 -1.598 -3.738) 5.210 ======================= Grid point 175 (68/146) ======================= q-point: (-0.27 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.827 ( -2.015 -2.035 1.600) 3.281 1.917 ( -4.228 -2.194 -0.823) 4.834 2.089 ( -9.167 1.556 0.584) 9.316 2.336 ( 10.023 -5.315 0.771) 11.372 2.602 ( -2.176 1.998 0.035) 2.954 2.815 ( 12.196 2.638 -2.068) 12.649 4.020 ( 2.785 0.486 0.054) 2.828 4.111 ( 2.654 -1.065 -1.148) 3.082 4.382 ( -0.821 -0.468 1.651) 1.902 4.638 ( 2.881 2.445 -6.611) 7.615 5.091 ( 1.942 1.795 1.096) 2.863 5.265 ( 4.138 2.180 -5.745) 7.408 5.630 ( -12.944 2.145 3.146) 13.493 5.667 ( -1.713 -4.910 6.624) 8.421 5.849 ( -1.615 4.868 -2.935) 5.909 6.081 ( 6.778 -2.389 -0.897) 7.242 6.504 ( -4.845 -3.804 4.119) 7.410 6.592 ( -4.445 -3.863 1.490) 6.074 7.247 ( -2.547 1.534 -0.655) 3.044 7.351 ( 4.885 -2.705 -0.122) 5.585 7.927 ( -3.447 0.645 2.215) 4.148 8.050 ( -2.398 -1.649 0.036) 2.911 8.423 ( 1.450 5.086 -0.682) 5.332 8.514 ( -0.228 -1.216 -2.090) 2.429 9.767 ( 10.589 -3.520 6.444) 12.886 9.998 ( -11.465 4.453 -12.380) 17.451 10.531 ( -13.511 -4.366 12.790) 19.110 11.018 ( 2.144 -1.140 -0.759) 2.544 12.834 ( 4.060 2.094 -2.479) 5.197 12.872 ( 6.851 1.529 -2.006) 7.300 ======================= Grid point 176 (69/146) ======================= q-point: (-0.18 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( -11.448 1.134 1.097) 11.557 1.924 ( -12.701 1.559 0.697) 12.815 1.974 ( 7.909 -0.491 2.092) 8.195 2.457 ( 9.301 -5.573 -1.388) 10.931 2.656 ( 6.028 2.404 1.494) 6.660 3.015 ( 12.861 0.321 -4.420) 13.603 4.068 ( 0.709 2.150 0.286) 2.282 4.150 ( 3.286 0.387 0.375) 3.330 4.384 ( -1.954 1.261 3.899) 4.540 4.669 ( 2.618 3.493 -6.828) 8.104 5.104 ( -8.555 2.964 -0.270) 9.058 5.224 ( -3.060 2.459 0.090) 3.927 5.442 ( -2.849 2.827 -3.698) 5.457 5.803 ( 0.552 3.661 1.995) 4.205 5.842 ( 3.892 -0.686 2.679) 4.774 6.144 ( 5.663 -5.487 -1.044) 7.954 6.313 ( -10.089 -6.741 3.304) 12.576 6.589 ( 3.682 -6.751 2.075) 7.965 7.244 ( -0.398 2.804 0.403) 2.860 7.404 ( 4.339 -1.419 -0.517) 4.594 7.867 ( -5.640 -1.259 2.086) 6.144 7.980 ( -3.202 -3.516 -1.026) 4.865 8.404 ( -5.955 6.024 -2.300) 8.777 8.528 ( 0.063 2.289 0.656) 2.382 9.788 ( -7.221 3.867 -8.232) 11.613 9.960 ( 6.807 -4.601 5.913) 10.123 10.373 ( -9.219 -4.599 13.426) 16.923 10.997 ( 2.491 -6.809 -6.127) 9.492 12.918 ( 3.943 5.160 -2.058) 6.813 12.976 ( 4.982 2.693 -1.574) 5.878 ======================= Grid point 177 (70/146) ======================= q-point: (-0.09 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.547 ( -11.925 6.322 3.992) 14.075 1.726 ( -16.253 4.282 2.079) 16.936 2.145 ( 12.520 -1.777 1.092) 12.692 2.468 ( 0.444 -7.055 -0.919) 7.128 2.845 ( 14.193 1.746 -0.767) 14.321 3.161 ( 11.171 -2.949 -6.269) 13.145 4.082 ( -0.890 1.437 0.123) 1.695 4.202 ( 1.789 -0.613 1.094) 2.185 4.377 ( -4.671 2.614 5.594) 7.743 4.691 ( 0.083 4.386 -3.880) 5.857 4.969 ( -6.980 4.099 -0.774) 8.132 5.302 ( 1.922 6.351 4.326) 7.921 5.440 ( 0.697 6.234 -8.247) 10.361 5.750 ( -6.476 5.088 -3.127) 8.809 5.958 ( 5.211 -7.027 3.415) 9.391 6.124 ( -3.177 -4.227 9.963) 11.279 6.213 ( 6.423 -7.754 -3.309) 10.599 6.585 ( 3.692 -8.648 1.700) 9.555 7.279 ( 0.429 3.340 0.706) 3.441 7.448 ( 2.991 -1.399 -0.798) 3.397 7.760 ( -7.327 -1.650 2.816) 8.021 7.877 ( -3.636 -4.998 -1.716) 6.415 8.361 ( -6.030 6.891 -1.227) 9.239 8.554 ( -1.931 6.040 2.872) 6.962 9.657 ( -7.827 1.948 -6.340) 10.259 9.964 ( -6.877 -2.141 8.323) 11.007 10.393 ( 7.266 -5.494 11.715) 14.840 10.909 ( 3.108 -10.435 -10.296) 14.985 13.016 ( 3.313 6.269 -2.770) 7.613 13.056 ( 3.143 2.623 -1.588) 4.391 ======================= Grid point 183 (71/146) ======================= q-point: ( 0.45 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.593 ( -0.000 4.543 7.682) 8.925 1.824 ( -0.000 3.964 12.850) 13.448 2.358 ( 0.000 -8.811 -4.461) 9.876 2.569 ( 0.000 1.211 -7.704) 7.799 2.665 ( 0.000 -12.269 -8.221) 14.769 2.995 ( 0.000 6.483 -3.482) 7.359 4.025 ( 0.000 -8.022 -3.842) 8.895 4.242 ( 0.000 -5.902 -2.054) 6.249 4.268 ( -0.000 -4.652 3.192) 5.642 4.524 ( -0.000 -0.411 2.921) 2.950 4.858 ( -0.000 7.775 4.607) 9.037 5.051 ( -0.000 2.373 4.074) 4.715 5.265 ( -0.000 -7.139 4.687) 8.540 5.497 ( 0.000 2.476 -4.596) 5.221 6.102 ( 0.000 -4.806 0.060) 4.806 6.376 ( -0.000 -3.478 2.543) 4.309 6.756 ( 0.000 8.219 -8.316) 11.692 7.080 ( 0.000 2.960 -1.661) 3.394 7.177 ( -0.000 1.773 2.092) 2.742 7.664 ( -0.000 -0.781 4.795) 4.858 7.810 ( -0.000 -7.281 3.655) 8.147 8.016 ( -0.000 4.144 2.643) 4.915 8.125 ( 0.000 -1.527 -0.623) 1.649 8.210 ( -0.000 4.096 1.842) 4.491 9.388 ( -0.000 1.628 1.436) 2.171 10.678 ( -0.000 12.735 12.527) 17.863 10.823 ( 0.000 4.453 -9.770) 10.737 11.141 ( 0.000 1.616 -5.214) 5.459 12.431 ( 0.000 -8.263 1.782) 8.453 12.789 ( 0.000 -5.887 -3.961) 7.096 ======================= Grid point 184 (72/146) ======================= q-point: ( 0.55 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( 3.588 2.240 5.327) 6.802 1.922 ( 1.353 0.390 9.324) 9.430 2.248 ( -1.992 -4.605 -4.181) 6.531 2.488 ( -4.020 -6.085 -4.263) 8.448 2.558 ( 0.296 -0.401 -4.756) 4.782 2.981 ( -5.747 3.908 -4.015) 8.026 3.951 ( 0.306 -4.434 -1.348) 4.644 4.097 ( -4.684 -4.361 -0.375) 6.411 4.364 ( 8.460 -2.794 0.165) 8.911 4.517 ( -1.538 -0.646 1.774) 2.435 4.931 ( -0.819 5.900 3.907) 7.124 5.105 ( 1.334 -2.940 2.671) 4.190 5.305 ( 7.684 -0.207 4.087) 8.706 5.535 ( 5.044 0.546 -2.637) 5.717 6.026 ( -3.444 -3.235 -0.473) 4.749 6.384 ( 2.657 -3.765 2.229) 5.119 6.703 ( -10.058 7.961 -7.589) 14.904 7.064 ( -5.435 3.253 -1.739) 6.569 7.163 ( -0.821 -1.801 1.216) 2.323 7.578 ( -8.570 -2.003 1.028) 8.861 7.890 ( 10.579 -4.667 4.414) 12.377 8.069 ( 0.210 2.827 1.964) 3.449 8.088 ( -1.144 -0.137 0.282) 1.186 8.328 ( 7.970 1.294 0.997) 8.135 9.427 ( 2.052 0.577 2.647) 3.399 10.722 ( -9.503 6.416 -12.380) 16.874 10.840 ( 0.077 6.447 6.711) 9.307 11.072 ( -5.864 -0.360 -0.523) 5.898 12.451 ( 7.697 -4.847 2.720) 9.494 12.734 ( 1.075 -3.406 -2.234) 4.213 ======================= Grid point 185 (73/146) ======================= q-point: ( 0.64 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.784 ( 2.500 -0.498 3.072) 3.992 1.991 ( 4.157 -3.116 3.079) 6.039 2.163 ( -2.050 -2.498 -3.449) 4.726 2.357 ( -6.282 -1.263 1.292) 6.537 2.566 ( 2.285 2.761 -2.129) 4.169 2.849 ( -10.265 1.964 -2.361) 10.714 3.944 ( 1.406 -0.340 1.583) 2.145 4.038 ( 0.443 -0.891 -0.559) 1.142 4.426 ( 0.377 -0.914 0.214) 1.012 4.521 ( 3.381 0.288 -2.518) 4.225 5.005 ( 2.197 2.712 3.297) 4.801 5.115 ( 3.614 -3.175 1.245) 4.969 5.452 ( 5.738 -0.372 3.477) 6.720 5.636 ( 10.196 -2.601 -0.241) 10.526 5.959 ( -2.217 0.339 -1.786) 2.867 6.383 ( -4.080 -1.031 -1.923) 4.627 6.514 ( -12.701 2.528 -0.243) 12.953 6.933 ( -10.442 1.004 -2.849) 10.870 7.187 ( 4.394 -1.872 0.185) 4.780 7.430 ( -8.311 -0.427 0.386) 8.331 7.988 ( 1.866 -2.113 1.343) 3.123 8.084 ( 0.083 -0.026 -1.566) 1.568 8.156 ( 8.751 -0.426 4.485) 9.843 8.458 ( 6.300 0.718 -0.386) 6.353 9.497 ( 4.778 -1.190 4.282) 6.526 10.485 ( -15.890 6.972 -15.946) 23.567 10.875 ( -5.167 -1.154 7.326) 9.039 10.986 ( -2.690 -2.151 0.324) 3.459 12.588 ( 9.957 -0.453 1.987) 10.163 12.740 ( 2.231 0.528 -0.126) 2.296 ======================= Grid point 186 (74/146) ======================= q-point: (-0.27 -0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.805 ( 1.759 -3.471 1.700) 4.246 1.988 ( -4.924 1.040 -3.279) 6.007 2.128 ( 7.384 -8.090 -1.519) 11.058 2.278 ( -9.001 5.464 3.398) 11.065 2.653 ( 6.771 1.420 -1.311) 7.041 2.726 ( -7.114 4.703 1.516) 8.662 3.999 ( 2.584 2.129 2.803) 4.367 4.069 ( 2.074 2.416 -0.283) 3.197 4.414 ( -1.082 0.310 2.718) 2.942 4.563 ( 3.736 1.554 -6.521) 7.675 5.078 ( 2.787 0.494 3.231) 4.295 5.180 ( 5.326 0.691 -1.960) 5.717 5.541 ( 6.619 -5.384 6.064) 10.468 5.771 ( 8.848 -2.864 -0.970) 9.351 5.929 ( -3.178 1.927 -1.662) 4.071 6.122 ( -19.493 2.894 -4.597) 20.236 6.472 ( 1.773 -4.946 3.784) 6.475 6.732 ( -12.199 -1.338 -3.568) 12.780 7.249 ( 4.737 -0.749 -0.335) 4.808 7.331 ( -5.116 1.935 0.516) 5.494 7.977 ( -1.524 -1.789 1.733) 2.920 8.051 ( -1.431 -1.965 -2.623) 3.576 8.337 ( 10.443 -0.874 3.183) 10.953 8.521 ( 1.070 1.807 -1.608) 2.645 9.615 ( 8.538 -2.868 6.032) 10.840 10.196 ( -15.975 6.724 -14.402) 22.535 10.766 ( -11.248 -4.225 11.473) 16.613 10.928 ( 1.444 -6.619 -6.354) 9.288 12.759 ( 8.541 2.774 1.331) 9.078 12.808 ( 3.099 4.020 1.071) 5.187 ======================= Grid point 187 (75/146) ======================= q-point: (-0.18 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.832 ( 2.011 -1.402 1.980) 3.151 1.876 ( -4.875 0.953 -2.622) 5.617 2.156 ( -6.178 1.770 3.950) 7.543 2.233 ( 6.086 -1.817 -4.223) 7.627 2.705 ( -3.674 5.513 4.974) 8.285 2.789 ( 9.917 -0.790 -3.824) 10.658 4.082 ( 2.474 2.406 2.292) 4.143 4.115 ( 1.031 2.660 -1.133) 3.070 4.455 ( 0.173 3.886 6.528) 7.599 4.596 ( 4.072 2.504 -7.930) 9.260 5.155 ( 3.343 1.679 4.153) 5.590 5.242 ( 2.159 3.606 -5.336) 6.793 5.643 ( 7.998 -9.260 5.380) 13.366 5.684 ( -16.854 1.242 0.620) 16.911 5.899 ( 1.697 1.078 2.484) 3.195 5.987 ( 1.921 0.493 -6.066) 6.382 6.452 ( -2.665 -6.290 1.952) 7.105 6.501 ( -8.054 -4.507 -3.140) 9.749 7.296 ( -1.045 2.331 1.733) 3.087 7.326 ( 3.321 1.111 -1.451) 3.790 7.927 ( -3.289 -3.428 2.097) 5.192 7.975 ( -2.379 -4.118 -2.997) 5.622 8.487 ( 6.306 0.182 2.387) 6.745 8.526 ( -2.118 4.995 -1.639) 5.668 9.780 ( 10.734 -4.029 7.150) 13.512 9.953 ( -11.992 6.301 -11.301) 17.641 10.604 ( -13.051 -4.704 13.218) 19.162 10.825 ( 2.273 -10.906 -10.591) 15.371 12.908 ( 3.862 5.537 1.174) 6.853 12.917 ( 5.366 4.499 0.134) 7.004 ======================= Grid point 188 (76/146) ======================= q-point: (-0.09 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.767 ( -7.646 5.061 1.143) 9.240 1.907 ( 2.419 -3.515 0.487) 4.295 2.093 ( -6.476 8.460 3.507) 11.217 2.326 ( 9.023 -4.821 -2.509) 10.533 2.737 ( 0.445 3.813 2.131) 4.390 2.906 ( 11.133 -4.337 -5.535) 13.168 4.113 ( -1.238 2.264 -0.145) 2.584 4.159 ( 2.914 -0.496 0.182) 2.961 4.532 ( -2.957 6.067 7.450) 10.052 4.651 ( 4.901 3.354 -6.660) 8.923 5.173 ( -10.582 5.417 -1.366) 11.967 5.305 ( 6.679 3.477 2.238) 7.855 5.490 ( -6.470 5.127 0.216) 8.258 5.733 ( 10.738 -11.767 -0.154) 15.931 5.899 ( -6.101 4.185 -0.701) 7.431 6.026 ( 5.538 -3.352 -2.296) 6.869 6.269 ( -9.756 -2.255 3.982) 10.776 6.436 ( 4.569 -10.192 -0.042) 11.169 7.319 ( -0.641 3.572 1.555) 3.949 7.380 ( 3.615 -0.057 -1.611) 3.958 7.840 ( -4.615 -4.192 2.510) 6.722 7.871 ( -3.043 -5.458 -2.215) 6.630 8.511 ( -4.821 7.041 -1.205) 8.618 8.596 ( 3.736 2.412 2.054) 4.898 9.787 ( -8.871 6.278 -6.329) 12.577 9.953 ( 8.834 -4.662 6.624) 11.986 10.454 ( -9.618 -4.329 13.707) 17.296 10.683 ( 2.884 -12.653 -12.888) 18.290 13.013 ( 2.715 5.720 -0.690) 6.369 13.026 ( 3.391 3.944 -0.762) 5.257 ======================= Grid point 195 (77/146) ======================= q-point: ( 0.55 0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( -0.000 -1.363 4.283) 4.495 1.944 ( -0.000 -4.219 5.553) 6.974 2.199 ( 0.000 -1.732 -4.856) 5.155 2.486 ( -0.000 -1.547 1.767) 2.348 2.541 ( 0.000 3.941 -3.876) 5.528 3.047 ( 0.000 4.873 -4.829) 6.860 3.926 ( -0.000 -0.424 2.041) 2.084 4.171 ( -0.000 -1.208 1.733) 2.112 4.205 ( 0.000 -4.105 0.760) 4.175 4.531 ( -0.000 -1.936 1.718) 2.588 5.006 ( -0.000 2.629 1.426) 2.991 5.112 ( -0.000 -1.166 2.132) 2.430 5.196 ( -0.000 -5.690 3.268) 6.561 5.511 ( 0.000 4.677 -3.527) 5.858 6.021 ( 0.000 -3.442 0.023) 3.443 6.344 ( -0.000 -2.487 1.729) 3.029 6.801 ( 0.000 7.670 -8.854) 11.714 7.086 ( 0.000 0.672 -0.218) 0.707 7.213 ( 0.000 0.540 -2.630) 2.684 7.662 ( -0.000 -2.845 0.753) 2.943 7.750 ( -0.000 -4.003 4.485) 6.012 8.042 ( 0.000 -0.989 -2.783) 2.953 8.160 ( -0.000 0.816 6.809) 6.858 8.255 ( 0.000 -0.004 -0.833) 0.833 9.434 ( -0.000 0.178 3.053) 3.058 10.794 ( 0.000 5.949 -10.821) 12.349 10.869 ( 0.000 -1.558 -1.613) 2.242 11.127 ( 0.000 3.101 -2.785) 4.168 12.377 ( -0.000 -3.527 7.558) 8.340 12.704 ( -0.000 -0.187 0.970) 0.987 ======================= Grid point 196 (78/146) ======================= q-point: (-0.36 -0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.724 ( 3.716 -4.146 2.165) 5.974 1.911 ( 1.281 -8.601 1.506) 8.826 2.158 ( -2.195 1.468 -4.300) 5.046 2.492 ( -4.099 6.084 5.443) 9.135 2.573 ( 0.308 5.080 -1.374) 5.272 3.001 ( -6.701 3.365 -3.589) 8.313 3.962 ( 0.049 2.695 4.546) 5.285 4.073 ( -4.309 0.765 2.274) 4.932 4.329 ( 8.587 -0.239 -0.306) 8.596 4.509 ( -1.067 -1.933 0.566) 2.280 5.014 ( 0.762 -5.815 2.508) 6.379 5.051 ( -0.506 0.453 0.720) 0.990 5.307 ( 11.132 -4.515 0.788) 12.039 5.543 ( 1.165 3.492 -1.635) 4.028 5.982 ( -1.740 -0.249 -0.911) 1.980 6.352 ( 1.888 -2.164 1.059) 3.061 6.740 ( -9.553 5.674 -7.362) 13.329 7.076 ( -8.720 0.291 -3.912) 9.561 7.125 ( 1.127 -1.313 -0.112) 1.734 7.563 ( -7.482 -0.948 0.919) 7.597 7.843 ( 9.365 -4.074 1.504) 10.323 8.055 ( 4.332 -0.600 -1.409) 4.595 8.137 ( -3.936 -0.938 2.721) 4.876 8.341 ( 8.051 -1.047 1.332) 8.228 9.465 ( 1.725 -0.902 4.082) 4.523 10.664 ( -10.755 3.507 -13.655) 17.732 10.840 ( 2.332 -4.750 -6.817) 8.630 11.089 ( -6.354 0.983 1.555) 6.615 12.473 ( 7.269 0.173 7.946) 10.770 12.742 ( 1.078 3.287 3.459) 4.892 ======================= Grid point 197 (79/146) ======================= q-point: (-0.27 -0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.728 ( 2.275 -7.158 -0.604) 7.535 1.893 ( 7.695 -9.391 -0.698) 12.161 2.094 ( -5.511 3.761 -4.072) 7.817 2.507 ( -8.297 8.578 5.082) 12.971 2.620 ( 0.338 4.981 0.003) 4.992 2.909 ( -7.025 5.553 1.463) 9.073 4.007 ( 0.536 2.192 2.436) 3.320 4.100 ( 0.151 5.506 3.295) 6.419 4.427 ( 3.270 1.021 0.947) 3.555 4.488 ( 1.307 -0.453 -2.544) 2.895 5.020 ( 5.377 -7.416 4.243) 10.095 5.101 ( 3.792 2.384 0.523) 4.509 5.402 ( 7.203 -6.836 -0.677) 9.953 5.613 ( 6.060 1.182 0.232) 6.179 5.962 ( -1.220 2.715 -1.949) 3.558 6.342 ( -2.798 -1.103 -2.707) 4.047 6.525 ( -14.802 -0.248 -1.879) 14.923 6.870 ( -10.374 -1.892 -5.547) 11.916 7.179 ( 3.803 1.056 0.049) 3.947 7.451 ( -6.946 1.349 1.001) 7.146 7.923 ( 5.048 -4.228 -2.004) 6.883 8.058 ( -3.008 -2.699 -0.795) 4.119 8.178 ( 9.342 -0.883 3.270) 9.937 8.458 ( 6.668 -0.729 0.364) 6.718 9.528 ( 4.358 -1.831 5.650) 7.367 10.405 ( -13.680 2.981 -14.917) 20.458 10.758 ( 0.888 -7.564 -10.072) 12.627 10.980 ( -9.434 -2.298 6.943) 11.937 12.669 ( 8.877 3.732 5.851) 11.268 12.830 ( 1.799 5.383 4.080) 6.990 ======================= Grid point 198 (80/146) ======================= q-point: (-0.18 -0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( 5.476 -6.595 -1.550) 8.711 1.945 ( 8.313 -9.358 -1.817) 12.649 2.024 ( -4.455 6.217 -3.189) 8.287 2.427 ( -11.247 5.778 1.729) 12.762 2.677 ( 1.622 4.025 -0.233) 4.345 2.911 ( -6.182 9.212 6.465) 12.840 4.061 ( 2.397 1.624 1.103) 3.098 4.155 ( -0.942 4.363 0.112) 4.465 4.483 ( 3.996 0.214 -3.980) 5.644 4.534 ( 2.246 4.682 4.331) 6.762 5.078 ( 7.295 -6.436 2.928) 10.159 5.210 ( 4.580 4.607 0.987) 6.571 5.433 ( 6.224 -6.284 -1.553) 8.980 5.745 ( 8.588 -0.982 2.662) 9.044 5.944 ( -4.628 2.996 -3.162) 6.356 6.140 ( -16.787 2.850 -0.941) 17.053 6.366 ( -0.885 -8.251 -2.274) 8.605 6.649 ( -11.624 -1.624 -4.501) 12.570 7.252 ( 3.986 1.376 -0.431) 4.239 7.390 ( -4.070 2.949 1.020) 5.129 7.912 ( 0.952 -5.184 -2.091) 5.671 7.967 ( -3.393 -4.783 -0.537) 5.889 8.355 ( 10.497 -0.791 2.845) 10.904 8.542 ( 3.701 1.765 -0.836) 4.185 9.639 ( 7.587 -2.845 6.799) 10.577 10.139 ( -12.358 3.530 -12.446) 17.891 10.617 ( 0.588 -10.001 -12.725) 16.195 10.839 ( -11.553 -3.777 10.784) 16.249 12.867 ( 6.840 5.498 3.356) 9.395 12.935 ( 2.034 5.795 2.959) 6.817 ======================= Grid point 207 (81/146) ======================= q-point: (-0.36 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( 0.000 -7.778 1.657) 7.952 1.805 ( 0.000 -12.285 -1.449) 12.370 2.198 ( 0.000 6.459 -2.707) 7.003 2.619 ( -0.000 6.797 -0.193) 6.800 2.653 ( -0.000 12.090 7.912) 14.449 3.050 ( 0.000 1.221 -4.826) 4.978 4.035 ( -0.000 4.829 5.802) 7.548 4.151 ( 0.000 -1.351 -1.343) 1.905 4.255 ( -0.000 4.777 7.242) 8.676 4.493 ( 0.000 -3.059 -0.564) 3.110 4.948 ( 0.000 -8.313 0.051) 8.313 5.064 ( 0.000 -4.323 0.447) 4.346 5.171 ( -0.000 0.113 0.779) 0.787 5.565 ( -0.000 3.103 -0.542) 3.150 5.997 ( 0.000 1.879 -1.182) 2.220 6.320 ( 0.000 -1.964 -0.102) 1.966 6.814 ( 0.000 5.095 -8.475) 9.888 7.100 ( 0.000 -0.619 -3.966) 4.014 7.139 ( 0.000 -1.008 -1.917) 2.166 7.588 ( 0.000 -4.320 -1.692) 4.639 7.767 ( -0.000 -1.345 5.053) 5.229 7.984 ( 0.000 -0.962 -3.310) 3.447 8.202 ( 0.000 -2.544 -2.952) 3.897 8.239 ( -0.000 -2.049 7.200) 7.486 9.469 ( -0.000 -1.215 4.844) 4.994 10.618 ( 0.000 -13.875 -12.772) 18.858 10.778 ( 0.000 6.563 -10.826) 12.660 11.159 ( 0.000 3.065 -2.473) 3.939 12.482 ( -0.000 1.533 12.121) 12.218 12.801 ( -0.000 5.178 5.374) 7.463 ======================= Grid point 208 (82/146) ======================= q-point: (-0.27 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( 2.885 -10.464 -0.840) 10.886 1.689 ( 3.388 -13.803 -1.881) 14.337 2.219 ( -4.746 9.355 -2.654) 10.821 2.671 ( -1.583 5.331 0.249) 5.567 2.778 ( -6.526 13.255 6.088) 15.980 3.020 ( -0.634 3.246 -0.223) 3.315 4.061 ( -2.783 2.571 1.456) 4.059 4.165 ( 1.090 3.487 1.729) 4.042 4.380 ( 2.466 2.693 3.612) 5.136 4.470 ( 1.317 -0.906 1.010) 1.891 4.884 ( 2.593 -8.680 1.928) 9.262 5.073 ( 3.680 -0.226 1.878) 4.138 5.230 ( 6.146 -2.405 0.288) 6.606 5.589 ( 0.668 1.686 0.613) 1.914 6.004 ( -1.408 4.360 -1.800) 4.923 6.302 ( 0.943 -2.993 -2.979) 4.327 6.728 ( -10.051 2.495 -7.092) 12.552 6.953 ( -7.924 -4.056 -7.446) 11.605 7.157 ( 1.288 2.165 1.619) 2.994 7.545 ( -1.971 -1.524 -1.046) 2.702 7.777 ( 3.175 -4.226 -0.035) 5.286 8.016 ( 4.362 -2.360 -2.181) 5.418 8.128 ( -1.272 -0.991 1.812) 2.426 8.330 ( 7.335 -3.132 2.922) 8.494 9.503 ( 1.708 -1.352 6.353) 6.716 10.378 ( -1.814 -15.028 -15.096) 21.378 10.724 ( -5.557 5.556 -11.826) 14.199 11.123 ( -5.702 1.185 0.983) 5.907 12.633 ( 6.023 4.059 11.119) 13.281 12.891 ( 0.706 5.724 5.313) 7.841 ======================= Grid point 209 (83/146) ======================= q-point: (-0.18 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( 4.715 -11.043 -4.092) 12.686 1.674 ( 9.932 -13.038 -0.938) 16.417 2.191 ( -8.040 10.609 -2.257) 13.501 2.608 ( -7.127 -1.933 -1.299) 7.498 2.805 ( -5.816 12.773 2.276) 14.219 3.109 ( -1.917 10.260 7.008) 12.572 4.063 ( -0.144 1.602 0.181) 1.619 4.204 ( -0.404 2.918 -0.798) 3.052 4.385 ( 1.674 -2.539 -4.391) 5.341 4.570 ( 3.481 3.878 7.239) 8.920 4.899 ( 6.325 -6.556 1.428) 9.221 5.183 ( 5.558 3.372 2.788) 7.073 5.313 ( 6.062 -1.774 2.554) 6.813 5.643 ( 4.446 0.404 1.763) 4.799 6.011 ( -2.079 4.902 -1.818) 5.627 6.239 ( -0.753 -4.776 -7.095) 8.586 6.468 ( -17.110 -1.157 -3.991) 17.607 6.761 ( -8.197 -1.986 -5.439) 10.036 7.216 ( 2.542 2.243 0.635) 3.449 7.486 ( -4.243 1.321 0.111) 4.445 7.788 ( 4.974 -6.820 -3.380) 9.092 7.965 ( -2.309 -5.381 -0.839) 5.915 8.219 ( 7.640 0.224 3.437) 8.380 8.441 ( 8.183 -1.470 0.247) 8.318 9.574 ( 3.613 -1.947 7.544) 8.588 10.130 ( -1.238 -13.133 -14.216) 19.394 10.574 ( -8.841 4.325 -13.006) 16.311 11.029 ( -8.636 -1.493 6.714) 11.040 12.844 ( 6.686 6.033 7.297) 11.591 12.983 ( 0.940 5.202 3.833) 6.529 ======================= Grid point 219 (84/146) ======================= q-point: (-0.27 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.461 ( 0.000 -13.715 0.526) 13.725 1.507 ( 0.000 -16.112 -3.952) 16.589 2.356 ( -0.000 13.890 -1.933) 14.024 2.697 ( 0.000 -2.662 -4.144) 4.926 3.001 ( -0.000 2.155 -0.098) 2.157 3.051 ( -0.000 18.125 9.095) 20.279 4.115 ( 0.000 0.265 -3.621) 3.630 4.157 ( -0.000 2.868 1.317) 3.156 4.414 ( 0.000 -2.096 -3.202) 3.827 4.489 ( -0.000 6.275 10.657) 12.368 4.816 ( -0.000 -6.878 3.743) 7.830 5.034 ( -0.000 -0.696 5.000) 5.049 5.188 ( 0.000 1.252 -0.524) 1.357 5.605 ( -0.000 0.862 2.246) 2.406 6.054 ( 0.000 6.179 -2.308) 6.596 6.236 ( 0.000 -4.042 -5.943) 7.187 6.787 ( 0.000 2.771 -7.307) 7.815 6.924 ( 0.000 -5.522 -9.809) 11.256 7.186 ( -0.000 2.144 2.527) 3.314 7.475 ( 0.000 -5.067 -2.498) 5.650 7.774 ( 0.000 -3.027 0.694) 3.106 7.929 ( 0.000 -0.814 -3.227) 3.328 8.142 ( -0.000 -1.210 1.040) 1.596 8.250 ( -0.000 -4.867 5.021) 6.993 9.523 ( -0.000 -1.003 8.031) 8.093 10.129 ( 0.000 -19.007 -15.945) 24.809 10.768 ( 0.000 6.586 -10.910) 12.744 11.184 ( 0.000 3.418 -2.885) 4.473 12.699 ( -0.000 4.333 13.767) 14.433 12.968 ( -0.000 5.270 5.009) 7.271 ======================= Grid point 220 (85/146) ======================= q-point: (-0.18 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.325 ( 1.867 -15.335 -4.436) 16.073 1.400 ( 6.947 -16.453 -0.127) 17.860 2.428 ( -6.936 15.748 -1.332) 17.259 2.568 ( -0.039 -13.968 -7.464) 15.837 3.033 ( -4.627 11.813 3.892) 13.270 3.271 ( -0.024 14.756 7.664) 16.628 4.078 ( -1.340 0.321 -3.294) 3.570 4.195 ( 1.554 0.885 -1.666) 2.444 4.369 ( -1.839 0.504 -2.131) 2.859 4.592 ( 0.725 1.301 6.104) 6.283 4.816 ( 3.000 -2.017 5.159) 6.299 5.129 ( 5.039 0.603 6.099) 7.934 5.238 ( 5.186 1.906 1.865) 5.832 5.636 ( 0.349 1.829 3.356) 3.838 6.082 ( -1.977 5.359 -2.079) 6.079 6.146 ( -0.148 -4.858 -9.953) 11.076 6.657 ( -11.667 -0.755 -7.676) 13.986 6.798 ( -3.085 -2.518 -6.207) 7.375 7.223 ( 0.496 2.319 2.107) 3.173 7.474 ( 5.269 -3.998 -2.136) 6.950 7.685 ( -3.353 -4.414 -2.154) 5.947 7.925 ( 0.856 -3.342 -2.398) 4.202 8.166 ( 2.417 -0.149 4.294) 4.930 8.293 ( 7.332 -3.823 1.918) 8.489 9.574 ( 0.653 -1.883 9.095) 9.310 9.877 ( 2.357 -17.566 -14.283) 22.763 10.699 ( -7.452 6.867 -12.207) 15.865 11.160 ( -4.700 1.907 0.566) 5.104 12.862 ( 4.435 5.407 11.312) 13.299 13.041 ( 0.215 4.326 3.669) 5.677 ======================= Grid point 231 (86/146) ======================= q-point: (-0.18 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( 0.000 -18.596 -4.272) 19.080 1.173 ( 0.000 -18.416 0.913) 18.439 2.305 ( 0.000 -26.034 -11.081) 28.294 2.648 ( -0.000 19.457 -1.129) 19.490 3.206 ( -0.000 12.183 6.179) 13.660 3.462 ( -0.000 15.585 5.688) 16.591 4.073 ( 0.000 1.975 -5.755) 6.084 4.175 ( 0.000 0.111 -1.518) 1.522 4.381 ( 0.000 1.798 -1.723) 2.491 4.644 ( -0.000 -0.563 5.279) 5.309 4.785 ( -0.000 -4.738 7.257) 8.667 5.175 ( -0.000 4.522 9.831) 10.821 5.200 ( 0.000 1.820 -2.293) 2.928 5.688 ( -0.000 3.373 5.956) 6.845 6.016 ( 0.000 -6.876 -13.818) 15.434 6.153 ( -0.000 6.890 -1.413) 7.033 6.699 ( 0.000 -5.793 -9.367) 11.014 6.754 ( 0.000 2.342 -5.180) 5.685 7.257 ( -0.000 1.838 2.964) 3.487 7.349 ( 0.000 -5.359 -2.450) 5.892 7.678 ( 0.000 -4.892 -2.691) 5.583 7.877 ( 0.000 -0.697 -2.971) 3.052 8.186 ( -0.000 -6.512 2.009) 6.815 8.189 ( -0.000 0.757 5.899) 5.947 9.594 ( 0.000 -18.665 -13.918) 23.283 9.632 ( -0.000 -0.391 12.260) 12.266 10.748 ( 0.000 6.328 -12.257) 13.794 11.216 ( 0.000 3.895 -2.854) 4.829 12.945 ( -0.000 4.495 12.685) 13.458 13.095 ( -0.000 3.333 2.769) 4.333 ======================= Grid point 268 (87/146) ======================= q-point: ( 0.18 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 146 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( -0.000 -0.000 23.565) 23.565 0.854 ( -0.000 -0.000 23.565) 23.565 1.352 ( -0.000 -0.000 33.692) 33.692 3.298 ( 0.000 0.000 -10.958) 10.958 3.484 ( 0.000 0.000 -13.474) 13.474 3.484 ( 0.000 0.000 -13.474) 13.474 4.262 ( -0.000 -0.000 3.833) 3.833 4.262 ( -0.000 -0.000 3.833) 3.833 4.337 ( 0.000 0.000 -4.868) 4.868 4.594 ( -0.000 -0.000 3.473) 3.473 4.594 ( -0.000 -0.000 3.473) 3.473 5.498 ( -0.000 -0.000 4.642) 4.642 5.498 ( 0.000 0.000 4.642) 4.642 5.766 ( 0.000 0.000 -10.052) 10.052 6.359 ( -0.000 0.000 -1.263) 1.263 6.359 ( 0.000 0.000 -1.263) 1.263 6.719 ( -0.000 -0.000 2.505) 2.505 6.823 ( 0.000 0.000 -0.393) 0.393 7.206 ( -0.000 -0.000 2.124) 2.124 7.206 ( 0.000 0.000 2.124) 2.124 7.750 ( 0.000 0.000 -3.566) 3.566 7.750 ( 0.000 0.000 -3.566) 3.566 8.067 ( -0.000 -0.000 5.380) 5.380 8.122 ( -0.000 -0.000 3.405) 3.405 9.082 ( -0.000 -0.000 13.159) 13.159 9.082 ( -0.000 -0.000 13.159) 13.159 11.163 ( 0.000 0.000 -8.458) 8.458 11.163 ( 0.000 0.000 -8.458) 8.458 13.008 ( -0.000 -0.000 0.295) 0.295 13.165 ( 0.000 0.000 -1.319) 1.319 ======================= Grid point 269 (88/146) ======================= q-point: ( 0.27 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.940 ( -1.443 -0.833 22.334) 22.396 1.062 ( 5.790 3.343 21.103) 22.137 1.760 ( 16.451 9.498 26.669) 32.743 3.080 ( -12.583 -7.265 -10.245) 17.779 3.328 ( -2.514 -1.451 -15.216) 15.490 3.470 ( 1.006 0.581 -13.246) 13.297 4.217 ( -3.621 -2.090 2.746) 5.002 4.286 ( -0.427 -0.247 3.220) 3.257 4.376 ( 2.610 1.507 -0.596) 3.072 4.619 ( 1.618 0.934 1.150) 2.194 4.638 ( 2.101 1.213 2.305) 3.347 5.324 ( -9.769 -5.640 2.852) 11.635 5.607 ( -0.245 -0.141 -3.443) 3.454 5.768 ( 5.821 3.361 1.411) 6.868 6.144 ( -11.151 -6.438 -1.684) 12.986 6.493 ( 4.392 2.536 -0.515) 5.098 6.565 ( -10.215 -5.897 7.072) 13.753 6.769 ( -3.798 -2.193 -0.211) 4.391 7.213 ( 1.618 0.934 2.964) 3.504 7.348 ( 6.221 3.591 1.150) 7.274 7.675 ( -2.232 -1.289 -5.002) 5.627 7.723 ( -2.025 -1.169 3.910) 4.556 8.115 ( 1.445 0.834 4.958) 5.231 8.302 ( 12.158 7.020 -2.879) 14.332 9.096 ( -0.068 -0.039 11.997) 11.997 9.388 ( 12.746 7.359 11.856) 18.900 11.000 ( -6.030 -3.482 -11.665) 13.586 11.141 ( -1.783 -1.030 -3.687) 4.223 12.993 ( -0.624 -0.360 -1.921) 2.052 13.145 ( -1.029 -0.594 -1.772) 2.134 ======================= Grid point 270 (89/146) ======================= q-point: ( 0.36 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( 6.872 3.968 15.032) 16.998 1.336 ( 8.948 5.166 16.959) 19.859 2.229 ( 13.065 7.543 17.537) 23.133 2.728 ( -14.511 -8.378 -7.673) 18.430 3.160 ( -4.731 -2.731 -15.173) 16.126 3.369 ( -3.164 -1.827 -11.586) 12.148 4.171 ( -3.112 -1.797 5.406) 6.492 4.284 ( -1.339 -0.773 2.559) 2.990 4.399 ( 0.514 0.297 0.134) 0.609 4.666 ( 2.193 1.266 -2.450) 3.524 4.698 ( 2.443 1.410 0.455) 2.857 5.201 ( -1.932 -1.116 3.323) 4.002 5.535 ( -1.455 -0.840 -9.197) 9.349 5.931 ( -7.635 -4.408 -1.803) 8.999 5.932 ( 4.302 2.484 10.198) 11.344 6.423 ( -7.520 -4.342 5.754) 10.417 6.449 ( -6.450 -3.724 -4.142) 8.522 6.742 ( -0.069 -0.040 2.949) 2.950 7.289 ( 2.695 1.556 4.044) 5.103 7.452 ( 3.173 1.832 1.491) 3.956 7.610 ( -0.521 -0.301 -4.839) 4.876 7.732 ( -0.431 -0.249 6.415) 6.434 8.185 ( 2.692 1.554 3.564) 4.729 8.519 ( 9.949 5.744 -4.269) 12.255 9.222 ( 5.336 3.081 10.772) 12.410 9.710 ( 10.892 6.288 11.957) 17.354 10.771 ( -8.105 -4.679 -14.321) 17.108 11.054 ( -6.021 -3.476 2.542) 7.403 12.970 ( 0.577 0.333 -5.144) 5.187 13.103 ( -1.559 -0.900 -2.813) 3.339 ======================= Grid point 271 (90/146) ======================= q-point: ( 0.45 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( 12.536 7.238 7.941) 16.510 1.620 ( 9.005 5.199 11.847) 15.763 2.426 ( -9.634 -5.562 -3.103) 11.550 2.444 ( -0.895 -0.517 8.167) 8.232 2.954 ( -6.424 -3.709 -13.053) 15.014 3.212 ( -5.649 -3.261 -9.340) 11.392 4.139 ( -2.577 -1.488 3.103) 4.299 4.264 ( -1.773 -1.024 1.722) 2.675 4.455 ( 4.592 2.651 2.756) 5.976 4.688 ( 3.178 1.835 -3.049) 4.771 4.734 ( 0.985 0.569 -1.075) 1.565 5.281 ( 5.990 3.458 2.759) 7.446 5.446 ( -1.667 -0.962 -9.402) 9.597 5.804 ( -3.132 -1.808 -2.278) 4.274 5.995 ( -5.138 -2.967 3.546) 6.912 6.302 ( -4.042 -2.333 4.536) 6.508 6.308 ( -6.232 -3.598 4.186) 8.324 6.740 ( -2.178 -1.257 3.021) 3.931 7.322 ( -1.156 -0.667 -0.077) 1.337 7.511 ( 1.382 0.798 2.785) 3.210 7.632 ( 4.041 2.333 0.202) 4.671 7.767 ( -0.069 -0.040 5.916) 5.917 8.269 ( 3.785 2.185 1.576) 4.646 8.658 ( 5.835 3.369 -5.129) 8.467 9.439 ( 8.934 5.158 9.995) 14.364 9.994 ( 8.674 5.008 13.751) 17.012 10.494 ( -9.272 -5.353 -15.982) 19.237 10.925 ( -8.723 -5.036 6.948) 12.236 12.957 ( 1.728 0.998 -6.889) 7.172 13.050 ( -1.315 -0.759 -4.362) 4.619 ======================= Grid point 272 (91/146) ======================= q-point: ( 0.55 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.707 ( 13.398 7.735 3.361) 15.831 1.810 ( 3.324 1.919 5.425) 6.646 2.336 ( -10.078 -5.819 2.789) 11.967 2.341 ( 2.098 1.212 2.189) 3.265 2.751 ( -6.061 -3.499 -7.777) 10.462 3.010 ( -8.397 -4.848 -8.217) 12.709 4.112 ( -0.641 -0.370 0.270) 0.788 4.231 ( -1.943 -1.122 0.746) 2.365 4.565 ( 5.230 3.019 -5.589) 8.228 4.721 ( -1.556 -0.898 -1.707) 2.479 4.845 ( 11.147 6.436 5.875) 14.148 5.345 ( -2.970 -1.715 -8.869) 9.508 5.396 ( 3.433 1.982 -3.730) 5.443 5.772 ( -12.432 -7.177 -5.260) 15.288 5.797 ( 2.830 1.634 2.821) 4.317 6.219 ( -3.929 -2.269 3.643) 5.819 6.331 ( -0.889 -0.513 12.249) 12.292 6.697 ( -3.806 -2.197 5.400) 6.963 7.271 ( -1.799 -1.038 -3.258) 3.864 7.547 ( 0.157 0.091 3.737) 3.742 7.735 ( 3.607 2.083 3.491) 5.435 7.795 ( -0.367 -0.212 4.992) 5.010 8.353 ( 3.764 2.173 -1.755) 4.687 8.699 ( 1.220 0.705 -6.137) 6.297 9.701 ( 9.872 5.700 9.373) 14.758 10.207 ( -8.203 -4.736 -15.274) 17.973 10.227 ( 4.417 2.550 14.414) 15.290 10.790 ( -7.958 -4.595 9.751) 13.399 12.960 ( 2.497 1.442 -7.087) 7.651 13.000 ( -0.313 -0.181 -6.244) 6.254 ======================= Grid point 273 (92/146) ======================= q-point: (-0.36 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.850 ( -1.030 -0.595 1.005) 1.557 1.921 ( 1.977 1.142 2.506) 3.390 2.161 ( -4.360 -2.517 -1.452) 5.240 2.432 ( 2.593 1.497 0.050) 2.994 2.685 ( 3.353 1.936 3.080) 4.947 2.818 ( -2.976 -1.718 -6.185) 7.076 4.116 ( 0.948 0.548 -0.345) 1.148 4.192 ( -1.888 -1.090 -0.246) 2.194 4.623 ( 5.204 3.005 -10.317) 11.939 4.641 ( -5.352 -3.090 -1.399) 6.336 5.138 ( 10.491 6.057 4.962) 13.091 5.199 ( -6.648 -3.839 -6.509) 10.065 5.399 ( 2.711 1.565 -7.808) 8.412 5.494 ( -9.001 -5.197 -7.331) 12.719 5.897 ( 1.993 1.151 4.927) 5.438 6.227 ( 2.940 1.697 6.599) 7.421 6.340 ( -4.702 -2.715 7.777) 9.485 6.671 ( -3.065 -1.769 11.747) 12.269 7.228 ( -0.075 -0.043 -3.878) 3.879 7.560 ( -1.243 -0.718 3.518) 3.800 7.806 ( 0.852 0.492 4.149) 4.264 7.814 ( -0.505 -0.292 4.569) 4.606 8.385 ( 1.348 0.778 -6.840) 7.015 8.640 ( -2.988 -1.725 -6.538) 7.392 9.867 ( -0.741 -0.428 -6.182) 6.241 10.076 ( 5.134 2.964 3.384) 6.826 10.284 ( -7.929 -4.578 13.448) 16.268 10.776 ( 1.492 0.862 11.246) 11.377 12.964 ( 1.109 0.640 -8.275) 8.374 12.977 ( 2.976 1.718 -6.309) 7.184 ======================= Grid point 274 (93/146) ======================= q-point: (-0.27 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.750 ( -8.015 -4.627 -3.314) 9.830 1.797 ( -12.152 -7.016 -0.027) 14.032 2.144 ( 3.182 1.837 -0.648) 3.731 2.502 ( 3.448 1.991 6.060) 7.251 2.851 ( 7.728 4.462 3.242) 9.494 2.893 ( 11.927 6.886 -4.053) 14.356 4.140 ( 1.259 0.727 -0.192) 1.466 4.145 ( -2.583 -1.491 -1.143) 3.194 4.480 ( -8.621 -4.977 0.323) 9.960 4.661 ( 4.342 2.507 -10.676) 11.795 5.023 ( -6.071 -3.505 -3.261) 7.731 5.221 ( 0.522 0.301 -7.817) 7.840 5.316 ( -4.020 -2.321 -8.331) 9.537 5.530 ( 9.572 5.526 -1.156) 11.113 5.929 ( 0.489 0.282 2.702) 2.760 6.238 ( -8.184 -4.725 6.229) 11.318 6.406 ( 7.457 4.305 10.635) 13.683 6.700 ( -2.272 -1.312 13.971) 14.216 7.221 ( 1.369 0.791 -3.549) 3.885 7.530 ( -3.266 -1.886 2.094) 4.314 7.817 ( -2.068 -1.194 3.502) 4.239 7.834 ( -0.190 -0.109 4.613) 4.618 8.328 ( -1.206 -0.696 -10.694) 10.784 8.506 ( -5.834 -3.368 -5.967) 8.999 9.758 ( -1.553 -0.896 -10.380) 10.533 10.109 ( -14.745 -8.513 13.315) 21.614 10.304 ( 8.572 4.949 11.672) 15.304 10.931 ( 5.638 3.255 9.771) 11.741 12.946 ( 2.484 1.434 -10.296) 10.688 13.008 ( 3.230 1.865 -5.110) 6.327 ======================= Grid point 275 (94/146) ======================= q-point: (-0.18 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.478 ( -16.518 -9.536 -0.497) 19.079 1.499 ( -13.262 -7.657 -3.353) 15.677 2.317 ( 12.348 7.129 2.226) 14.431 2.560 ( -5.992 -3.460 9.492) 11.747 3.019 ( 8.579 4.953 -1.539) 10.025 3.176 ( 15.774 9.107 -4.451) 18.751 4.069 ( -3.387 -1.955 1.241) 4.103 4.162 ( 0.704 0.407 0.428) 0.919 4.364 ( -2.245 -1.296 2.275) 3.449 4.671 ( 2.068 1.194 -8.664) 8.987 4.905 ( -3.636 -2.099 -4.977) 6.511 5.179 ( 1.617 0.934 -10.526) 10.691 5.213 ( -1.952 -1.127 -4.181) 4.749 5.659 ( 3.787 2.186 -3.938) 5.885 6.008 ( 5.604 3.235 2.561) 6.959 6.103 ( -8.330 -4.809 8.855) 13.074 6.619 ( 5.971 3.448 10.266) 12.366 6.722 ( -3.380 -1.951 12.187) 12.796 7.237 ( 1.900 1.097 -3.106) 3.802 7.449 ( -5.092 -2.940 0.891) 5.947 7.763 ( -4.414 -2.549 1.918) 5.446 7.860 ( -0.026 -0.015 4.283) 4.283 8.238 ( -0.888 -0.513 -9.423) 9.479 8.338 ( -6.673 -3.852 -4.402) 8.874 9.690 ( 0.473 0.273 -9.993) 10.008 9.857 ( -16.460 -9.503 13.627) 23.386 10.543 ( 6.933 4.003 12.764) 15.067 11.097 ( 5.084 2.935 6.607) 8.839 12.942 ( 3.458 1.996 -12.029) 12.675 13.050 ( 3.225 1.862 -3.863) 5.366 ======================= Grid point 280 (95/146) ======================= q-point: ( 0.27 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( -0.000 -1.833 22.105) 22.181 1.177 ( -0.000 4.163 22.971) 23.345 1.911 ( -0.000 16.477 24.007) 29.118 3.070 ( 0.000 -8.270 -10.551) 13.406 3.182 ( 0.000 -7.082 -15.024) 16.610 3.390 ( 0.000 1.525 -16.011) 16.083 4.245 ( -0.000 -1.520 1.023) 1.832 4.304 ( -0.000 -0.893 4.896) 4.976 4.386 ( -0.000 4.199 1.373) 4.417 4.620 ( -0.000 -1.084 1.133) 1.568 4.631 ( -0.000 -0.001 1.758) 1.758 5.332 ( 0.000 -13.082 0.750) 13.103 5.642 ( 0.000 -1.081 -8.100) 8.172 5.653 ( -0.000 -2.220 8.489) 8.774 6.194 ( 0.000 -4.056 -5.738) 7.027 6.467 ( -0.000 1.438 3.880) 4.138 6.629 ( -0.000 -3.125 3.653) 4.807 6.772 ( 0.000 -3.895 -1.126) 4.054 7.242 ( -0.000 0.629 0.384) 0.737 7.342 ( -0.000 6.991 4.760) 8.457 7.702 ( -0.000 3.887 -0.398) 3.908 7.765 ( 0.000 3.685 -3.441) 5.042 8.139 ( -0.000 0.320 4.980) 4.991 8.194 ( -0.000 0.005 0.861) 0.861 9.202 ( -0.000 1.871 9.022) 9.214 9.466 ( -0.000 13.903 17.899) 22.664 10.950 ( 0.000 -4.062 -11.067) 11.788 11.128 ( 0.000 3.669 -8.909) 9.635 12.957 ( 0.000 -6.133 -0.190) 6.136 13.130 ( 0.000 -1.989 -1.970) 2.799 ======================= Grid point 281 (96/146) ======================= q-point: ( 0.36 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.208 ( -0.233 2.431 19.330) 19.483 1.386 ( 4.095 5.026 19.942) 20.969 2.257 ( 8.078 12.959 16.023) 22.134 2.807 ( -11.524 -8.794 -9.213) 17.176 3.065 ( 0.800 -5.284 -14.243) 15.213 3.286 ( -0.230 -3.220 -15.660) 15.990 4.235 ( -2.166 -0.063 4.094) 4.632 4.310 ( -0.956 -1.555 3.443) 3.897 4.421 ( -1.462 1.688 1.669) 2.788 4.615 ( 2.105 -2.569 -0.458) 3.352 4.669 ( 2.733 0.415 0.536) 2.815 5.195 ( -1.410 -10.159 1.045) 10.309 5.504 ( -3.983 -2.268 -4.974) 6.764 5.790 ( 9.708 -8.459 6.614) 14.475 6.077 ( -6.256 2.090 -4.413) 7.936 6.491 ( -0.597 -3.020 5.223) 6.063 6.541 ( -10.744 0.330 -2.092) 10.951 6.768 ( 1.184 2.014 0.756) 2.455 7.264 ( 3.012 -1.261 2.061) 3.861 7.454 ( 1.429 5.730 4.258) 7.280 7.677 ( -6.389 6.870 -4.234) 10.292 7.790 ( -0.447 2.963 4.815) 5.671 8.173 ( 1.866 -1.003 3.719) 4.280 8.316 ( 12.771 -0.916 -1.897) 12.944 9.278 ( 1.430 2.920 8.677) 9.267 9.758 ( 5.066 13.875 17.433) 22.849 10.789 ( -7.342 -1.332 -13.963) 15.831 11.097 ( -1.769 1.168 -4.897) 5.336 12.900 ( 1.424 -6.866 -1.656) 7.205 13.086 ( -0.731 -3.068 -2.812) 4.225 ======================= Grid point 282 (97/146) ======================= q-point: ( 0.45 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( 4.626 6.069 13.617) 15.610 1.626 ( 6.303 5.299 15.118) 17.215 2.475 ( -3.282 -2.470 -0.220) 4.113 2.528 ( -5.247 -0.874 1.395) 5.500 2.924 ( -3.557 -3.205 -12.060) 12.976 3.143 ( -0.638 -6.727 -13.320) 14.935 4.192 ( -4.272 -3.051 2.714) 5.910 4.297 ( -1.936 -1.110 2.183) 3.122 4.433 ( 1.666 1.927 0.688) 2.639 4.623 ( 3.215 -3.539 1.124) 4.912 4.715 ( 2.077 0.968 -0.642) 2.380 5.162 ( 4.877 -6.117 0.121) 7.824 5.441 ( 0.394 1.441 -2.277) 2.724 5.826 ( -0.442 -3.137 -0.718) 3.248 6.030 ( 0.318 -3.456 3.350) 4.823 6.317 ( -12.456 -2.651 -4.350) 13.457 6.484 ( -3.130 1.782 6.421) 7.363 6.787 ( -2.247 2.107 0.305) 3.095 7.315 ( 2.303 -2.610 2.805) 4.470 7.498 ( -1.154 1.044 -0.539) 1.647 7.677 ( -0.797 8.999 1.911) 9.234 7.839 ( -1.609 3.709 6.372) 7.547 8.227 ( 3.914 -1.087 2.259) 4.648 8.489 ( 11.606 -1.115 -4.383) 12.456 9.417 ( 6.302 2.273 9.145) 11.337 10.062 ( 4.499 12.742 16.687) 21.472 10.541 ( -11.229 0.221 -16.241) 19.746 11.029 ( -5.048 -1.936 1.336) 5.569 12.864 ( 3.217 -4.853 -4.268) 7.219 13.021 ( -0.829 -3.480 -4.287) 5.584 ======================= Grid point 283 (98/146) ======================= q-point: ( 0.55 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( 9.012 6.293 7.967) 13.575 1.831 ( 3.525 4.618 8.413) 10.224 2.321 ( -2.347 -4.075 -0.912) 4.790 2.474 ( -7.392 -2.127 1.616) 7.859 2.757 ( -5.191 -3.845 -7.489) 9.890 2.979 ( -2.918 -8.046 -10.849) 13.818 4.117 ( -1.683 -2.650 -0.590) 3.194 4.254 ( -2.018 -2.251 0.293) 3.037 4.468 ( 2.913 0.129 -6.175) 6.829 4.685 ( 3.320 -3.419 0.388) 4.781 4.795 ( 6.787 5.073 6.760) 10.839 5.170 ( 4.141 -5.493 -4.617) 8.285 5.513 ( 0.349 8.486 0.490) 8.507 5.776 ( -1.295 0.115 -1.593) 2.057 5.941 ( -12.897 0.146 -2.324) 13.106 6.131 ( 1.165 -11.686 3.001) 12.122 6.505 ( -3.948 3.801 8.653) 10.242 6.752 ( -2.872 -0.305 0.931) 3.035 7.292 ( -3.332 -0.837 -0.832) 3.535 7.503 ( 3.599 -3.898 1.385) 5.483 7.772 ( -0.365 6.689 3.981) 7.792 7.887 ( -2.246 5.369 6.232) 8.527 8.296 ( 4.265 -0.380 0.188) 4.286 8.591 ( 6.609 -1.312 -6.233) 9.178 9.622 ( 10.486 0.235 10.029) 14.512 10.220 ( -8.749 0.378 -10.917) 13.996 10.363 ( -0.890 11.139 10.226) 15.148 10.926 ( -7.195 -3.325 6.127) 10.018 12.861 ( 4.314 -2.334 -5.942) 7.705 12.950 ( -0.166 -3.003 -6.205) 6.896 ======================= Grid point 284 (99/146) ======================= q-point: ( 0.64 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.841 ( 7.716 2.120 4.397) 9.131 1.907 ( -1.256 3.100 1.686) 3.746 2.220 ( -6.965 -7.214 0.598) 10.046 2.413 ( 0.779 3.379 -1.608) 3.822 2.662 ( 1.156 -3.025 2.168) 3.897 2.791 ( -2.902 -5.475 -8.230) 10.301 4.090 ( 1.137 -1.317 -1.917) 2.589 4.205 ( -1.169 -2.166 -0.644) 2.544 4.474 ( 4.421 -1.128 -9.040) 10.127 4.659 ( -0.769 -2.995 -2.644) 4.069 5.025 ( 8.113 1.060 4.697) 9.434 5.181 ( 5.788 1.454 -2.121) 6.334 5.485 ( -12.539 7.808 -5.839) 15.883 5.635 ( -13.364 1.018 -5.627) 14.536 5.870 ( 3.880 -1.987 5.323) 6.880 6.143 ( 7.085 -6.566 7.078) 11.975 6.496 ( -6.792 2.738 4.697) 8.700 6.732 ( -0.273 -3.461 7.807) 8.544 7.225 ( -2.470 0.130 -2.759) 3.705 7.535 ( 3.603 -5.217 2.645) 6.870 7.818 ( -1.680 2.466 3.721) 4.770 7.938 ( -3.088 6.526 5.623) 9.151 8.335 ( 1.529 0.015 -3.896) 4.185 8.598 ( 1.133 -1.517 -6.945) 7.198 9.833 ( 5.678 -0.731 3.793) 6.867 10.006 ( -1.569 -1.730 -6.847) 7.234 10.497 ( -6.585 4.870 14.015) 16.233 10.864 ( -2.637 1.159 8.961) 9.413 12.882 ( 3.949 -0.717 -6.729) 7.835 12.893 ( 1.729 -1.110 -7.799) 8.065 ======================= Grid point 285 (100/146) ======================= q-point: (-0.27 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.818 ( -7.730 -2.982 -2.033) 8.532 1.918 ( -6.001 -2.980 2.159) 7.040 2.079 ( 0.628 -4.011 -1.358) 4.281 2.487 ( 4.831 3.434 2.475) 6.423 2.687 ( 7.736 -3.430 -1.787) 8.649 2.843 ( 7.801 6.569 1.393) 10.293 4.088 ( 1.734 -2.102 -2.217) 3.513 4.177 ( -0.462 -0.053 -0.665) 0.812 4.465 ( 2.250 -4.698 -5.561) 7.620 4.600 ( -0.969 1.514 -6.644) 6.882 5.060 ( -1.334 -1.074 -2.366) 2.921 5.223 ( -11.756 -2.391 -3.260) 12.431 5.352 ( 2.800 4.772 -4.103) 6.888 5.511 ( -3.522 9.233 -2.533) 10.202 5.908 ( 2.201 -4.067 3.350) 5.710 6.284 ( 4.856 -3.433 8.026) 9.989 6.432 ( -3.237 1.625 5.462) 6.554 6.762 ( 0.895 -5.167 11.706) 12.826 7.192 ( 0.031 0.694 -3.147) 3.223 7.545 ( 1.422 -4.479 2.099) 5.146 7.817 ( -2.576 0.168 3.098) 4.032 7.965 ( -4.237 4.972 4.962) 8.204 8.291 ( -1.994 -0.055 -8.134) 8.375 8.525 ( -3.526 -0.934 -6.367) 7.338 9.743 ( -4.716 1.086 -10.450) 11.516 10.149 ( 10.579 -6.781 11.797) 17.236 10.418 ( -11.562 -1.113 13.741) 17.993 10.967 ( 2.673 5.395 8.098) 10.091 12.854 ( 2.132 0.488 -10.109) 10.343 12.928 ( 4.546 1.389 -5.685) 7.411 ======================= Grid point 286 (101/146) ======================= q-point: (-0.18 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( -12.276 -7.628 -0.631) 14.467 1.692 ( -15.318 -2.955 -1.545) 15.677 2.173 ( 11.096 0.260 2.218) 11.318 2.619 ( 3.245 1.056 5.714) 6.655 2.841 ( 13.586 -2.074 -1.331) 13.808 3.049 ( 9.229 9.380 -3.130) 13.526 4.075 ( 0.517 -2.062 -0.778) 2.264 4.178 ( -0.304 1.569 -0.020) 1.598 4.392 ( -2.494 -4.169 0.986) 4.957 4.593 ( 2.207 3.807 -9.674) 10.628 4.925 ( -7.491 -2.815 -2.653) 8.431 5.129 ( 0.164 2.109 -3.326) 3.942 5.295 ( -6.610 5.770 -8.105) 11.945 5.603 ( 3.247 3.258 -1.129) 4.736 5.959 ( 4.833 0.340 3.201) 5.807 6.229 ( -6.862 -3.689 5.384) 9.470 6.559 ( 7.962 -3.957 10.620) 13.851 6.793 ( 0.250 -5.017 10.120) 11.298 7.197 ( 1.583 1.029 -2.688) 3.284 7.523 ( -2.034 -1.475 1.397) 2.874 7.769 ( -3.827 -2.858 1.430) 4.986 7.957 ( -4.431 2.638 4.104) 6.590 8.209 ( -1.937 1.053 -7.461) 7.780 8.406 ( -6.677 0.689 -4.812) 8.259 9.646 ( -1.756 1.212 -9.209) 9.453 10.110 ( -13.379 -8.894 14.100) 21.376 10.488 ( 9.065 -1.876 13.327) 16.227 11.093 ( 3.420 2.384 4.236) 5.943 12.845 ( 2.645 3.374 -11.338) 12.122 12.983 ( 4.188 2.218 -4.697) 6.672 ======================= Grid point 292 (102/146) ======================= q-point: ( 0.36 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( -0.000 2.165 18.154) 18.282 1.534 ( -0.000 5.010 21.548) 22.123 2.390 ( -0.000 11.881 8.415) 14.559 2.781 ( 0.000 -10.231 -8.902) 13.562 2.910 ( 0.000 -2.796 -12.361) 12.673 3.146 ( 0.000 -5.963 -16.666) 17.701 4.287 ( -0.000 1.538 5.224) 5.446 4.319 ( -0.000 -3.944 3.123) 5.031 4.472 ( -0.000 2.266 2.551) 3.411 4.542 ( 0.000 -7.087 -2.442) 7.496 4.654 ( -0.000 1.293 1.687) 2.125 5.106 ( 0.000 -9.184 -0.479) 9.197 5.530 ( 0.000 -2.838 -4.055) 4.950 5.617 ( -0.000 -12.171 9.585) 15.492 6.113 ( 0.000 3.898 -7.590) 8.532 6.487 ( -0.000 -3.817 5.134) 6.398 6.678 ( 0.000 -3.286 -2.984) 4.438 6.760 ( -0.000 11.053 0.248) 11.055 7.223 ( 0.000 -2.274 0.445) 2.318 7.543 ( -0.000 6.261 6.801) 9.244 7.807 ( 0.000 5.424 -2.767) 6.089 7.851 ( -0.000 9.220 2.130) 9.463 8.147 ( -0.000 -5.461 1.505) 5.665 8.182 ( -0.000 -1.218 3.244) 3.465 9.322 ( -0.000 0.575 6.844) 6.868 9.983 ( -0.000 17.157 19.105) 25.678 10.770 ( 0.000 0.840 -13.719) 13.745 11.086 ( 0.000 3.714 -9.057) 9.789 12.801 ( 0.000 -10.422 0.773) 10.450 13.037 ( 0.000 -4.863 -3.237) 5.842 ======================= Grid point 293 (103/146) ======================= q-point: ( 0.45 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.481 ( 1.176 4.014 15.314) 15.875 1.712 ( 1.484 4.736 18.642) 19.291 2.489 ( -1.995 0.048 -4.639) 5.050 2.578 ( -4.057 -4.661 -4.458) 7.619 2.868 ( 0.866 0.723 -8.096) 8.175 2.982 ( 0.185 -8.879 -13.941) 16.529 4.238 ( -4.441 -6.245 1.381) 7.786 4.318 ( -1.701 -3.146 1.362) 3.827 4.447 ( -0.387 -0.799 1.451) 1.701 4.531 ( 3.243 -3.703 0.698) 4.971 4.703 ( 1.467 2.713 2.818) 4.178 5.069 ( 2.366 -2.702 1.065) 3.746 5.430 ( -1.541 -3.200 0.545) 3.594 5.681 ( 9.903 -10.146 5.254) 15.120 6.066 ( -4.821 3.176 -5.242) 7.798 6.483 ( -3.910 0.622 -2.595) 4.733 6.541 ( -6.203 -1.659 1.791) 6.666 6.855 ( -1.634 7.094 -1.173) 7.374 7.242 ( 4.074 -2.957 2.013) 5.422 7.586 ( -5.501 2.692 1.727) 6.364 7.804 ( -2.675 8.762 2.194) 9.420 7.943 ( -0.909 5.785 4.869) 7.616 8.145 ( 4.064 -5.129 1.470) 6.707 8.281 ( 10.133 -0.580 -0.284) 10.154 9.392 ( 3.643 -0.358 7.256) 8.127 10.262 ( 1.046 16.241 17.525) 23.916 10.627 ( -8.691 3.430 -15.824) 18.376 11.063 ( -0.972 1.919 -5.441) 5.851 12.734 ( 2.792 -9.436 0.230) 9.843 12.962 ( -0.337 -5.721 -4.129) 7.063 ======================= Grid point 294 (104/146) ======================= q-point: ( 0.55 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( 3.165 4.886 11.379) 12.782 1.886 ( 2.547 4.398 12.744) 13.720 2.320 ( -4.859 -4.694 -5.777) 8.889 2.519 ( -1.519 -2.331 -4.169) 5.012 2.754 ( -4.698 -7.268 -6.870) 11.050 2.874 ( -0.623 -3.314 -8.294) 8.954 4.111 ( -3.200 -6.192 -0.605) 6.996 4.226 ( -0.984 -6.629 -3.870) 7.739 4.447 ( -2.106 0.443 0.704) 2.264 4.574 ( 5.435 -3.777 -0.429) 6.633 4.799 ( 3.801 4.910 6.559) 9.032 5.097 ( 0.760 1.198 -1.328) 1.943 5.486 ( 7.903 -0.549 5.250) 9.504 5.763 ( 5.471 -4.905 1.808) 7.567 5.978 ( -3.230 -1.896 -1.032) 3.885 6.268 ( -17.048 4.624 -7.158) 19.060 6.562 ( 2.623 -2.833 6.376) 7.453 6.829 ( -5.704 4.060 -2.549) 7.451 7.296 ( 3.436 -3.485 3.282) 5.893 7.480 ( -6.243 -0.635 -2.231) 6.660 7.886 ( -1.914 7.407 4.725) 8.992 8.004 ( -1.030 5.349 5.469) 7.719 8.197 ( 6.663 -3.917 1.242) 7.829 8.426 ( 8.778 0.241 -3.382) 9.410 9.520 ( 7.803 -2.013 8.726) 11.877 10.345 ( -12.697 5.043 -14.503) 19.924 10.553 ( 0.114 13.069 12.369) 17.994 11.016 ( -3.727 -0.708 0.551) 3.833 12.722 ( 5.023 -5.840 -1.877) 7.928 12.879 ( -0.054 -5.138 -5.304) 7.385 ======================= Grid point 295 (105/146) ======================= q-point: ( 0.64 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.794 ( 4.557 2.549 7.534) 9.166 1.989 ( -1.926 4.212 3.330) 5.704 2.216 ( -1.150 -5.894 -0.591) 6.034 2.439 ( -2.714 -0.853 -5.321) 6.033 2.617 ( 0.311 -6.360 1.429) 6.525 2.744 ( -4.211 -3.536 -7.022) 8.918 4.040 ( 0.549 -3.517 -1.730) 3.958 4.149 ( 1.553 -5.058 -4.883) 7.200 4.416 ( -1.577 0.154 -0.773) 1.763 4.592 ( 2.598 -3.120 -3.609) 5.432 4.973 ( 5.921 3.643 6.119) 9.262 5.115 ( 2.305 2.705 -2.319) 4.244 5.641 ( 3.267 1.432 3.702) 5.141 5.756 ( -2.719 1.641 -2.544) 4.069 5.950 ( -10.003 -1.265 1.133) 10.147 6.020 ( -0.598 -0.666 0.471) 1.011 6.605 ( -0.214 -2.463 6.602) 7.050 6.749 ( -4.135 0.165 -1.497) 4.400 7.281 ( -4.713 -0.010 0.209) 4.718 7.419 ( 3.741 -5.901 -0.039) 6.987 7.917 ( -3.220 3.764 4.019) 6.379 8.062 ( -1.465 4.275 3.568) 5.758 8.282 ( 4.346 0.173 0.711) 4.407 8.505 ( 4.366 0.006 -5.375) 6.924 9.703 ( 11.196 -4.087 10.460) 15.858 10.073 ( -12.848 3.948 -16.088) 20.964 10.718 ( -3.804 7.004 12.623) 14.929 10.961 ( -3.036 0.173 4.668) 5.571 12.758 ( 5.834 -1.963 -3.558) 7.110 12.811 ( 0.826 -2.811 -6.374) 7.015 ======================= Grid point 296 (106/146) ======================= q-point: (-0.27 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.887 ( -1.101 -2.178 1.627) 2.932 1.940 ( -2.760 -0.049 0.504) 2.806 2.107 ( -7.516 -4.096 0.028) 8.560 2.425 ( 6.282 -1.305 -0.480) 6.434 2.579 ( -0.775 -2.061 -2.045) 3.005 2.755 ( 8.848 2.084 0.851) 9.130 4.027 ( 1.808 -1.742 -1.839) 3.112 4.127 ( 3.087 -2.166 -4.025) 5.516 4.399 ( -0.096 0.122 -0.617) 0.637 4.569 ( 0.699 -0.756 -5.468) 5.564 5.058 ( 0.714 2.089 0.641) 2.299 5.211 ( 5.580 0.654 -3.001) 6.369 5.556 ( -17.128 5.935 -1.218) 18.168 5.677 ( -8.851 7.740 -3.556) 12.284 5.834 ( 3.670 -5.798 4.641) 8.284 6.166 ( 10.726 -4.190 7.123) 13.541 6.553 ( -7.284 0.546 1.015) 7.374 6.726 ( 2.846 -7.180 6.733) 10.246 7.211 ( -3.312 1.365 -1.671) 3.953 7.440 ( 5.051 -6.542 0.580) 8.285 7.914 ( -3.768 2.537 3.657) 5.831 8.073 ( -1.970 0.693 2.154) 3.000 8.310 ( -2.865 4.503 -3.435) 6.347 8.512 ( 0.819 -0.183 -4.365) 4.445 9.804 ( -7.327 2.965 -8.723) 11.771 9.959 ( 11.510 -5.876 7.901) 15.147 10.673 ( -11.739 -2.167 12.285) 17.129 11.009 ( 1.907 2.681 3.748) 4.987 12.776 ( 1.660 0.870 -6.922) 7.171 12.827 ( 5.646 1.187 -4.307) 7.199 ======================= Grid point 297 (107/146) ======================= q-point: (-0.18 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( -10.582 -4.110 -0.094) 11.352 1.895 ( -12.303 0.478 -0.529) 12.323 2.029 ( 6.685 -2.823 2.933) 7.827 2.554 ( 9.458 -3.224 0.975) 10.040 2.619 ( 7.596 1.260 -0.840) 7.746 2.943 ( 10.552 3.639 -2.263) 11.389 4.038 ( 1.541 0.297 -1.357) 2.074 4.150 ( 3.435 -0.300 -1.782) 3.881 4.400 ( -0.881 -0.096 2.078) 2.259 4.551 ( 1.256 3.031 -7.748) 8.414 5.061 ( -6.821 1.429 -0.396) 6.980 5.158 ( -4.265 2.471 -4.941) 6.979 5.390 ( -6.941 2.356 -0.556) 7.351 5.646 ( -3.533 8.109 -3.035) 9.351 5.902 ( 5.016 -1.032 4.697) 6.949 6.277 ( 2.769 -5.844 4.413) 7.828 6.467 ( -0.236 -6.286 4.433) 7.695 6.752 ( 3.304 -8.018 7.213) 11.279 7.190 ( -0.504 2.559 -1.287) 2.908 7.462 ( 4.267 -4.974 -0.037) 6.554 7.878 ( -6.026 1.572 2.866) 6.855 8.040 ( -2.702 -2.439 1.663) 4.002 8.256 ( -5.459 6.530 -5.487) 10.127 8.482 ( -3.117 2.335 -2.297) 4.522 9.665 ( -5.315 3.110 -9.161) 11.039 10.150 ( 8.984 -8.811 12.650) 17.843 10.536 ( -9.298 -3.805 13.577) 16.890 11.059 ( 2.594 -2.379 -1.251) 3.735 12.791 ( 1.979 5.297 -7.220) 9.171 12.906 ( 4.971 2.944 -4.168) 7.124 ======================= Grid point 304 (108/146) ======================= q-point: ( 0.45 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( -0.000 2.641 13.834) 14.084 1.859 ( -0.000 3.038 19.193) 19.432 2.479 ( 0.000 -9.491 -11.343) 14.790 2.486 ( 0.000 1.742 -8.195) 8.378 2.828 ( 0.000 -9.915 -9.161) 13.499 2.853 ( 0.000 5.954 -4.777) 7.634 4.186 ( 0.000 -11.055 -2.080) 11.249 4.351 ( -0.000 -2.315 3.172) 3.926 4.357 ( 0.000 -7.809 -1.740) 8.000 4.538 ( -0.000 1.361 3.429) 3.689 4.762 ( -0.000 5.877 5.796) 8.254 5.046 ( -0.000 0.346 3.095) 3.115 5.448 ( 0.000 -0.780 -4.357) 4.427 5.492 ( -0.000 -12.792 8.991) 15.636 6.115 ( 0.000 3.654 -5.485) 6.590 6.464 ( -0.000 -3.927 2.944) 4.908 6.597 ( 0.000 1.304 -6.613) 6.740 6.948 ( -0.000 9.443 -2.079) 9.670 7.194 ( -0.000 -1.758 1.488) 2.303 7.681 ( -0.000 1.731 2.927) 3.401 7.922 ( -0.000 7.466 2.009) 7.731 7.957 ( 0.000 -3.189 0.437) 3.219 8.134 ( -0.000 3.513 4.139) 5.429 8.174 ( -0.000 -2.791 2.141) 3.517 9.398 ( -0.000 -0.842 6.861) 6.913 10.506 ( -0.000 15.276 16.016) 22.133 10.648 ( 0.000 5.193 -15.850) 16.679 11.047 ( 0.000 3.986 -9.079) 9.916 12.628 ( -0.000 -10.675 3.670) 11.288 12.882 ( 0.000 -6.698 -3.930) 7.766 ======================= Grid point 305 (109/146) ======================= q-point: ( 0.55 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.701 ( 2.052 2.091 10.999) 11.382 1.984 ( -0.097 1.338 15.472) 15.530 2.298 ( -3.303 -5.422 -10.425) 12.206 2.458 ( 0.858 0.219 -8.827) 8.871 2.678 ( -2.122 -10.192 -3.946) 11.134 2.872 ( -1.482 4.401 -5.209) 6.979 4.067 ( -0.664 -9.359 -1.739) 9.542 4.193 ( -5.914 -6.347 -1.048) 8.739 4.424 ( 6.161 -3.717 -0.012) 7.195 4.538 ( -3.182 0.271 2.851) 4.281 4.851 ( 0.303 5.753 6.134) 8.416 5.115 ( 1.555 3.486 2.407) 4.513 5.383 ( 3.239 -4.322 2.941) 6.150 5.574 ( 10.619 -6.727 2.985) 12.920 6.054 ( -5.869 0.625 -3.332) 6.777 6.466 ( -2.113 0.801 -3.790) 4.413 6.518 ( -3.348 0.882 -1.882) 3.941 6.959 ( -5.708 6.453 -3.153) 9.174 7.215 ( 3.129 -2.801 1.951) 4.630 7.606 ( -9.217 -0.250 -0.541) 9.236 8.001 ( 2.333 5.054 3.687) 6.677 8.007 ( 5.407 -2.261 0.802) 5.916 8.106 ( -1.748 -1.308 4.414) 4.924 8.299 ( 7.766 2.219 0.978) 8.136 9.460 ( 3.668 -1.550 7.509) 8.499 10.504 ( -11.091 6.981 -16.525) 21.091 10.730 ( 1.080 11.265 11.514) 16.144 11.035 ( 0.023 2.499 -5.776) 6.293 12.593 ( 3.480 -7.991 3.878) 9.539 12.801 ( 0.041 -5.654 -3.555) 6.679 ======================= Grid point 306 (110/146) ======================= q-point: ( 0.64 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.812 ( 2.497 0.836 8.092) 8.510 2.054 ( -0.551 -0.416 3.959) 4.019 2.183 ( -0.709 -2.283 -2.012) 3.124 2.403 ( -1.833 -1.856 -7.460) 7.904 2.564 ( 0.271 -5.802 1.483) 5.995 2.796 ( -7.066 1.118 -5.141) 8.809 3.994 ( 0.229 -4.639 0.404) 4.662 4.072 ( -1.611 -3.748 -2.464) 4.766 4.456 ( 0.308 -2.135 0.594) 2.238 4.507 ( 0.152 -0.326 -1.606) 1.646 4.964 ( 3.737 3.964 5.201) 7.532 5.131 ( -1.807 2.514 -0.893) 3.223 5.515 ( 10.871 -3.628 6.398) 13.125 5.709 ( 10.006 -4.129 2.512) 11.112 5.944 ( -4.609 -0.209 -2.155) 5.092 6.286 ( -16.173 6.774 -8.386) 19.437 6.553 ( 4.351 -4.431 4.980) 7.960 6.864 ( -8.758 3.872 -4.292) 10.494 7.255 ( 4.657 -4.627 1.768) 6.799 7.443 ( -9.410 -0.614 -1.040) 9.487 8.017 ( -2.471 1.196 3.049) 4.103 8.073 ( 1.952 -0.158 -2.808) 3.423 8.203 ( 8.364 -0.589 7.752) 11.419 8.421 ( 4.691 2.599 -2.170) 5.785 9.576 ( 7.463 -3.374 9.114) 12.253 10.250 ( -15.076 7.162 -17.317) 24.051 10.878 ( -0.341 5.506 8.197) 9.881 11.010 ( -1.998 -0.095 -1.037) 2.253 12.634 ( 5.708 -3.252 1.911) 6.841 12.747 ( 0.488 -2.326 -2.877) 3.732 ======================= Grid point 307 (111/146) ======================= q-point: (-0.27 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.879 ( 1.359 -2.113 5.709) 6.237 1.985 ( -4.244 -1.995 -5.431) 7.176 2.203 ( -1.583 0.776 5.275) 5.562 2.292 ( 0.043 -5.860 -4.224) 7.224 2.613 ( 4.363 1.080 2.009) 4.923 2.664 ( -4.196 1.249 -3.305) 5.485 3.992 ( 1.226 -0.156 1.742) 2.135 4.043 ( 2.011 -0.423 -3.299) 3.887 4.432 ( -1.942 -0.132 2.826) 3.432 4.507 ( 2.022 -0.189 -5.350) 5.722 5.074 ( 2.326 1.793 3.691) 4.717 5.137 ( 1.807 2.315 -3.003) 4.200 5.671 ( 7.456 -3.497 7.172) 10.921 5.775 ( -1.696 3.209 -3.810) 5.262 5.939 ( 2.332 -4.123 3.465) 5.869 6.024 ( -12.631 3.141 -5.414) 14.096 6.607 ( 3.510 -5.760 6.658) 9.478 6.716 ( -8.632 0.449 -4.859) 9.915 7.290 ( -0.157 -1.460 1.261) 1.936 7.314 ( -1.465 -2.353 -1.370) 3.092 8.004 ( -2.720 0.719 3.598) 4.567 8.067 ( 0.674 -1.740 -2.877) 3.429 8.363 ( 5.045 1.750 5.409) 7.601 8.461 ( 0.693 2.232 -4.865) 5.397 9.743 ( 11.002 -5.550 11.027) 16.536 9.982 ( -13.678 6.519 -14.883) 21.239 10.882 ( -8.078 -1.254 8.765) 11.985 10.986 ( 1.717 -2.527 -2.453) 3.918 12.725 ( 5.759 1.200 -0.128) 5.884 12.745 ( 1.415 2.253 -2.286) 3.508 ======================= Grid point 308 (112/146) ======================= q-point: (-0.18 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.837 ( -7.481 -1.349 -1.261) 7.705 1.925 ( 4.073 -3.499 2.698) 6.009 2.106 ( -11.284 2.456 1.096) 11.600 2.327 ( 10.145 -6.703 -1.729) 12.282 2.622 ( -1.732 5.333 1.820) 5.895 2.768 ( 10.628 0.109 -2.802) 10.992 4.032 ( 0.535 2.965 0.416) 3.042 4.078 ( 4.059 1.160 -2.047) 4.692 4.445 ( -0.585 1.852 5.159) 5.512 4.504 ( 1.831 1.465 -6.688) 7.087 5.123 ( -0.240 3.407 1.415) 3.697 5.168 ( 1.557 1.143 -3.995) 4.438 5.630 ( -16.457 3.481 -2.333) 16.982 5.772 ( -2.550 4.428 -1.233) 5.256 5.847 ( 1.822 0.240 6.809) 7.052 6.070 ( 11.775 -11.304 0.502) 16.330 6.531 ( -9.119 -2.486 -1.845) 9.630 6.649 ( 4.082 -9.114 4.979) 11.159 7.243 ( -3.110 3.232 0.165) 4.488 7.343 ( 5.085 -3.406 -0.657) 6.155 7.978 ( -3.726 -0.298 2.789) 4.663 8.031 ( -0.383 -3.551 -1.517) 3.880 8.398 ( -5.852 7.053 -2.828) 9.591 8.494 ( 3.360 0.751 0.681) 3.510 9.767 ( -9.951 5.817 -10.186) 15.383 9.952 ( 13.234 -7.775 11.519) 19.190 10.757 ( -11.567 -3.586 11.256) 16.534 10.946 ( 2.513 -7.928 -6.994) 10.867 12.791 ( 1.339 6.482 -2.138) 6.956 12.836 ( 5.331 3.814 -1.908) 6.827 ======================= Grid point 316 (113/146) ======================= q-point: ( 0.55 0.55 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.749 ( -0.000 -0.433 8.857) 8.868 2.065 ( -0.000 -3.112 11.778) 12.182 2.207 ( 0.000 -3.684 -9.577) 10.261 2.428 ( 0.000 4.092 -7.419) 8.472 2.599 ( 0.000 -8.835 0.239) 8.838 2.903 ( 0.000 6.269 -6.242) 8.846 3.989 ( 0.000 -6.061 0.123) 6.063 4.236 ( -0.000 -4.792 1.275) 4.959 4.292 ( 0.000 -4.702 -0.383) 4.717 4.585 ( -0.000 -1.362 3.673) 3.918 4.948 ( -0.000 5.004 5.398) 7.361 5.132 ( -0.000 1.946 4.597) 4.992 5.381 ( -0.000 -10.658 7.692) 13.143 5.395 ( 0.000 2.809 -6.681) 7.247 6.084 ( 0.000 -1.870 -2.357) 3.009 6.422 ( -0.000 -4.117 2.650) 4.896 6.577 ( 0.000 7.718 -10.539) 13.063 7.038 ( 0.000 4.501 -3.258) 5.557 7.192 ( 0.000 -0.298 -0.115) 0.319 7.700 ( 0.000 -0.658 -0.547) 0.856 7.871 ( -0.000 -5.394 2.144) 5.804 8.032 ( 0.000 1.162 -1.595) 1.974 8.193 ( -0.000 0.365 8.184) 8.192 8.241 ( -0.000 1.869 1.881) 2.651 9.465 ( -0.000 -1.048 6.995) 7.073 10.575 ( 0.000 8.149 -16.511) 18.412 10.845 ( -0.000 4.919 4.405) 6.603 11.023 ( 0.000 5.164 -6.576) 8.362 12.529 ( -0.000 -7.339 8.063) 10.903 12.741 ( 0.000 -3.815 -1.074) 3.964 ======================= Grid point 317 (114/146) ======================= q-point: ( 0.64 0.55 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.805 ( 2.708 -2.187 6.181) 7.093 2.057 ( -1.150 -3.750 0.646) 3.976 2.150 ( 0.338 -3.752 -0.927) 3.880 2.422 ( -1.982 4.955 -4.116) 6.739 2.534 ( -0.961 -4.003 2.773) 4.963 2.886 ( -4.436 5.017 -6.186) 9.117 3.969 ( 0.259 -1.220 3.092) 3.334 4.110 ( -6.501 -2.953 1.915) 7.393 4.350 ( 6.481 -2.529 -1.149) 7.051 4.559 ( -3.212 -1.970 2.702) 4.637 4.997 ( -0.259 3.414 3.145) 4.649 5.169 ( -0.865 -3.388 4.006) 5.317 5.372 ( 7.216 -0.043 2.088) 7.512 5.495 ( 10.271 -3.716 -0.495) 10.934 6.006 ( -4.633 -2.029 -1.847) 5.385 6.417 ( -0.060 -2.623 -0.190) 2.630 6.545 ( -4.169 7.374 -7.764) 11.491 7.007 ( -6.759 3.940 -4.799) 9.178 7.172 ( 1.010 -3.319 0.257) 3.479 7.589 ( -9.145 -0.912 -0.028) 9.190 7.929 ( 7.296 -3.739 -0.290) 8.204 8.057 ( 4.135 -0.339 -1.223) 4.325 8.175 ( -2.681 -0.674 6.133) 6.727 8.358 ( 6.270 1.048 3.130) 7.086 9.520 ( 3.089 -1.926 7.538) 8.371 10.443 ( -12.211 8.629 -16.728) 22.436 10.886 ( 3.132 -2.049 -3.329) 5.009 11.041 ( -0.918 3.999 -2.062) 4.593 12.557 ( 3.471 -3.665 8.272) 9.691 12.726 ( 0.220 -0.010 1.398) 1.415 ======================= Grid point 318 (115/146) ======================= q-point: (-0.27 -0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.850 ( 2.351 -4.871 3.815) 6.619 1.997 ( -2.355 -0.952 -3.164) 4.057 2.110 ( 2.454 -8.090 -0.790) 8.491 2.402 ( -6.464 5.908 2.237) 9.038 2.547 ( 2.615 1.061 0.560) 2.877 2.799 ( -7.364 5.520 -3.091) 9.708 3.996 ( 0.386 0.817 2.646) 2.796 4.048 ( -2.086 1.926 2.820) 4.002 4.412 ( 4.065 -0.280 -1.587) 4.373 4.503 ( -2.893 -1.078 1.477) 3.423 5.057 ( 2.687 2.078 1.415) 3.680 5.149 ( -0.412 -1.594 3.025) 3.444 5.522 ( 10.018 -4.345 3.330) 11.416 5.632 ( 11.867 -4.952 0.642) 12.875 5.911 ( -4.084 0.753 -3.517) 5.442 6.298 ( -12.873 4.567 -6.772) 15.246 6.537 ( 1.687 -2.787 1.988) 3.816 6.848 ( -10.345 0.763 -6.195) 12.082 7.192 ( 3.948 -2.605 0.526) 4.759 7.440 ( -8.865 0.532 0.467) 8.894 7.978 ( 4.050 -2.882 -2.766) 5.689 8.077 ( -2.146 0.015 0.871) 2.316 8.245 ( 9.190 -3.068 4.443) 10.658 8.458 ( 2.929 1.634 1.063) 3.518 9.620 ( 6.568 -3.759 9.046) 11.794 10.195 ( -15.383 8.227 -15.443) 23.299 10.859 ( 3.089 -7.641 -7.505) 11.147 11.023 ( -4.353 0.784 2.170) 4.926 12.659 ( 5.210 0.982 5.597) 7.709 12.763 ( 0.482 3.965 2.587) 4.759 ======================= Grid point 328 (116/146) ======================= q-point: (-0.36 -0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.781 ( -0.000 -4.766 4.599) 6.622 2.025 ( 0.000 -8.275 1.474) 8.405 2.112 ( 0.000 -0.530 -2.498) 2.553 2.469 ( 0.000 7.488 -3.663) 8.336 2.560 ( -0.000 1.488 5.894) 6.079 2.935 ( 0.000 6.049 -7.234) 9.430 4.001 ( -0.000 2.381 5.446) 5.944 4.201 ( 0.000 -3.936 -0.886) 4.035 4.241 ( -0.000 1.147 6.257) 6.361 4.573 ( -0.000 -4.229 2.661) 4.997 5.039 ( -0.000 -0.682 2.509) 2.600 5.154 ( -0.000 -4.361 2.667) 5.112 5.270 ( -0.000 -9.526 4.687) 10.617 5.431 ( 0.000 8.870 -5.251) 10.307 6.012 ( 0.000 -2.926 -1.206) 3.165 6.383 ( -0.000 -3.778 2.239) 4.392 6.603 ( 0.000 9.530 -12.209) 15.488 7.056 ( 0.000 2.352 -5.343) 5.838 7.153 ( 0.000 -1.836 -1.516) 2.381 7.653 ( 0.000 -2.979 -1.536) 3.351 7.842 ( -0.000 -2.423 4.418) 5.039 7.981 ( 0.000 -1.208 -3.876) 4.059 8.237 ( 0.000 -2.573 -0.382) 2.601 8.317 ( -0.000 -0.635 9.765) 9.785 9.525 ( -0.000 -1.576 7.025) 7.200 10.545 ( 0.000 9.636 -15.477) 18.231 10.755 ( 0.000 -8.085 -10.078) 12.921 11.066 ( 0.000 4.289 -4.495) 6.213 12.564 ( -0.000 -2.179 12.055) 12.251 12.756 ( -0.000 2.852 4.581) 5.396 ======================= Grid point 329 (117/146) ======================= q-point: (-0.27 -0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.772 ( 2.322 -7.430 2.840) 8.286 1.935 ( 1.160 -12.266 0.555) 12.333 2.089 ( -3.296 2.853 -2.603) 5.077 2.529 ( 0.215 8.566 -2.118) 8.826 2.608 ( -4.154 7.048 5.724) 9.984 2.916 ( -3.168 6.132 -5.295) 8.698 4.040 ( -2.155 1.694 3.325) 4.309 4.138 ( -2.527 1.206 3.912) 4.810 4.352 ( 3.619 2.363 4.179) 6.012 4.530 ( -1.313 -3.914 1.986) 4.581 5.041 ( 1.771 -2.002 0.289) 2.689 5.116 ( 1.182 -7.318 6.513) 9.868 5.320 ( 9.018 -5.810 0.662) 10.748 5.510 ( 3.744 5.889 -1.562) 7.151 5.956 ( -3.021 -0.372 -1.989) 3.636 6.362 ( -0.021 -3.662 -0.695) 3.727 6.573 ( -4.681 7.044 -9.902) 13.022 6.954 ( -7.823 -1.131 -9.072) 12.032 7.145 ( 1.068 -0.062 1.998) 2.266 7.569 ( -6.018 -1.294 -0.461) 6.173 7.858 ( 3.614 -3.705 -0.747) 5.229 8.031 ( 6.938 -0.847 -1.895) 7.242 8.181 ( -1.521 -3.127 3.370) 4.842 8.408 ( 4.742 -2.045 5.857) 7.808 9.573 ( 2.595 -2.105 7.866) 8.546 10.398 ( -12.571 5.512 -14.944) 20.292 10.659 ( 4.097 -9.026 -12.325) 15.817 11.073 ( -0.486 3.286 -3.454) 4.792 12.655 ( 2.793 1.075 11.262) 11.653 12.825 ( 0.111 4.908 5.444) 7.331 ======================= Grid point 340 (118/146) ======================= q-point: (-0.27 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.692 ( -0.000 -9.924 3.030) 10.376 1.795 ( 0.000 -15.724 0.018) 15.724 2.155 ( 0.000 6.510 -1.710) 6.731 2.588 ( 0.000 8.588 -3.264) 9.187 2.790 ( -0.000 14.287 6.950) 15.888 2.942 ( 0.000 4.004 -6.285) 7.452 4.116 ( -0.000 2.969 2.780) 4.067 4.134 ( 0.000 -2.830 -0.254) 2.842 4.439 ( -0.000 6.610 12.432) 14.080 4.487 ( 0.000 -6.824 -0.275) 6.830 4.973 ( -0.000 -7.717 2.326) 8.060 5.106 ( -0.000 -3.663 4.429) 5.747 5.205 ( -0.000 -2.836 3.655) 4.627 5.543 ( -0.000 7.228 -1.620) 7.407 5.970 ( 0.000 0.856 -1.866) 2.053 6.307 ( 0.000 -5.787 -1.823) 6.067 6.619 ( 0.000 8.252 -12.111) 14.655 6.935 ( 0.000 -2.848 -11.640) 11.983 7.166 ( -0.000 1.534 2.563) 2.987 7.561 ( 0.000 -4.831 -1.452) 5.045 7.845 ( -0.000 -2.884 1.730) 3.363 7.916 ( 0.000 -0.504 -4.253) 4.283 8.189 ( -0.000 -2.771 3.240) 4.263 8.378 ( -0.000 -4.517 7.758) 8.977 9.587 ( -0.000 -1.211 8.165) 8.254 10.366 ( 0.000 -16.656 -14.555) 22.120 10.544 ( 0.000 9.433 -13.993) 16.875 11.078 ( 0.000 4.833 -6.376) 8.001 12.725 ( -0.000 2.094 13.629) 13.789 12.906 ( -0.000 5.077 5.975) 7.841 ======================= Grid point 401 (119/146) ======================= q-point: ( 0.27 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 146 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.280 ( -0.000 -0.000 23.483) 23.483 1.280 ( -0.000 -0.000 23.483) 23.483 1.898 ( -0.000 -0.000 26.058) 26.058 3.081 ( 0.000 0.000 -12.549) 12.549 3.211 ( 0.000 0.000 -16.611) 16.611 3.211 ( 0.000 0.000 -16.611) 16.611 4.283 ( 0.000 0.000 -0.147) 0.147 4.342 ( -0.000 -0.000 4.968) 4.968 4.342 ( -0.000 -0.000 4.968) 4.968 4.639 ( -0.000 -0.000 1.364) 1.364 4.639 ( 0.000 -0.000 1.364) 1.364 5.546 ( 0.000 0.000 -14.159) 14.159 5.608 ( -0.000 -0.000 7.414) 7.414 5.608 ( 0.000 0.000 7.414) 7.414 6.317 ( -0.000 -0.000 -3.518) 3.518 6.317 ( 0.000 0.000 -3.518) 3.518 6.759 ( -0.000 -0.000 1.866) 1.866 6.814 ( 0.000 0.000 -0.541) 0.541 7.254 ( -0.000 -0.000 3.107) 3.107 7.254 ( 0.000 0.000 3.107) 3.107 7.674 ( -0.000 0.000 -4.756) 4.756 7.674 ( 0.000 0.000 -4.756) 4.756 8.168 ( -0.000 -0.000 5.416) 5.416 8.191 ( -0.000 -0.000 3.959) 3.959 9.363 ( -0.000 -0.000 17.524) 17.524 9.363 ( 0.000 -0.000 17.524) 17.524 10.974 ( 0.000 0.000 -12.319) 12.319 10.974 ( 0.000 0.000 -12.319) 12.319 13.016 ( -0.000 -0.000 0.549) 0.549 13.138 ( 0.000 0.000 -1.690) 1.690 ======================= Grid point 402 (120/146) ======================= q-point: ( 0.36 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( -4.513 -2.605 23.710) 24.276 1.446 ( 2.837 1.638 21.220) 21.472 2.184 ( 11.145 6.434 19.488) 23.354 2.878 ( -10.542 -6.086 -12.212) 17.243 3.042 ( -2.156 -1.245 -15.802) 15.997 3.192 ( 2.517 1.453 -17.320) 17.562 4.265 ( -1.355 -0.782 3.894) 4.197 4.355 ( -1.402 -0.809 4.362) 4.653 4.414 ( 1.422 0.821 4.136) 4.451 4.635 ( 0.138 0.080 0.482) 0.508 4.662 ( 1.355 0.782 0.298) 1.593 5.412 ( -11.130 -6.426 6.697) 14.493 5.433 ( -1.198 -0.691 -13.102) 13.175 5.886 ( 10.380 5.993 8.843) 14.895 6.076 ( -10.222 -5.902 -5.311) 12.943 6.445 ( 2.477 1.430 -4.564) 5.386 6.660 ( -7.999 -4.618 3.658) 9.935 6.770 ( -1.957 -1.130 0.041) 2.260 7.278 ( 2.918 1.685 4.132) 5.332 7.383 ( 5.301 3.061 2.556) 6.634 7.579 ( -2.531 -1.461 -5.424) 6.162 7.754 ( 4.661 2.691 -0.538) 5.409 8.203 ( 0.527 0.304 4.548) 4.589 8.274 ( 6.444 3.721 -0.171) 7.443 9.358 ( -2.411 -1.392 16.695) 16.925 9.671 ( 10.220 5.901 18.137) 21.639 10.756 ( -7.379 -4.260 -15.140) 17.372 11.014 ( 4.448 2.568 -9.943) 11.191 12.978 ( -3.158 -1.823 0.030) 3.647 13.108 ( -1.647 -0.951 -2.202) 2.910 ======================= Grid point 403 (121/146) ======================= q-point: ( 0.45 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.432 ( -0.415 -0.240 19.885) 19.891 1.646 ( 4.813 2.779 17.052) 17.935 2.489 ( 6.997 4.040 10.741) 13.441 2.575 ( -10.758 -6.211 -9.720) 15.773 2.894 ( -3.379 -1.951 -13.235) 13.798 3.111 ( -0.197 -0.114 -16.623) 16.625 4.256 ( -3.353 -1.936 3.942) 5.525 4.337 ( -2.407 -1.390 3.354) 4.356 4.425 ( -0.591 -0.341 2.535) 2.625 4.663 ( 1.431 0.826 2.491) 2.989 4.693 ( 1.604 0.926 -1.066) 2.138 5.299 ( -2.496 -1.441 7.276) 7.826 5.344 ( -0.307 -0.177 -11.784) 11.790 5.858 ( -6.747 -3.895 -5.369) 9.461 6.105 ( 2.382 1.375 7.744) 8.218 6.363 ( -2.818 -1.627 -4.285) 5.381 6.515 ( -7.862 -4.539 4.039) 9.936 6.770 ( 0.366 0.212 0.164) 0.454 7.356 ( 0.001 0.001 2.086) 2.086 7.488 ( 3.457 1.996 2.518) 4.719 7.548 ( 3.337 1.927 -0.770) 3.930 7.832 ( 1.608 0.928 4.144) 4.541 8.246 ( 1.428 0.824 2.958) 3.387 8.422 ( 8.343 4.817 -5.572) 11.130 9.463 ( 3.006 1.735 15.651) 16.031 9.990 ( 9.566 5.523 17.614) 20.791 10.486 ( -8.857 -5.114 -17.019) 19.856 11.029 ( 1.087 0.628 -5.066) 5.219 12.906 ( -2.682 -1.548 -1.890) 3.628 13.044 ( -2.705 -1.562 -3.637) 4.794 ======================= Grid point 404 (122/146) ======================= q-point: ( 0.55 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.587 ( 5.376 3.104 13.595) 14.945 1.827 ( 3.489 2.014 10.569) 11.311 2.357 ( -4.408 -2.545 -5.252) 7.314 2.551 ( -5.121 -2.957 3.209) 6.728 2.755 ( -3.274 -1.890 -7.706) 8.583 2.993 ( -2.426 -1.401 -14.034) 14.311 4.163 ( -4.889 -2.823 -0.343) 5.656 4.297 ( -2.872 -1.658 2.096) 3.923 4.431 ( 0.265 0.153 -3.478) 3.492 4.710 ( 0.598 0.345 -1.786) 1.915 4.771 ( 6.489 3.746 9.815) 12.348 5.270 ( -0.609 -0.352 -10.079) 10.104 5.347 ( 1.101 0.636 3.704) 3.916 5.765 ( 0.948 0.547 -0.604) 1.250 5.965 ( -11.647 -6.725 -5.292) 14.453 6.382 ( -6.720 -3.880 3.664) 8.582 6.431 ( 3.533 2.040 7.442) 8.487 6.766 ( -0.301 -0.174 0.813) 0.884 7.302 ( -3.404 -1.966 -2.070) 4.443 7.563 ( 2.070 1.195 3.040) 3.867 7.681 ( 5.862 3.385 4.861) 8.334 7.874 ( -0.249 -0.144 5.502) 5.509 8.296 ( 1.925 1.112 1.048) 2.458 8.531 ( 5.613 3.241 -8.309) 10.538 9.663 ( 6.824 3.940 14.384) 16.401 10.193 ( -8.674 -5.008 -16.809) 19.567 10.279 ( 7.808 4.508 16.755) 19.026 10.995 ( -2.921 -1.686 0.612) 3.428 12.853 ( -0.431 -0.249 -4.300) 4.328 12.956 ( -2.751 -1.588 -5.890) 6.692 ======================= Grid point 405 (123/146) ======================= q-point: ( 0.64 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.804 ( 8.487 4.900 7.458) 12.315 1.892 ( -0.828 -0.478 2.930) 3.082 2.337 ( 3.307 1.909 -2.313) 4.464 2.368 ( -11.499 -6.639 0.002) 13.278 2.697 ( 0.341 0.197 2.074) 2.111 2.826 ( -5.769 -3.331 -11.119) 12.961 4.091 ( -0.840 -0.485 -2.723) 2.890 4.244 ( -2.907 -1.678 0.941) 3.486 4.407 ( 1.607 0.928 -8.693) 8.889 4.691 ( -1.499 -0.865 -1.855) 2.537 5.026 ( 10.374 5.989 11.168) 16.377 5.191 ( -1.695 -0.979 -8.014) 8.250 5.325 ( -2.347 -1.355 -3.944) 4.786 5.660 ( -12.949 -7.476 -6.888) 16.463 5.883 ( 5.921 3.418 6.552) 9.470 6.297 ( -2.718 -1.569 4.846) 5.773 6.478 ( -2.308 -1.333 3.038) 4.042 6.806 ( 1.673 0.966 7.506) 7.751 7.221 ( -2.713 -1.567 -2.266) 3.867 7.610 ( 0.438 0.253 3.253) 3.293 7.809 ( 3.365 1.943 4.236) 5.748 7.892 ( -1.011 -0.584 5.336) 5.462 8.322 ( 0.223 0.129 -1.819) 1.837 8.554 ( 1.676 0.967 -9.439) 9.635 9.828 ( -1.534 -0.886 -4.073) 4.442 10.023 ( 3.917 2.262 3.706) 5.847 10.501 ( 3.143 1.815 15.176) 15.604 10.930 ( -4.017 -2.319 5.499) 7.195 12.838 ( 1.899 1.096 -5.960) 6.350 12.863 ( -1.750 -1.010 -8.651) 8.884 ======================= Grid point 406 (124/146) ======================= q-point: (-0.27 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.844 ( -4.134 -2.387 -1.966) 5.162 1.978 ( 1.452 0.838 3.805) 4.158 2.132 ( -7.598 -4.387 -1.999) 8.998 2.426 ( 5.835 3.369 0.739) 6.778 2.686 ( 0.321 0.185 -7.674) 7.683 2.796 ( 5.073 2.929 7.682) 9.661 4.086 ( 1.783 1.029 -3.256) 3.852 4.189 ( -2.681 -1.548 0.187) 3.102 4.406 ( 4.188 2.418 -11.700) 12.660 4.616 ( -4.720 -2.725 -1.843) 5.753 5.101 ( -3.537 -2.042 -4.353) 5.969 5.200 ( -2.834 -1.636 -0.951) 3.407 5.339 ( 9.756 5.633 2.977) 11.652 5.368 ( -10.024 -5.787 -6.294) 13.175 5.973 ( -0.660 -0.381 3.188) 3.278 6.388 ( 6.551 3.782 10.883) 13.254 6.407 ( -4.636 -2.676 0.313) 5.362 6.889 ( 0.088 0.051 11.590) 11.590 7.171 ( -0.572 -0.330 -2.426) 2.514 7.614 ( -1.847 -1.067 2.601) 3.364 7.869 ( 0.464 0.268 1.735) 1.816 7.902 ( -0.874 -0.505 4.825) 4.929 8.274 ( -2.613 -1.509 -4.701) 5.586 8.493 ( -1.806 -1.043 -9.284) 9.515 9.685 ( -3.298 -1.904 -10.431) 11.105 10.269 ( 9.468 5.466 14.264) 17.971 10.534 ( -8.449 -4.878 13.642) 16.772 10.952 ( 2.475 1.429 8.113) 8.602 12.783 ( -0.076 -0.044 -11.469) 11.470 12.859 ( 3.543 2.045 -6.433) 7.624 ======================= Grid point 413 (125/146) ======================= q-point: ( 0.36 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.494 ( -0.000 -4.388 21.976) 22.410 1.600 ( -0.000 2.969 23.660) 23.845 2.272 ( -0.000 8.671 15.490) 17.752 2.867 ( 0.000 -6.108 -11.880) 13.358 2.895 ( 0.000 -5.065 -16.669) 17.421 3.077 ( 0.000 1.689 -17.992) 18.071 4.303 ( -0.000 -0.046 6.196) 6.196 4.394 ( -0.000 -1.676 4.917) 5.195 4.441 ( -0.000 3.007 4.373) 5.307 4.623 ( 0.000 -2.653 -0.765) 2.761 4.651 ( -0.000 0.157 0.371) 0.403 5.283 ( 0.000 -9.429 -8.653) 12.797 5.563 ( -0.000 -3.274 1.540) 3.618 5.819 ( -0.000 -1.259 9.783) 9.863 6.069 ( 0.000 -6.737 -7.888) 10.374 6.472 ( 0.000 10.070 -2.768) 10.444 6.685 ( -0.000 -5.826 2.624) 6.390 6.754 ( 0.000 -4.983 -0.841) 5.054 7.264 ( -0.000 -1.226 1.978) 2.327 7.431 ( -0.000 9.252 5.043) 10.537 7.657 ( 0.000 8.579 -4.084) 9.502 7.693 ( 0.000 4.647 -4.405) 6.403 8.223 ( -0.000 -0.667 4.112) 4.166 8.231 ( -0.000 -1.626 2.790) 3.230 9.440 ( -0.000 -5.891 16.253) 17.287 9.810 ( -0.000 14.426 19.699) 24.416 10.705 ( 0.000 -3.770 -15.653) 16.101 10.932 ( 0.000 5.918 -12.659) 13.974 12.966 ( 0.000 -6.267 1.033) 6.351 13.091 ( 0.000 -2.776 -2.232) 3.562 ======================= Grid point 414 (126/146) ======================= q-point: ( 0.45 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( -1.603 -2.456 20.848) 21.053 1.754 ( -0.748 3.799 20.590) 20.950 2.463 ( 5.357 2.221 5.040) 7.683 2.623 ( -8.304 -4.154 -10.464) 13.989 2.819 ( 1.519 -2.474 -12.331) 12.668 2.984 ( 0.899 -1.350 -16.666) 16.745 4.322 ( -3.385 -1.149 5.283) 6.379 4.383 ( -1.785 -2.140 4.426) 5.230 4.463 ( -2.508 -0.651 2.582) 3.658 4.615 ( 3.754 -3.537 0.217) 5.162 4.679 ( 1.744 1.823 1.508) 2.939 5.169 ( 1.658 -7.974 -5.992) 10.111 5.461 ( -6.130 -0.081 2.317) 6.554 5.859 ( -1.728 -6.196 -2.656) 6.959 6.037 ( 8.326 -2.961 3.463) 9.492 6.434 ( -10.403 2.703 -5.967) 12.294 6.608 ( -3.905 -3.002 4.325) 6.555 6.762 ( 2.183 1.162 -1.406) 2.845 7.312 ( 5.816 -2.858 3.170) 7.214 7.507 ( -4.822 5.781 -0.202) 7.531 7.630 ( -2.271 10.497 0.902) 10.778 7.834 ( 4.778 6.690 -0.155) 8.223 8.234 ( 1.392 -2.383 2.889) 3.995 8.291 ( 6.511 -0.440 -0.576) 6.551 9.503 ( 2.585 -4.134 15.577) 16.322 10.092 ( 3.214 13.899 18.829) 23.623 10.502 ( -8.696 -1.126 -17.338) 19.429 10.956 ( 4.270 4.295 -10.472) 12.097 12.895 ( -1.363 -7.166 0.897) 7.350 13.031 ( -1.495 -4.093 -3.155) 5.380 ======================= Grid point 415 (127/146) ======================= q-point: ( 0.55 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.667 ( -0.126 0.891 17.503) 17.526 1.893 ( 0.163 3.383 13.969) 14.374 2.353 ( -4.720 -4.333 -9.787) 11.698 2.568 ( 0.393 -4.048 -1.766) 4.434 2.756 ( -2.433 0.599 -5.472) 6.018 2.887 ( 1.213 -2.854 -13.411) 13.764 4.218 ( -6.575 -5.339 0.795) 8.506 4.325 ( -2.714 -5.099 0.337) 5.786 4.439 ( -2.587 0.344 1.146) 2.850 4.649 ( 4.239 -3.491 -1.215) 5.624 4.770 ( 4.184 3.296 8.008) 9.617 5.113 ( 2.599 -5.168 -5.929) 8.284 5.468 ( 0.028 5.690 4.957) 7.547 5.754 ( -2.311 0.312 -5.512) 5.985 6.101 ( -5.937 -3.770 1.235) 7.140 6.240 ( -0.846 -8.345 -1.752) 8.569 6.592 ( -2.432 3.990 5.106) 6.921 6.768 ( -0.794 0.492 -1.893) 2.111 7.358 ( -3.218 -0.097 1.057) 3.389 7.474 ( 3.570 -1.884 -0.572) 4.077 7.754 ( 0.404 10.352 5.874) 11.909 7.933 ( 0.109 4.923 3.401) 5.985 8.262 ( 2.931 -1.882 1.356) 3.738 8.392 ( 7.603 0.666 -5.728) 9.542 9.642 ( 7.240 -2.968 15.267) 17.156 10.209 ( -10.211 -0.518 -15.900) 18.903 10.393 ( 2.251 12.748 15.058) 19.858 10.989 ( 1.937 2.014 -5.673) 6.324 12.820 ( -0.569 -5.388 -0.685) 5.461 12.936 ( -2.317 -4.390 -4.965) 7.021 ======================= Grid point 416 (128/146) ======================= q-point: ( 0.64 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.801 ( 3.349 2.563 12.213) 12.921 1.950 ( -3.047 1.944 3.278) 4.880 2.274 ( 2.392 -1.143 -2.816) 3.868 2.458 ( -5.872 -5.248 -4.754) 9.199 2.698 ( -0.325 -1.006 0.946) 1.419 2.782 ( -2.593 -4.816 -9.283) 10.775 4.088 ( -3.241 -3.209 -2.160) 5.046 4.235 ( -0.562 -6.734 -2.366) 7.160 4.393 ( -3.337 1.066 -1.112) 3.676 4.654 ( 2.016 -3.924 -2.701) 5.173 4.964 ( 8.457 2.629 8.923) 12.572 5.081 ( 2.758 -2.172 -4.857) 5.993 5.499 ( -8.672 10.329 -2.658) 13.746 5.758 ( -1.820 -2.102 -1.886) 3.360 5.895 ( -6.976 3.432 0.074) 7.775 6.214 ( 5.337 -12.385 5.428) 14.537 6.599 ( -6.127 4.287 0.577) 7.500 6.786 ( 4.491 -1.683 4.248) 6.407 7.271 ( -6.011 0.669 -1.342) 6.195 7.536 ( 6.182 -5.803 2.208) 8.762 7.859 ( -1.296 5.823 5.364) 8.022 7.986 ( -1.936 5.388 4.339) 7.184 8.294 ( 1.745 -1.058 -0.860) 2.214 8.456 ( 4.691 1.001 -8.159) 9.464 9.828 ( 3.708 -1.082 6.832) 7.849 9.965 ( -2.143 -2.242 -7.539) 8.153 10.626 ( 0.955 10.385 14.610) 17.950 10.983 ( -1.307 -0.032 -0.047) 1.308 12.778 ( 1.303 -2.413 -2.922) 4.007 12.826 ( -2.203 -3.305 -7.331) 8.338 ======================= Grid point 417 (129/146) ======================= q-point: (-0.27 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.890 ( -4.143 0.333 -2.148) 4.679 1.955 ( 4.146 1.381 6.203) 7.588 2.210 ( -8.677 -6.947 -2.220) 11.335 2.380 ( 4.418 3.443 -0.334) 5.611 2.630 ( -2.386 -4.589 -7.280) 8.930 2.768 ( 5.865 -0.006 6.442) 8.712 4.038 ( 0.942 -0.700 -3.734) 3.914 4.166 ( 1.377 -5.538 -3.683) 6.792 4.355 ( -1.920 2.681 -2.829) 4.345 4.610 ( -0.487 -4.591 -2.795) 5.397 5.042 ( 1.645 -1.375 -1.741) 2.762 5.204 ( 8.274 -0.064 1.508) 8.410 5.393 ( -11.733 9.570 -2.971) 15.430 5.542 ( -13.611 3.476 -4.487) 14.747 5.956 ( 2.688 -3.968 3.858) 6.153 6.298 ( 9.292 -4.216 9.602) 14.011 6.516 ( -6.163 2.787 -1.219) 6.873 6.886 ( 5.287 -4.173 8.296) 10.686 7.187 ( -3.719 0.042 -1.470) 3.999 7.574 ( 4.243 -6.672 1.590) 8.065 7.889 ( -2.817 2.382 3.635) 5.179 8.022 ( -3.216 6.030 3.253) 7.569 8.265 ( -1.874 -1.886 -4.025) 4.823 8.460 ( 0.224 1.814 -7.603) 7.820 9.694 ( -6.612 1.268 -11.252) 13.112 10.149 ( 14.281 -5.273 14.898) 21.300 10.737 ( -6.551 3.093 11.715) 13.773 10.988 ( 0.864 1.926 4.651) 5.107 12.725 ( -1.409 -0.841 -9.657) 9.795 12.783 ( 3.079 0.536 -4.717) 5.659 ======================= Grid point 425 (130/146) ======================= q-point: ( 0.45 0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.681 ( -0.000 -2.286 18.723) 18.861 1.936 ( -0.000 2.636 22.545) 22.698 2.435 ( 0.000 -0.608 -4.384) 4.426 2.565 ( 0.000 -8.841 -15.933) 18.221 2.723 ( 0.000 4.486 -6.884) 8.217 2.883 ( 0.000 -2.412 -10.877) 11.141 4.362 ( 0.000 -7.493 1.470) 7.636 4.401 ( -0.000 -0.467 5.978) 5.996 4.498 ( 0.000 -8.239 -2.171) 8.520 4.525 ( -0.000 1.545 3.164) 3.522 4.709 ( -0.000 4.159 5.378) 6.799 5.074 ( 0.000 -3.179 -4.211) 5.276 5.492 ( 0.000 -5.619 0.301) 5.627 5.798 ( -0.000 -12.656 10.334) 16.340 5.947 ( 0.000 5.523 -10.243) 11.637 6.533 ( 0.000 -0.924 -0.075) 0.927 6.633 ( 0.000 -6.045 -1.964) 6.356 6.745 ( -0.000 9.525 -1.198) 9.600 7.245 ( -0.000 -2.614 1.883) 3.222 7.635 ( -0.000 4.945 1.929) 5.308 7.775 ( -0.000 9.259 0.563) 9.276 7.821 ( 0.000 12.189 -4.582) 13.022 8.207 ( -0.000 -4.289 4.142) 5.963 8.237 ( -0.000 -2.181 2.680) 3.455 9.522 ( -0.000 -5.679 14.500) 15.572 10.325 ( -0.000 15.605 18.245) 24.008 10.478 ( 0.000 1.454 -18.018) 18.077 10.888 ( 0.000 6.119 -12.730) 14.124 12.838 ( -0.000 -9.516 2.979) 9.971 12.978 ( 0.000 -5.915 -3.152) 6.703 ======================= Grid point 426 (131/146) ======================= q-point: ( 0.55 0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.771 ( 0.313 -1.248 16.225) 16.276 2.052 ( -3.563 2.279 17.836) 18.331 2.314 ( -4.056 -4.321 -12.749) 14.060 2.444 ( 3.788 -5.119 -11.063) 12.765 2.754 ( 0.699 2.700 -4.158) 5.007 2.797 ( -0.513 -2.583 -5.974) 6.529 4.252 ( -2.953 -10.247 0.036) 10.664 4.309 ( -5.962 -7.011 -0.930) 9.250 4.497 ( 3.255 -2.792 1.900) 4.691 4.544 ( -0.991 -0.440 1.345) 1.728 4.804 ( 1.421 4.266 8.094) 9.259 5.053 ( 0.211 1.934 -3.642) 4.129 5.464 ( 3.853 -3.407 3.671) 6.319 5.762 ( 0.645 -4.862 1.162) 5.040 5.978 ( 4.406 -1.405 -2.134) 5.093 6.385 ( -13.105 0.509 -5.662) 14.285 6.608 ( 2.839 -4.096 3.504) 6.092 6.808 ( -2.286 6.902 -3.486) 8.063 7.287 ( 5.960 -3.544 2.828) 7.488 7.566 ( -9.516 3.525 -3.005) 10.583 7.878 ( 0.563 9.980 4.976) 11.166 7.958 ( 4.891 6.523 -3.063) 8.709 8.202 ( 1.441 -4.043 4.524) 6.236 8.279 ( 4.499 0.091 0.126) 4.502 9.591 ( 4.628 -5.642 14.192) 15.958 10.296 ( -10.396 3.795 -18.079) 21.197 10.581 ( 1.493 13.603 15.092) 20.372 10.914 ( 4.517 5.128 -10.762) 12.749 12.770 ( -0.294 -8.493 3.404) 9.154 12.890 ( -1.311 -6.233 -3.709) 7.371 ======================= Grid point 427 (132/146) ======================= q-point: ( 0.64 0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.865 ( 1.123 -0.178 13.085) 13.134 2.048 ( -5.321 1.032 -1.336) 5.582 2.223 ( 0.943 -1.250 2.070) 2.595 2.386 ( 1.541 -3.697 -10.228) 10.984 2.697 ( -1.159 -4.848 0.891) 5.064 2.756 ( -2.930 -0.385 -4.969) 5.781 4.112 ( -4.625 -6.807 1.011) 8.291 4.153 ( -2.179 -7.958 -3.497) 8.962 4.484 ( -5.125 0.869 2.898) 5.952 4.539 ( 4.077 -4.802 -2.835) 6.908 4.936 ( 4.976 3.182 7.400) 9.468 5.046 ( -1.020 3.692 -4.517) 5.923 5.605 ( 8.723 -0.287 7.426) 11.460 5.728 ( -2.999 3.784 -5.293) 7.164 6.017 ( 6.287 -9.108 4.989) 12.139 6.133 ( -14.856 3.263 -7.336) 16.887 6.668 ( 4.847 -3.326 5.418) 7.994 6.760 ( -5.799 3.714 -4.659) 8.314 7.361 ( 3.543 -4.280 3.726) 6.690 7.427 ( -6.252 0.395 -3.430) 7.142 7.977 ( -1.864 5.674 4.842) 7.689 8.041 ( 2.410 2.797 -1.512) 3.990 8.255 ( 3.756 -0.339 4.910) 6.191 8.348 ( 4.189 2.275 -4.991) 6.902 9.736 ( 9.323 -6.106 14.746) 18.483 10.034 ( -12.711 4.475 -17.595) 22.162 10.793 ( 0.891 10.030 11.968) 15.641 10.962 ( 2.954 2.894 -6.416) 7.633 12.725 ( 0.588 -5.159 2.061) 5.586 12.787 ( -2.010 -4.395 -4.563) 6.646 ======================= Grid point 428 (133/146) ======================= q-point: ( 0.73 0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.941 ( -1.942 0.093 2.500) 3.167 1.966 ( -0.566 -0.061 0.244) 0.619 2.247 ( -3.346 -2.497 1.667) 4.495 2.319 ( 3.271 -0.897 -4.421) 5.572 2.628 ( -6.168 -2.247 -4.677) 8.060 2.699 ( 4.466 -4.206 5.107) 7.982 4.018 ( -2.012 -1.596 -1.144) 2.812 4.065 ( 1.015 -5.458 -2.797) 6.216 4.431 ( -4.328 1.686 1.950) 5.037 4.530 ( 2.446 -4.509 -2.956) 5.920 5.035 ( -0.464 3.666 -1.492) 3.986 5.097 ( 6.706 0.676 1.929) 7.010 5.626 ( -9.436 8.185 -5.074) 13.483 5.737 ( -2.405 1.644 -0.116) 2.916 5.925 ( -6.589 -0.223 -0.708) 6.631 6.129 ( 12.106 -7.850 8.494) 16.743 6.637 ( -7.779 2.944 -3.471) 9.012 6.773 ( 7.185 -5.932 5.012) 10.580 7.278 ( -7.644 1.167 -0.709) 7.765 7.426 ( 5.912 -7.722 0.728) 9.753 7.995 ( -3.403 2.790 4.277) 6.137 8.074 ( 1.594 -0.096 -1.629) 2.281 8.305 ( -3.719 5.129 -0.691) 6.373 8.407 ( 4.780 1.578 -3.359) 6.051 9.785 ( -10.701 4.683 -13.011) 17.485 9.952 ( 13.386 -7.654 14.448) 21.131 10.907 ( -3.344 3.734 7.206) 8.778 10.990 ( 2.440 0.921 -1.072) 2.820 12.701 ( -2.053 -0.332 -5.111) 5.518 12.723 ( 2.003 -1.012 -0.450) 2.289 ======================= Grid point 437 (134/146) ======================= q-point: ( 0.55 0.55 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.836 ( -0.000 -2.467 12.695) 12.932 2.172 ( 0.000 -4.570 -3.826) 5.960 2.243 ( -0.000 -2.886 5.207) 5.953 2.325 ( 0.000 1.570 -8.580) 8.722 2.740 ( 0.000 -5.471 -1.448) 5.659 2.763 ( 0.000 5.074 -4.820) 6.998 4.152 ( 0.000 -11.778 -1.262) 11.845 4.351 ( 0.000 -6.694 0.768) 6.738 4.371 ( 0.000 -4.465 -0.746) 4.527 4.605 ( -0.000 1.544 3.705) 4.014 4.902 ( -0.000 4.976 9.330) 10.574 5.068 ( 0.000 5.394 -2.013) 5.757 5.386 ( 0.000 -4.714 -1.674) 5.003 5.666 ( -0.000 -14.171 9.874) 17.271 5.976 ( 0.000 8.964 -9.229) 12.865 6.500 ( 0.000 -4.112 -4.056) 5.776 6.505 ( -0.000 -2.815 1.660) 3.268 6.886 ( 0.000 8.610 -4.349) 9.646 7.224 ( -0.000 -2.249 1.775) 2.865 7.677 ( 0.000 1.943 -2.373) 3.067 7.899 ( 0.000 2.875 -5.463) 6.173 7.967 ( -0.000 6.043 1.493) 6.225 8.232 ( -0.000 0.618 5.089) 5.126 8.241 ( -0.000 -0.770 5.696) 5.748 9.583 ( -0.000 -5.641 13.040) 14.208 10.328 ( 0.000 6.456 -18.651) 19.737 10.751 ( -0.000 9.289 8.000) 12.259 10.861 ( 0.000 7.519 -8.701) 11.500 12.722 ( -0.000 -8.590 6.241) 10.618 12.824 ( 0.000 -6.120 -2.279) 6.531 ======================= Grid point 438 (135/146) ======================= q-point: ( 0.64 0.55 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.891 ( 2.029 -2.760 8.729) 9.378 2.042 ( -1.187 -1.698 -13.262) 13.423 2.278 ( -2.053 -3.467 11.534) 12.217 2.311 ( 0.138 2.870 -4.940) 5.715 2.670 ( -1.461 -6.480 2.365) 7.051 2.773 ( -1.166 2.929 -5.294) 6.162 4.057 ( -0.223 -7.442 0.764) 7.485 4.196 ( -7.714 -5.317 1.355) 9.467 4.405 ( 5.090 -4.251 -1.515) 6.802 4.597 ( -4.524 0.020 3.412) 5.666 4.965 ( -0.675 2.955 5.988) 6.712 5.105 ( -2.430 7.350 -3.991) 8.710 5.435 ( 11.332 -4.314 3.485) 12.616 5.669 ( 7.346 -10.257 6.456) 14.172 5.969 ( -3.081 4.342 -5.752) 7.837 6.328 ( -10.736 2.084 -7.408) 13.209 6.562 ( 5.584 -4.645 3.189) 7.932 6.882 ( -5.603 6.132 -5.234) 9.818 7.246 ( 4.061 -4.098 1.502) 5.961 7.578 ( -9.538 1.554 -2.237) 9.919 7.953 ( 5.801 -0.173 -4.586) 7.396 8.033 ( 3.094 2.760 -0.664) 4.198 8.235 ( -0.275 -0.997 6.704) 6.783 8.335 ( 2.511 3.563 3.825) 5.799 9.648 ( 4.954 -5.777 12.835) 14.922 10.183 ( -11.229 7.833 -17.761) 22.426 10.848 ( 5.558 3.620 -6.633) 9.381 10.935 ( 0.629 6.793 2.286) 7.195 12.694 ( 0.127 -6.024 6.871) 9.139 12.760 ( -1.176 -3.416 -0.791) 3.698 ======================= Grid point 449 (136/146) ======================= q-point: (-0.36 -0.36 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.881 ( -0.000 -3.456 4.611) 5.762 1.974 ( 0.000 2.617 -10.913) 11.222 2.300 ( -0.000 -10.087 8.209) 13.005 2.327 ( 0.000 5.517 -2.717) 6.150 2.656 ( -0.000 -5.886 6.417) 8.707 2.785 ( 0.000 4.982 -6.390) 8.103 4.026 ( -0.000 -2.575 3.580) 4.410 4.269 ( 0.000 -4.340 -1.666) 4.649 4.288 ( -0.000 -2.593 4.497) 5.191 4.647 ( -0.000 -1.543 3.020) 3.391 5.058 ( -0.000 1.017 6.733) 6.810 5.182 ( 0.000 9.413 -2.538) 9.749 5.282 ( 0.000 -3.866 -2.393) 4.547 5.526 ( -0.000 -13.476 7.916) 15.630 6.007 ( 0.000 3.856 -6.128) 7.240 6.406 ( 0.000 2.156 -7.743) 8.038 6.471 ( -0.000 -3.832 2.402) 4.523 6.947 ( 0.000 5.340 -6.940) 8.756 7.193 ( 0.000 -2.828 0.677) 2.908 7.665 ( 0.000 0.127 -2.770) 2.773 7.871 ( 0.000 0.592 -2.088) 2.170 7.979 ( 0.000 -0.861 -4.016) 4.107 8.282 ( -0.000 -1.079 2.504) 2.727 8.370 ( -0.000 1.755 10.490) 10.635 9.634 ( -0.000 -4.851 11.419) 12.407 10.263 ( 0.000 9.854 -16.951) 19.607 10.753 ( 0.000 1.783 -11.954) 12.086 10.982 ( -0.000 2.453 -0.460) 2.496 12.695 ( -0.000 -4.648 9.678) 10.736 12.757 ( -0.000 -0.508 2.802) 2.848 ======================= Grid point 534 (137/146) ======================= q-point: ( 0.36 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 146 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.703 ( -0.000 -0.000 23.235) 23.235 1.703 ( -0.000 -0.000 23.235) 23.235 2.281 ( -0.000 -0.000 16.279) 16.279 2.861 ( 0.000 0.000 -11.396) 11.396 2.885 ( 0.000 0.000 -19.290) 19.290 2.885 ( 0.000 0.000 -19.290) 19.290 4.360 ( -0.000 -0.000 8.942) 8.942 4.438 ( -0.000 -0.000 5.446) 5.446 4.438 ( -0.000 -0.000 5.446) 5.446 4.642 ( -0.000 0.000 -0.951) 0.951 4.642 ( 0.000 0.000 -0.951) 0.951 5.258 ( 0.000 0.000 -17.460) 17.460 5.760 ( -0.000 -0.000 9.132) 9.132 5.760 ( 0.000 0.000 9.132) 9.132 6.229 ( 0.000 0.000 -6.194) 6.194 6.229 ( 0.000 0.000 -6.194) 6.194 6.785 ( -0.000 -0.000 0.940) 0.940 6.806 ( 0.000 0.000 -0.395) 0.395 7.318 ( -0.000 -0.000 3.980) 3.980 7.318 ( 0.000 0.000 3.980) 3.980 7.582 ( -0.000 0.000 -5.270) 5.270 7.582 ( 0.000 0.000 -5.270) 5.270 8.253 ( -0.000 -0.000 3.809) 3.809 8.258 ( -0.000 -0.000 3.216) 3.216 9.703 ( -0.000 -0.000 19.694) 19.694 9.703 ( 0.000 -0.000 19.694) 19.694 10.720 ( -0.000 0.000 -15.694) 15.694 10.720 ( 0.000 0.000 -15.694) 15.694 13.029 ( -0.000 -0.000 0.891) 0.891 13.106 ( 0.000 0.000 -1.783) 1.783 ======================= Grid point 535 (138/146) ======================= q-point: ( 0.45 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( -5.399 -3.117 23.881) 24.682 1.826 ( 0.083 0.048 20.744) 20.744 2.457 ( 6.988 4.035 10.833) 13.508 2.614 ( -8.372 -4.833 -17.389) 19.895 2.797 ( -0.976 -0.564 -10.527) 10.587 2.850 ( 3.222 1.860 -20.164) 20.505 4.383 ( -2.582 -1.491 8.506) 9.013 4.440 ( -2.326 -1.343 4.883) 5.573 4.500 ( -0.431 -0.249 4.765) 4.791 4.646 ( 0.899 0.519 -2.130) 2.370 4.646 ( 2.439 1.408 1.796) 3.340 5.164 ( 1.241 0.717 -16.287) 16.350 5.557 ( -11.495 -6.637 9.047) 16.063 5.961 ( -10.097 -5.830 -7.302) 13.757 6.057 ( 10.927 6.309 9.669) 15.896 6.336 ( 1.048 0.605 -7.286) 7.385 6.707 ( -6.475 -3.738 1.695) 7.666 6.766 ( -1.541 -0.890 -0.589) 1.874 7.356 ( 3.135 1.810 4.156) 5.511 7.439 ( 4.520 2.610 3.663) 6.376 7.488 ( -1.035 -0.598 -4.302) 4.465 7.712 ( 9.418 5.437 -3.730) 11.497 8.270 ( -0.180 -0.104 2.686) 2.694 8.286 ( 1.591 0.919 1.116) 2.149 9.687 ( -3.809 -2.199 19.299) 19.794 10.016 ( 9.274 5.355 19.448) 22.201 10.456 ( -8.342 -4.816 -17.845) 20.279 10.793 ( 8.250 4.763 -14.299) 17.182 12.989 ( -3.902 -2.253 1.092) 4.636 13.067 ( -2.519 -1.454 -2.320) 3.720 ======================= Grid point 536 (139/146) ======================= q-point: ( 0.55 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( -4.754 -2.745 21.915) 22.592 1.944 ( 0.048 0.028 15.337) 15.337 2.354 ( -5.987 -3.457 -14.345) 15.924 2.604 ( 1.477 0.852 -0.148) 1.711 2.719 ( -1.157 -0.668 -5.751) 5.904 2.798 ( 3.025 1.746 -14.904) 15.308 4.319 ( -7.557 -4.363 3.076) 9.253 4.402 ( -3.584 -2.069 3.576) 5.469 4.463 ( -3.371 -1.946 1.100) 4.045 4.656 ( 1.491 0.861 -3.014) 3.471 4.768 ( 4.963 2.865 8.806) 10.507 5.113 ( 2.215 1.279 -13.456) 13.697 5.447 ( -4.215 -2.433 8.120) 9.467 5.761 ( -3.732 -2.155 -4.315) 6.099 6.130 ( -9.670 -5.583 -5.524) 12.457 6.371 ( 8.523 4.921 5.565) 11.306 6.570 ( -7.299 -4.214 2.230) 8.718 6.758 ( 0.663 0.383 -1.146) 1.378 7.341 ( -2.998 -1.731 -2.756) 4.425 7.543 ( 3.360 1.940 3.471) 5.206 7.602 ( 8.193 4.730 5.643) 11.016 7.869 ( 5.913 3.414 -0.223) 6.831 8.282 ( 0.350 0.202 0.728) 0.833 8.335 ( 3.558 2.054 -3.849) 5.629 9.776 ( 1.183 0.683 18.354) 18.404 10.164 ( -8.587 -4.958 -18.131) 20.666 10.316 ( 8.353 4.823 17.895) 20.329 10.880 ( 7.029 4.058 -11.094) 13.746 12.897 ( -4.869 -2.811 0.731) 5.670 12.974 ( -4.389 -2.534 -4.027) 6.473 ======================= Grid point 537 (140/146) ======================= q-point: ( 0.64 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.871 ( -0.997 -0.575 17.302) 17.340 1.965 ( -3.320 -1.917 1.819) 4.243 2.251 ( 1.652 0.954 -3.246) 3.765 2.511 ( -5.422 -3.130 -10.148) 11.924 2.701 ( 1.140 0.658 1.208) 1.787 2.774 ( -1.099 -0.635 -6.936) 7.051 4.147 ( -7.759 -4.480 -0.681) 8.985 4.339 ( -3.949 -2.280 2.357) 5.133 4.378 ( -4.031 -2.327 -2.195) 5.146 4.666 ( 0.937 0.541 -2.983) 3.173 4.957 ( 7.722 4.458 9.392) 12.951 5.084 ( 1.664 0.961 -10.379) 10.555 5.383 ( -4.883 -2.819 0.042) 5.639 5.820 ( 7.232 4.176 6.761) 10.745 5.836 ( -12.606 -7.278 -8.552) 16.882 6.440 ( -5.975 -3.450 2.930) 7.495 6.514 ( 1.108 0.640 1.413) 1.906 6.806 ( 4.223 2.438 3.910) 6.251 7.260 ( -2.965 -1.712 -2.253) 4.099 7.622 ( 2.072 1.196 3.370) 4.133 7.788 ( 4.945 2.855 6.410) 8.585 7.953 ( 1.492 0.861 2.881) 3.356 8.294 ( 0.845 0.488 -1.641) 1.909 8.375 ( 3.450 1.992 -8.501) 9.388 9.831 ( -6.062 -3.500 -9.697) 11.960 10.016 ( 4.440 2.563 11.212) 12.329 10.575 ( 6.456 3.728 15.528) 17.225 10.945 ( 3.909 2.257 -6.076) 7.569 12.808 ( -3.332 -1.924 -0.708) 3.912 12.841 ( -4.944 -2.854 -6.678) 8.786 ======================= Grid point 546 (141/146) ======================= q-point: ( 0.45 0.45 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.887 ( -0.000 -6.277 21.363) 22.267 2.028 ( -0.000 2.620 23.465) 23.611 2.451 ( 0.000 -2.058 0.502) 2.118 2.604 ( 0.000 -6.427 -18.581) 19.661 2.607 ( 0.000 2.310 -10.537) 10.787 2.793 ( 0.000 3.949 -11.657) 12.307 4.457 ( -0.000 -1.298 8.811) 8.906 4.475 ( -0.000 -3.382 3.793) 5.082 4.533 ( -0.000 0.236 4.672) 4.678 4.594 ( 0.000 -3.369 -2.444) 4.162 4.663 ( -0.000 3.908 3.305) 5.118 5.051 ( 0.000 0.375 -15.218) 15.223 5.660 ( -0.000 -10.134 7.464) 12.586 5.913 ( 0.000 -9.187 -9.154) 12.969 6.001 ( -0.000 -0.705 10.152) 10.177 6.382 ( 0.000 12.437 -6.895) 14.220 6.724 ( -0.000 -4.669 1.724) 4.977 6.741 ( 0.000 -5.745 -0.651) 5.782 7.311 ( -0.000 -2.912 3.177) 4.309 7.520 ( -0.000 9.548 4.379) 10.504 7.570 ( 0.000 9.656 -5.198) 10.966 7.613 ( 0.000 6.606 -3.868) 7.655 8.278 ( -0.000 -1.552 2.043) 2.566 8.281 ( -0.000 -1.029 2.128) 2.364 9.765 ( -0.000 -9.180 19.144) 21.231 10.167 ( -0.000 13.855 19.413) 23.850 10.394 ( 0.000 -4.379 -18.479) 18.990 10.673 ( 0.000 7.940 -15.923) 17.793 12.991 ( -0.000 -5.345 1.706) 5.611 13.051 ( 0.000 -3.606 -2.159) 4.203 ======================= Grid point 547 (142/146) ======================= q-point: ( 0.55 0.45 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.948 ( -1.007 -5.940 19.887) 20.779 2.120 ( -6.703 1.926 17.959) 19.266 2.311 ( -4.610 -4.007 -14.583) 15.810 2.481 ( 5.016 -6.306 -14.350) 16.457 2.676 ( 4.393 3.466 0.233) 5.600 2.752 ( -1.533 3.231 -7.752) 8.537 4.402 ( -5.447 -5.477 3.331) 8.412 4.436 ( -3.448 -6.315 0.141) 7.196 4.519 ( -2.724 0.673 4.148) 5.008 4.590 ( 3.410 -2.934 -3.070) 5.446 4.782 ( 3.386 4.170 9.929) 11.289 4.993 ( 1.784 0.977 -11.978) 12.149 5.571 ( -3.774 -4.169 8.400) 10.108 5.733 ( -4.506 -4.144 -8.942) 10.837 6.164 ( 12.314 -7.996 8.368) 16.900 6.311 ( -12.792 4.388 -7.575) 15.501 6.673 ( -2.911 -0.839 3.097) 4.333 6.724 ( 1.891 -0.893 -2.530) 3.283 7.377 ( 7.676 -3.807 3.985) 9.449 7.453 ( -8.026 5.257 -4.205) 10.475 7.701 ( 1.371 12.640 5.243) 13.752 7.791 ( 9.107 8.137 -4.175) 12.906 8.274 ( 0.199 -1.837 1.506) 2.384 8.288 ( 1.127 -0.813 -0.171) 1.400 9.819 ( 2.859 -7.505 18.738) 20.386 10.163 ( -9.019 -1.656 -18.794) 20.911 10.432 ( 2.580 12.866 17.367) 21.767 10.726 ( 7.851 6.803 -14.743) 18.035 12.925 ( -2.711 -6.231 2.330) 7.183 12.975 ( -2.631 -5.024 -3.024) 6.427 ======================= Grid point 548 (143/146) ======================= q-point: ( 0.64 0.45 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.992 ( -1.851 -3.606 16.245) 16.743 2.027 ( -6.150 -1.888 -6.060) 8.838 2.244 ( -1.034 1.599 6.334) 6.614 2.401 ( 2.802 -5.380 -15.474) 16.620 2.719 ( -1.047 1.862 0.232) 2.149 2.749 ( 0.915 -0.229 -1.177) 1.508 4.236 ( -9.130 -6.694 1.261) 11.391 4.313 ( -2.057 -9.420 -1.026) 9.697 4.478 ( -6.063 1.392 2.511) 6.708 4.601 ( 3.624 -2.913 -3.586) 5.872 4.931 ( 4.522 2.426 7.128) 8.783 4.972 ( 3.093 0.644 -7.608) 8.238 5.534 ( -8.723 6.175 -1.384) 10.777 5.704 ( 8.780 -2.917 2.897) 9.695 6.034 ( -16.561 2.773 -5.887) 17.793 6.289 ( 8.891 -13.690 4.929) 17.052 6.648 ( -5.699 4.376 0.055) 7.186 6.753 ( 5.232 -0.725 1.500) 5.491 7.338 ( -7.508 3.757 -2.556) 8.776 7.505 ( 8.770 -6.090 3.270) 11.167 7.867 ( 0.986 10.046 6.106) 11.797 7.948 ( 4.849 5.730 -1.835) 7.727 8.270 ( -0.058 -0.354 -1.000) 1.062 8.299 ( 2.452 0.311 -3.846) 4.572 9.874 ( -9.734 0.134 -12.741) 16.034 9.968 ( 7.576 -6.227 13.606) 16.771 10.677 ( 2.155 10.724 14.492) 18.157 10.831 ( 7.857 5.348 -11.268) 14.741 12.835 ( -3.456 -5.153 2.151) 6.567 12.846 ( -4.545 -4.954 -4.801) 8.261 ======================= Grid point 558 (144/146) ======================= q-point: ( 0.55 0.55 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.004 ( -0.000 -6.619 15.290) 16.662 2.206 ( 0.000 -7.721 -19.314) 20.800 2.264 ( 0.000 -1.023 -11.049) 11.097 2.349 ( -0.000 0.532 19.334) 19.342 2.671 ( -0.000 3.287 0.107) 3.289 2.754 ( 0.000 2.092 -4.143) 4.641 4.363 ( 0.000 -10.858 -1.492) 10.960 4.449 ( 0.000 -4.578 -0.835) 4.653 4.473 ( 0.000 -6.038 -0.587) 6.066 4.590 ( -0.000 2.158 4.025) 4.567 4.873 ( -0.000 5.349 12.229) 13.348 4.944 ( 0.000 4.334 -9.489) 10.432 5.522 ( 0.000 -9.831 1.001) 9.882 5.774 ( 0.000 4.299 -7.056) 8.263 5.982 ( -0.000 -12.655 9.669) 15.926 6.481 ( 0.000 6.601 -5.265) 8.444 6.602 ( 0.000 -7.551 -1.579) 7.714 6.739 ( -0.000 3.687 0.615) 3.738 7.288 ( -0.000 -3.159 2.750) 4.188 7.608 ( 0.000 3.589 -3.374) 4.926 7.716 ( 0.000 11.375 -6.467) 13.085 7.829 ( -0.000 10.757 3.718) 11.381 8.268 ( -0.000 -1.423 2.211) 2.629 8.281 ( -0.000 -0.783 2.410) 2.534 9.819 ( -0.000 -9.442 17.427) 19.821 10.137 ( 0.000 1.627 -18.960) 19.030 10.606 ( 0.000 9.105 -2.910) 9.559 10.655 ( -0.000 11.721 2.545) 11.994 12.901 ( -0.000 -7.378 3.871) 8.332 12.927 ( 0.000 -6.378 -2.376) 6.807 ======================= Grid point 668 (145/146) ======================= q-point: ( 0.45 0.45 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 146 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.119 ( -0.000 -0.000 22.584) 22.584 2.119 ( -0.000 -0.000 22.584) 22.584 2.508 ( -0.000 -0.000 9.855) 9.855 2.517 ( 0.000 0.000 -21.309) 21.309 2.517 ( 0.000 0.000 -21.309) 21.309 2.675 ( 0.000 0.000 -9.307) 9.307 4.532 ( -0.000 -0.000 4.791) 4.791 4.532 ( -0.000 -0.000 4.791) 4.791 4.597 ( -0.000 -0.000 16.526) 16.526 4.605 ( 0.000 0.000 -3.140) 3.140 4.605 ( 0.000 0.000 -3.140) 3.140 4.925 ( 0.000 0.000 -18.902) 18.902 5.931 ( -0.000 -0.000 9.517) 9.517 5.931 ( 0.000 0.000 9.517) 9.517 6.095 ( -0.000 -0.000 -8.442) 8.442 6.095 ( 0.000 0.000 -8.442) 8.442 6.796 ( -0.000 -0.000 0.348) 0.348 6.800 ( 0.000 0.000 -0.223) 0.223 7.397 ( -0.000 -0.000 4.696) 4.696 7.397 ( 0.000 -0.000 4.696) 4.696 7.487 ( -0.000 0.000 -5.179) 5.179 7.487 ( 0.000 0.000 -5.179) 5.179 8.300 ( -0.000 -0.000 1.288) 1.288 8.300 ( -0.000 -0.000 1.301) 1.301 10.063 ( -0.000 -0.000 19.810) 19.810 10.063 ( 0.000 -0.000 19.810) 19.810 10.411 ( 0.000 0.000 -18.317) 18.317 10.411 ( 0.000 0.000 -18.317) 18.317 13.048 ( -0.000 -0.000 1.279) 1.279 13.075 ( 0.000 0.000 -1.616) 1.616 ======================= Grid point 669 (146/146) ======================= q-point: ( 0.55 0.45 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.186 ( -4.103 -2.369 16.208) 16.886 2.216 ( -5.569 -3.215 22.654) 23.549 2.274 ( -5.274 -3.045 -17.064) 18.118 2.442 ( 2.195 1.267 -20.631) 20.786 2.636 ( 5.379 3.106 6.200) 8.776 2.647 ( 1.555 0.898 -6.591) 6.831 4.506 ( -5.328 -3.076 2.790) 6.755 4.518 ( -3.270 -1.888 3.006) 4.827 4.546 ( -2.363 -1.364 1.232) 2.994 4.587 ( 0.625 0.361 -4.167) 4.229 4.779 ( 5.308 3.065 13.203) 14.557 4.863 ( 3.950 2.280 -16.026) 16.662 5.724 ( -11.939 -6.893 8.142) 16.011 5.823 ( -8.339 -4.814 -6.678) 11.718 6.174 ( 0.100 0.058 -7.276) 7.277 6.239 ( 11.084 6.400 7.094) 14.634 6.728 ( -5.600 -3.233 0.827) 6.519 6.750 ( -2.535 -1.464 -1.132) 3.138 7.372 ( -3.423 -1.976 -3.007) 4.966 7.480 ( 7.518 4.340 4.078) 9.591 7.511 ( 3.882 2.241 4.033) 6.030 7.632 ( 10.980 6.340 -4.611) 13.491 8.297 ( -0.798 -0.461 0.168) 0.937 8.299 ( -0.424 -0.245 0.026) 0.491 10.043 ( -4.576 -2.642 18.941) 19.664 10.119 ( -8.294 -4.789 -18.528) 20.857 10.360 ( 8.190 4.728 18.264) 20.567 10.504 ( 10.701 6.178 -17.373) 21.319 13.015 ( -3.719 -2.147 1.771) 4.645 13.026 ( -3.564 -2.058 -2.136) 4.637 =================== 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 3/39930 10.0 897.022 897.022 949.745 0.000 -0.000 -0.000 3/39930 20.0 270.771 270.771 293.726 0.000 -0.000 -0.000 3/39930 30.0 121.816 121.816 130.363 0.000 -0.000 -0.000 3/39930 40.0 63.661 63.661 68.079 0.000 -0.000 -0.000 3/39930 50.0 37.667 37.667 40.490 0.000 -0.000 -0.000 3/39930 60.0 24.891 24.891 26.916 0.000 -0.000 -0.000 3/39930 70.0 17.922 17.922 19.479 0.000 -0.000 -0.000 3/39930 80.0 13.755 13.755 15.011 0.000 -0.000 -0.000 3/39930 90.0 11.066 11.066 12.118 0.000 -0.000 -0.000 3/39930 100.0 9.224 9.224 10.129 0.000 -0.000 -0.000 3/39930 110.0 7.898 7.898 8.695 0.000 -0.000 -0.000 3/39930 120.0 6.904 6.904 7.619 0.000 -0.000 -0.000 3/39930 130.0 6.135 6.135 6.785 0.000 -0.000 -0.000 3/39930 140.0 5.523 5.523 6.121 0.000 -0.000 -0.000 3/39930 150.0 5.026 5.026 5.580 0.000 -0.000 -0.000 3/39930 160.0 4.614 4.614 5.131 0.000 -0.000 -0.000 3/39930 170.0 4.267 4.267 4.752 0.000 -0.000 -0.000 3/39930 180.0 3.970 3.970 4.428 0.000 -0.000 -0.000 3/39930 190.0 3.714 3.714 4.148 0.000 -0.000 -0.000 3/39930 200.0 3.490 3.490 3.902 0.000 -0.000 -0.000 3/39930 210.0 3.293 3.293 3.686 0.000 -0.000 -0.000 3/39930 220.0 3.118 3.118 3.493 0.000 -0.000 -0.000 3/39930 230.0 2.961 2.961 3.321 0.000 -0.000 -0.000 3/39930 240.0 2.820 2.820 3.165 0.000 -0.000 -0.000 3/39930 250.0 2.693 2.693 3.024 0.000 -0.000 -0.000 3/39930 260.0 2.576 2.576 2.896 0.000 -0.000 -0.000 3/39930 270.0 2.470 2.470 2.778 0.000 -0.000 -0.000 3/39930 280.0 2.373 2.373 2.670 0.000 -0.000 -0.000 3/39930 290.0 2.283 2.283 2.570 0.000 -0.000 -0.000 3/39930 300.0 2.200 2.200 2.478 0.000 -0.000 -0.000 3/39930 310.0 2.123 2.123 2.392 0.000 -0.000 -0.000 3/39930 320.0 2.051 2.051 2.312 0.000 -0.000 -0.000 3/39930 330.0 1.984 1.984 2.238 0.000 -0.000 -0.000 3/39930 340.0 1.922 1.922 2.168 0.000 -0.000 -0.000 3/39930 350.0 1.863 1.863 2.103 0.000 -0.000 -0.000 3/39930 360.0 1.808 1.808 2.041 0.000 -0.000 -0.000 3/39930 370.0 1.756 1.756 1.983 0.000 -0.000 -0.000 3/39930 380.0 1.707 1.707 1.929 0.000 -0.000 -0.000 3/39930 390.0 1.661 1.661 1.877 0.000 -0.000 -0.000 3/39930 400.0 1.618 1.618 1.828 0.000 -0.000 -0.000 3/39930 410.0 1.576 1.576 1.782 0.000 -0.000 -0.000 3/39930 420.0 1.537 1.537 1.738 0.000 -0.000 -0.000 3/39930 430.0 1.500 1.500 1.696 0.000 -0.000 -0.000 3/39930 440.0 1.464 1.464 1.656 0.000 -0.000 -0.000 3/39930 450.0 1.430 1.430 1.618 0.000 -0.000 -0.000 3/39930 460.0 1.398 1.398 1.582 0.000 -0.000 -0.000 3/39930 470.0 1.367 1.367 1.547 0.000 -0.000 -0.000 3/39930 480.0 1.338 1.338 1.514 0.000 -0.000 -0.000 3/39930 490.0 1.310 1.310 1.482 0.000 -0.000 -0.000 3/39930 500.0 1.282 1.282 1.452 0.000 -0.000 -0.000 3/39930 510.0 1.257 1.257 1.423 0.000 -0.000 -0.000 3/39930 520.0 1.232 1.232 1.395 0.000 -0.000 -0.000 3/39930 530.0 1.208 1.208 1.368 0.000 -0.000 -0.000 3/39930 540.0 1.185 1.185 1.342 0.000 -0.000 -0.000 3/39930 550.0 1.163 1.163 1.317 0.000 -0.000 -0.000 3/39930 560.0 1.141 1.141 1.293 0.000 -0.000 -0.000 3/39930 570.0 1.121 1.121 1.270 0.000 -0.000 -0.000 3/39930 580.0 1.101 1.101 1.248 0.000 -0.000 -0.000 3/39930 590.0 1.082 1.082 1.226 0.000 -0.000 -0.000 3/39930 600.0 1.064 1.064 1.205 0.000 -0.000 -0.000 3/39930 610.0 1.046 1.046 1.185 0.000 -0.000 -0.000 3/39930 620.0 1.029 1.029 1.166 0.000 -0.000 -0.000 3/39930 630.0 1.012 1.012 1.147 0.000 -0.000 -0.000 3/39930 640.0 0.996 0.996 1.129 0.000 -0.000 -0.000 3/39930 650.0 0.980 0.980 1.111 0.000 -0.000 -0.000 3/39930 660.0 0.965 0.965 1.094 0.000 -0.000 -0.000 3/39930 670.0 0.950 0.950 1.078 0.000 -0.000 -0.000 3/39930 680.0 0.936 0.936 1.061 0.000 -0.000 -0.000 3/39930 690.0 0.922 0.922 1.046 0.000 -0.000 -0.000 3/39930 700.0 0.909 0.909 1.031 0.000 -0.000 -0.000 3/39930 710.0 0.896 0.896 1.016 0.000 -0.000 -0.000 3/39930 720.0 0.883 0.883 1.002 0.000 -0.000 -0.000 3/39930 730.0 0.871 0.871 0.988 0.000 -0.000 -0.000 3/39930 740.0 0.859 0.859 0.974 0.000 -0.000 -0.000 3/39930 750.0 0.848 0.848 0.961 0.000 -0.000 -0.000 3/39930 760.0 0.836 0.836 0.948 0.000 -0.000 -0.000 3/39930 770.0 0.825 0.825 0.936 0.000 -0.000 -0.000 3/39930 780.0 0.814 0.814 0.924 0.000 -0.000 -0.000 3/39930 790.0 0.804 0.804 0.912 0.000 -0.000 -0.000 3/39930 800.0 0.794 0.794 0.901 0.000 -0.000 -0.000 3/39930 810.0 0.784 0.784 0.889 0.000 -0.000 -0.000 3/39930 820.0 0.774 0.774 0.878 0.000 -0.000 -0.000 3/39930 830.0 0.765 0.765 0.868 0.000 -0.000 -0.000 3/39930 840.0 0.756 0.756 0.857 0.000 -0.000 -0.000 3/39930 850.0 0.747 0.747 0.847 0.000 -0.000 -0.000 3/39930 860.0 0.738 0.738 0.837 0.000 -0.000 -0.000 3/39930 870.0 0.729 0.729 0.828 0.000 -0.000 -0.000 3/39930 880.0 0.721 0.721 0.818 0.000 -0.000 -0.000 3/39930 890.0 0.713 0.713 0.809 0.000 -0.000 -0.000 3/39930 900.0 0.705 0.705 0.800 0.000 -0.000 -0.000 3/39930 910.0 0.697 0.697 0.791 0.000 -0.000 -0.000 3/39930 920.0 0.689 0.689 0.782 0.000 -0.000 -0.000 3/39930 930.0 0.682 0.682 0.774 0.000 -0.000 -0.000 3/39930 940.0 0.675 0.675 0.765 0.000 -0.000 -0.000 3/39930 950.0 0.667 0.667 0.757 0.000 -0.000 -0.000 3/39930 960.0 0.660 0.660 0.749 0.000 -0.000 -0.000 3/39930 970.0 0.653 0.653 0.742 0.000 -0.000 -0.000 3/39930 980.0 0.647 0.647 0.734 0.000 -0.000 -0.000 3/39930 990.0 0.640 0.640 0.727 0.000 -0.000 -0.000 3/39930 1000.0 0.634 0.634 0.719 0.000 -0.000 -0.000 3/39930 Thermal conductivity related properties were written into "kappa-m111111.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:09:16]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|