----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 20:14:04]------------------------- 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: R-3 (148) Number of symmetry operations in supercell: 72 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.667372355621183 1.540008147546853 5.341015493333328 b -2.667372355621177 1.540008147546853 5.341015493333328 c -0.000000000000000 -3.080016295093706 5.341015493333328 Atomic positions (fractional): *1 O 0.04019712932358 0.43970376991340 0.80770510450280 15.999 2 O 0.80770510450280 0.04019712932358 0.43970376991340 15.999 3 O 0.43970376991340 0.80770510450280 0.04019712932358 15.999 4 O 0.95980287067642 0.56029623008660 0.19229489549720 15.999 5 O 0.56029623008660 0.19229489549720 0.95980287067642 15.999 6 O 0.19229489549720 0.95980287067642 0.56029623008660 15.999 *7 Na 0.36135012776465 0.36135012776465 0.36135012776465 22.990 8 Na 0.63864987223535 0.63864987223535 0.63864987223535 22.990 *9 Sb 0.16093217438321 0.16093217438321 0.16093217438321 121.760 10 Sb 0.83906782561679 0.83906782561679 0.83906782561679 121.760 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.334744711242361 0.000000000000000 0.000000000000000 b -2.667372355621180 4.620024442640564 0.000000000000000 c 0.000000000000000 0.000000000000000 16.023046480000001 Atomic positions (fractional): *1 O 0.94432846141032 0.28816356341046 0.09586866791326 15.999 > 1 2 O 0.71183643658954 0.65616489799986 0.09586866791326 15.999 > 2 3 O 0.34383510200014 0.05567153858968 0.09586866791326 15.999 > 3 4 O 0.72233820525634 0.04516976992287 0.23746466542007 15.999 > 4 5 O 0.32283156466653 0.27766179474365 0.23746466542007 15.999 > 5 6 O 0.95483023007713 0.67716843533347 0.23746466542007 15.999 > 6 7 O 0.61099512807699 0.62149689674379 0.42920200124659 15.999 > 1 8 O 0.37850310325621 0.98949823133320 0.42920200124659 15.999 > 2 9 O 0.01050176866680 0.38900487192301 0.42920200124659 15.999 > 3 10 O 0.38900487192301 0.37850310325621 0.57079799875341 15.999 > 4 11 O 0.98949823133319 0.61099512807699 0.57079799875341 15.999 > 5 12 O 0.62149689674379 0.01050176866680 0.57079799875341 15.999 > 6 13 O 0.27766179474365 0.95483023007713 0.76253533457993 15.999 > 1 14 O 0.04516976992287 0.32283156466653 0.76253533457993 15.999 > 2 15 O 0.67716843533347 0.72233820525634 0.76253533457993 15.999 > 3 16 O 0.05567153858968 0.71183643658954 0.90413133208674 15.999 > 4 17 O 0.65616489799986 0.94432846141032 0.90413133208674 15.999 > 5 18 O 0.28816356341046 0.34383510200014 0.90413133208674 15.999 > 6 *19 Na 0.33333333333333 0.66666666666667 0.02801679443132 22.990 > 7 20 Na 0.33333333333333 0.66666666666667 0.30531653890202 22.990 > 8 21 Na 0.00000000000000 0.00000000000000 0.36135012776465 22.990 > 7 22 Na 0.00000000000000 0.00000000000000 0.63864987223535 22.990 > 8 23 Na 0.66666666666667 0.33333333333333 0.69468346109798 22.990 > 7 24 Na 0.66666666666667 0.33333333333333 0.97198320556868 22.990 > 8 *25 Sb 0.00000000000000 0.00000000000000 0.16093217438321 121.760 > 9 26 Sb 0.66666666666667 0.33333333333333 0.17240115895013 121.760 > 10 27 Sb 0.66666666666667 0.33333333333333 0.49426550771654 121.760 > 9 28 Sb 0.33333333333333 0.66666666666667 0.50573449228346 121.760 > 10 29 Sb 0.33333333333333 0.66666666666667 0.82759884104987 121.760 > 9 30 Sb 0.00000000000000 0.00000000000000 0.83906782561679 121.760 > 10 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.669489422484721 0.000000000000000 0.000000000000000 b -5.334744711242360 9.240048885281128 0.000000000000000 c 0.000000000000000 0.000000000000000 16.023046480000001 Atomic positions (fractional): *1 O 0.47216423070516 0.14408178170523 0.09586866791326 15.999 > 1 2 O 0.97216423070516 0.14408178170523 0.09586866791326 15.999 > 1 3 O 0.47216423070516 0.64408178170523 0.09586866791326 15.999 > 1 4 O 0.97216423070516 0.64408178170523 0.09586866791326 15.999 > 1 5 O 0.35591821829477 0.32808244899993 0.09586866791326 15.999 > 2 6 O 0.85591821829477 0.32808244899993 0.09586866791326 15.999 > 2 7 O 0.35591821829477 0.82808244899993 0.09586866791326 15.999 > 2 8 O 0.85591821829477 0.82808244899993 0.09586866791326 15.999 > 2 9 O 0.17191755100007 0.02783576929484 0.09586866791326 15.999 > 3 10 O 0.67191755100007 0.02783576929484 0.09586866791326 15.999 > 3 11 O 0.17191755100007 0.52783576929484 0.09586866791326 15.999 > 3 12 O 0.67191755100007 0.52783576929484 0.09586866791326 15.999 > 3 13 O 0.36116910262817 0.02258488496144 0.23746466542007 15.999 > 4 14 O 0.86116910262817 0.02258488496144 0.23746466542007 15.999 > 4 15 O 0.36116910262817 0.52258488496144 0.23746466542007 15.999 > 4 16 O 0.86116910262817 0.52258488496144 0.23746466542007 15.999 > 4 17 O 0.16141578233326 0.13883089737183 0.23746466542007 15.999 > 5 18 O 0.66141578233326 0.13883089737183 0.23746466542007 15.999 > 5 19 O 0.16141578233326 0.63883089737183 0.23746466542007 15.999 > 5 20 O 0.66141578233326 0.63883089737183 0.23746466542007 15.999 > 5 21 O 0.47741511503856 0.33858421766674 0.23746466542007 15.999 > 6 22 O 0.97741511503856 0.33858421766674 0.23746466542007 15.999 > 6 23 O 0.47741511503856 0.83858421766674 0.23746466542007 15.999 > 6 24 O 0.97741511503856 0.83858421766674 0.23746466542007 15.999 > 6 25 O 0.30549756403849 0.31074844837190 0.42920200124659 15.999 > 1 26 O 0.80549756403849 0.31074844837190 0.42920200124659 15.999 > 1 27 O 0.30549756403849 0.81074844837190 0.42920200124659 15.999 > 1 28 O 0.80549756403849 0.81074844837190 0.42920200124659 15.999 > 1 29 O 0.18925155162810 0.49474911566660 0.42920200124659 15.999 > 2 30 O 0.68925155162810 0.49474911566660 0.42920200124659 15.999 > 2 31 O 0.18925155162810 0.99474911566660 0.42920200124659 15.999 > 2 32 O 0.68925155162810 0.99474911566660 0.42920200124659 15.999 > 2 33 O 0.00525088433340 0.19450243596151 0.42920200124659 15.999 > 3 34 O 0.50525088433340 0.19450243596151 0.42920200124659 15.999 > 3 35 O 0.00525088433340 0.69450243596151 0.42920200124659 15.999 > 3 36 O 0.50525088433340 0.69450243596151 0.42920200124659 15.999 > 3 37 O 0.19450243596151 0.18925155162810 0.57079799875341 15.999 > 4 38 O 0.69450243596151 0.18925155162810 0.57079799875341 15.999 > 4 39 O 0.19450243596151 0.68925155162810 0.57079799875341 15.999 > 4 40 O 0.69450243596151 0.68925155162810 0.57079799875341 15.999 > 4 41 O 0.49474911566660 0.30549756403849 0.57079799875341 15.999 > 5 42 O 0.99474911566660 0.30549756403849 0.57079799875341 15.999 > 5 43 O 0.49474911566660 0.80549756403849 0.57079799875341 15.999 > 5 44 O 0.99474911566660 0.80549756403849 0.57079799875341 15.999 > 5 45 O 0.31074844837190 0.00525088433340 0.57079799875341 15.999 > 6 46 O 0.81074844837190 0.00525088433340 0.57079799875341 15.999 > 6 47 O 0.31074844837190 0.50525088433340 0.57079799875341 15.999 > 6 48 O 0.81074844837190 0.50525088433340 0.57079799875341 15.999 > 6 49 O 0.13883089737183 0.47741511503856 0.76253533457993 15.999 > 1 50 O 0.63883089737183 0.47741511503856 0.76253533457993 15.999 > 1 51 O 0.13883089737183 0.97741511503856 0.76253533457993 15.999 > 1 52 O 0.63883089737183 0.97741511503856 0.76253533457993 15.999 > 1 53 O 0.02258488496144 0.16141578233326 0.76253533457993 15.999 > 2 54 O 0.52258488496144 0.16141578233326 0.76253533457993 15.999 > 2 55 O 0.02258488496144 0.66141578233326 0.76253533457993 15.999 > 2 56 O 0.52258488496144 0.66141578233326 0.76253533457993 15.999 > 2 57 O 0.33858421766674 0.36116910262817 0.76253533457993 15.999 > 3 58 O 0.83858421766674 0.36116910262817 0.76253533457993 15.999 > 3 59 O 0.33858421766674 0.86116910262817 0.76253533457993 15.999 > 3 60 O 0.83858421766674 0.86116910262817 0.76253533457993 15.999 > 3 61 O 0.02783576929484 0.35591821829477 0.90413133208674 15.999 > 4 62 O 0.52783576929484 0.35591821829477 0.90413133208674 15.999 > 4 63 O 0.02783576929484 0.85591821829477 0.90413133208674 15.999 > 4 64 O 0.52783576929484 0.85591821829477 0.90413133208674 15.999 > 4 65 O 0.32808244899993 0.47216423070516 0.90413133208674 15.999 > 5 66 O 0.82808244899993 0.47216423070516 0.90413133208674 15.999 > 5 67 O 0.32808244899993 0.97216423070516 0.90413133208674 15.999 > 5 68 O 0.82808244899993 0.97216423070516 0.90413133208674 15.999 > 5 69 O 0.14408178170523 0.17191755100007 0.90413133208674 15.999 > 6 70 O 0.64408178170523 0.17191755100007 0.90413133208674 15.999 > 6 71 O 0.14408178170523 0.67191755100007 0.90413133208674 15.999 > 6 72 O 0.64408178170523 0.67191755100007 0.90413133208674 15.999 > 6 *73 Na 0.16666666666667 0.33333333333333 0.02801679443132 22.990 > 7 74 Na 0.66666666666667 0.33333333333333 0.02801679443132 22.990 > 7 75 Na 0.16666666666667 0.83333333333333 0.02801679443132 22.990 > 7 76 Na 0.66666666666667 0.83333333333333 0.02801679443132 22.990 > 7 77 Na 0.16666666666667 0.33333333333333 0.30531653890202 22.990 > 8 78 Na 0.66666666666667 0.33333333333333 0.30531653890202 22.990 > 8 79 Na 0.16666666666667 0.83333333333333 0.30531653890202 22.990 > 8 80 Na 0.66666666666667 0.83333333333333 0.30531653890202 22.990 > 8 81 Na 0.00000000000000 0.00000000000000 0.36135012776465 22.990 > 7 82 Na 0.50000000000000 0.00000000000000 0.36135012776465 22.990 > 7 83 Na 0.00000000000000 0.50000000000000 0.36135012776465 22.990 > 7 84 Na 0.50000000000000 0.50000000000000 0.36135012776465 22.990 > 7 85 Na 0.00000000000000 0.00000000000000 0.63864987223535 22.990 > 8 86 Na 0.50000000000000 0.00000000000000 0.63864987223535 22.990 > 8 87 Na 0.00000000000000 0.50000000000000 0.63864987223535 22.990 > 8 88 Na 0.50000000000000 0.50000000000000 0.63864987223535 22.990 > 8 89 Na 0.33333333333333 0.16666666666667 0.69468346109798 22.990 > 7 90 Na 0.83333333333333 0.16666666666667 0.69468346109798 22.990 > 7 91 Na 0.33333333333333 0.66666666666667 0.69468346109798 22.990 > 7 92 Na 0.83333333333333 0.66666666666667 0.69468346109798 22.990 > 7 93 Na 0.33333333333333 0.16666666666667 0.97198320556868 22.990 > 8 94 Na 0.83333333333333 0.16666666666667 0.97198320556868 22.990 > 8 95 Na 0.33333333333333 0.66666666666667 0.97198320556868 22.990 > 8 96 Na 0.83333333333333 0.66666666666667 0.97198320556868 22.990 > 8 *97 Sb 0.00000000000000 0.00000000000000 0.16093217438321 121.760 > 9 98 Sb 0.50000000000000 0.00000000000000 0.16093217438321 121.760 > 9 99 Sb 0.00000000000000 0.50000000000000 0.16093217438321 121.760 > 9 100 Sb 0.50000000000000 0.50000000000000 0.16093217438321 121.760 > 9 101 Sb 0.33333333333333 0.16666666666667 0.17240115895013 121.760 > 10 102 Sb 0.83333333333333 0.16666666666667 0.17240115895013 121.760 > 10 103 Sb 0.33333333333333 0.66666666666667 0.17240115895013 121.760 > 10 104 Sb 0.83333333333333 0.66666666666667 0.17240115895013 121.760 > 10 105 Sb 0.33333333333333 0.16666666666667 0.49426550771654 121.760 > 9 106 Sb 0.83333333333333 0.16666666666667 0.49426550771654 121.760 > 9 107 Sb 0.33333333333333 0.66666666666667 0.49426550771654 121.760 > 9 108 Sb 0.83333333333333 0.66666666666667 0.49426550771654 121.760 > 9 109 Sb 0.16666666666667 0.33333333333333 0.50573449228346 121.760 > 10 110 Sb 0.66666666666667 0.33333333333333 0.50573449228346 121.760 > 10 111 Sb 0.16666666666667 0.83333333333333 0.50573449228346 121.760 > 10 112 Sb 0.66666666666667 0.83333333333333 0.50573449228346 121.760 > 10 113 Sb 0.16666666666667 0.33333333333333 0.82759884104987 121.760 > 9 114 Sb 0.66666666666667 0.33333333333333 0.82759884104987 121.760 > 9 115 Sb 0.16666666666667 0.83333333333333 0.82759884104987 121.760 > 9 116 Sb 0.66666666666667 0.83333333333333 0.82759884104987 121.760 > 9 117 Sb 0.00000000000000 0.00000000000000 0.83906782561679 121.760 > 10 118 Sb 0.50000000000000 0.00000000000000 0.83906782561679 121.760 > 10 119 Sb 0.00000000000000 0.50000000000000 0.83906782561679 121.760 > 10 120 Sb 0.50000000000000 0.50000000000000 0.83906782561679 121.760 > 10 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.5731052 -0.0000010 0.0000000 0.0000010 3.5731052 0.0000000 0.0000000 0.0000000 2.7680000 -------------------------- Born effective charges -------------------------- 1 O -2.2664685 0.4646898 0.0776518 0.4912230 -1.6678014 0.1003732 0.0694247 0.1991252 -1.3086591 2 O -1.4035458 0.0069857 -0.1257516 0.0335189 -2.5307241 0.0170618 -0.2071599 -0.0394391 -1.3086591 3 O -2.2313905 -0.5114753 0.0480998 -0.4849421 -1.7028793 -0.1174350 0.1377352 -0.1596862 -1.3086591 4 O -2.2664685 0.4646898 0.0776518 0.4912230 -1.6678014 0.1003732 0.0694247 0.1991252 -1.3086591 5 O -2.2313905 -0.5114753 0.0480998 -0.4849421 -1.7028793 -0.1174350 0.1377352 -0.1596862 -1.3086591 6 O -1.4035458 0.0069857 -0.1257516 0.0335189 -2.5307241 0.0170618 -0.2071599 -0.0394391 -1.3086591 7 Na 1.0561374 0.0275951 0.0000000 -0.0275951 1.0561374 0.0000000 0.0000000 0.0000000 1.3637626 8 Na 1.0561374 0.0275951 0.0000000 -0.0275951 1.0561374 0.0000000 0.0000000 0.0000000 1.3637626 9 Sb 4.8452674 0.0122047 0.0000000 -0.0122047 4.8452674 0.0000000 0.0000000 0.0000000 2.5622147 10 Sb 4.8452674 0.0122047 0.0000000 -0.0122047 4.8452674 0.0000000 0.0000000 0.0000000 2.5622147 ---------------------------------------------------------------------------- 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: 940 Number of blocks in projector: 464 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: 432 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 124 Use standard eigh solver. Tree of FC basis block matrices: - (940, 926), data: False |-- (124, 121), data: True |-- (384, 380), data: True |-- (432, 425), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.013 Solver_block: 100 / 240 - Time: 1.077 Solver_block: 200 / 240 - Time: 1.069 Solver_block: 240 / 240 - Time: 0.479 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.652 --------------------------------- 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: 940 Number of blocks in projector: 464 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: 432 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 124 Use standard eigh solver. Tree of FC basis block matrices: - (940, 926), data: False |-- (124, 121), data: True |-- (384, 380), data: True |-- (432, 425), 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 20:14:18]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:14:18]------------------------- 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: R-3 (148) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.667372355621183 1.540008147546853 5.341015493333328 b -2.667372355621177 1.540008147546853 5.341015493333328 c -0.000000000000000 -3.080016295093706 5.341015493333328 Atomic positions (fractional): 1 O 0.04019712932358 0.43970376991340 0.80770510450280 15.999 2 O 0.80770510450280 0.04019712932358 0.43970376991340 15.999 3 O 0.43970376991340 0.80770510450280 0.04019712932358 15.999 4 O 0.95980287067642 0.56029623008660 0.19229489549720 15.999 5 O 0.56029623008660 0.19229489549720 0.95980287067642 15.999 6 O 0.19229489549720 0.95980287067642 0.56029623008660 15.999 7 Na 0.36135012776465 0.36135012776465 0.36135012776465 22.990 8 Na 0.63864987223535 0.63864987223535 0.63864987223535 22.990 9 Sb 0.16093217438321 0.16093217438321 0.16093217438321 121.760 10 Sb 0.83906782561679 0.83906782561679 0.83906782561679 121.760 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.669489422484721 0.000000000000000 0.000000000000000 b -5.334744711242360 9.240048885281128 0.000000000000000 c 0.000000000000000 0.000000000000000 16.023046480000001 Atomic positions (fractional): 1 O 0.47216423070516 0.14408178170523 0.09586866791326 15.999 > 1 2 O 0.97216423070516 0.14408178170523 0.09586866791326 15.999 > 1 3 O 0.47216423070516 0.64408178170523 0.09586866791326 15.999 > 1 4 O 0.97216423070516 0.64408178170523 0.09586866791326 15.999 > 1 5 O 0.35591821829477 0.32808244899993 0.09586866791326 15.999 > 5 6 O 0.85591821829477 0.32808244899993 0.09586866791326 15.999 > 5 7 O 0.35591821829477 0.82808244899993 0.09586866791326 15.999 > 5 8 O 0.85591821829477 0.82808244899993 0.09586866791326 15.999 > 5 9 O 0.17191755100007 0.02783576929484 0.09586866791326 15.999 > 9 10 O 0.67191755100007 0.02783576929484 0.09586866791326 15.999 > 9 11 O 0.17191755100007 0.52783576929484 0.09586866791326 15.999 > 9 12 O 0.67191755100007 0.52783576929484 0.09586866791326 15.999 > 9 13 O 0.36116910262817 0.02258488496144 0.23746466542007 15.999 > 13 14 O 0.86116910262817 0.02258488496144 0.23746466542007 15.999 > 13 15 O 0.36116910262817 0.52258488496144 0.23746466542007 15.999 > 13 16 O 0.86116910262817 0.52258488496144 0.23746466542007 15.999 > 13 17 O 0.16141578233326 0.13883089737183 0.23746466542007 15.999 > 17 18 O 0.66141578233326 0.13883089737183 0.23746466542007 15.999 > 17 19 O 0.16141578233326 0.63883089737183 0.23746466542007 15.999 > 17 20 O 0.66141578233326 0.63883089737183 0.23746466542007 15.999 > 17 21 O 0.47741511503856 0.33858421766674 0.23746466542007 15.999 > 21 22 O 0.97741511503856 0.33858421766674 0.23746466542007 15.999 > 21 23 O 0.47741511503856 0.83858421766674 0.23746466542007 15.999 > 21 24 O 0.97741511503856 0.83858421766674 0.23746466542007 15.999 > 21 25 O 0.30549756403849 0.31074844837190 0.42920200124659 15.999 > 1 26 O 0.80549756403849 0.31074844837190 0.42920200124659 15.999 > 1 27 O 0.30549756403849 0.81074844837190 0.42920200124659 15.999 > 1 28 O 0.80549756403849 0.81074844837190 0.42920200124659 15.999 > 1 29 O 0.18925155162810 0.49474911566660 0.42920200124659 15.999 > 5 30 O 0.68925155162810 0.49474911566660 0.42920200124659 15.999 > 5 31 O 0.18925155162810 0.99474911566660 0.42920200124659 15.999 > 5 32 O 0.68925155162810 0.99474911566660 0.42920200124659 15.999 > 5 33 O 0.00525088433340 0.19450243596151 0.42920200124659 15.999 > 9 34 O 0.50525088433340 0.19450243596151 0.42920200124659 15.999 > 9 35 O 0.00525088433340 0.69450243596151 0.42920200124659 15.999 > 9 36 O 0.50525088433340 0.69450243596151 0.42920200124659 15.999 > 9 37 O 0.19450243596151 0.18925155162810 0.57079799875341 15.999 > 13 38 O 0.69450243596151 0.18925155162810 0.57079799875341 15.999 > 13 39 O 0.19450243596151 0.68925155162810 0.57079799875341 15.999 > 13 40 O 0.69450243596151 0.68925155162810 0.57079799875341 15.999 > 13 41 O 0.49474911566660 0.30549756403849 0.57079799875341 15.999 > 17 42 O 0.99474911566660 0.30549756403849 0.57079799875341 15.999 > 17 43 O 0.49474911566660 0.80549756403849 0.57079799875341 15.999 > 17 44 O 0.99474911566660 0.80549756403849 0.57079799875341 15.999 > 17 45 O 0.31074844837190 0.00525088433340 0.57079799875341 15.999 > 21 46 O 0.81074844837190 0.00525088433340 0.57079799875341 15.999 > 21 47 O 0.31074844837190 0.50525088433340 0.57079799875341 15.999 > 21 48 O 0.81074844837190 0.50525088433340 0.57079799875341 15.999 > 21 49 O 0.13883089737183 0.47741511503856 0.76253533457993 15.999 > 1 50 O 0.63883089737183 0.47741511503856 0.76253533457993 15.999 > 1 51 O 0.13883089737183 0.97741511503856 0.76253533457993 15.999 > 1 52 O 0.63883089737183 0.97741511503856 0.76253533457993 15.999 > 1 53 O 0.02258488496144 0.16141578233326 0.76253533457993 15.999 > 5 54 O 0.52258488496144 0.16141578233326 0.76253533457993 15.999 > 5 55 O 0.02258488496144 0.66141578233326 0.76253533457993 15.999 > 5 56 O 0.52258488496144 0.66141578233326 0.76253533457993 15.999 > 5 57 O 0.33858421766674 0.36116910262817 0.76253533457993 15.999 > 9 58 O 0.83858421766674 0.36116910262817 0.76253533457993 15.999 > 9 59 O 0.33858421766674 0.86116910262817 0.76253533457993 15.999 > 9 60 O 0.83858421766674 0.86116910262817 0.76253533457993 15.999 > 9 61 O 0.02783576929484 0.35591821829477 0.90413133208674 15.999 > 13 62 O 0.52783576929484 0.35591821829477 0.90413133208674 15.999 > 13 63 O 0.02783576929484 0.85591821829477 0.90413133208674 15.999 > 13 64 O 0.52783576929484 0.85591821829477 0.90413133208674 15.999 > 13 65 O 0.32808244899993 0.47216423070516 0.90413133208674 15.999 > 17 66 O 0.82808244899993 0.47216423070516 0.90413133208674 15.999 > 17 67 O 0.32808244899993 0.97216423070516 0.90413133208674 15.999 > 17 68 O 0.82808244899993 0.97216423070516 0.90413133208674 15.999 > 17 69 O 0.14408178170523 0.17191755100007 0.90413133208674 15.999 > 21 70 O 0.64408178170523 0.17191755100007 0.90413133208674 15.999 > 21 71 O 0.14408178170523 0.67191755100007 0.90413133208674 15.999 > 21 72 O 0.64408178170523 0.67191755100007 0.90413133208674 15.999 > 21 73 Na 0.16666666666667 0.33333333333333 0.02801679443132 22.990 > 73 74 Na 0.66666666666667 0.33333333333333 0.02801679443132 22.990 > 73 75 Na 0.16666666666667 0.83333333333333 0.02801679443132 22.990 > 73 76 Na 0.66666666666667 0.83333333333333 0.02801679443132 22.990 > 73 77 Na 0.16666666666667 0.33333333333333 0.30531653890202 22.990 > 77 78 Na 0.66666666666667 0.33333333333333 0.30531653890202 22.990 > 77 79 Na 0.16666666666667 0.83333333333333 0.30531653890202 22.990 > 77 80 Na 0.66666666666667 0.83333333333333 0.30531653890202 22.990 > 77 81 Na 0.00000000000000 0.00000000000000 0.36135012776465 22.990 > 73 82 Na 0.50000000000000 0.00000000000000 0.36135012776465 22.990 > 73 83 Na 0.00000000000000 0.50000000000000 0.36135012776465 22.990 > 73 84 Na 0.50000000000000 0.50000000000000 0.36135012776465 22.990 > 73 85 Na 0.00000000000000 0.00000000000000 0.63864987223535 22.990 > 77 86 Na 0.50000000000000 0.00000000000000 0.63864987223535 22.990 > 77 87 Na 0.00000000000000 0.50000000000000 0.63864987223535 22.990 > 77 88 Na 0.50000000000000 0.50000000000000 0.63864987223535 22.990 > 77 89 Na 0.33333333333333 0.16666666666667 0.69468346109798 22.990 > 73 90 Na 0.83333333333333 0.16666666666667 0.69468346109798 22.990 > 73 91 Na 0.33333333333333 0.66666666666667 0.69468346109798 22.990 > 73 92 Na 0.83333333333333 0.66666666666667 0.69468346109798 22.990 > 73 93 Na 0.33333333333333 0.16666666666667 0.97198320556868 22.990 > 77 94 Na 0.83333333333333 0.16666666666667 0.97198320556868 22.990 > 77 95 Na 0.33333333333333 0.66666666666667 0.97198320556868 22.990 > 77 96 Na 0.83333333333333 0.66666666666667 0.97198320556868 22.990 > 77 97 Sb 0.00000000000000 0.00000000000000 0.16093217438321 121.760 > 97 98 Sb 0.50000000000000 0.00000000000000 0.16093217438321 121.760 > 97 99 Sb 0.00000000000000 0.50000000000000 0.16093217438321 121.760 > 97 100 Sb 0.50000000000000 0.50000000000000 0.16093217438321 121.760 > 97 101 Sb 0.33333333333333 0.16666666666667 0.17240115895013 121.760 > 101 102 Sb 0.83333333333333 0.16666666666667 0.17240115895013 121.760 > 101 103 Sb 0.33333333333333 0.66666666666667 0.17240115895013 121.760 > 101 104 Sb 0.83333333333333 0.66666666666667 0.17240115895013 121.760 > 101 105 Sb 0.33333333333333 0.16666666666667 0.49426550771654 121.760 > 97 106 Sb 0.83333333333333 0.16666666666667 0.49426550771654 121.760 > 97 107 Sb 0.33333333333333 0.66666666666667 0.49426550771654 121.760 > 97 108 Sb 0.83333333333333 0.66666666666667 0.49426550771654 121.760 > 97 109 Sb 0.16666666666667 0.33333333333333 0.50573449228346 121.760 > 101 110 Sb 0.66666666666667 0.33333333333333 0.50573449228346 121.760 > 101 111 Sb 0.16666666666667 0.83333333333333 0.50573449228346 121.760 > 101 112 Sb 0.66666666666667 0.83333333333333 0.50573449228346 121.760 > 101 113 Sb 0.16666666666667 0.33333333333333 0.82759884104987 121.760 > 97 114 Sb 0.66666666666667 0.33333333333333 0.82759884104987 121.760 > 97 115 Sb 0.16666666666667 0.83333333333333 0.82759884104987 121.760 > 97 116 Sb 0.66666666666667 0.83333333333333 0.82759884104987 121.760 > 97 117 Sb 0.00000000000000 0.00000000000000 0.83906782561679 121.760 > 101 118 Sb 0.50000000000000 0.00000000000000 0.83906782561679 121.760 > 101 119 Sb 0.00000000000000 0.50000000000000 0.83906782561679 121.760 > 101 120 Sb 0.50000000000000 0.50000000000000 0.83906782561679 121.760 > 101 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.5731052 -0.0000010 0.0000000 0.0000010 3.5731052 0.0000000 0.0000000 0.0000000 2.7680000 -------------------------- Born effective charges -------------------------- 1 O -2.2664685 0.4646898 0.0776518 0.4912230 -1.6678014 0.1003732 0.0694247 0.1991252 -1.3086591 2 O -1.4035458 0.0069857 -0.1257516 0.0335189 -2.5307241 0.0170618 -0.2071599 -0.0394391 -1.3086591 3 O -2.2313905 -0.5114753 0.0480998 -0.4849421 -1.7028793 -0.1174350 0.1377352 -0.1596862 -1.3086591 4 O -2.2664685 0.4646898 0.0776518 0.4912230 -1.6678014 0.1003732 0.0694247 0.1991252 -1.3086591 5 O -2.2313905 -0.5114753 0.0480998 -0.4849421 -1.7028793 -0.1174350 0.1377352 -0.1596862 -1.3086591 6 O -1.4035458 0.0069857 -0.1257516 0.0335189 -2.5307241 0.0170618 -0.2071599 -0.0394391 -1.3086591 7 Na 1.0561374 0.0275951 0.0000000 -0.0275951 1.0561374 0.0000000 0.0000000 0.0000000 1.3637626 8 Na 1.0561374 0.0275951 0.0000000 -0.0275951 1.0561374 0.0000000 0.0000000 0.0000000 1.3637626 9 Sb 4.8452674 0.0122047 0.0000000 -0.0122047 4.8452674 0.0000000 0.0000000 0.0000000 2.5622147 10 Sb 4.8452674 0.0122047 0.0000000 -0.0122047 4.8452674 0.0000000 0.0000000 0.0000000 2.5622147 ---------------------------------------------------------------------------- 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 (zzz) 0.00000001 (zzz) 0.00000001 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000002 (xz) -0.00000002 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:14:29]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:14:29]------------------------- 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: R-3 (148) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.667372355621183 1.540008147546853 5.341015493333328 b -2.667372355621177 1.540008147546853 5.341015493333328 c -0.000000000000000 -3.080016295093706 5.341015493333328 Atomic positions (fractional): 1 O 0.04019712932358 0.43970376991340 0.80770510450280 15.999 2 O 0.80770510450280 0.04019712932358 0.43970376991340 15.999 3 O 0.43970376991340 0.80770510450280 0.04019712932358 15.999 4 O 0.95980287067642 0.56029623008660 0.19229489549720 15.999 5 O 0.56029623008660 0.19229489549720 0.95980287067642 15.999 6 O 0.19229489549720 0.95980287067642 0.56029623008660 15.999 7 Na 0.36135012776465 0.36135012776465 0.36135012776465 22.990 8 Na 0.63864987223535 0.63864987223535 0.63864987223535 22.990 9 Sb 0.16093217438321 0.16093217438321 0.16093217438321 121.760 10 Sb 0.83906782561679 0.83906782561679 0.83906782561679 121.760 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.669489422484721 0.000000000000000 0.000000000000000 b -5.334744711242360 9.240048885281128 0.000000000000000 c 0.000000000000000 0.000000000000000 16.023046480000001 Atomic positions (fractional): 1 O 0.47216423070516 0.14408178170523 0.09586866791326 15.999 > 1 2 O 0.97216423070516 0.14408178170523 0.09586866791326 15.999 > 1 3 O 0.47216423070516 0.64408178170523 0.09586866791326 15.999 > 1 4 O 0.97216423070516 0.64408178170523 0.09586866791326 15.999 > 1 5 O 0.35591821829477 0.32808244899993 0.09586866791326 15.999 > 5 6 O 0.85591821829477 0.32808244899993 0.09586866791326 15.999 > 5 7 O 0.35591821829477 0.82808244899993 0.09586866791326 15.999 > 5 8 O 0.85591821829477 0.82808244899993 0.09586866791326 15.999 > 5 9 O 0.17191755100007 0.02783576929484 0.09586866791326 15.999 > 9 10 O 0.67191755100007 0.02783576929484 0.09586866791326 15.999 > 9 11 O 0.17191755100007 0.52783576929484 0.09586866791326 15.999 > 9 12 O 0.67191755100007 0.52783576929484 0.09586866791326 15.999 > 9 13 O 0.36116910262817 0.02258488496144 0.23746466542007 15.999 > 13 14 O 0.86116910262817 0.02258488496144 0.23746466542007 15.999 > 13 15 O 0.36116910262817 0.52258488496144 0.23746466542007 15.999 > 13 16 O 0.86116910262817 0.52258488496144 0.23746466542007 15.999 > 13 17 O 0.16141578233326 0.13883089737183 0.23746466542007 15.999 > 17 18 O 0.66141578233326 0.13883089737183 0.23746466542007 15.999 > 17 19 O 0.16141578233326 0.63883089737183 0.23746466542007 15.999 > 17 20 O 0.66141578233326 0.63883089737183 0.23746466542007 15.999 > 17 21 O 0.47741511503856 0.33858421766674 0.23746466542007 15.999 > 21 22 O 0.97741511503856 0.33858421766674 0.23746466542007 15.999 > 21 23 O 0.47741511503856 0.83858421766674 0.23746466542007 15.999 > 21 24 O 0.97741511503856 0.83858421766674 0.23746466542007 15.999 > 21 25 O 0.30549756403849 0.31074844837190 0.42920200124659 15.999 > 1 26 O 0.80549756403849 0.31074844837190 0.42920200124659 15.999 > 1 27 O 0.30549756403849 0.81074844837190 0.42920200124659 15.999 > 1 28 O 0.80549756403849 0.81074844837190 0.42920200124659 15.999 > 1 29 O 0.18925155162810 0.49474911566660 0.42920200124659 15.999 > 5 30 O 0.68925155162810 0.49474911566660 0.42920200124659 15.999 > 5 31 O 0.18925155162810 0.99474911566660 0.42920200124659 15.999 > 5 32 O 0.68925155162810 0.99474911566660 0.42920200124659 15.999 > 5 33 O 0.00525088433340 0.19450243596151 0.42920200124659 15.999 > 9 34 O 0.50525088433340 0.19450243596151 0.42920200124659 15.999 > 9 35 O 0.00525088433340 0.69450243596151 0.42920200124659 15.999 > 9 36 O 0.50525088433340 0.69450243596151 0.42920200124659 15.999 > 9 37 O 0.19450243596151 0.18925155162810 0.57079799875341 15.999 > 13 38 O 0.69450243596151 0.18925155162810 0.57079799875341 15.999 > 13 39 O 0.19450243596151 0.68925155162810 0.57079799875341 15.999 > 13 40 O 0.69450243596151 0.68925155162810 0.57079799875341 15.999 > 13 41 O 0.49474911566660 0.30549756403849 0.57079799875341 15.999 > 17 42 O 0.99474911566660 0.30549756403849 0.57079799875341 15.999 > 17 43 O 0.49474911566660 0.80549756403849 0.57079799875341 15.999 > 17 44 O 0.99474911566660 0.80549756403849 0.57079799875341 15.999 > 17 45 O 0.31074844837190 0.00525088433340 0.57079799875341 15.999 > 21 46 O 0.81074844837190 0.00525088433340 0.57079799875341 15.999 > 21 47 O 0.31074844837190 0.50525088433340 0.57079799875341 15.999 > 21 48 O 0.81074844837190 0.50525088433340 0.57079799875341 15.999 > 21 49 O 0.13883089737183 0.47741511503856 0.76253533457993 15.999 > 1 50 O 0.63883089737183 0.47741511503856 0.76253533457993 15.999 > 1 51 O 0.13883089737183 0.97741511503856 0.76253533457993 15.999 > 1 52 O 0.63883089737183 0.97741511503856 0.76253533457993 15.999 > 1 53 O 0.02258488496144 0.16141578233326 0.76253533457993 15.999 > 5 54 O 0.52258488496144 0.16141578233326 0.76253533457993 15.999 > 5 55 O 0.02258488496144 0.66141578233326 0.76253533457993 15.999 > 5 56 O 0.52258488496144 0.66141578233326 0.76253533457993 15.999 > 5 57 O 0.33858421766674 0.36116910262817 0.76253533457993 15.999 > 9 58 O 0.83858421766674 0.36116910262817 0.76253533457993 15.999 > 9 59 O 0.33858421766674 0.86116910262817 0.76253533457993 15.999 > 9 60 O 0.83858421766674 0.86116910262817 0.76253533457993 15.999 > 9 61 O 0.02783576929484 0.35591821829477 0.90413133208674 15.999 > 13 62 O 0.52783576929484 0.35591821829477 0.90413133208674 15.999 > 13 63 O 0.02783576929484 0.85591821829477 0.90413133208674 15.999 > 13 64 O 0.52783576929484 0.85591821829477 0.90413133208674 15.999 > 13 65 O 0.32808244899993 0.47216423070516 0.90413133208674 15.999 > 17 66 O 0.82808244899993 0.47216423070516 0.90413133208674 15.999 > 17 67 O 0.32808244899993 0.97216423070516 0.90413133208674 15.999 > 17 68 O 0.82808244899993 0.97216423070516 0.90413133208674 15.999 > 17 69 O 0.14408178170523 0.17191755100007 0.90413133208674 15.999 > 21 70 O 0.64408178170523 0.17191755100007 0.90413133208674 15.999 > 21 71 O 0.14408178170523 0.67191755100007 0.90413133208674 15.999 > 21 72 O 0.64408178170523 0.67191755100007 0.90413133208674 15.999 > 21 73 Na 0.16666666666667 0.33333333333333 0.02801679443132 22.990 > 73 74 Na 0.66666666666667 0.33333333333333 0.02801679443132 22.990 > 73 75 Na 0.16666666666667 0.83333333333333 0.02801679443132 22.990 > 73 76 Na 0.66666666666667 0.83333333333333 0.02801679443132 22.990 > 73 77 Na 0.16666666666667 0.33333333333333 0.30531653890202 22.990 > 77 78 Na 0.66666666666667 0.33333333333333 0.30531653890202 22.990 > 77 79 Na 0.16666666666667 0.83333333333333 0.30531653890202 22.990 > 77 80 Na 0.66666666666667 0.83333333333333 0.30531653890202 22.990 > 77 81 Na 0.00000000000000 0.00000000000000 0.36135012776465 22.990 > 73 82 Na 0.50000000000000 0.00000000000000 0.36135012776465 22.990 > 73 83 Na 0.00000000000000 0.50000000000000 0.36135012776465 22.990 > 73 84 Na 0.50000000000000 0.50000000000000 0.36135012776465 22.990 > 73 85 Na 0.00000000000000 0.00000000000000 0.63864987223535 22.990 > 77 86 Na 0.50000000000000 0.00000000000000 0.63864987223535 22.990 > 77 87 Na 0.00000000000000 0.50000000000000 0.63864987223535 22.990 > 77 88 Na 0.50000000000000 0.50000000000000 0.63864987223535 22.990 > 77 89 Na 0.33333333333333 0.16666666666667 0.69468346109798 22.990 > 73 90 Na 0.83333333333333 0.16666666666667 0.69468346109798 22.990 > 73 91 Na 0.33333333333333 0.66666666666667 0.69468346109798 22.990 > 73 92 Na 0.83333333333333 0.66666666666667 0.69468346109798 22.990 > 73 93 Na 0.33333333333333 0.16666666666667 0.97198320556868 22.990 > 77 94 Na 0.83333333333333 0.16666666666667 0.97198320556868 22.990 > 77 95 Na 0.33333333333333 0.66666666666667 0.97198320556868 22.990 > 77 96 Na 0.83333333333333 0.66666666666667 0.97198320556868 22.990 > 77 97 Sb 0.00000000000000 0.00000000000000 0.16093217438321 121.760 > 97 98 Sb 0.50000000000000 0.00000000000000 0.16093217438321 121.760 > 97 99 Sb 0.00000000000000 0.50000000000000 0.16093217438321 121.760 > 97 100 Sb 0.50000000000000 0.50000000000000 0.16093217438321 121.760 > 97 101 Sb 0.33333333333333 0.16666666666667 0.17240115895013 121.760 > 101 102 Sb 0.83333333333333 0.16666666666667 0.17240115895013 121.760 > 101 103 Sb 0.33333333333333 0.66666666666667 0.17240115895013 121.760 > 101 104 Sb 0.83333333333333 0.66666666666667 0.17240115895013 121.760 > 101 105 Sb 0.33333333333333 0.16666666666667 0.49426550771654 121.760 > 97 106 Sb 0.83333333333333 0.16666666666667 0.49426550771654 121.760 > 97 107 Sb 0.33333333333333 0.66666666666667 0.49426550771654 121.760 > 97 108 Sb 0.83333333333333 0.66666666666667 0.49426550771654 121.760 > 97 109 Sb 0.16666666666667 0.33333333333333 0.50573449228346 121.760 > 101 110 Sb 0.66666666666667 0.33333333333333 0.50573449228346 121.760 > 101 111 Sb 0.16666666666667 0.83333333333333 0.50573449228346 121.760 > 101 112 Sb 0.66666666666667 0.83333333333333 0.50573449228346 121.760 > 101 113 Sb 0.16666666666667 0.33333333333333 0.82759884104987 121.760 > 97 114 Sb 0.66666666666667 0.33333333333333 0.82759884104987 121.760 > 97 115 Sb 0.16666666666667 0.83333333333333 0.82759884104987 121.760 > 97 116 Sb 0.66666666666667 0.83333333333333 0.82759884104987 121.760 > 97 117 Sb 0.00000000000000 0.00000000000000 0.83906782561679 121.760 > 101 118 Sb 0.50000000000000 0.00000000000000 0.83906782561679 121.760 > 101 119 Sb 0.00000000000000 0.50000000000000 0.83906782561679 121.760 > 101 120 Sb 0.50000000000000 0.50000000000000 0.83906782561679 121.760 > 101 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.5731052 -0.0000010 0.0000000 0.0000010 3.5731052 0.0000000 0.0000000 0.0000000 2.7680000 -------------------------- Born effective charges -------------------------- 1 O -2.2664685 0.4646898 0.0776518 0.4912230 -1.6678014 0.1003732 0.0694247 0.1991252 -1.3086591 2 O -1.4035458 0.0069857 -0.1257516 0.0335189 -2.5307241 0.0170618 -0.2071599 -0.0394391 -1.3086591 3 O -2.2313905 -0.5114753 0.0480998 -0.4849421 -1.7028793 -0.1174350 0.1377352 -0.1596862 -1.3086591 4 O -2.2664685 0.4646898 0.0776518 0.4912230 -1.6678014 0.1003732 0.0694247 0.1991252 -1.3086591 5 O -2.2313905 -0.5114753 0.0480998 -0.4849421 -1.7028793 -0.1174350 0.1377352 -0.1596862 -1.3086591 6 O -1.4035458 0.0069857 -0.1257516 0.0335189 -2.5307241 0.0170618 -0.2071599 -0.0394391 -1.3086591 7 Na 1.0561374 0.0275951 0.0000000 -0.0275951 1.0561374 0.0000000 0.0000000 0.0000000 1.3637626 8 Na 1.0561374 0.0275951 0.0000000 -0.0275951 1.0561374 0.0000000 0.0000000 0.0000000 1.3637626 9 Sb 4.8452674 0.0122047 0.0000000 -0.0122047 4.8452674 0.0000000 0.0000000 0.0000000 2.5622147 10 Sb 4.8452674 0.0122047 0.0000000 -0.0122047 4.8452674 0.0000000 0.0000000 0.0000000 2.5622147 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (zzz) 0.00000001 (zzz) 0.00000001 (zzz) 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: 0.82, Number of G-points: 291, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/226) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 226 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 4.529 ( 0.000 0.000 0.000) 0.000 5.202 ( 0.000 0.000 0.000) 0.000 5.202 ( 0.000 0.000 0.000) 0.000 5.464 ( 0.000 0.000 0.000) 0.000 5.808 ( 0.000 0.000 0.000) 0.000 5.811 ( 0.000 0.000 0.000) 0.000 5.811 ( 0.000 0.000 0.000) 0.000 6.636 ( 0.000 0.000 0.000) 0.000 6.636 ( 0.000 0.000 0.000) 0.000 8.483 ( 0.000 0.000 0.000) 0.000 8.537 ( 0.000 0.000 0.000) 0.000 9.110 ( 0.000 0.000 0.000) 0.000 9.110 ( 0.000 0.000 0.000) 0.000 9.110 ( 0.000 0.000 0.000) 0.000 9.110 ( 0.000 0.000 0.000) 0.000 14.604 ( 0.000 0.000 0.000) 0.000 14.604 ( 0.000 0.000 0.000) 0.000 15.078 ( 0.000 0.000 0.000) 0.000 15.078 ( 0.000 0.000 0.000) 0.000 16.337 ( 0.000 0.000 0.000) 0.000 16.337 ( 0.000 0.000 0.000) 0.000 17.274 ( 0.000 0.000 0.000) 0.000 17.616 ( 0.000 0.000 0.000) 0.000 18.957 ( 0.000 0.000 0.000) 0.000 19.132 ( 0.000 0.000 0.000) 0.000 19.132 ( 0.000 0.000 0.000) 0.000 19.250 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/226) ======================= q-point: ( 0.09 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.433 ( 14.430 11.755 14.860) 23.817 0.608 ( 22.540 20.156 2.739) 30.362 1.308 ( 57.492 28.899 4.777) 64.524 4.434 ( -7.384 -4.376 -1.870) 8.785 5.146 ( -4.691 -4.844 0.634) 6.773 5.199 ( -5.155 -3.378 -12.293) 13.751 5.498 ( -8.747 -5.481 21.077) 23.469 5.794 ( -0.275 -2.431 -1.985) 3.150 5.838 ( -1.803 5.111 2.834) 6.116 5.918 ( 5.514 1.948 5.065) 7.736 6.635 ( -0.445 0.957 1.334) 1.701 6.672 ( 2.975 1.271 1.510) 3.570 8.454 ( -2.164 -1.281 -1.045) 2.723 8.501 ( -2.978 -1.685 -0.434) 3.449 8.976 ( -11.285 5.851 -1.316) 12.779 9.024 ( -1.238 -14.356 1.693) 14.508 9.279 ( 8.422 5.468 -1.062) 10.097 10.509 ( 6.887 3.411 -12.291) 14.496 14.602 ( 1.136 -1.655 -0.955) 2.224 14.690 ( 5.943 5.739 1.366) 8.374 15.110 ( 2.311 2.962 -0.794) 3.840 15.827 ( 2.800 1.229 -6.491) 7.175 16.349 ( 0.745 0.295 1.792) 1.963 17.161 ( 1.378 0.908 -20.514) 20.580 17.599 ( -1.824 -1.026 1.330) 2.480 18.949 ( -0.697 -0.350 -0.284) 0.830 19.107 ( -2.120 0.183 -1.762) 2.763 19.132 ( -0.159 0.649 -0.361) 0.760 19.252 ( 4.253 1.715 -7.307) 8.627 20.151 ( 1.026 -1.343 -8.593) 8.758 ======================= Grid point 2 (3/226) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.901 ( 17.711 12.514 12.048) 24.808 1.182 ( 19.965 18.705 2.805) 27.501 2.561 ( 53.460 27.257 3.413) 60.105 4.207 ( -10.500 -6.446 -1.839) 12.457 4.928 ( -12.148 -2.622 -5.243) 13.488 5.032 ( -2.858 -10.756 -1.855) 11.282 5.431 ( -4.514 -2.700 9.319) 10.701 5.711 ( -1.902 -6.729 -6.118) 9.291 5.852 ( -5.989 6.388 5.392) 10.284 6.034 ( 3.077 2.169 2.088) 4.305 6.672 ( 1.056 2.930 3.082) 4.381 6.773 ( 5.339 2.025 2.598) 6.273 8.382 ( -2.516 -3.268 -2.144) 4.648 8.406 ( -5.097 -1.743 -1.163) 5.511 8.738 ( -19.133 -1.275 2.229) 19.305 8.895 ( 0.668 -11.359 -1.611) 11.492 9.485 ( 9.378 6.373 -1.600) 11.451 10.618 ( 7.162 3.386 -4.643) 9.183 14.602 ( 2.349 -2.744 -1.414) 3.879 14.896 ( 6.731 8.688 1.744) 11.128 15.213 ( 6.519 5.284 -1.126) 8.467 15.858 ( 2.948 1.799 -5.180) 6.226 16.394 ( 2.523 0.890 2.722) 3.817 17.048 ( -4.784 -2.426 -5.349) 7.575 17.545 ( -4.015 -2.161 2.292) 5.103 18.919 ( -1.749 -0.623 -1.832) 2.608 19.057 ( -2.564 0.365 -1.497) 2.991 19.136 ( -0.126 1.123 -0.566) 1.264 19.312 ( 4.484 1.177 -3.777) 5.980 20.085 ( -0.917 -3.600 -6.271) 7.289 ======================= Grid point 3 (4/226) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( 21.119 13.021 8.921) 26.366 1.665 ( 14.596 15.314 2.337) 21.284 3.611 ( 31.059 16.639 1.086) 35.252 4.008 ( 1.363 -0.128 -0.841) 1.607 4.682 ( -7.247 -5.769 -5.027) 10.539 4.865 ( -3.489 -8.460 0.609) 9.171 5.405 ( -1.560 -0.277 6.191) 6.390 5.531 ( -5.950 -7.613 -7.796) 12.415 5.832 ( -6.429 5.551 5.339) 10.033 6.093 ( 0.489 2.078 1.437) 2.573 6.749 ( 1.304 3.889 3.476) 5.377 6.914 ( 6.689 1.971 3.009) 7.595 8.247 ( -7.357 -7.195 -1.784) 10.444 8.320 ( -4.208 0.140 -3.141) 5.253 8.371 ( -17.423 -6.723 3.981) 19.095 8.779 ( -1.974 -7.676 -3.087) 8.506 9.693 ( 8.676 5.859 -1.563) 10.585 10.753 ( 6.628 3.207 -1.690) 7.555 14.613 ( 3.273 -3.303 -1.333) 4.838 15.028 ( -0.536 5.858 -0.494) 5.903 15.461 ( 13.888 8.437 1.088) 16.287 15.910 ( 4.091 3.526 -6.246) 8.257 16.482 ( 4.413 1.640 2.318) 5.248 16.903 ( -7.584 -3.583 2.918) 8.881 17.444 ( -6.262 -3.320 2.711) 7.589 18.858 ( -2.485 -0.659 -3.991) 4.747 19.022 ( -1.493 0.536 0.284) 1.611 19.143 ( -0.072 1.371 -0.777) 1.577 19.373 ( 3.909 0.124 -2.911) 4.876 19.984 ( -2.148 -4.263 -5.525) 7.301 ======================= Grid point 4 (5/226) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.964 ( 21.565 10.433 7.424) 25.080 1.987 ( 8.183 11.835 -0.013) 14.388 3.585 ( -14.237 -6.429 -0.334) 15.624 4.378 ( 6.838 9.646 -0.376) 11.830 4.537 ( 0.758 -12.830 1.108) 12.900 4.933 ( 16.727 2.833 -7.205) 18.431 5.307 ( -5.609 -3.694 -5.344) 8.583 5.467 ( 4.260 4.279 4.754) 7.685 5.814 ( -4.636 5.435 4.159) 8.265 6.133 ( 1.246 3.213 3.260) 4.743 6.822 ( 0.507 3.752 3.423) 5.104 7.057 ( 6.034 0.714 2.424) 6.542 7.842 ( -22.719 -12.311 -0.029) 25.840 8.147 ( -6.408 -2.394 -0.312) 6.848 8.306 ( 2.158 -1.838 -0.634) 2.904 8.640 ( -4.541 -5.281 -3.798) 7.933 9.864 ( 6.175 4.128 -1.119) 7.512 10.874 ( 4.702 2.338 -0.412) 5.267 14.632 ( 3.265 -3.127 -0.885) 4.607 15.024 ( -3.551 3.253 -1.165) 4.955 15.787 ( 12.242 6.220 2.278) 13.919 16.002 ( 6.502 5.941 -8.177) 12.018 16.590 ( 4.455 1.527 1.538) 4.955 16.767 ( -7.350 -2.734 7.315) 10.725 17.301 ( -7.641 -4.136 2.454) 9.028 18.789 ( -1.872 -0.497 -3.923) 4.375 19.016 ( -0.521 0.635 1.073) 1.351 19.150 ( -0.094 1.221 -0.927) 1.536 19.409 ( 2.454 -1.006 -2.168) 3.425 19.878 ( -2.248 -3.230 -4.064) 5.657 ======================= Grid point 5 (6/226) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.118 ( 1.583 2.927 0.427) 3.355 2.468 ( 17.034 9.145 3.118) 19.584 3.235 ( -14.702 -6.931 -1.468) 16.321 4.445 ( -0.329 -4.490 0.389) 4.519 4.561 ( 7.148 5.962 4.772) 10.460 4.871 ( -8.623 -6.709 -7.820) 13.436 5.336 ( 3.966 0.416 -1.225) 4.171 5.642 ( 5.167 1.134 -0.785) 5.348 5.846 ( -0.249 4.575 1.165) 4.727 6.325 ( 10.588 8.939 4.245) 14.493 6.889 ( 1.317 4.760 4.641) 6.778 7.089 ( -4.176 -7.389 -1.557) 8.629 7.382 ( -12.350 -6.394 -0.916) 13.937 8.046 ( -2.640 -1.065 -0.415) 2.877 8.362 ( 5.164 -0.179 1.642) 5.421 8.487 ( -6.007 -2.530 -3.374) 7.340 9.961 ( 2.245 1.492 -0.407) 2.726 10.945 ( 1.701 0.858 -0.038) 1.905 14.648 ( 1.512 -1.431 -0.294) 2.103 14.988 ( -1.948 1.209 -0.505) 2.348 15.959 ( 3.160 1.322 0.378) 3.446 16.148 ( 6.103 4.258 -4.581) 8.739 16.620 ( -2.903 -1.396 4.904) 5.867 16.741 ( 1.833 1.375 0.573) 2.362 17.157 ( -4.919 -2.739 1.243) 5.766 18.748 ( -0.651 -0.193 -1.622) 1.758 19.023 ( -0.046 0.343 0.619) 0.709 19.152 ( -0.078 0.504 -0.521) 0.729 19.417 ( 0.781 -0.751 -0.836) 1.369 19.811 ( -0.955 -1.126 -1.516) 2.116 ======================= Grid point 12 (7/226) ======================= q-point: ( 0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.583 ( -2.596 16.636 22.588) 28.173 0.669 ( 17.868 26.066 11.935) 33.781 1.313 ( -7.639 62.604 5.521) 63.310 4.422 ( -0.110 -8.733 -2.197) 9.005 5.030 ( -1.007 -8.717 -10.922) 14.010 5.239 ( -2.618 -0.830 -3.438) 4.400 5.656 ( -3.567 -18.161 20.690) 27.760 5.797 ( 2.944 -5.079 3.661) 6.919 5.840 ( 3.034 -0.563 4.774) 5.685 5.944 ( 0.613 5.271 7.766) 9.406 6.649 ( 1.612 0.575 1.163) 2.069 6.672 ( -0.347 1.537 3.097) 3.475 8.451 ( 0.033 -2.014 -1.306) 2.401 8.496 ( 0.016 -3.563 -1.017) 3.705 8.987 ( -2.048 -11.242 -1.260) 11.496 9.003 ( 3.653 -4.228 0.535) 5.613 9.299 ( -2.856 10.903 1.148) 11.329 10.402 ( -0.739 16.228 -21.848) 27.226 14.604 ( -4.183 0.486 -0.695) 4.268 14.681 ( 3.994 7.323 0.477) 8.355 15.112 ( 3.241 3.651 -0.620) 4.921 15.796 ( -1.225 8.723 -10.346) 13.587 16.331 ( -0.106 -0.258 -0.217) 0.353 17.016 ( 0.155 14.478 -28.227) 31.724 17.606 ( 0.018 -1.514 0.915) 1.769 18.949 ( 0.095 -0.665 -0.302) 0.737 19.095 ( 2.835 -0.076 -4.411) 5.244 19.121 ( 0.625 -0.354 -1.050) 1.272 19.224 ( -1.596 7.662 -6.366) 10.089 20.085 ( -2.693 1.744 -10.394) 10.878 ======================= Grid point 13 (8/226) ======================= q-point: ( 0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.922 ( 7.411 14.460 21.985) 27.338 1.259 ( 12.115 26.935 11.811) 31.808 2.164 ( 31.404 50.814 1.161) 59.746 4.253 ( -6.121 -10.406 -2.249) 12.281 4.885 ( 1.505 -10.895 -9.496) 14.531 5.059 ( -10.215 -4.845 -5.162) 12.428 5.525 ( -4.678 -6.406 8.990) 11.989 5.696 ( -5.691 -8.944 2.118) 10.810 5.955 ( 4.101 3.401 1.257) 5.474 6.057 ( -0.222 3.116 9.346) 9.854 6.706 ( 1.700 3.542 1.380) 4.164 6.727 ( 3.368 0.068 4.978) 6.010 8.388 ( -3.281 -3.775 -2.269) 5.492 8.434 ( -2.023 -3.081 -1.543) 3.996 8.719 ( -5.757 -15.974 0.597) 16.990 9.151 ( -3.394 3.458 -0.114) 4.847 9.281 ( 2.918 4.231 -1.723) 5.421 10.513 ( 7.097 9.615 -10.416) 15.853 14.532 ( -1.504 -1.764 -2.846) 3.671 14.912 ( 9.001 12.205 2.908) 15.441 15.206 ( 1.691 5.449 1.106) 5.812 15.814 ( 0.711 5.770 -7.384) 9.398 16.366 ( 3.271 0.081 1.156) 3.470 17.017 ( 0.973 1.997 -10.135) 10.376 17.582 ( -1.626 -2.717 2.112) 3.807 18.931 ( -1.123 -0.789 -0.948) 1.669 19.087 ( -0.797 -1.623 -0.630) 1.914 19.138 ( 1.121 0.892 -1.791) 2.294 19.256 ( 1.086 6.180 -5.748) 8.510 19.994 ( -0.396 -3.490 -9.555) 10.180 ======================= Grid point 14 (9/226) ======================= q-point: ( 0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( 12.206 15.210 15.768) 25.079 1.765 ( 7.989 29.370 7.007) 31.233 3.205 ( 37.618 33.548 1.437) 50.425 4.025 ( -6.769 -9.381 -0.913) 11.604 4.731 ( -3.853 -9.244 -9.707) 13.947 4.807 ( -6.203 -7.336 -2.722) 9.985 5.465 ( -1.989 -3.658 1.470) 4.415 5.503 ( -6.104 -7.160 1.782) 9.576 6.026 ( -2.985 5.094 3.375) 6.801 6.103 ( -0.107 -0.385 6.386) 6.399 6.782 ( 1.412 1.650 5.504) 5.917 6.842 ( 6.187 3.055 0.688) 6.934 8.246 ( -4.852 -8.199 -3.038) 10.000 8.348 ( -3.530 -3.741 -1.355) 5.319 8.465 ( -6.131 -15.310 0.948) 16.519 8.989 ( -17.829 10.409 -0.136) 20.646 9.471 ( 15.433 -3.365 -2.786) 16.040 10.680 ( 6.832 7.803 -4.599) 11.346 14.488 ( 1.850 -4.371 -3.466) 5.878 15.183 ( -0.342 15.006 2.629) 15.239 15.331 ( 10.045 6.118 1.458) 11.851 15.852 ( 2.492 4.645 -6.563) 8.418 16.448 ( 4.009 2.267 1.637) 4.888 16.970 ( -2.843 -2.590 1.141) 4.012 17.517 ( -4.121 -4.121 3.868) 6.994 18.880 ( -2.803 -0.455 -3.139) 4.233 19.052 ( -1.327 -0.518 -0.405) 1.481 19.152 ( 0.212 1.068 -0.626) 1.256 19.304 ( 2.344 3.420 -5.141) 6.605 19.897 ( 0.599 -5.983 -8.548) 10.451 ======================= Grid point 15 (10/226) ======================= q-point: ( 0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.810 ( 16.106 14.809 10.604) 24.313 2.157 ( 0.426 28.615 2.632) 28.739 3.720 ( -7.558 -5.130 2.377) 9.438 4.120 ( 26.154 5.747 1.278) 26.808 4.493 ( -6.286 -3.317 -6.539) 9.657 4.724 ( 5.589 -3.582 -5.050) 8.341 5.304 ( -3.915 -6.509 -4.748) 8.958 5.498 ( 0.359 3.926 3.826) 5.494 5.987 ( -7.360 2.125 3.837) 8.568 6.153 ( 2.336 0.899 5.700) 6.225 6.842 ( 1.786 -0.581 4.419) 4.801 6.989 ( 5.810 4.143 0.171) 7.138 7.971 ( -11.933 -17.328 -2.413) 21.178 8.205 ( -4.087 -9.857 2.661) 10.997 8.310 ( -3.747 2.313 -2.278) 4.958 8.795 ( -14.649 7.544 -0.989) 16.507 9.670 ( 13.935 -4.709 -2.562) 14.931 10.834 ( 4.889 6.566 -1.979) 8.422 14.469 ( 4.471 -6.598 -3.287) 8.621 15.228 ( -7.546 11.596 0.864) 13.862 15.650 ( 13.463 8.392 2.212) 16.017 15.920 ( 4.484 5.240 -6.901) 9.756 16.558 ( 3.972 4.227 1.013) 5.888 16.891 ( -5.486 -3.791 7.395) 9.957 17.403 ( -6.858 -5.242 5.429) 10.198 18.804 ( -2.836 0.295 -4.748) 5.538 19.032 ( -0.482 -0.422 0.211) 0.674 19.160 ( -0.153 1.093 -0.605) 1.258 19.341 ( 2.563 1.265 -4.491) 5.323 19.809 ( 1.167 -5.893 -6.335) 8.731 ======================= Grid point 16 (11/226) ======================= q-point: ( 0.45 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.259 ( 9.574 13.164 5.736) 17.258 2.381 ( -1.169 24.255 0.453) 24.287 3.430 ( -16.516 -8.761 0.329) 18.699 4.301 ( 7.416 -11.263 0.453) 13.493 4.530 ( 5.380 4.031 4.681) 8.191 4.809 ( 4.265 -5.508 -7.992) 10.602 5.243 ( 4.529 3.339 -4.771) 7.377 5.595 ( 3.125 5.241 -0.163) 6.104 5.889 ( -3.999 -4.089 0.802) 5.776 6.308 ( 7.076 8.195 7.105) 12.951 6.888 ( 3.289 -2.217 2.974) 4.957 7.079 ( -0.505 -0.200 0.058) 0.546 7.531 ( -16.433 -13.407 -2.681) 21.377 8.079 ( -3.570 -3.918 0.064) 5.301 8.326 ( 2.274 3.656 2.055) 4.771 8.629 ( -11.363 5.077 -1.279) 12.511 9.811 ( 10.549 -6.899 -1.983) 12.760 10.943 ( 2.020 4.945 -0.962) 5.428 14.473 ( 6.505 -8.011 -2.628) 10.649 15.201 ( -9.249 11.901 0.883) 15.098 15.899 ( 6.698 3.806 -0.295) 7.709 16.047 ( 7.737 6.416 -4.989) 11.221 16.663 ( 1.521 2.785 3.001) 4.368 16.794 ( -5.461 -2.195 4.632) 7.490 17.251 ( -8.057 -5.378 6.140) 11.469 18.750 ( -1.079 0.960 -3.576) 3.857 19.024 ( 0.014 -0.808 -0.212) 0.835 19.160 ( -0.446 0.539 -0.256) 0.745 19.373 ( 2.657 1.015 -3.184) 4.269 19.757 ( 2.190 -4.433 -3.366) 5.981 ======================= Grid point 17 (12/226) ======================= q-point: (-0.45 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.334 ( -12.761 17.205 -0.242) 21.423 2.616 ( -4.264 3.316 -0.377) 5.415 3.145 ( -1.279 -1.076 2.163) 2.734 4.369 ( 8.681 -2.191 -1.440) 9.068 4.594 ( -6.509 -8.138 -2.264) 10.663 4.788 ( 10.104 3.191 5.887) 12.122 5.352 ( 2.891 2.978 -1.597) 4.447 5.675 ( 2.578 2.513 -1.628) 3.951 5.779 ( -1.544 -10.261 -0.873) 10.413 6.469 ( -8.822 0.696 1.073) 8.914 6.833 ( -5.085 -10.898 -4.260) 12.758 7.040 ( 8.745 3.468 5.899) 11.104 7.318 ( -1.440 1.962 -4.296) 4.938 8.022 ( 0.241 -1.093 -0.021) 1.119 8.454 ( 1.078 3.969 2.338) 4.731 8.515 ( -4.518 8.355 1.624) 9.636 9.863 ( 6.119 -9.768 -1.243) 11.593 10.985 ( -1.349 3.176 -0.694) 3.519 14.502 ( 7.596 -8.050 -2.049) 11.256 15.169 ( -9.196 12.352 1.607) 15.483 15.975 ( 0.603 1.131 -1.524) 1.991 16.183 ( 2.489 1.973 0.008) 3.176 16.604 ( -4.903 -5.278 3.091) 7.839 16.792 ( -1.443 4.583 -1.940) 5.182 17.136 ( -2.073 -2.590 4.164) 5.323 18.748 ( 0.646 1.430 -0.334) 1.605 19.010 ( 0.067 -1.179 -1.406) 1.836 19.154 ( -0.451 -0.547 1.018) 1.241 19.417 ( 2.045 2.109 -1.647) 3.368 19.763 ( 3.975 -2.445 -0.628) 4.708 ======================= Grid point 18 (13/226) ======================= q-point: (-0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.215 ( -18.022 7.140 -2.802) 19.586 2.255 ( -24.586 -2.401 -0.686) 24.713 3.388 ( 15.591 5.408 2.550) 16.698 4.371 ( -5.636 -10.457 0.252) 11.882 4.531 ( 9.562 5.965 -3.546) 11.815 5.088 ( 12.820 4.206 8.589) 15.995 5.345 ( -7.752 -0.856 0.871) 7.848 5.520 ( -13.552 -13.242 -5.291) 19.673 5.724 ( 1.191 2.381 -0.864) 2.798 6.145 ( -9.827 -5.265 -1.871) 11.305 6.757 ( 1.266 -5.326 -0.817) 5.535 7.144 ( -4.741 1.297 -2.985) 5.751 7.518 ( 21.833 5.134 -0.777) 22.442 8.067 ( 4.896 0.196 0.512) 4.927 8.400 ( -5.050 3.240 -0.047) 6.001 8.704 ( 3.719 14.076 4.715) 15.303 9.813 ( 1.673 -12.674 -0.538) 12.796 10.953 ( -4.545 1.638 -0.596) 4.868 14.544 ( 6.900 -6.701 -2.018) 9.828 15.153 ( -7.952 11.444 2.884) 14.231 15.905 ( -8.062 -2.710 -2.723) 8.931 16.118 ( -8.048 -5.908 8.091) 12.850 16.588 ( 5.856 1.079 -3.801) 7.064 16.721 ( -6.904 0.939 -2.230) 7.316 17.201 ( 6.660 1.624 0.494) 6.873 18.790 ( 1.546 1.609 2.661) 3.473 18.992 ( 0.454 -0.883 -1.978) 2.213 19.145 ( -0.354 -1.572 1.834) 2.441 19.451 ( -0.040 1.873 -0.318) 1.900 19.838 ( 5.827 0.024 0.892) 5.895 ======================= Grid point 19 (14/226) ======================= q-point: (-0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.694 ( -26.653 -7.924 -4.467) 28.163 1.971 ( -24.427 6.845 1.909) 25.440 3.675 ( 9.824 1.506 1.404) 10.037 4.136 ( -13.736 -15.403 1.860) 20.722 4.740 ( 4.875 8.521 -2.820) 10.214 4.896 ( -15.887 -1.737 -2.880) 16.239 5.361 ( 3.963 -2.009 0.212) 4.448 5.411 ( 9.883 1.646 -1.506) 10.132 5.765 ( 0.594 3.341 1.874) 3.877 6.057 ( 0.773 -3.991 1.609) 4.372 6.714 ( -0.460 -4.026 -0.269) 4.061 7.009 ( -7.953 -0.221 -3.869) 8.847 7.957 ( 24.574 2.086 -1.053) 24.685 8.180 ( 7.231 0.311 0.437) 7.251 8.374 ( -2.069 3.230 0.694) 3.899 8.923 ( 1.072 17.053 2.561) 17.278 9.673 ( -1.775 -14.863 -0.060) 14.969 10.863 ( -6.799 0.577 -0.309) 6.831 14.575 ( 4.608 -4.565 -2.470) 6.941 15.145 ( -7.770 9.154 4.019) 12.662 15.619 ( -15.063 -8.565 -0.946) 17.353 15.994 ( -5.755 -3.185 6.264) 9.083 16.564 ( -7.625 0.283 -1.624) 7.802 16.755 ( 10.409 2.474 -3.810) 11.357 17.344 ( 7.367 1.790 -0.603) 7.606 18.854 ( 1.786 1.418 3.752) 4.391 18.992 ( 1.346 0.066 -1.414) 1.954 19.133 ( -0.147 -2.136 2.021) 2.944 19.443 ( -2.413 0.608 0.460) 2.531 19.957 ( 6.162 1.568 0.752) 6.403 ======================= Grid point 20 (15/226) ======================= q-point: (-0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( -25.773 -4.879 -3.920) 26.522 1.563 ( -29.844 1.636 5.047) 30.312 3.238 ( -48.041 -13.918 -2.272) 50.068 4.048 ( 12.329 1.251 0.219) 12.394 4.795 ( 7.024 1.967 2.027) 7.571 4.991 ( 9.244 5.342 -5.666) 12.086 5.362 ( 1.143 0.569 -2.667) 2.957 5.603 ( 11.327 -2.445 -3.380) 12.071 5.835 ( -0.654 4.599 7.577) 8.887 6.040 ( -0.622 -2.854 1.238) 3.173 6.665 ( -1.589 -1.911 0.488) 2.533 6.850 ( -7.372 -0.692 -2.759) 7.902 8.309 ( 7.386 -0.152 0.019) 7.388 8.363 ( 21.836 0.181 -0.010) 21.837 8.395 ( 0.763 2.286 0.583) 2.479 9.096 ( -1.265 16.562 0.105) 16.611 9.474 ( -3.774 -14.764 -0.089) 15.239 10.740 ( -7.474 -0.039 0.121) 7.475 14.584 ( 2.441 -2.452 -2.993) 4.575 15.075 ( -13.208 5.664 3.379) 14.763 15.306 ( -9.858 -7.663 2.216) 12.681 15.923 ( -3.681 -0.437 2.823) 4.659 16.437 ( -5.463 -0.328 -2.202) 5.899 16.949 ( 10.338 1.801 0.254) 10.497 17.467 ( 5.826 0.966 -0.617) 5.937 18.910 ( 1.395 0.618 1.924) 2.456 19.030 ( 2.307 1.549 0.698) 2.866 19.123 ( 0.170 -2.271 2.087) 3.089 19.392 ( -3.842 -0.178 0.554) 3.886 20.070 ( 5.035 1.262 -0.760) 5.246 ======================= Grid point 21 (16/226) ======================= q-point: (-0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.702 ( -23.165 1.361 0.137) 23.206 1.075 ( -31.864 -0.320 8.964) 33.103 2.190 ( -60.570 -0.389 -3.901) 60.696 4.283 ( 12.659 -0.066 -0.285) 12.663 4.989 ( 11.164 0.317 0.467) 11.178 5.135 ( 8.576 -0.253 -5.000) 9.930 5.388 ( 2.574 0.095 -0.235) 2.587 5.721 ( 6.689 -0.002 -3.337) 7.475 5.887 ( -2.466 0.009 9.736) 10.043 5.979 ( -4.604 -0.101 -1.974) 5.010 6.640 ( -1.028 -0.017 2.314) 2.532 6.726 ( -5.272 0.088 -1.190) 5.405 8.412 ( 4.515 -0.435 -0.415) 4.554 8.447 ( 3.547 0.328 0.154) 3.565 8.706 ( 17.052 1.986 0.875) 17.189 9.153 ( -1.339 -7.650 -0.166) 7.768 9.312 ( -5.447 5.790 -1.815) 8.154 10.620 ( -6.187 -0.019 -0.797) 6.238 14.583 ( 1.264 -0.026 -3.033) 3.286 14.863 ( -14.225 0.436 2.882) 14.520 15.173 ( -4.843 -0.784 2.786) 5.642 15.880 ( -2.630 0.490 -0.539) 2.729 16.360 ( -2.287 -0.084 -0.422) 2.327 17.125 ( 8.280 -0.003 0.257) 8.284 17.552 ( 3.773 -0.026 0.181) 3.777 18.938 ( 1.024 -0.010 0.171) 1.038 19.093 ( 2.055 1.458 0.322) 2.540 19.121 ( 0.437 -1.480 2.666) 3.080 19.325 ( -3.683 -0.136 -0.640) 3.741 20.138 ( 3.474 0.143 -3.410) 4.870 ======================= Grid point 23 (17/226) ======================= q-point: ( 0.09 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.874 ( -4.686 22.896 10.035) 25.434 1.026 ( -14.400 20.821 10.504) 27.408 2.286 ( -30.541 49.286 7.041) 58.408 4.258 ( 5.855 -10.396 -2.397) 12.170 4.876 ( 1.682 -9.522 -9.567) 13.603 5.201 ( 4.676 -2.036 0.381) 5.114 5.559 ( 6.734 -7.300 13.037) 16.390 5.733 ( 1.236 -3.492 -2.214) 4.316 5.804 ( 1.385 -3.180 3.039) 4.612 6.017 ( -0.387 1.010 3.292) 3.465 6.645 ( -0.564 -0.648 2.646) 2.782 6.753 ( -4.102 4.010 1.916) 6.048 8.399 ( 2.560 -2.650 -1.848) 4.123 8.430 ( 2.015 -3.477 -1.699) 4.362 8.693 ( 8.669 -14.119 -0.522) 16.576 9.158 ( -7.024 -2.181 0.521) 7.373 9.338 ( 4.470 8.803 1.111) 9.935 10.533 ( -7.327 9.933 -10.027) 15.902 14.633 ( 1.104 0.152 2.730) 2.948 14.815 ( -8.017 10.718 -2.566) 13.628 15.114 ( -2.049 3.357 -4.099) 5.681 15.844 ( 0.102 6.020 -4.501) 7.517 16.375 ( -3.790 0.709 1.176) 4.031 17.008 ( -0.695 1.476 -10.607) 10.732 17.579 ( 1.791 -3.046 2.256) 4.192 18.920 ( 1.668 -1.209 -2.298) 3.086 19.034 ( 0.787 -0.027 -4.868) 4.931 19.103 ( -0.224 -1.826 -0.085) 1.842 19.296 ( -1.965 5.730 -2.823) 6.683 20.081 ( -0.738 -0.596 -7.381) 7.441 ======================= Grid point 24 (18/226) ======================= q-point: ( 0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.166 ( -2.791 17.850 20.331) 27.199 1.276 ( 14.447 22.930 9.076) 28.581 2.566 ( -4.620 58.819 3.482) 59.103 4.181 ( 0.107 -12.503 -1.664) 12.614 4.724 ( -1.231 -8.537 -10.340) 13.465 5.107 ( -5.932 -8.727 -3.539) 11.130 5.573 ( -2.974 -6.716 8.418) 11.172 5.681 ( -1.498 -7.998 -0.119) 8.138 5.887 ( 6.673 -0.549 4.667) 8.162 6.100 ( 4.092 1.424 6.188) 7.554 6.676 ( 2.901 0.114 1.967) 3.507 6.749 ( -1.329 3.160 2.005) 3.972 8.370 ( -1.232 -6.700 -2.885) 7.398 8.408 ( 0.999 -0.858 -1.192) 1.776 8.671 ( -0.569 -18.384 -1.086) 18.425 8.939 ( 0.943 -3.533 0.771) 3.737 9.551 ( -2.935 12.549 1.961) 13.036 10.490 ( -0.812 10.941 -10.506) 15.190 14.606 ( -7.338 0.669 -1.021) 7.438 14.874 ( 7.175 10.115 0.595) 12.415 15.199 ( 5.258 6.974 -2.008) 8.962 15.886 ( -2.237 9.080 -4.426) 10.345 16.333 ( -0.377 1.069 -0.548) 1.259 16.983 ( 0.636 1.844 -5.118) 5.477 17.577 ( 0.155 -3.361 2.535) 4.213 18.921 ( 0.745 -1.161 -1.645) 2.147 19.038 ( 2.189 -1.206 -3.310) 4.148 19.098 ( 1.658 -0.185 -1.824) 2.472 19.314 ( -1.429 6.363 -2.692) 7.055 19.964 ( -4.678 -3.126 -8.392) 10.104 ======================= Grid point 25 (19/226) ======================= q-point: ( 0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( 3.943 17.344 18.315) 25.530 1.829 ( 19.110 19.107 8.579) 28.352 3.212 ( 11.235 52.143 0.503) 53.342 4.017 ( -4.136 -11.461 0.047) 12.184 4.574 ( 0.454 -8.566 -9.668) 12.925 4.862 ( -8.564 -8.774 -5.013) 13.246 5.456 ( -5.308 -9.259 0.480) 10.683 5.570 ( -3.471 -2.836 3.739) 5.837 6.015 ( 5.518 -1.169 5.755) 8.058 6.180 ( -0.496 -0.223 5.216) 5.244 6.756 ( 4.487 -1.322 2.212) 5.174 6.802 ( 2.631 4.348 1.538) 5.309 8.219 ( -4.661 -10.399 -3.940) 12.057 8.368 ( -7.147 -10.241 0.942) 12.523 8.420 ( -0.830 -6.210 -0.691) 6.304 9.066 ( 13.853 -5.608 -1.815) 15.055 9.494 ( -16.593 12.410 1.203) 20.755 10.609 ( 7.220 9.124 -6.373) 13.266 14.475 ( -5.657 -0.800 -2.879) 6.398 15.170 ( 13.981 7.831 1.818) 16.127 15.344 ( 2.288 9.634 0.384) 9.910 15.892 ( -3.833 9.563 -5.228) 11.553 16.394 ( 5.097 2.284 0.050) 5.586 16.984 ( -0.308 -1.291 2.258) 2.619 17.547 ( -1.647 -4.110 4.315) 6.183 18.895 ( -1.353 -0.893 -2.547) 3.019 19.031 ( 1.152 -3.117 -0.809) 3.420 19.129 ( 2.382 1.510 -3.577) 4.555 19.331 ( -1.852 6.115 -3.659) 7.362 19.802 ( -2.857 -5.586 -8.132) 10.271 ======================= Grid point 26 (20/226) ======================= q-point: ( 0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.832 ( 8.110 17.210 13.132) 23.117 2.363 ( 13.505 22.912 5.017) 27.065 3.804 ( -2.022 5.711 5.492) 8.177 3.881 ( 9.035 11.551 -2.304) 14.845 4.460 ( 1.000 -4.194 -10.524) 11.373 4.634 ( -4.567 -6.168 -3.614) 8.483 5.276 ( -3.451 -8.016 -1.311) 8.825 5.559 ( -0.735 3.561 2.005) 4.152 6.120 ( -4.821 -1.459 1.237) 5.186 6.129 ( 3.294 -3.118 8.743) 9.850 6.800 ( 2.527 -3.378 1.530) 4.487 6.939 ( 5.800 5.566 0.579) 8.059 7.957 ( -7.882 -15.963 -2.076) 17.924 8.164 ( -2.864 -10.675 1.103) 11.107 8.385 ( -2.815 2.258 -0.959) 3.735 9.149 ( -6.944 2.115 0.421) 7.272 9.384 ( 2.065 1.185 -2.200) 3.242 10.792 ( 6.910 7.564 -3.178) 10.727 14.374 ( -1.807 -3.212 -3.084) 4.805 15.397 ( 3.290 3.506 0.056) 4.808 15.551 ( 8.672 14.044 2.853) 16.750 15.904 ( -0.816 8.019 -5.827) 9.946 16.526 ( 5.737 4.794 -0.292) 7.482 16.963 ( -2.667 -3.760 7.009) 8.389 17.486 ( -4.353 -4.995 7.525) 10.026 18.832 ( -2.931 0.256 -4.814) 5.642 19.014 ( 0.826 -2.934 -0.392) 3.073 19.158 ( 1.204 1.673 -2.862) 3.527 19.330 ( -1.363 4.507 -4.676) 6.636 19.684 ( 0.938 -6.748 -5.854) 8.983 ======================= Grid point 27 (21/226) ======================= q-point: ( 0.45 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.222 ( 11.011 15.679 8.282) 20.873 2.749 ( -0.423 27.739 0.778) 27.754 3.613 ( -12.861 -7.426 2.630) 15.082 4.056 ( 5.496 -9.409 0.722) 10.920 4.507 ( 4.687 4.249 1.642) 6.536 4.595 ( 7.412 -2.040 -7.625) 10.828 5.205 ( 1.187 1.748 -3.970) 4.497 5.613 ( 0.855 4.562 -0.773) 4.706 5.921 ( -8.222 -10.265 -1.097) 13.198 6.290 ( 7.391 3.580 9.028) 12.204 6.802 ( 2.418 -4.912 -0.896) 5.547 7.076 ( 3.414 3.135 0.687) 4.685 7.638 ( -11.893 -11.727 -0.999) 16.732 8.062 ( -0.173 -7.037 0.950) 7.103 8.375 ( -1.329 5.051 0.889) 5.298 8.954 ( -17.850 7.522 1.298) 19.414 9.496 ( 13.339 -8.624 -3.217) 16.207 10.941 ( 4.128 5.911 -1.587) 7.382 14.317 ( 1.799 -4.983 -2.570) 5.888 15.445 ( -3.985 8.371 0.883) 9.314 15.820 ( 7.312 7.585 -0.588) 10.552 15.977 ( 4.772 7.162 -3.615) 9.334 16.667 ( 4.377 6.236 -0.579) 7.641 16.884 ( -5.663 -6.019 6.226) 10.347 17.383 ( -7.674 -5.536 10.250) 13.950 18.765 ( -2.011 1.866 -5.513) 6.158 18.997 ( 0.831 -2.869 -0.738) 3.076 19.170 ( 0.029 1.352 -1.553) 2.059 19.337 ( 0.991 3.377 -4.047) 5.363 19.632 ( 3.309 -6.289 -3.099) 7.753 ======================= Grid point 28 (22/226) ======================= q-point: ( 0.55 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.561 ( 5.905 11.827 2.654) 13.483 2.909 ( -11.711 27.628 0.057) 30.008 3.271 ( -16.332 -7.637 1.329) 18.078 4.128 ( 12.643 -6.291 -0.009) 14.122 4.575 ( -1.296 -7.618 -1.854) 7.947 4.673 ( 8.683 0.374 4.905) 9.980 5.304 ( 5.900 7.320 -3.488) 10.028 5.627 ( -0.565 -6.267 -2.076) 6.626 5.696 ( -1.494 -7.384 -2.909) 8.076 6.522 ( 7.111 4.924 5.393) 10.193 6.762 ( -0.128 -7.622 -6.059) 9.738 7.060 ( -5.438 -4.141 5.983) 9.084 7.390 ( -7.271 1.727 -2.782) 7.975 8.009 ( -0.538 -3.062 -0.358) 3.130 8.472 ( 3.563 6.116 3.287) 7.804 8.765 ( -12.907 8.791 1.613) 15.700 9.588 ( 10.934 -12.023 -2.706) 16.475 11.025 ( 0.706 4.110 -0.926) 4.272 14.310 ( 4.876 -5.383 -1.917) 7.511 15.447 ( -7.299 10.790 1.122) 13.075 15.942 ( 3.674 3.154 -3.036) 5.715 16.139 ( 5.727 5.904 -0.822) 8.266 16.692 ( -8.541 -7.962 6.716) 13.470 16.815 ( 3.128 6.056 -4.119) 7.964 17.235 ( -9.059 -5.348 8.819) 13.727 18.751 ( 0.408 2.824 -2.654) 3.897 18.976 ( 0.752 -2.719 -1.537) 3.213 19.169 ( -0.781 0.310 0.598) 1.031 19.386 ( 2.733 3.589 -2.980) 5.406 19.636 ( 5.336 -4.962 -1.315) 7.404 ======================= Grid point 29 (23/226) ======================= q-point: (-0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.525 ( -17.629 -0.418 -3.165) 17.915 2.812 ( -25.084 20.793 0.939) 32.596 3.225 ( 10.281 3.738 4.506) 11.831 4.311 ( 9.800 -4.945 -4.575) 11.892 4.396 ( -2.810 -6.493 1.723) 7.282 4.885 ( 12.783 -2.199 2.390) 13.189 5.416 ( 0.220 3.616 0.153) 3.626 5.496 ( -0.269 -10.098 0.509) 10.114 5.714 ( 4.437 1.507 -1.759) 5.005 6.394 ( -22.129 -4.110 -5.678) 23.213 6.674 ( 3.032 -4.020 2.155) 5.477 7.124 ( 8.537 -1.199 4.394) 9.676 7.345 ( 0.167 5.498 -3.357) 6.444 7.996 ( 2.420 -1.513 -0.434) 2.887 8.511 ( -4.545 1.347 -0.128) 4.743 8.821 ( 2.355 15.304 4.248) 16.057 9.595 ( 6.466 -13.792 -2.097) 15.376 11.035 ( -2.725 2.356 -0.685) 3.667 14.352 ( 6.714 -4.356 -1.746) 8.192 15.426 ( -8.220 10.479 1.574) 13.411 15.971 ( -2.227 0.852 -2.524) 3.472 16.218 ( -2.649 -0.349 2.614) 3.738 16.513 ( -2.301 -5.194 1.420) 5.855 16.862 ( -5.107 3.942 -1.445) 6.612 17.133 ( 0.538 -2.486 3.374) 4.226 18.796 ( 1.684 2.912 1.103) 3.540 18.955 ( 0.974 -2.009 -2.197) 3.132 19.157 ( -1.204 -0.951 2.092) 2.594 19.446 ( 1.982 2.160 -1.818) 3.450 19.707 ( 7.689 -1.936 -1.049) 7.998 ======================= Grid point 30 (24/226) ======================= q-point: (-0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.077 ( -26.560 -3.723 -2.643) 26.950 2.564 ( -28.091 15.268 2.806) 32.095 3.493 ( 13.106 2.078 3.029) 13.611 4.142 ( -4.285 -12.867 1.369) 13.630 4.577 ( 13.274 1.867 -4.445) 14.123 5.012 ( 5.377 -6.870 -8.510) 12.187 5.379 ( -6.987 3.794 -2.497) 8.334 5.417 ( -7.125 1.350 8.801) 11.404 5.793 ( 2.171 3.489 0.371) 4.126 6.047 ( -6.420 -4.436 1.171) 7.891 6.685 ( 0.730 -2.530 2.599) 3.700 7.119 ( -6.159 0.015 -2.872) 6.796 7.584 ( 19.969 2.724 0.747) 20.168 8.057 ( 6.238 -1.246 -0.435) 6.376 8.445 ( -3.399 1.061 -0.726) 3.634 9.046 ( 4.045 11.767 2.069) 12.613 9.524 ( 1.512 -11.013 -1.693) 11.245 10.975 ( -5.525 0.873 -0.553) 5.621 14.423 ( 6.472 -2.282 -2.333) 7.248 15.393 ( -7.415 7.616 2.477) 10.914 15.798 ( -14.205 -4.436 -1.244) 14.933 16.112 ( -6.960 -2.165 5.025) 8.853 16.579 ( 9.333 0.794 -1.491) 9.485 16.723 ( -10.469 0.774 -0.688) 10.520 17.224 ( 7.589 0.064 0.601) 7.613 18.863 ( 1.431 1.935 3.034) 3.873 18.954 ( 2.074 -0.291 -2.253) 3.076 19.136 ( -1.095 -1.821 2.710) 3.444 19.465 ( -0.025 0.018 -1.041) 1.041 19.833 ( 8.343 0.607 -2.305) 8.677 ======================= Grid point 31 (25/226) ======================= q-point: (-0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( -27.435 -0.343 -0.555) 27.443 2.166 ( -31.696 3.522 5.273) 32.324 3.680 ( -1.724 -1.427 1.878) 2.921 3.934 ( -7.860 -2.629 -0.228) 8.291 4.747 ( 8.181 -3.294 -3.690) 9.560 4.848 ( -4.494 3.408 -9.201) 10.792 5.372 ( -2.510 -0.812 4.860) 5.529 5.408 ( 7.408 3.538 -5.461) 9.859 5.892 ( 2.752 1.302 7.023) 7.655 6.017 ( 1.371 -2.250 3.321) 4.239 6.686 ( -0.736 -0.414 3.324) 3.429 6.974 ( -8.441 0.366 -2.010) 8.685 7.986 ( 23.124 1.905 0.386) 23.206 8.167 ( 8.086 -1.113 -0.542) 8.180 8.412 ( -0.784 0.078 -0.708) 1.059 9.140 ( 2.450 -8.387 -0.202) 8.740 9.468 ( -2.812 7.493 -1.978) 8.244 10.865 ( -7.203 -0.140 -0.507) 7.222 14.493 ( 4.462 0.484 -3.320) 5.583 15.347 ( -5.557 1.385 2.974) 6.453 15.466 ( -18.698 -2.816 2.256) 19.043 16.017 ( -5.740 1.111 0.726) 5.891 16.550 ( -8.645 0.106 -1.701) 8.811 16.769 ( 11.233 0.010 1.356) 11.314 17.358 ( 7.430 -0.352 0.675) 7.468 18.901 ( 0.969 -0.186 0.651) 1.182 19.004 ( 3.030 1.810 0.089) 3.531 19.119 ( -0.563 -1.797 3.140) 3.661 19.437 ( -1.998 -0.699 -1.294) 2.481 19.956 ( 7.031 0.910 -4.328) 8.306 ======================= Grid point 32 (26/226) ======================= q-point: (-0.09 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( -24.738 5.268 4.152) 25.631 1.651 ( -31.264 -3.123 6.124) 32.011 3.198 ( -47.899 13.826 -0.667) 49.859 4.042 ( 12.624 -1.507 -0.537) 12.724 4.822 ( 8.252 -0.891 0.790) 8.337 4.900 ( 10.305 -3.741 -9.177) 14.297 5.368 ( 0.614 -1.169 4.344) 4.540 5.570 ( 9.739 3.701 -5.999) 12.023 5.927 ( -0.725 -7.214 8.681) 11.311 6.044 ( -1.008 3.028 0.882) 3.311 6.690 ( -1.817 0.842 4.490) 4.916 6.839 ( -7.226 1.376 -0.104) 7.356 8.287 ( 8.136 -0.803 -1.571) 8.325 8.376 ( 10.638 0.814 -1.825) 10.824 8.433 ( 12.304 0.167 2.608) 12.579 9.001 ( -0.225 -18.321 -1.192) 18.361 9.519 ( -5.185 14.784 -2.709) 15.899 10.732 ( -7.452 0.220 -1.242) 7.558 14.549 ( 2.426 3.363 -3.614) 5.500 15.130 ( -14.151 -6.665 3.477) 16.024 15.299 ( -8.408 5.864 2.369) 10.521 15.938 ( -4.539 1.576 -3.279) 5.818 16.428 ( -5.199 0.602 0.680) 5.278 16.954 ( 10.053 -1.971 0.752) 10.272 17.470 ( 5.813 -1.248 1.374) 6.102 18.913 ( 1.290 -0.752 -0.941) 1.765 19.056 ( 1.926 -1.017 -0.170) 2.185 19.128 ( 0.339 0.494 2.867) 2.929 19.375 ( -3.293 0.089 -2.632) 4.217 20.037 ( 5.137 0.620 -5.995) 7.920 ======================= Grid point 34 (27/226) ======================= q-point: ( 0.09 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( -13.551 19.123 10.824) 25.816 1.542 ( -14.752 22.424 4.490) 27.214 3.283 ( -32.643 31.943 2.730) 45.754 4.029 ( 6.492 -9.653 -1.594) 11.742 4.722 ( 2.343 -2.010 -5.468) 6.279 5.058 ( 9.483 -2.720 1.419) 9.967 5.479 ( 4.346 -2.201 7.840) 9.231 5.593 ( 7.579 -6.469 -3.160) 10.453 5.776 ( -0.430 -3.135 0.857) 3.278 6.031 ( -2.201 -3.665 0.914) 4.371 6.680 ( -2.986 -1.843 1.938) 4.008 6.901 ( -5.611 5.660 3.091) 8.548 8.287 ( 3.653 -5.934 -2.403) 7.372 8.330 ( 6.218 -10.007 -2.631) 12.072 8.421 ( 5.866 -7.764 2.366) 10.014 9.086 ( 15.757 9.575 -1.168) 18.475 9.480 ( -13.488 -2.649 0.575) 13.757 10.700 ( -6.202 8.249 -4.327) 11.190 14.627 ( 0.051 -2.170 2.025) 2.969 15.014 ( -0.903 12.142 -3.782) 12.749 15.262 ( -15.192 4.489 -2.708) 16.071 15.869 ( 0.139 4.673 -3.203) 5.667 16.473 ( -3.889 3.521 1.830) 5.556 16.945 ( 2.734 -3.945 -0.162) 4.802 17.506 ( 4.177 -4.906 3.751) 7.456 18.848 ( 2.210 -1.298 -5.243) 5.836 19.012 ( -0.070 -0.188 -1.287) 1.302 19.094 ( -1.402 -2.142 -1.118) 2.793 19.368 ( -1.765 4.963 -2.236) 5.722 20.012 ( 2.607 -1.786 -6.201) 6.960 ======================= Grid point 35 (28/226) ======================= q-point: ( 0.18 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( -2.133 21.147 12.001) 24.408 1.587 ( -11.576 24.656 8.060) 28.406 3.272 ( -12.803 42.825 2.601) 44.773 4.003 ( 4.299 -12.399 -1.543) 13.214 4.659 ( -3.642 -1.274 -6.388) 7.463 5.047 ( -1.040 -11.916 -2.104) 12.145 5.567 ( 3.241 -2.304 5.502) 6.788 5.647 ( -1.713 -4.170 -0.002) 4.508 5.766 ( 7.344 -4.297 4.295) 9.531 6.018 ( 5.317 -3.551 1.015) 6.474 6.653 ( 0.547 -1.321 1.721) 2.237 6.865 ( -5.909 5.390 1.452) 8.129 8.260 ( 2.696 -10.014 -2.821) 10.747 8.310 ( 6.895 -10.658 -3.455) 13.155 8.463 ( 2.814 -3.853 2.380) 5.332 9.055 ( -13.736 -7.294 1.660) 15.640 9.580 ( 12.653 12.588 0.378) 17.852 10.630 ( -8.095 8.707 -6.254) 13.433 14.651 ( 3.112 -1.406 1.837) 3.878 15.003 ( -13.171 8.329 -3.584) 15.991 15.192 ( 4.120 11.758 -3.165) 12.855 15.950 ( 2.622 8.096 -1.588) 8.657 16.417 ( -6.514 3.154 -0.377) 7.247 16.951 ( 1.877 -2.065 0.973) 2.956 17.536 ( 2.334 -4.936 4.603) 7.142 18.854 ( 3.043 -0.879 -5.251) 6.132 19.001 ( -0.330 0.391 -2.595) 2.645 19.062 ( 0.778 -2.023 -0.070) 2.169 19.382 ( -1.271 5.221 -1.783) 5.661 19.948 ( -2.243 -4.108 -7.696) 9.007 ======================= Grid point 36 (29/226) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.729 ( 1.267 15.479 16.283) 22.502 1.767 ( 5.461 20.675 5.306) 22.033 3.656 ( 1.480 46.458 0.716) 46.487 3.923 ( 1.239 -11.779 -0.449) 11.852 4.522 ( -6.498 0.607 -6.914) 9.508 4.846 ( -4.774 -12.652 -3.618) 13.998 5.476 ( -7.464 -8.628 -0.962) 11.449 5.596 ( -0.313 -0.560 2.137) 2.232 5.915 ( 8.021 -4.345 8.931) 12.766 6.118 ( 7.465 -3.875 1.139) 8.487 6.685 ( 3.138 -1.104 1.137) 3.515 6.850 ( -2.267 5.464 1.048) 6.008 8.130 ( -1.177 -15.487 -3.995) 16.037 8.277 ( 2.253 -14.302 -1.287) 14.535 8.439 ( -3.034 0.717 1.278) 3.369 8.872 ( 0.578 -3.981 0.344) 4.038 9.818 ( -2.695 11.649 2.208) 12.159 10.583 ( -0.398 8.177 -6.457) 10.426 14.607 ( -8.981 0.518 -0.823) 9.034 14.997 ( 9.186 2.328 -2.650) 9.840 15.394 ( 4.447 14.443 0.008) 15.112 16.054 ( -2.210 11.373 -2.004) 11.758 16.362 ( -0.683 2.645 -1.092) 2.942 16.977 ( 1.485 -2.335 4.276) 5.093 17.545 ( 0.543 -4.379 6.342) 7.726 18.862 ( 2.012 -1.012 -4.921) 5.412 18.976 ( 0.151 -2.247 -1.453) 2.680 19.080 ( 2.435 0.731 -2.046) 3.263 19.400 ( -1.370 4.912 -2.120) 5.522 19.784 ( -5.421 -5.258 -7.876) 10.912 ======================= Grid point 37 (30/226) ======================= q-point: ( 0.36 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.997 ( 2.378 17.388 12.651) 21.634 2.212 ( 21.868 12.734 4.990) 25.793 3.813 ( -1.387 -11.177 2.570) 11.552 4.081 ( 0.255 24.722 -1.071) 24.746 4.431 ( -4.816 15.287 -8.364) 18.078 4.631 ( -4.728 -8.751 -3.773) 10.638 5.262 ( -5.680 -8.827 0.313) 10.501 5.599 ( -0.003 1.940 -0.597) 2.029 6.057 ( 7.107 -3.675 11.620) 14.108 6.137 ( -0.452 -6.376 -1.452) 6.554 6.726 ( 2.695 -2.291 -0.479) 3.569 6.920 ( 2.954 5.517 1.511) 6.437 7.889 ( -4.011 -18.159 -1.148) 18.632 8.111 ( -3.321 -11.136 -1.672) 11.740 8.441 ( -0.988 3.175 0.674) 3.393 8.937 ( 10.540 -5.212 -1.864) 11.905 9.739 ( -18.174 9.991 2.262) 20.862 10.711 ( 8.064 6.971 -4.044) 11.401 14.437 ( -8.864 -0.265 -1.855) 9.060 15.208 ( 14.346 -1.005 -2.418) 14.583 15.618 ( 4.586 13.959 2.574) 14.917 16.056 ( -7.437 10.991 -3.083) 13.624 16.456 ( 6.886 4.727 -1.598) 8.504 16.988 ( -0.383 -4.133 6.003) 7.298 17.540 ( -1.667 -4.187 9.717) 10.711 18.838 ( -0.626 -0.062 -5.921) 5.954 18.952 ( 1.225 -3.710 -0.682) 3.966 19.122 ( 2.555 1.841 -3.326) 4.580 19.397 ( -2.828 4.734 -3.953) 6.785 19.609 ( -3.261 -6.005 -4.659) 8.271 ======================= Grid point 38 (31/226) ======================= q-point: ( 0.45 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.294 ( 5.691 16.454 8.494) 19.372 2.759 ( 22.803 12.790 3.046) 26.322 3.685 ( -3.518 -10.364 3.764) 11.574 4.058 ( -8.010 -1.874 -3.375) 8.892 4.510 ( -0.679 0.040 -4.494) 4.545 4.544 ( -4.157 16.547 -1.236) 17.106 5.173 ( 1.617 -0.082 -1.353) 2.110 5.625 ( 0.991 1.574 -2.099) 2.804 5.947 ( -8.912 -11.653 -4.122) 15.238 6.238 ( 8.026 0.640 12.277) 14.681 6.718 ( 0.987 -3.539 -2.654) 4.532 7.038 ( 4.184 2.307 0.642) 4.821 7.678 ( -4.251 -9.885 1.020) 10.808 7.972 ( 0.527 -8.942 -1.193) 9.036 8.458 ( -1.764 4.742 0.749) 5.115 9.062 ( 11.023 -6.171 -2.026) 12.794 9.494 ( -19.907 6.633 1.664) 21.049 10.891 ( 7.116 5.282 -2.022) 9.090 14.298 ( -4.885 -1.615 -1.557) 5.376 15.408 ( 11.086 -0.571 -1.580) 11.213 15.843 ( 4.320 11.499 2.921) 12.626 16.024 ( -4.486 8.486 -3.177) 10.111 16.623 ( 6.902 6.843 -3.450) 10.314 16.934 ( -3.723 -6.656 5.088) 9.168 17.505 ( -5.017 -5.098 12.668) 14.547 18.785 ( -1.750 2.107 -7.331) 7.825 18.935 ( 1.523 -4.190 -0.450) 4.481 19.160 ( 1.668 2.022 -3.214) 4.147 19.365 ( -2.232 4.513 -4.679) 6.874 19.519 ( 0.839 -6.106 -0.125) 6.164 ======================= Grid point 39 (32/226) ======================= q-point: ( 0.55 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.595 ( 6.689 14.221 4.782) 16.427 3.173 ( 6.143 10.032 0.852) 11.794 3.526 ( -8.498 -1.036 0.409) 8.571 3.917 ( 0.069 -3.576 0.449) 3.605 4.510 ( -0.696 1.908 -4.229) 4.692 4.592 ( 2.543 -1.170 5.240) 5.941 5.272 ( 5.285 7.997 -2.313) 9.861 5.552 ( -5.658 -14.163 -4.035) 15.776 5.677 ( -3.607 -2.691 -3.559) 5.738 6.461 ( 8.024 1.959 9.770) 12.794 6.667 ( 0.074 -3.953 -5.126) 6.474 7.079 ( 0.880 -3.669 0.093) 3.774 7.541 ( -7.622 1.420 0.381) 7.762 7.944 ( 3.732 -5.601 -0.074) 6.731 8.504 ( 0.837 5.684 1.374) 5.907 9.101 ( -9.043 4.665 2.433) 10.462 9.299 ( 1.726 -6.729 -2.440) 7.363 11.020 ( 3.814 3.445 -0.930) 5.223 14.227 ( -0.539 -1.930 -0.972) 2.227 15.551 ( 5.074 2.160 -0.064) 5.515 15.949 ( -2.196 7.080 -1.822) 7.633 16.105 ( 5.389 6.384 0.654) 8.380 16.769 ( 3.717 3.596 -6.446) 8.264 16.789 ( -5.937 -5.293 5.380) 9.603 17.398 ( -9.061 -6.083 10.779) 15.339 18.760 ( 0.001 3.992 -5.421) 6.732 18.916 ( 1.389 -4.132 -0.457) 4.383 19.182 ( 0.490 1.328 -1.416) 2.002 19.379 ( 0.745 4.600 -2.691) 5.381 19.500 ( 3.409 -5.416 0.671) 6.435 ======================= Grid point 40 (33/226) ======================= q-point: (-0.36 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.765 ( -7.214 7.797 -0.930) 10.663 3.140 ( -0.762 -6.163 3.071) 6.928 3.444 ( -17.447 22.285 0.220) 28.303 4.019 ( 12.882 -6.548 -1.186) 14.499 4.433 ( -5.948 -2.721 0.826) 6.593 4.660 ( 8.351 -8.071 0.294) 11.617 5.367 ( 3.514 -6.769 -0.877) 7.678 5.442 ( 4.018 6.379 1.939) 7.784 5.636 ( 1.991 -0.187 -3.360) 3.910 6.550 ( -4.766 -4.634 -6.678) 9.422 6.628 ( 2.353 1.223 3.862) 4.685 7.037 ( 1.092 -5.353 4.073) 6.815 7.460 ( -6.299 6.256 -0.654) 8.902 7.944 ( 1.490 -3.030 -0.605) 3.430 8.566 ( -0.807 0.986 0.478) 1.361 8.995 ( -7.481 8.146 3.134) 11.495 9.336 ( 9.382 -7.069 -2.773) 12.070 11.075 ( 0.122 1.567 -0.372) 1.615 14.232 ( 3.223 -0.850 -0.778) 3.423 15.605 ( -2.406 3.267 0.590) 4.100 15.977 ( 0.896 3.116 -1.596) 3.614 16.237 ( 2.611 3.538 -0.054) 4.397 16.571 ( -8.709 -7.044 2.350) 11.445 16.889 ( 3.854 4.353 -2.828) 6.465 17.217 ( -9.989 -5.038 5.479) 12.457 18.801 ( 1.981 4.310 -1.305) 4.920 18.897 ( 1.324 -3.676 -0.742) 3.977 19.183 ( -0.910 0.096 0.675) 1.137 19.421 ( 1.386 0.901 -0.549) 1.742 19.555 ( 6.919 -0.514 -1.248) 7.049 ======================= Grid point 41 (34/226) ======================= q-point: (-0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.477 ( -23.486 0.124 -1.860) 23.560 3.126 ( -15.135 4.271 0.628) 15.739 3.374 ( -0.165 3.778 4.707) 6.038 4.038 ( 3.017 -10.198 -3.261) 11.123 4.403 ( 3.439 1.508 0.952) 3.874 4.768 ( 12.398 -2.350 -5.343) 13.703 5.427 ( -1.428 2.656 -3.040) 4.281 5.528 ( 5.316 -0.144 8.766) 10.253 5.743 ( 6.567 2.920 0.018) 7.187 6.268 ( -18.856 0.280 -5.400) 19.616 6.674 ( 0.829 -0.758 4.564) 4.700 7.095 ( 6.761 -4.892 1.576) 8.492 7.450 ( -0.006 5.580 0.400) 5.594 7.953 ( 3.446 -1.981 -0.285) 3.985 8.499 ( -4.214 -1.756 -1.318) 4.751 9.013 ( 3.110 -5.509 0.622) 6.357 9.442 ( 4.898 7.239 -1.861) 8.936 11.053 ( -3.214 -0.126 -0.056) 3.217 14.304 ( 5.368 1.323 -1.351) 5.691 15.546 ( -5.755 -1.385 0.862) 5.982 15.968 ( -6.208 1.840 -1.448) 6.635 16.222 ( -4.776 -1.735 2.136) 5.512 16.476 ( 1.663 0.643 0.576) 1.874 16.893 ( -7.303 -0.590 0.581) 7.349 17.116 ( 2.913 -1.102 0.308) 3.129 18.875 ( 0.619 0.007 1.665) 1.777 18.891 ( 3.508 0.856 -1.484) 3.904 19.163 ( -1.681 -0.856 1.854) 2.645 19.438 ( 1.419 -1.674 -0.369) 2.225 19.688 ( 7.970 2.590 -2.921) 8.875 ======================= Grid point 42 (35/226) ======================= q-point: (-0.18 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.052 ( -26.172 2.678 0.448) 26.313 2.691 ( -28.429 -9.012 2.116) 29.898 3.529 ( 11.326 -2.342 2.339) 11.800 4.042 ( 0.825 5.901 0.312) 5.967 4.499 ( 8.473 -3.616 -2.037) 9.434 4.914 ( 3.900 6.021 -9.485) 11.892 5.369 ( -2.118 0.959 -5.014) 5.527 5.555 ( -12.301 0.815 5.665) 13.567 5.853 ( 5.327 0.111 2.637) 5.945 6.039 ( -5.287 1.432 5.360) 7.663 6.712 ( 0.613 0.716 4.769) 4.862 7.089 ( -4.119 -0.703 -0.982) 4.293 7.641 ( 17.632 0.645 1.056) 17.676 8.027 ( 6.575 -0.670 0.272) 6.615 8.413 ( -1.987 -2.426 -2.380) 3.937 8.955 ( 2.765 -15.325 -1.058) 15.608 9.602 ( 0.965 15.566 -2.531) 15.800 10.970 ( -5.658 -1.125 0.158) 5.771 14.413 ( 5.297 4.061 -2.538) 7.141 15.401 ( -5.813 -9.049 1.677) 10.886 15.795 ( -14.737 4.171 0.893) 15.342 16.137 ( -6.006 2.093 -1.242) 6.480 16.579 ( 6.988 -0.080 0.305) 6.996 16.729 ( -8.507 -1.472 2.703) 9.046 17.219 ( 8.012 -1.092 0.563) 8.105 18.870 ( 1.309 -2.133 -1.364) 2.850 18.975 ( 2.706 2.299 1.398) 3.816 19.140 ( -1.183 -0.760 2.480) 2.851 19.432 ( 0.235 -1.457 -1.366) 2.011 19.823 ( 7.047 2.412 -4.501) 8.702 ======================= Grid point 43 (36/226) ======================= q-point: (-0.09 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.677 ( -24.787 7.893 4.393) 26.381 2.112 ( -27.226 -10.946 2.480) 29.449 3.692 ( 7.479 -1.854 0.992) 7.769 4.091 ( -13.314 17.189 1.982) 21.832 4.590 ( 10.064 -6.133 -4.590) 12.648 4.832 ( -8.223 5.450 -7.331) 12.291 5.401 ( 7.000 0.899 -4.191) 8.209 5.414 ( -3.656 -0.354 3.016) 4.753 5.897 ( 0.235 -7.235 6.580) 9.783 6.077 ( 1.002 2.407 3.465) 4.336 6.755 ( -0.771 1.696 5.301) 5.619 6.983 ( -7.295 1.456 0.460) 7.453 8.001 ( 22.868 -2.344 -0.580) 22.995 8.162 ( 8.925 0.442 1.905) 9.137 8.355 ( 0.163 -3.362 -2.827) 4.396 8.823 ( 1.058 -14.194 -2.101) 14.388 9.718 ( -3.289 13.629 -2.985) 14.335 10.853 ( -6.782 -0.250 -0.081) 6.787 14.526 ( 3.606 6.382 -3.282) 8.032 15.203 ( -6.062 -11.536 2.019) 13.187 15.611 ( -14.618 7.793 2.439) 16.744 16.033 ( -6.857 2.821 -5.608) 9.296 16.543 ( -6.565 0.514 0.358) 6.595 16.777 ( 8.917 -3.164 5.329) 10.860 17.345 ( 7.608 -2.285 1.602) 8.104 18.865 ( 1.657 -1.896 -2.574) 3.601 19.023 ( 1.035 -0.656 0.850) 1.492 19.145 ( 0.032 0.553 2.002) 2.077 19.403 ( -1.397 0.366 -2.627) 2.998 19.920 ( 5.595 1.350 -5.537) 7.987 ======================= Grid point 45 (37/226) ======================= q-point: ( 0.09 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.810 ( -16.741 19.224 7.795) 26.657 1.979 ( -7.610 21.441 3.779) 23.063 3.666 ( 6.780 -8.840 0.398) 11.148 4.080 ( -19.133 3.006 -4.444) 19.871 4.792 ( 3.749 11.035 2.582) 11.938 4.885 ( -0.831 4.526 -2.934) 5.457 5.342 ( 8.184 -9.018 -2.663) 12.466 5.465 ( 0.567 0.490 4.521) 4.583 5.760 ( -0.161 -2.490 0.843) 2.634 6.051 ( -4.820 -4.293 1.304) 6.585 6.726 ( -4.550 -3.723 1.028) 5.968 7.071 ( -4.528 6.329 3.184) 8.408 7.976 ( 13.274 -19.997 1.290) 24.036 8.151 ( 3.383 -6.060 -2.859) 7.506 8.376 ( 2.367 4.329 0.920) 5.019 8.869 ( 17.296 7.593 -3.567) 19.223 9.682 ( -13.033 -4.432 0.984) 13.801 10.848 ( -4.201 6.908 -1.988) 8.325 14.608 ( -1.243 -5.897 1.293) 6.164 15.072 ( 3.272 11.361 -4.311) 12.584 15.621 ( -18.213 8.036 -0.915) 19.928 15.905 ( -1.661 4.116 -3.554) 5.686 16.588 ( -3.161 5.423 1.338) 6.418 16.847 ( 4.734 -5.993 5.931) 9.670 17.384 ( 6.345 -6.248 4.348) 9.909 18.777 ( 1.362 -0.404 -5.376) 5.561 19.012 ( -0.197 -0.161 0.839) 0.877 19.096 ( -2.280 -1.882 -2.160) 3.662 19.420 ( -0.629 3.848 -2.420) 4.589 19.902 ( 3.394 -2.854 -4.877) 6.591 ======================= Grid point 46 (38/226) ======================= q-point: ( 0.18 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.840 ( -10.343 20.504 11.367) 25.624 2.098 ( -12.382 28.479 2.852) 31.185 3.667 ( 1.504 -1.414 1.281) 2.430 3.874 ( -4.849 3.239 -3.424) 6.762 4.826 ( -10.792 16.349 -3.403) 19.884 4.896 ( 2.672 -13.321 -0.826) 13.611 5.473 ( 16.079 -6.664 5.071) 18.129 5.519 ( 2.729 0.408 -0.098) 2.761 5.737 ( -2.855 0.450 -0.812) 3.002 5.930 ( -2.205 -6.769 1.774) 7.336 6.645 ( -1.187 -2.848 0.669) 3.158 7.045 ( -6.717 5.380 1.709) 8.774 7.971 ( 8.898 -19.224 0.233) 21.185 8.129 ( 3.635 -6.946 -3.077) 8.422 8.456 ( 1.326 3.395 1.743) 4.040 9.155 ( 1.112 -2.877 0.336) 3.103 9.489 ( 3.170 4.802 -0.722) 5.799 10.815 ( -6.794 7.232 -3.008) 10.369 14.562 ( 3.051 -5.244 0.131) 6.068 15.228 ( -0.322 9.034 -2.913) 9.497 15.375 ( -15.790 13.656 -2.674) 21.047 15.964 ( 2.880 6.801 -0.896) 7.440 16.572 ( -6.093 4.882 0.750) 7.844 16.888 ( 3.421 -4.562 4.555) 7.298 17.449 ( 5.093 -6.314 6.480) 10.382 18.771 ( 1.971 0.361 -6.250) 6.563 19.013 ( -1.313 1.248 -1.319) 2.241 19.031 ( -0.219 -3.009 -0.135) 3.020 19.434 ( -0.719 3.866 -2.058) 4.438 19.870 ( 0.927 -5.026 -6.524) 8.288 ======================= Grid point 47 (39/226) ======================= q-point: ( 0.27 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.939 ( -7.156 16.206 7.945) 19.416 2.142 ( -11.748 22.625 6.500) 26.309 3.714 ( 6.345 -11.193 2.075) 13.032 3.963 ( 4.240 20.353 -2.458) 20.935 4.736 ( -2.840 -13.973 0.154) 14.260 4.765 ( -10.686 15.897 -6.981) 20.387 5.508 ( -3.307 -0.903 -6.562) 7.403 5.655 ( -6.087 1.228 3.482) 7.119 5.730 ( 14.690 -6.973 8.648) 18.418 5.919 ( 7.226 -6.257 1.399) 9.661 6.637 ( 1.880 -1.319 0.701) 2.401 6.988 ( -6.062 5.192 0.661) 8.009 7.895 ( 4.423 -19.654 -1.529) 20.204 8.101 ( 3.515 -8.586 -2.591) 9.632 8.504 ( -0.945 2.852 2.367) 3.825 8.926 ( -10.718 -7.477 1.371) 13.140 9.810 ( 14.854 10.563 -0.720) 18.241 10.722 ( -8.935 6.142 -3.506) 11.395 14.614 ( 6.760 -2.805 -0.701) 7.352 15.040 ( -13.702 1.763 -3.256) 14.193 15.500 ( 1.653 18.626 -0.410) 18.704 16.107 ( 5.200 8.568 -0.961) 10.069 16.486 ( -8.603 3.698 0.210) 9.366 16.933 ( 3.150 -3.524 4.460) 6.499 17.510 ( 3.460 -4.843 8.709) 10.549 18.778 ( 2.522 0.303 -6.700) 7.166 18.963 ( -1.362 -2.345 -0.998) 2.890 19.046 ( 1.442 0.952 -0.483) 1.794 19.447 ( -0.659 3.090 -1.585) 3.535 19.760 ( -2.737 -5.637 -7.555) 9.815 ======================= Grid point 48 (40/226) ======================= q-point: ( 0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.044 ( 4.725 7.809 4.149) 10.026 2.282 ( -2.365 20.283 8.276) 22.034 3.686 ( 3.408 -12.631 2.121) 13.254 4.188 ( 0.715 8.142 -1.511) 8.312 4.564 ( -1.146 -11.647 -2.263) 11.920 4.794 ( -5.914 30.654 -6.277) 31.844 5.337 ( -10.797 -1.253 -2.323) 11.115 5.603 ( -1.452 -0.141 -1.268) 1.933 5.934 ( 10.754 -7.109 11.523) 17.290 6.005 ( 6.545 -4.500 -0.046) 7.943 6.669 ( 2.086 -0.648 -0.224) 2.196 6.970 ( -1.823 4.594 0.712) 4.994 7.718 ( 0.006 -20.220 -0.933) 20.242 8.027 ( -0.208 -9.614 -2.619) 9.967 8.508 ( -2.552 3.673 1.548) 4.733 8.790 ( 0.950 -4.357 -0.139) 4.462 10.041 ( -2.047 8.263 1.747) 8.690 10.658 ( 0.042 5.221 -3.807) 6.462 14.610 ( -8.506 0.330 -0.189) 8.515 14.950 ( 8.277 -1.719 -3.971) 9.340 15.706 ( 2.588 14.567 1.572) 14.878 16.259 ( -1.170 10.362 -1.178) 10.494 16.403 ( -0.815 2.548 -1.035) 2.868 16.963 ( 1.650 -4.293 3.981) 6.083 17.567 ( 1.215 -3.514 11.073) 11.681 18.780 ( 2.002 0.122 -7.389) 7.657 18.917 ( -0.704 -2.824 0.003) 2.910 19.083 ( 2.042 1.637 -1.713) 3.128 19.450 ( -1.135 2.353 -1.791) 3.168 19.602 ( -4.486 -4.711 -5.838) 8.741 ======================= Grid point 49 (41/226) ======================= q-point: ( 0.45 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.320 ( 15.514 4.528 3.929) 16.632 2.546 ( 8.745 16.173 5.168) 19.099 3.608 ( 0.548 -12.636 1.980) 12.802 4.143 ( -6.466 0.578 -2.152) 6.839 4.465 ( 0.916 -5.035 -0.814) 5.182 4.981 ( -12.568 31.724 -6.689) 34.772 5.149 ( -2.948 -3.402 1.274) 4.678 5.582 ( 1.173 -2.636 -2.490) 3.811 5.933 ( -3.316 -8.947 -4.303) 10.467 6.167 ( 9.242 -0.178 13.803) 16.612 6.674 ( 0.012 -0.918 -2.273) 2.451 7.000 ( 1.366 -0.365 -0.463) 1.488 7.575 ( 3.879 -11.618 2.283) 12.459 7.895 ( -2.551 -7.355 -3.442) 8.512 8.531 ( -0.831 4.730 1.100) 4.926 8.821 ( 7.566 -4.426 -1.789) 8.946 9.922 ( -18.533 5.362 2.791) 19.494 10.784 ( 8.820 3.993 -2.429) 9.982 14.428 ( -10.864 0.595 -0.061) 10.881 15.137 ( 15.639 -2.312 -2.984) 16.088 15.889 ( 3.629 9.341 2.843) 10.417 16.214 ( -8.768 5.950 0.151) 10.597 16.534 ( 8.233 6.593 -5.153) 11.739 16.939 ( -1.299 -5.408 2.815) 6.234 17.592 ( -2.141 -4.250 12.026) 12.934 18.764 ( 0.834 1.171 -8.232) 8.357 18.884 ( -0.085 -3.004 0.927) 3.145 19.123 ( 2.213 1.378 -2.534) 3.635 19.427 ( -2.802 3.915 -5.401) 7.235 19.485 ( -1.777 -4.594 1.968) 5.304 ======================= Grid point 50 (42/226) ======================= q-point: ( 0.55 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.622 ( 9.806 8.018 3.535) 13.151 2.965 ( 21.964 6.549 2.195) 23.024 3.476 ( -1.423 -12.886 0.164) 12.965 4.028 ( -7.096 3.955 -1.123) 8.201 4.485 ( 3.853 -1.202 0.625) 4.084 4.829 ( -19.361 11.471 -0.912) 22.523 5.243 ( 4.319 6.260 -1.121) 7.688 5.503 ( -3.971 -9.210 -3.156) 10.514 5.716 ( -6.906 -3.924 -3.535) 8.694 6.393 ( 8.432 -1.594 12.133) 14.861 6.632 ( -1.463 -0.733 -3.803) 4.140 6.993 ( 2.335 -3.938 -3.534) 5.783 7.633 ( 2.371 1.723 3.627) 4.663 7.793 ( 2.559 -6.339 -3.093) 7.503 8.568 ( -1.181 5.088 0.189) 5.227 8.936 ( 11.638 -3.333 -2.080) 12.283 9.616 ( -22.626 2.385 3.348) 22.996 10.948 ( 7.287 2.198 -0.998) 7.677 14.282 ( -6.720 0.722 0.441) 6.773 15.366 ( 14.277 -1.379 -1.574) 14.429 16.038 ( 3.173 3.531 3.111) 5.675 16.132 ( -5.238 3.807 -0.100) 6.476 16.689 ( 6.040 5.645 -8.359) 11.757 16.850 ( -4.155 -4.287 2.528) 6.483 17.529 ( -6.527 -5.957 9.180) 12.743 18.753 ( 1.058 2.640 -6.783) 7.355 18.865 ( 0.252 -2.746 1.524) 3.150 19.154 ( 2.089 0.294 -2.461) 3.241 19.411 ( -0.397 5.418 -3.901) 6.688 19.448 ( -0.827 -3.848 4.994) 6.358 ======================= Grid point 51 (43/226) ======================= q-point: (-0.36 -0.64 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.862 ( 8.098 6.714 1.925) 10.694 3.136 ( -7.705 -5.617 -1.917) 9.726 3.511 ( 18.343 -8.116 0.900) 20.079 3.991 ( -5.801 11.095 0.256) 12.523 4.474 ( 0.454 -12.846 -0.539) 12.865 4.638 ( -14.445 11.599 -0.284) 18.527 5.252 ( 1.823 -6.000 0.206) 6.274 5.460 ( 2.733 7.877 0.737) 8.370 5.615 ( -1.895 -1.157 -2.407) 3.274 6.510 ( 2.339 -5.263 3.724) 6.858 6.613 ( 2.393 0.102 1.577) 2.868 6.968 ( 1.074 -2.641 -4.691) 5.489 7.627 ( -5.986 5.125 -0.069) 7.881 7.842 ( 6.615 -4.185 -0.025) 7.827 8.590 ( -0.675 1.857 -0.239) 1.991 9.104 ( 8.408 -2.752 -2.927) 9.318 9.294 ( -15.649 4.120 4.092) 16.691 11.052 ( 3.636 0.303 -0.101) 3.650 14.225 ( -1.865 1.950 0.584) 2.761 15.552 ( 8.590 -1.498 -0.217) 8.722 16.023 ( -3.732 -0.413 1.156) 3.929 16.187 ( 5.143 -0.579 0.919) 5.257 16.659 ( -5.967 -0.670 -3.861) 7.138 16.848 ( 2.992 3.238 -2.343) 4.993 17.367 ( -9.688 -5.348 4.009) 11.770 18.779 ( 2.706 1.143 -3.125) 4.288 18.859 ( 0.236 -0.509 1.614) 1.709 19.171 ( 1.664 -0.976 -1.847) 2.671 19.426 ( -1.314 -2.646 5.414) 6.168 19.479 ( 3.398 5.840 -2.398) 7.169 ======================= Grid point 53 (44/226) ======================= q-point: (-0.27 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.841 ( -18.528 0.306 -1.919) 18.630 3.064 ( 10.330 -1.976 0.301) 10.522 3.482 ( -5.537 -24.535 -1.459) 25.194 4.033 ( -5.454 15.654 0.823) 16.597 4.454 ( 10.632 -6.528 -1.996) 12.635 4.540 ( -5.928 8.754 1.799) 10.724 5.388 ( 10.784 6.039 0.450) 12.368 5.493 ( -2.422 -3.212 1.444) 4.274 5.670 ( 5.624 4.501 0.252) 7.207 6.470 ( -4.522 1.531 -2.065) 5.201 6.684 ( 3.030 -1.442 5.689) 6.605 6.932 ( 2.070 -4.043 -2.825) 5.349 7.568 ( -5.789 3.833 -1.380) 7.079 7.890 ( 2.842 -1.806 1.356) 3.631 8.552 ( -4.253 -1.675 -0.154) 4.574 8.936 ( -6.248 -10.685 -0.573) 12.391 9.433 ( 8.031 13.360 -0.855) 15.611 11.076 ( -0.126 -1.482 0.433) 1.549 14.261 ( 2.213 4.235 -0.026) 4.778 15.574 ( -1.881 -6.789 0.328) 7.052 16.003 ( 1.386 -1.078 1.696) 2.441 16.228 ( 1.903 -4.032 -0.375) 4.474 16.551 ( -5.932 4.736 -1.723) 7.784 16.904 ( 2.576 -0.834 -0.991) 2.884 17.172 ( -8.867 -1.665 -0.492) 9.036 18.806 ( 2.587 -3.154 -0.737) 4.145 18.898 ( 1.403 3.761 1.546) 4.302 19.169 ( 0.613 -1.657 -0.992) 2.026 19.412 ( -0.559 -2.343 4.078) 4.736 19.601 ( 5.147 5.834 -2.177) 8.078 ======================= Grid point 54 (45/226) ======================= q-point: (-0.18 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.499 ( -21.649 2.078 0.215) 21.749 2.930 ( -18.230 -22.237 -1.417) 28.789 3.277 ( 13.005 -9.102 -0.629) 15.886 4.126 ( -1.550 15.381 -0.137) 15.460 4.458 ( -2.673 2.114 3.708) 5.036 4.746 ( 14.514 4.004 -4.799) 15.802 5.402 ( -3.771 -1.500 -1.696) 4.398 5.643 ( 6.320 4.814 2.018) 8.197 5.767 ( 4.246 -0.728 -0.209) 4.313 6.344 ( -15.503 7.407 2.411) 17.350 6.745 ( -0.013 2.123 6.302) 6.650 6.985 ( 11.231 -5.724 -1.207) 12.663 7.499 ( -1.336 -0.793 -2.293) 2.769 7.948 ( 3.707 0.439 2.834) 4.687 8.433 ( -5.502 -2.369 -1.407) 6.153 8.773 ( 0.563 -13.091 -1.463) 13.184 9.685 ( 5.463 14.691 -2.612) 15.891 11.030 ( -3.058 -2.467 0.765) 4.003 14.372 ( 4.382 6.952 -1.301) 8.320 15.401 ( -5.898 -12.758 1.287) 14.114 15.995 ( -4.413 0.993 -0.381) 4.539 16.207 ( -0.525 -1.030 -0.113) 1.161 16.533 ( -0.895 4.295 -0.364) 4.402 16.856 ( -5.830 -4.468 2.259) 7.684 17.105 ( 2.771 1.016 -1.861) 3.489 18.806 ( 1.879 -3.080 -1.061) 3.761 18.974 ( 1.759 3.023 1.662) 3.872 19.154 ( -0.073 -1.309 0.279) 1.340 19.407 ( 0.148 -1.389 1.649) 2.161 19.728 ( 5.211 4.309 -2.920) 7.365 ======================= Grid point 55 (46/226) ======================= q-point: (-0.09 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.174 ( -20.576 4.480 3.761) 21.392 2.386 ( -20.985 -14.113 -0.908) 25.305 3.435 ( 14.538 -8.033 -0.697) 16.624 4.288 ( 4.079 12.710 1.022) 13.388 4.468 ( -1.050 0.666 2.609) 2.890 4.950 ( 6.315 5.866 -8.519) 12.119 5.318 ( -3.054 0.249 -3.771) 4.859 5.592 ( -10.592 0.948 0.584) 10.650 5.864 ( 2.145 -1.169 1.900) 3.095 6.182 ( -10.433 3.486 7.623) 13.383 6.808 ( 0.324 2.305 5.797) 6.247 7.077 ( 0.284 0.002 0.347) 0.449 7.575 ( 17.605 -6.892 -2.039) 19.016 8.053 ( 5.890 0.380 2.494) 6.407 8.331 ( -2.673 -1.359 -2.325) 3.795 8.662 ( 1.832 -10.778 -2.456) 11.205 9.853 ( 0.307 11.439 -2.819) 11.785 10.946 ( -4.601 -1.366 0.684) 4.848 14.517 ( 4.207 8.870 -2.391) 10.104 15.179 ( -4.996 -13.571 1.639) 14.554 15.894 ( -9.110 4.053 0.537) 9.986 16.150 ( -6.275 3.139 -5.710) 9.046 16.591 ( 2.814 -0.518 3.137) 4.246 16.730 ( -4.433 -2.029 3.820) 6.194 17.196 ( 7.414 -2.000 0.672) 7.708 18.800 ( 1.592 -2.232 -2.338) 3.603 19.017 ( 0.296 0.293 1.030) 1.111 19.154 ( 0.314 -0.028 0.865) 0.920 19.406 ( -0.004 0.413 -0.767) 0.871 19.822 ( 4.371 2.055 -3.709) 6.090 ======================= Grid point 57 (47/226) ======================= q-point: ( 0.09 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.231 ( 1.487 22.562 0.792) 22.625 2.341 ( -15.885 15.479 7.198) 23.319 3.360 ( 13.563 -11.994 -0.573) 18.114 4.349 ( -15.116 -0.035 -1.808) 15.223 4.605 ( 10.290 -5.392 4.380) 12.416 4.925 ( 8.704 -4.695 -9.341) 13.604 5.335 ( -3.846 7.393 -1.351) 8.442 5.585 ( -11.248 3.538 2.041) 11.967 5.739 ( -0.074 -3.201 1.107) 3.388 6.188 ( -11.551 5.047 3.333) 13.039 6.774 ( -5.747 -5.202 1.134) 7.834 7.170 ( 1.468 0.967 -0.034) 1.758 7.552 ( 15.744 -12.932 3.147) 20.616 8.038 ( 1.557 -4.130 -2.798) 5.226 8.416 ( 0.241 6.398 1.543) 6.586 8.626 ( 14.360 3.598 -4.110) 15.364 9.832 ( -9.596 -6.321 1.620) 11.604 10.948 ( -1.552 5.074 -1.179) 5.436 14.570 ( -2.529 -9.219 0.965) 9.609 15.101 ( 4.923 13.380 -3.024) 14.574 15.953 ( -3.012 5.165 2.084) 6.332 15.981 ( -13.055 5.389 -6.447) 15.526 16.680 ( 0.816 0.574 5.162) 5.258 16.752 ( 2.295 -0.993 2.159) 3.304 17.228 ( 6.874 -6.237 3.954) 10.089 18.740 ( 0.138 0.746 -3.246) 3.334 19.021 ( -0.274 -0.437 1.222) 1.327 19.112 ( -2.522 -0.895 -1.912) 3.289 19.434 ( 0.816 2.240 -2.722) 3.619 19.806 ( 1.304 -3.348 -2.244) 4.236 ======================= Grid point 58 (48/226) ======================= q-point: ( 0.18 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.301 ( -13.339 18.955 8.839) 24.807 2.541 ( -2.203 31.443 1.663) 31.564 3.443 ( 10.474 -12.693 0.560) 16.466 4.066 ( -14.005 1.962 -2.316) 14.330 4.669 ( 6.301 -14.156 -2.278) 15.661 5.058 ( 13.574 0.378 -2.917) 13.888 5.270 ( -10.208 2.705 2.369) 10.823 5.486 ( 0.597 -0.553 -0.923) 1.230 5.745 ( 0.613 -0.584 -2.079) 2.245 6.067 ( -11.758 7.602 3.780) 14.502 6.648 ( -3.098 -4.492 0.641) 5.494 7.162 ( -1.548 -1.705 -0.285) 2.321 7.662 ( 8.880 -11.977 4.984) 15.721 7.997 ( 1.756 -5.573 -3.830) 6.987 8.489 ( 0.681 4.862 1.452) 5.120 8.959 ( 18.375 5.226 -2.757) 19.301 9.575 ( -10.910 -7.216 1.309) 13.146 10.956 ( -3.563 5.779 -1.615) 6.979 14.462 ( 0.584 -8.043 -0.473) 8.078 15.303 ( 2.763 13.320 -1.965) 13.744 15.760 ( -16.103 9.770 -4.026) 19.260 15.993 ( 0.301 5.837 0.553) 5.871 16.706 ( -2.748 1.782 4.291) 5.399 16.803 ( 3.879 -2.612 2.476) 5.291 17.316 ( 7.316 -6.205 6.495) 11.585 18.732 ( 0.129 1.699 -4.546) 4.855 19.007 ( -0.586 -3.047 -0.214) 3.110 19.055 ( -2.381 1.597 -0.606) 2.931 19.453 ( 0.567 2.540 -3.234) 4.151 19.764 ( 1.032 -5.797 -3.808) 7.012 ======================= Grid point 59 (49/226) ======================= q-point: ( 0.27 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.324 ( -11.814 16.880 7.628) 21.971 2.655 ( -17.757 23.759 1.374) 29.693 3.484 ( 8.250 -12.175 1.516) 14.784 4.025 ( 3.111 11.309 0.405) 11.736 4.564 ( 1.947 -15.475 -3.405) 15.965 5.079 ( -10.962 7.006 -2.853) 13.319 5.354 ( 19.904 -9.620 1.425) 22.153 5.516 ( 1.236 3.626 -4.609) 5.993 5.717 ( 1.387 -3.984 -1.671) 4.538 5.989 ( -11.772 11.056 6.591) 17.443 6.602 ( 0.806 -2.188 1.171) 2.609 7.099 ( -2.651 -2.267 -0.562) 3.533 7.671 ( 2.240 -10.577 3.319) 11.309 7.951 ( 2.696 -7.201 -3.384) 8.400 8.551 ( 0.569 3.472 2.128) 4.112 9.042 ( -9.012 -8.148 1.832) 12.287 9.596 ( 16.614 6.693 -3.085) 18.175 10.906 ( -7.313 4.486 -1.526) 8.714 14.445 ( 5.993 -5.160 -1.802) 8.111 15.296 ( -12.799 2.482 -1.230) 13.095 15.704 ( -4.176 18.937 -1.788) 19.475 16.087 ( 4.052 5.993 -0.802) 7.278 16.661 ( -6.524 0.176 4.754) 8.074 16.858 ( 3.824 -2.219 1.690) 4.733 17.429 ( 6.623 -3.768 8.186) 11.183 18.727 ( 0.462 1.917 -5.286) 5.642 18.949 ( -1.011 -3.597 -0.885) 3.840 19.055 ( -0.629 2.396 0.369) 2.505 19.464 ( 0.129 1.667 -2.422) 2.944 19.684 ( -0.183 -6.324 -5.548) 8.414 ======================= Grid point 60 (50/226) ======================= q-point: ( 0.36 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.242 ( -14.884 8.618 2.436) 17.371 2.606 ( -9.573 17.657 3.911) 20.463 3.499 ( 5.656 -11.076 1.910) 12.582 4.239 ( 3.688 9.122 0.384) 9.847 4.430 ( 0.735 -12.278 -1.041) 12.344 5.015 ( -2.003 9.454 -3.764) 10.371 5.469 ( -1.368 4.720 -9.284) 10.505 5.610 ( 11.898 -10.158 4.494) 16.277 5.717 ( 1.475 1.272 -2.321) 3.030 5.981 ( -4.358 8.887 9.033) 13.401 6.630 ( 2.446 -0.332 1.199) 2.744 7.031 ( -1.971 -2.684 -0.834) 3.433 7.567 ( -3.072 -10.488 1.100) 10.984 7.906 ( 2.368 -7.785 -2.280) 8.450 8.597 ( -1.056 3.420 2.333) 4.273 8.796 ( -7.879 -6.674 0.530) 10.340 9.963 ( 16.738 6.203 -1.924) 17.954 10.787 ( -9.361 2.994 -1.152) 9.895 14.536 ( 10.083 -3.044 -2.143) 10.748 15.040 ( -15.763 0.993 -0.831) 15.816 15.838 ( -0.759 14.407 -0.154) 14.428 16.236 ( 7.270 6.094 -2.645) 9.848 16.553 ( -8.862 -0.177 4.789) 10.074 16.901 ( 2.932 -2.836 1.505) 4.348 17.549 ( 4.516 -1.470 8.316) 9.576 18.723 ( 0.698 1.296 -5.237) 5.440 18.901 ( -0.512 -2.813 -0.182) 2.865 19.075 ( 0.255 2.080 -0.218) 2.107 19.464 ( -0.021 0.018 -0.597) 0.597 19.579 ( -1.803 -4.237 -6.094) 7.638 ======================= Grid point 61 (51/226) ======================= q-point: ( 0.45 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.164 ( 1.463 2.038 1.043) 2.717 2.689 ( -1.520 12.067 2.915) 12.507 3.477 ( 2.201 -8.859 1.045) 9.188 4.266 ( -5.490 3.351 -0.470) 6.449 4.365 ( 3.465 -6.600 -0.384) 7.464 5.111 ( 2.492 5.103 -0.481) 5.699 5.427 ( -5.381 9.808 -7.892) 13.690 5.589 ( -7.648 1.808 1.210) 7.952 5.796 ( 7.960 -7.589 -0.050) 10.998 6.112 ( 4.412 4.084 7.920) 9.943 6.665 ( 0.559 0.494 -0.196) 0.771 6.965 ( -0.578 -4.897 -1.456) 5.141 7.442 ( -0.046 -5.813 1.204) 5.937 7.849 ( -0.340 -4.761 -1.768) 5.090 8.603 ( -2.307 4.161 1.230) 4.914 8.700 ( 1.673 -4.297 -0.627) 4.654 10.168 ( -0.801 2.996 0.673) 3.174 10.699 ( 0.109 1.805 -1.301) 2.227 14.616 ( -4.059 0.182 0.175) 4.067 14.881 ( 3.876 -1.157 -1.888) 4.464 15.942 ( 0.651 6.594 0.884) 6.684 16.399 ( 0.336 4.252 -0.728) 4.327 16.432 ( -0.913 0.885 -0.100) 1.275 16.913 ( 0.638 -2.576 0.948) 2.818 17.627 ( 0.838 -1.532 6.412) 6.645 18.717 ( 0.702 0.600 -4.185) 4.285 18.874 ( -0.332 -1.483 0.302) 1.549 19.097 ( 0.796 1.007 -0.801) 1.513 19.459 ( -0.388 -0.103 0.096) 0.413 19.489 ( -1.852 -1.350 -2.878) 3.679 ======================= Grid point 62 (52/226) ======================= q-point: (-0.45 -0.55 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.356 ( 18.687 -2.362 0.537) 18.843 2.812 ( 6.600 2.365 1.326) 7.135 3.412 ( -2.366 -3.886 -1.125) 4.687 4.197 ( -6.666 5.969 0.634) 8.970 4.395 ( 4.440 -2.939 -0.178) 5.328 5.112 ( -3.736 -3.290 0.815) 5.045 5.397 ( -11.288 18.216 -6.051) 22.267 5.474 ( -3.224 -5.504 3.121) 7.101 5.765 ( -3.472 -4.335 -1.409) 5.730 6.242 ( 8.819 -8.940 6.154) 13.985 6.648 ( -2.048 0.325 -2.108) 2.957 6.932 ( 0.608 1.733 -2.314) 2.954 7.505 ( 8.976 -1.097 1.747) 9.210 7.792 ( -3.038 1.268 -1.184) 3.498 8.635 ( -1.334 3.918 -0.146) 4.142 8.730 ( 8.081 -1.899 -1.368) 8.414 10.003 ( -18.040 -0.451 2.714) 18.249 10.810 ( 9.298 0.508 -0.826) 9.349 14.462 ( -11.380 1.983 1.660) 11.670 15.069 ( 16.432 -1.652 -1.572) 16.589 16.000 ( 2.537 -2.035 1.763) 3.700 16.278 ( -8.233 -1.384 3.112) 8.910 16.576 ( 8.105 4.868 -7.757) 12.230 16.883 ( -2.180 -1.179 0.490) 2.527 17.606 ( -3.756 -2.976 2.497) 5.403 18.716 ( 0.931 0.036 -1.897) 2.113 18.864 ( -0.304 0.233 0.526) 0.651 19.110 ( 1.140 -0.764 -0.993) 1.694 19.445 ( -0.955 3.561 -3.985) 5.429 19.475 ( -0.329 -1.097 6.082) 6.189 ======================= Grid point 64 (53/226) ======================= q-point: (-0.36 -0.55 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.632 ( 15.998 -7.766 -1.578) 17.853 3.015 ( 21.102 -9.884 0.914) 23.320 3.310 ( -8.292 3.928 -2.251) 9.447 4.175 ( -4.890 7.108 0.413) 8.638 4.380 ( -1.442 -7.032 -0.849) 7.228 5.016 ( -7.849 8.441 0.464) 11.536 5.241 ( -10.534 -0.474 1.143) 10.606 5.496 ( 1.462 3.422 2.753) 4.629 5.654 ( -4.609 0.610 -2.026) 5.071 6.320 ( 11.328 -15.912 4.097) 19.957 6.598 ( -1.690 0.400 -2.848) 3.335 6.971 ( -0.842 7.485 -2.387) 7.902 7.651 ( 7.283 -2.536 -2.806) 8.206 7.777 ( -2.499 6.606 2.570) 7.516 8.616 ( -1.488 -0.131 -1.560) 2.160 8.923 ( 11.849 4.689 -1.721) 12.859 9.653 ( -21.380 -2.836 3.857) 21.909 10.953 ( 7.418 -1.202 0.158) 7.516 14.337 ( -7.150 3.335 1.865) 8.107 15.327 ( 15.033 -1.496 -0.283) 15.110 15.996 ( 2.610 -11.203 2.365) 11.743 16.158 ( -4.383 -2.027 1.313) 5.005 16.680 ( 3.289 5.272 -9.333) 11.213 16.842 ( -1.663 -0.095 1.161) 2.031 17.480 ( -7.423 -2.583 -1.636) 8.028 18.727 ( 1.460 -1.519 0.879) 2.283 18.877 ( 0.066 2.418 0.586) 2.489 19.112 ( 1.593 -2.215 -1.167) 2.967 19.451 ( -0.459 -0.052 2.213) 2.261 19.517 ( 0.020 5.133 3.185) 6.041 ======================= Grid point 65 (54/226) ======================= q-point: (-0.27 -0.55 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.720 ( 11.110 -15.049 -4.701) 19.287 3.144 ( 3.466 -19.453 -1.041) 19.786 3.225 ( -5.044 4.122 -0.828) 6.566 4.154 ( 7.946 -5.786 -2.544) 10.153 4.332 ( -6.227 12.127 4.240) 14.276 4.904 ( -18.626 12.434 0.326) 22.398 5.259 ( 10.203 3.255 0.782) 10.738 5.509 ( -2.051 -4.157 2.659) 5.344 5.658 ( 1.707 5.824 0.008) 6.069 6.366 ( 10.629 -16.193 3.079) 19.613 6.592 ( 1.956 1.824 -2.446) 3.625 7.005 ( -4.101 9.941 -1.698) 10.887 7.645 ( -2.144 0.007 -5.477) 5.882 7.855 ( 1.688 3.550 4.024) 5.625 8.576 ( -1.069 -2.265 -0.906) 2.663 9.025 ( -9.046 -3.088 -0.636) 9.580 9.437 ( 1.136 6.520 1.497) 6.786 11.030 ( 3.527 -2.969 0.810) 4.681 14.312 ( -1.946 5.671 1.233) 6.121 15.485 ( 4.946 -6.072 0.456) 7.844 15.931 ( 3.950 -11.246 4.302) 12.672 16.114 ( 2.254 -4.858 -1.327) 5.517 16.685 ( -3.734 7.767 -7.024) 11.118 16.842 ( 1.878 -2.804 0.498) 3.411 17.309 ( -8.842 0.586 -4.223) 9.816 18.741 ( 1.600 -2.896 2.056) 3.895 18.923 ( 1.010 3.883 1.044) 4.146 19.110 ( 1.984 -2.751 -1.332) 3.644 19.446 ( -1.459 -1.673 4.958) 5.432 19.605 ( 1.425 7.108 0.985) 7.316 ======================= Grid point 66 (55/226) ======================= q-point: (-0.18 -0.55 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.673 ( -0.107 -12.892 -3.828) 13.449 2.838 ( -1.936 -32.359 -2.879) 32.544 3.144 ( -8.312 8.870 -0.485) 12.166 4.342 ( 7.031 1.904 1.544) 7.446 4.407 ( 2.767 12.127 0.097) 12.439 4.740 ( -11.021 7.385 2.568) 13.513 5.429 ( -1.682 -3.612 0.373) 4.002 5.535 ( 12.504 7.323 -0.617) 14.504 5.724 ( 0.629 0.310 1.105) 1.309 6.414 ( 9.766 -12.240 1.994) 15.785 6.685 ( 7.317 3.414 -1.270) 8.174 6.998 ( -9.189 11.332 1.158) 14.635 7.537 ( -5.617 -1.256 -5.826) 8.190 7.933 ( 1.564 2.337 3.916) 4.821 8.517 ( -3.302 -2.364 0.153) 4.064 8.723 ( -12.016 -9.559 0.581) 15.365 9.672 ( 9.620 11.803 -2.223) 15.388 11.029 ( 0.162 -4.103 1.121) 4.256 14.389 ( 2.086 8.527 -0.101) 8.779 15.367 ( -4.770 -14.231 1.353) 15.070 15.983 ( 4.480 -3.890 4.547) 7.475 16.114 ( 5.872 -5.799 -1.943) 8.479 16.649 ( -5.263 8.116 -5.957) 11.360 16.833 ( 1.405 -6.583 2.139) 7.063 17.167 ( -7.020 4.410 -4.756) 9.558 18.748 ( 1.347 -2.704 1.445) 3.349 18.988 ( 1.225 3.225 1.028) 3.599 19.114 ( 2.137 -2.033 -0.651) 3.021 19.429 ( -1.644 -1.429 4.257) 4.782 19.704 ( 2.136 5.616 -0.186) 6.011 ======================= Grid point 67 (56/226) ======================= q-point: (-0.09 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.339 ( -9.845 -19.192 -0.331) 21.572 2.633 ( -6.720 -2.998 -1.556) 7.521 3.138 ( 4.371 -1.658 -1.349) 4.865 4.385 ( -3.306 8.699 -0.503) 9.320 4.582 ( 0.096 4.379 4.265) 6.113 4.748 ( 7.103 1.073 -2.020) 7.462 5.369 ( -2.293 -0.859 -0.280) 2.465 5.692 ( -2.822 -1.050 -0.242) 3.021 5.791 ( 8.731 3.763 -0.395) 9.515 6.442 ( -1.089 -2.931 1.597) 3.511 6.880 ( 11.161 1.530 0.514) 11.277 6.942 ( -7.254 6.979 3.706) 10.726 7.395 ( -3.125 -3.873 -4.347) 6.608 8.002 ( 2.235 1.124 2.456) 3.506 8.412 ( -7.142 0.649 1.344) 7.296 8.527 ( 0.157 -9.431 -2.020) 9.646 9.894 ( 4.967 8.816 -2.297) 10.376 10.983 ( -1.574 -3.078 0.962) 3.588 14.533 ( 3.709 10.155 -1.419) 10.904 15.137 ( -5.258 -14.429 1.966) 15.482 15.990 ( -1.182 -0.958 -0.111) 1.525 16.175 ( 3.990 -2.309 0.672) 4.658 16.606 ( -3.200 4.407 -3.165) 6.299 16.787 ( -1.414 -4.759 2.497) 5.557 17.119 ( -0.556 2.759 -2.183) 3.562 18.750 ( 0.949 -1.691 0.051) 1.939 19.022 ( 0.192 0.705 0.071) 0.735 19.139 ( 1.691 -0.126 0.566) 1.788 19.416 ( -0.779 -0.407 1.894) 2.088 19.778 ( 1.922 2.835 -1.041) 3.580 ======================= Grid point 137 (57/226) ======================= q-point: ( 0.09 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.352 ( -0.000 0.000 20.367) 20.367 0.352 ( -0.000 0.000 20.367) 20.367 0.720 ( -0.000 0.000 41.518) 41.518 4.525 ( 0.000 -0.000 -0.481) 0.481 5.116 ( 0.000 -0.000 -9.028) 9.028 5.116 ( 0.000 -0.000 -9.028) 9.028 5.761 ( 0.000 -0.000 -5.385) 5.385 5.879 ( -0.000 0.000 6.834) 6.834 5.879 ( -0.000 0.000 6.834) 6.834 6.644 ( -0.000 0.000 0.953) 0.953 6.644 ( -0.000 0.000 0.953) 0.953 7.155 ( -0.000 0.000 2.087) 2.087 8.511 ( 0.000 -0.000 -2.748) 2.748 8.550 ( -0.000 0.000 0.401) 0.401 9.087 ( 0.000 0.000 -1.341) 1.341 9.087 ( 0.000 0.000 -1.341) 1.341 9.131 ( -0.000 0.000 1.042) 1.042 9.131 ( -0.000 0.000 1.042) 1.042 14.604 ( 0.000 0.000 0.096) 0.096 14.604 ( 0.000 0.000 0.096) 0.096 15.069 ( 0.000 -0.000 -1.083) 1.083 15.069 ( 0.000 -0.000 -1.083) 1.083 16.351 ( -0.000 0.000 1.618) 1.618 16.351 ( -0.000 0.000 1.618) 1.618 17.611 ( 0.000 -0.000 -0.556) 0.556 18.954 ( 0.000 -0.000 -0.138) 0.138 18.975 ( -0.000 0.000 0.837) 0.837 19.129 ( 0.000 -0.000 -0.280) 0.280 19.129 ( 0.000 -0.000 -0.280) 0.280 19.996 ( 0.000 -0.000 -0.003) 0.003 ======================= Grid point 138 (58/226) ======================= q-point: ( 0.18 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.651 ( 7.001 32.127 9.626) 34.261 0.937 ( 10.625 4.165 29.424) 31.559 1.467 ( 52.608 19.681 13.653) 57.804 4.398 ( -8.479 -4.955 -1.561) 9.944 4.989 ( -5.204 0.524 -12.031) 13.119 5.096 ( 2.046 -7.474 -6.674) 10.227 5.681 ( -5.331 -4.512 -2.973) 7.591 5.811 ( -4.265 -0.780 2.424) 4.967 6.020 ( 2.278 1.403 10.173) 10.519 6.129 ( -25.220 -11.469 22.727) 35.834 6.680 ( 2.279 -0.954 2.440) 3.472 6.740 ( -2.228 4.050 7.723) 9.001 8.421 ( -2.842 -1.595 -2.628) 4.187 8.481 ( -3.007 -1.831 -1.849) 3.977 8.954 ( -10.261 4.268 -1.261) 11.185 9.048 ( -2.321 -11.703 1.084) 11.980 9.263 ( 9.273 2.639 -0.840) 9.678 10.147 ( 29.456 16.602 -23.278) 41.051 14.580 ( 2.039 -4.284 -1.322) 4.926 14.719 ( 5.456 8.368 1.910) 10.170 15.086 ( -0.380 6.684 -2.106) 7.018 15.611 ( 17.691 6.355 -16.096) 24.747 16.389 ( 1.265 0.720 2.812) 3.166 16.720 ( 21.604 12.515 -18.868) 31.295 17.610 ( -0.122 -0.122 -0.212) 0.273 18.937 ( -1.819 -0.391 -1.198) 2.213 19.023 ( 0.022 3.752 -4.745) 6.050 19.124 ( 0.047 -0.491 -0.505) 0.706 19.168 ( 4.653 0.556 -1.416) 4.896 20.011 ( 1.852 -1.794 -4.876) 5.515 ======================= Grid point 139 (59/226) ======================= q-point: ( 0.27 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.134 ( 11.671 20.740 10.506) 26.014 1.347 ( 13.002 10.893 18.813) 25.331 2.640 ( 51.294 23.324 5.474) 56.613 4.173 ( -9.700 -5.846 -1.467) 11.420 4.792 ( -9.133 -1.782 -9.120) 13.030 4.992 ( 1.187 -12.223 -4.175) 12.970 5.538 ( -4.260 -3.639 0.105) 5.603 5.676 ( -8.343 -7.212 1.692) 11.157 5.951 ( -8.088 4.250 8.003) 12.146 6.109 ( -0.660 2.747 6.584) 7.165 6.734 ( 0.787 3.326 3.432) 4.843 6.833 ( 4.375 2.220 4.518) 6.669 8.337 ( -2.500 -2.371 -2.970) 4.549 8.374 ( -5.129 -2.986 -2.473) 6.429 8.771 ( -19.456 4.817 1.540) 20.103 8.868 ( 1.012 -17.016 -1.579) 17.119 9.463 ( 10.234 4.531 -0.876) 11.226 10.490 ( 13.578 6.917 -9.340) 17.873 14.574 ( 4.097 -5.797 -1.698) 7.299 14.926 ( 3.247 11.316 1.421) 11.858 15.186 ( 6.426 8.807 -1.825) 11.054 15.749 ( 6.157 1.066 -7.178) 9.516 16.443 ( 2.367 0.780 2.813) 3.758 16.933 ( 5.141 3.831 -6.627) 9.221 17.589 ( -2.486 -1.374 2.318) 3.667 18.865 ( -3.961 -0.317 -4.483) 5.990 19.020 ( -0.751 2.330 -2.282) 3.347 19.119 ( -0.239 0.809 -1.239) 1.499 19.249 ( 5.439 0.039 -2.902) 6.165 19.963 ( 0.356 -4.444 -6.421) 7.817 ======================= Grid point 140 (60/226) ======================= q-point: ( 0.36 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.592 ( 15.031 15.597 8.876) 23.409 1.764 ( 12.278 10.708 10.708) 19.495 3.638 ( 30.078 17.312 1.868) 34.755 3.981 ( -1.116 -0.519 -1.903) 2.266 4.593 ( -2.470 -6.239 -4.969) 8.350 4.858 ( -1.222 -10.725 -1.766) 10.938 5.420 ( -7.046 -6.542 -4.566) 10.643 5.500 ( -2.849 -2.138 3.676) 5.119 5.912 ( -7.361 6.332 4.253) 10.600 6.146 ( -1.647 3.221 4.924) 6.110 6.803 ( -0.020 5.501 2.594) 6.082 6.966 ( 6.919 0.239 2.898) 7.505 8.214 ( -6.752 -7.701 -2.060) 10.447 8.263 ( -4.401 0.215 -3.284) 5.496 8.433 ( -16.876 -6.131 3.192) 18.237 8.727 ( -2.894 -7.392 -2.854) 8.436 9.676 ( 9.730 4.148 -0.386) 10.584 10.700 ( 9.215 4.720 -4.273) 11.200 14.586 ( 5.422 -6.366 -1.574) 8.508 15.010 ( -3.654 8.937 -1.773) 9.816 15.476 ( 14.168 11.063 0.883) 17.997 15.812 ( 4.413 1.412 -4.903) 6.746 16.518 ( 3.772 1.066 1.718) 4.280 16.959 ( -2.626 0.248 3.397) 4.301 17.517 ( -6.227 -2.979 5.673) 8.936 18.768 ( -2.840 -0.059 -6.579) 7.166 19.022 ( -0.256 1.251 -0.345) 1.323 19.118 ( -0.254 1.785 -2.098) 2.766 19.314 ( 4.714 -0.744 -3.699) 6.039 19.879 ( -0.461 -4.507 -5.854) 7.402 ======================= Grid point 141 (61/226) ======================= q-point: ( 0.45 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.997 ( 7.869 11.818 1.281) 14.256 2.122 ( 16.833 7.281 10.361) 21.065 3.592 ( -16.119 -6.735 1.253) 17.514 4.340 ( 8.196 13.977 -3.326) 16.540 4.582 ( 7.203 -13.265 3.392) 15.471 4.810 ( 8.550 -0.963 -7.115) 11.165 5.221 ( -2.487 -3.282 -4.483) 6.087 5.528 ( 2.934 2.099 2.181) 4.216 5.875 ( -5.592 5.127 2.738) 8.065 6.207 ( 1.481 6.101 5.379) 8.267 6.868 ( -0.242 5.912 1.752) 6.171 7.087 ( 5.857 -1.794 0.824) 6.181 7.836 ( -21.716 -14.771 -0.608) 26.270 8.116 ( -6.817 -0.419 -3.027) 7.471 8.325 ( 2.420 -1.855 2.474) 3.927 8.585 ( -5.437 -3.763 -2.226) 6.977 9.858 ( 7.355 2.467 0.342) 7.765 10.849 ( 5.775 3.156 -2.486) 7.035 14.612 ( 5.526 -6.007 -1.245) 8.257 14.997 ( -4.963 6.921 -2.028) 8.755 15.824 ( 13.025 7.220 1.829) 15.004 15.885 ( 5.007 4.098 -4.978) 8.163 16.608 ( 4.612 1.556 0.152) 4.870 16.896 ( -7.309 -2.134 7.295) 10.545 17.384 ( -9.365 -4.067 7.519) 12.680 18.709 ( 0.018 0.514 -5.700) 5.723 19.029 ( -0.021 0.228 0.427) 0.485 19.123 ( 0.094 2.316 -2.107) 3.133 19.352 ( 3.533 -1.024 -4.372) 5.714 19.808 ( -0.056 -2.742 -3.689) 4.596 ======================= Grid point 142 (62/226) ======================= q-point: ( 0.55 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.128 ( 1.091 2.290 0.753) 2.646 2.535 ( 13.004 5.719 4.376) 14.865 3.235 ( -14.240 -6.308 1.584) 15.654 4.440 ( 0.743 -3.768 -0.858) 3.935 4.639 ( 1.397 3.584 2.500) 4.587 4.758 ( -1.113 -0.786 -3.533) 3.786 5.298 ( 7.431 0.732 -3.175) 8.114 5.626 ( 4.495 1.003 -0.914) 4.695 5.861 ( -1.516 2.309 0.496) 2.806 6.396 ( 5.614 7.587 4.043) 10.268 6.947 ( 2.200 6.945 1.472) 7.432 7.033 ( -10.410 -9.547 -4.625) 14.863 7.379 ( -8.417 -9.583 0.587) 12.768 8.021 ( -2.192 0.651 -2.427) 3.335 8.411 ( 5.278 1.238 3.673) 6.549 8.453 ( -5.911 -1.284 -0.355) 6.059 9.968 ( 3.468 -0.118 1.158) 3.658 10.927 ( 2.178 1.420 -2.046) 3.309 14.637 ( 3.791 -4.173 -0.922) 5.712 14.976 ( -2.821 4.864 -1.007) 5.712 15.953 ( 3.406 0.770 -0.914) 3.609 16.094 ( 8.508 5.659 -1.361) 10.308 16.698 ( 3.563 1.596 -1.060) 4.046 16.752 ( -9.576 -4.249 5.620) 11.888 17.228 ( -8.188 -3.229 6.651) 11.032 18.715 ( 2.189 1.168 -2.237) 3.340 19.024 ( -0.239 -0.797 -0.577) 1.012 19.143 ( 0.424 1.842 -0.420) 1.937 19.374 ( 2.565 0.423 -4.032) 4.798 19.790 ( 1.450 -0.592 -1.072) 1.898 ======================= Grid point 143 (63/226) ======================= q-point: (-0.36 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.112 ( -2.829 -3.211 -0.251) 4.287 2.440 ( -18.440 -11.557 0.030) 21.763 3.278 ( 13.373 6.916 3.316) 15.416 4.421 ( -0.360 1.890 -2.525) 3.174 4.497 ( -5.288 -2.203 -2.609) 6.295 5.005 ( 11.026 9.252 7.581) 16.268 5.345 ( -0.852 -0.022 0.123) 0.861 5.648 ( -4.014 -0.727 -0.091) 4.081 5.825 ( -2.466 -8.229 -1.341) 8.695 6.251 ( -15.712 -9.584 -4.544) 18.957 6.804 ( -0.923 -0.799 -5.011) 5.157 7.088 ( 0.599 4.187 -1.364) 4.444 7.403 ( 14.193 3.959 1.247) 14.788 8.033 ( 2.694 2.928 -1.859) 4.392 8.366 ( -3.939 0.129 2.114) 4.472 8.554 ( 5.353 3.990 4.103) 7.836 9.981 ( -1.101 -3.067 1.907) 3.776 10.928 ( -1.240 -0.342 -2.025) 2.399 14.645 ( 1.073 -1.597 -0.540) 1.998 14.993 ( 0.729 2.673 0.048) 2.771 15.949 ( -3.647 -2.947 -0.491) 4.714 16.211 ( 0.528 0.569 1.848) 2.005 16.598 ( -3.947 -2.850 2.808) 5.620 16.703 ( -2.824 -1.080 -3.172) 4.382 17.179 ( 1.148 1.460 3.198) 3.698 18.771 ( 2.906 1.455 1.098) 3.431 19.004 ( 0.019 -1.165 -1.572) 1.957 19.159 ( -0.163 0.693 0.213) 0.743 19.406 ( 1.563 1.929 -1.758) 3.042 19.832 ( 3.280 1.150 0.454) 3.505 ======================= Grid point 144 (64/226) ======================= q-point: (-0.27 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.879 ( -21.332 -10.300 -2.183) 23.789 2.004 ( -11.751 -12.817 1.975) 17.501 3.599 ( 12.370 6.637 1.222) 14.091 4.348 ( -7.103 -2.844 -3.320) 8.340 4.549 ( 4.517 8.626 1.789) 9.900 5.043 ( -24.780 -11.335 4.752) 27.661 5.358 ( 4.158 1.000 -2.185) 4.803 5.422 ( 3.284 -1.786 3.185) 4.911 5.741 ( 2.624 -2.950 -4.086) 5.682 6.092 ( -0.643 0.809 -1.691) 1.982 6.760 ( -1.643 -0.712 -3.652) 4.067 7.013 ( -5.256 -3.028 -2.570) 6.588 7.831 ( 22.564 10.578 -1.380) 24.959 8.132 ( 5.258 4.435 -1.571) 7.056 8.345 ( -0.808 0.309 3.506) 3.611 8.703 ( 3.688 5.756 3.433) 7.650 9.895 ( -5.251 -5.668 2.398) 8.090 10.861 ( -3.790 -1.785 -1.968) 4.628 14.639 ( -0.378 -0.417 -0.055) 0.565 15.038 ( 1.447 0.954 0.468) 1.795 15.748 ( -12.332 -6.786 -2.236) 14.252 16.137 ( -7.039 -5.125 6.770) 11.029 16.571 ( -5.633 -2.690 -1.282) 6.373 16.669 ( 7.806 3.909 -2.558) 9.097 17.290 ( 5.781 3.739 0.767) 6.927 18.845 ( 2.624 1.386 2.607) 3.950 18.992 ( 1.079 -0.796 -1.747) 2.203 19.155 ( -0.736 0.431 -0.267) 0.894 19.430 ( -0.524 0.987 0.547) 1.244 19.922 ( 4.675 2.331 0.353) 5.236 ======================= Grid point 145 (65/226) ======================= q-point: (-0.18 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( -23.527 -13.668 1.704) 27.263 1.656 ( -17.435 -12.447 1.018) 21.446 3.606 ( -33.957 -17.630 0.565) 38.265 4.002 ( 0.787 1.287 -1.635) 2.225 4.734 ( 6.732 3.557 -0.589) 7.636 4.851 ( 8.607 4.660 -0.073) 9.788 5.347 ( -0.068 0.345 0.957) 1.019 5.644 ( 10.305 1.688 2.078) 10.647 5.751 ( 0.527 2.532 -1.095) 2.809 6.085 ( -1.472 0.009 0.130) 1.478 6.696 ( -2.461 -0.930 -2.365) 3.537 6.869 ( -5.501 -3.710 -2.116) 6.964 8.267 ( 5.782 4.920 -0.411) 7.603 8.299 ( 21.565 8.779 -3.140) 23.495 8.373 ( 1.432 0.199 2.685) 3.050 8.826 ( 1.819 6.388 2.323) 7.037 9.728 ( -8.069 -7.343 2.473) 11.187 10.751 ( -4.913 -2.655 -2.022) 5.940 14.627 ( -0.340 -0.767 0.246) 0.875 15.031 ( -3.200 -1.789 -0.087) 3.667 15.438 ( -13.134 -6.059 -1.620) 14.555 16.008 ( -5.645 -4.510 4.825) 8.689 16.441 ( -4.412 -2.545 -2.584) 5.711 16.873 ( 9.721 5.618 -0.144) 11.228 17.426 ( 5.312 3.325 0.500) 6.287 18.905 ( 1.421 0.935 1.560) 2.308 19.014 ( 2.687 0.179 -0.694) 2.781 19.143 ( -0.990 0.844 -0.749) 1.501 19.409 ( -2.537 -0.892 1.265) 2.972 20.027 ( 4.937 2.139 -1.364) 5.551 ======================= Grid point 146 (66/226) ======================= q-point: (-0.09 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.873 ( -19.674 -13.047 9.860) 25.583 1.186 ( -25.223 -10.058 2.764) 27.295 2.533 ( -52.404 -31.208 0.235) 60.993 4.213 ( 11.224 6.474 -1.311) 13.023 4.893 ( 9.387 5.025 -8.233) 13.459 5.098 ( 10.477 3.820 3.936) 11.826 5.394 ( 2.728 1.545 6.976) 7.648 5.743 ( 5.933 -3.371 -6.305) 9.291 5.828 ( -1.662 7.695 5.668) 9.701 6.028 ( -4.397 -2.101 1.454) 5.086 6.649 ( -1.674 0.435 0.521) 1.807 6.742 ( -4.041 -3.251 -0.939) 5.271 8.401 ( 4.710 3.959 -0.378) 6.165 8.415 ( 2.475 0.154 0.137) 2.484 8.699 ( 17.803 6.188 -2.166) 18.972 8.921 ( 0.833 6.405 1.311) 6.590 9.516 ( -9.089 -7.919 2.050) 12.227 10.623 ( -4.887 -3.165 -4.218) 7.190 14.616 ( 0.542 -2.028 0.076) 2.101 14.874 ( -10.106 -3.986 -0.715) 10.887 15.220 ( -7.417 -1.817 -0.372) 7.645 15.914 ( -3.497 -3.010 1.076) 4.737 16.354 ( -1.837 -1.232 -1.887) 2.907 17.068 ( 7.050 4.249 -3.199) 8.831 17.536 ( 3.678 2.294 1.505) 4.589 18.934 ( 0.802 0.600 0.044) 1.003 19.066 ( 2.627 0.893 -0.339) 2.795 19.131 ( -1.162 1.571 -1.284) 2.338 19.345 ( -3.418 -2.120 -0.265) 4.031 20.101 ( 4.097 0.273 -5.205) 6.630 ======================= Grid point 149 (67/226) ======================= q-point: ( 0.18 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.799 ( 26.016 23.325 11.810) 36.883 1.111 ( -3.542 14.338 26.436) 30.281 1.501 ( -10.689 46.394 17.155) 50.606 4.398 ( 0.117 -9.942 -0.607) 9.962 4.839 ( 0.067 -9.078 -11.265) 14.468 5.119 ( -4.358 3.242 -10.174) 11.534 5.679 ( -0.995 -1.143 -6.882) 7.047 5.828 ( 0.804 -6.338 4.958) 8.087 6.068 ( 1.366 2.012 8.143) 8.498 6.264 ( 1.273 -29.697 22.292) 37.155 6.662 ( -2.046 1.117 1.054) 2.558 6.783 ( 5.073 -4.196 8.757) 10.955 8.414 ( 0.041 -2.129 -2.912) 3.607 8.467 ( -0.086 -3.941 -2.260) 4.544 8.960 ( 8.874 -10.353 -1.428) 13.711 9.018 ( -7.803 -5.140 0.817) 9.379 9.316 ( -4.416 11.831 0.847) 12.657 9.994 ( 0.364 36.346 -21.548) 42.255 14.587 ( -6.672 0.373 -1.004) 6.758 14.702 ( 6.443 7.087 1.778) 9.742 15.086 ( 7.439 3.432 -2.530) 8.575 15.541 ( -5.021 24.926 -15.712) 29.890 16.342 ( 0.242 -1.395 1.439) 2.018 16.676 ( -0.074 22.334 -9.299) 24.193 17.607 ( -0.078 0.178 -0.563) 0.596 18.938 ( 0.646 -1.347 -0.893) 1.740 19.005 ( 2.663 1.363 -3.236) 4.407 19.110 ( -1.033 -1.115 -0.619) 1.641 19.177 ( -0.990 4.973 -0.867) 5.144 19.978 ( -2.190 -1.980 -3.044) 4.241 ======================= Grid point 150 (68/226) ======================= q-point: ( 0.27 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( 3.417 10.600 24.681) 27.078 1.457 ( 9.260 24.620 11.100) 28.550 2.232 ( 30.031 44.301 6.644) 53.932 4.230 ( -6.387 -9.799 -0.165) 11.698 4.716 ( 2.963 -10.566 -9.752) 14.681 4.941 ( -8.509 -3.175 -8.558) 12.478 5.572 ( -4.315 -2.840 -2.217) 5.622 5.733 ( -5.655 -9.260 1.332) 10.932 6.109 ( -2.016 -6.526 14.898) 16.389 6.190 ( -1.326 2.632 6.093) 6.768 6.714 ( 4.160 2.539 0.771) 4.934 6.847 ( 1.534 -2.194 7.108) 7.595 8.339 ( -3.257 -4.140 -3.256) 6.193 8.397 ( -2.269 -2.314 -2.682) 4.206 8.726 ( -5.915 -15.519 0.322) 16.611 9.145 ( 3.569 -0.151 -0.748) 3.650 9.259 ( -5.101 8.235 -0.734) 9.714 10.316 ( 12.545 16.734 -11.559) 23.896 14.490 ( -2.266 -2.558 -2.015) 3.967 14.963 ( 9.964 12.533 3.072) 16.303 15.210 ( 2.034 5.844 -0.613) 6.219 15.642 ( 3.061 11.600 -11.948) 16.932 16.394 ( 4.673 -1.431 2.001) 5.281 16.868 ( 5.037 12.792 -6.149) 15.061 17.604 ( -0.195 -0.447 0.543) 0.730 18.902 ( -2.584 -1.303 -2.593) 3.886 19.047 ( 1.064 3.441 -5.327) 6.430 19.078 ( 0.856 -2.312 -0.969) 2.649 19.211 ( 0.079 3.960 -0.583) 4.003 19.883 ( -1.481 -5.872 -3.730) 7.112 ======================= Grid point 151 (69/226) ======================= q-point: ( 0.36 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( 6.390 12.378 18.325) 23.018 1.885 ( 4.909 26.403 7.152) 27.792 3.238 ( 37.720 31.534 2.000) 49.206 4.026 ( -7.012 -8.293 1.281) 10.935 4.574 ( -3.207 -9.359 -8.512) 13.051 4.740 ( -2.383 -7.474 -4.898) 9.248 5.449 ( -6.214 -7.134 -0.577) 9.478 5.551 ( -4.346 -3.408 0.945) 5.603 6.102 ( -4.765 2.966 5.043) 7.545 6.217 ( -1.098 -0.375 7.093) 7.187 6.838 ( 4.714 4.797 1.181) 6.829 6.883 ( 2.396 -2.823 3.495) 5.092 8.191 ( -4.362 -9.414 -3.265) 10.877 8.326 ( -3.469 1.022 -1.429) 3.888 8.471 ( -5.713 -17.227 0.108) 18.150 8.997 ( -19.112 11.148 1.051) 22.151 9.427 ( 16.065 -4.459 -2.236) 16.822 10.589 ( 9.660 10.546 -5.620) 15.366 14.436 ( 1.715 -5.004 -2.472) 5.839 15.214 ( -3.891 14.590 0.780) 15.120 15.355 ( 12.595 7.983 1.542) 14.991 15.729 ( 4.061 5.514 -7.450) 10.119 16.475 ( 4.110 0.752 1.343) 4.389 16.995 ( 1.454 3.887 1.824) 4.533 17.591 ( -2.048 -1.826 4.606) 5.361 18.799 ( -4.818 -0.368 -6.522) 8.117 19.041 ( -0.923 0.933 -0.969) 1.631 19.092 ( 2.586 0.535 -4.926) 5.589 19.247 ( 1.204 2.074 -1.387) 2.771 19.787 ( 0.413 -6.605 -4.157) 7.815 ======================= Grid point 152 (70/226) ======================= q-point: ( 0.45 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.013 ( 11.788 12.545 12.415) 21.224 2.199 ( -1.905 25.684 2.365) 25.863 3.773 ( -10.781 -5.912 3.750) 12.855 4.127 ( 31.021 12.783 -0.838) 33.562 4.384 ( -2.086 -5.864 -5.639) 8.398 4.658 ( 2.993 -6.310 -2.725) 7.497 5.244 ( -6.612 -6.368 -2.365) 9.480 5.537 ( 0.408 2.737 1.033) 2.954 6.026 ( -7.395 -0.229 0.711) 7.433 6.267 ( 1.489 2.942 7.339) 8.045 6.892 ( 1.638 -2.420 1.033) 3.100 6.988 ( 5.627 3.824 -0.118) 6.805 7.930 ( -10.771 -16.764 -2.168) 20.043 8.212 ( -7.803 -6.507 -2.638) 10.497 8.311 ( 0.214 0.348 3.120) 3.147 8.794 ( -16.411 8.712 0.895) 18.602 9.634 ( 15.069 -6.149 -1.617) 16.355 10.790 ( 6.116 7.878 -3.019) 10.420 14.419 ( 4.787 -6.978 -2.334) 8.778 15.229 ( -8.135 12.998 -0.851) 15.358 15.685 ( 12.959 7.193 1.616) 14.909 15.820 ( 4.933 5.731 -4.259) 8.679 16.566 ( 3.822 3.248 -0.250) 5.022 17.008 ( -3.856 -1.950 5.808) 7.239 17.537 ( -6.619 -3.701 10.315) 12.802 18.692 ( -2.043 1.182 -8.760) 9.073 19.030 ( -0.172 -0.786 -0.389) 0.894 19.114 ( 1.710 2.128 -4.252) 5.053 19.276 ( 1.929 0.880 -2.614) 3.366 19.727 ( 1.924 -5.258 -3.184) 6.441 ======================= Grid point 153 (71/226) ======================= q-point: ( 0.55 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.332 ( -5.996 17.151 1.730) 18.251 2.425 ( 10.281 16.099 5.359) 19.839 3.450 ( -17.420 -8.924 2.053) 19.680 4.301 ( 6.080 -10.414 -0.539) 12.071 4.626 ( 8.947 6.676 6.559) 12.948 4.681 ( 5.623 -3.441 -7.010) 9.623 5.160 ( 4.890 3.043 -4.871) 7.543 5.593 ( 1.776 2.845 0.096) 3.355 5.887 ( -4.079 -6.260 -1.093) 7.551 6.417 ( 4.897 7.679 5.537) 10.659 6.890 ( 2.775 -6.206 -2.887) 7.386 7.081 ( -0.156 3.201 -0.119) 3.207 7.500 ( -17.137 -13.878 -0.525) 22.058 8.054 ( -3.986 -2.229 -2.709) 5.310 8.392 ( 3.657 4.016 5.036) 7.407 8.625 ( -12.307 5.996 0.992) 13.726 9.787 ( 11.851 -8.492 -0.798) 14.602 10.916 ( 2.388 5.812 -2.115) 6.630 14.433 ( 6.876 -8.141 -1.986) 10.840 15.205 ( -9.032 13.313 -0.570) 16.098 15.877 ( 6.208 1.898 -1.852) 6.750 16.006 ( 8.264 7.243 -0.099) 10.990 16.667 ( 3.593 5.403 -1.506) 6.661 16.892 ( -8.395 -6.361 5.877) 12.061 17.400 ( -10.807 -5.401 10.848) 16.237 18.673 ( 2.278 2.644 -5.657) 6.647 19.010 ( -0.170 -1.716 -1.275) 2.145 19.147 ( 1.197 2.077 -1.106) 2.640 19.309 ( 2.897 1.800 -3.867) 5.156 19.714 ( 3.387 -3.700 -1.837) 5.342 ======================= Grid point 154 (72/226) ======================= q-point: (-0.36 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.330 ( -12.786 16.103 -0.184) 20.563 2.623 ( -8.480 0.636 1.346) 8.610 3.205 ( 0.584 0.195 4.640) 4.681 4.336 ( 7.005 -3.732 -2.377) 8.285 4.544 ( -6.369 -5.645 -3.147) 9.074 4.900 ( 11.971 3.878 6.494) 14.160 5.325 ( 6.017 5.162 -1.178) 8.015 5.644 ( 2.641 0.555 -1.861) 3.278 5.763 ( -0.920 -10.451 -0.911) 10.531 6.458 ( -15.042 -4.242 -2.875) 15.891 6.763 ( -0.521 -5.543 -3.384) 6.515 7.106 ( 2.238 4.796 0.929) 5.373 7.275 ( 0.301 -0.762 0.368) 0.898 8.003 ( 0.967 0.019 -2.108) 2.319 8.481 ( -5.466 1.793 1.787) 6.023 8.582 ( 1.881 10.518 4.995) 11.795 9.853 ( 7.455 -11.490 0.005) 13.697 10.961 ( -1.354 3.988 -1.958) 4.644 14.467 ( 7.679 -8.124 -1.934) 11.345 15.187 ( -8.280 13.411 0.405) 15.766 15.953 ( 1.222 0.057 -0.795) 1.459 16.172 ( 5.307 3.687 -1.141) 6.563 16.691 ( -9.116 -8.198 5.969) 13.636 16.752 ( -0.720 5.509 -1.512) 5.758 17.233 ( -6.416 -4.440 6.363) 10.068 18.738 ( 3.656 2.986 -0.833) 4.793 18.980 ( -0.112 -1.788 -1.882) 2.598 19.171 ( -0.038 0.597 0.969) 1.139 19.371 ( 3.552 3.362 -3.342) 5.924 19.747 ( 5.080 -2.388 -1.566) 5.828 ======================= Grid point 155 (73/226) ======================= q-point: (-0.27 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.173 ( -20.561 -0.730 -0.949) 20.595 2.288 ( -21.913 5.016 3.343) 22.727 3.441 ( 13.559 5.157 3.491) 14.921 4.343 ( -1.917 -4.987 -3.429) 6.349 4.499 ( 7.718 1.956 -0.521) 7.979 5.162 ( 13.745 -3.158 -0.171) 14.104 5.394 ( -4.413 -5.645 -2.987) 7.763 5.447 ( -21.255 -6.720 5.445) 22.948 5.703 ( 1.808 4.235 -1.560) 4.861 6.119 ( -5.964 -2.553 -1.382) 6.633 6.746 ( 0.268 -2.127 -0.565) 2.217 7.082 ( -5.869 0.834 -3.783) 7.032 7.518 ( 19.971 4.991 0.539) 20.592 8.055 ( 5.345 1.017 -1.747) 5.714 8.417 ( -4.124 1.619 1.909) 4.824 8.777 ( 2.635 13.147 3.601) 13.884 9.814 ( 2.928 -14.550 0.637) 14.855 10.930 ( -4.600 2.527 -2.099) 5.653 14.505 ( 6.775 -7.038 -2.369) 10.052 15.193 ( -6.771 12.385 1.649) 14.211 15.865 ( -8.706 -3.738 -1.815) 9.646 16.214 ( -2.933 -3.348 2.373) 5.044 16.589 ( 2.503 -1.901 4.332) 5.352 16.687 ( -9.016 2.016 -1.237) 9.321 17.230 ( 4.545 0.233 2.594) 5.238 18.830 ( 3.121 2.708 1.939) 4.564 18.956 ( 0.618 -1.222 -2.181) 2.575 19.171 ( -0.711 -0.245 1.129) 1.356 19.435 ( 1.571 2.287 -1.228) 3.034 19.820 ( 6.681 -0.847 -3.314) 7.506 ======================= Grid point 156 (74/226) ======================= q-point: (-0.18 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( -26.142 -8.903 3.317) 27.815 2.029 ( -24.121 9.152 4.616) 26.209 3.710 ( 9.481 2.072 2.576) 10.041 4.141 ( -17.246 -14.954 -1.076) 22.851 4.701 ( 11.393 4.760 -2.232) 12.548 4.786 ( -16.182 -4.979 -8.857) 19.108 5.342 ( 6.640 0.379 -3.445) 7.490 5.442 ( 1.967 -2.184 6.148) 6.814 5.818 ( 3.281 7.452 3.826) 8.997 6.094 ( 0.616 -1.575 2.551) 3.060 6.717 ( -1.421 -1.000 0.537) 1.818 6.947 ( -7.430 0.070 -3.095) 8.049 7.937 ( 23.336 3.400 -1.347) 23.620 8.170 ( 7.741 0.841 -1.317) 7.897 8.396 ( -1.290 1.189 1.662) 2.416 8.954 ( 0.067 15.192 1.040) 15.228 9.680 ( -0.710 -16.987 0.921) 17.027 10.838 ( -6.808 1.541 -2.551) 7.432 14.527 ( 4.744 -5.459 -2.986) 7.824 15.203 ( -7.358 10.257 2.596) 12.888 15.600 ( -13.911 -6.182 -1.028) 15.258 16.084 ( -6.417 -6.115 3.303) 9.460 16.524 ( -8.173 0.778 -2.819) 8.681 16.754 ( 9.550 2.748 3.911) 10.679 17.356 ( 6.578 1.454 1.988) 7.024 18.901 ( 1.189 0.954 1.477) 2.122 18.969 ( 2.741 0.992 -1.115) 3.121 19.160 ( -0.737 -0.441 1.003) 1.321 19.443 ( -1.455 -0.149 -0.265) 1.487 19.909 ( 6.954 0.164 -6.556) 9.559 ======================= Grid point 157 (75/226) ======================= q-point: (-0.09 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.213 ( -23.676 -6.028 10.344) 26.531 1.681 ( -28.514 4.901 8.292) 30.097 3.212 ( -50.655 -15.575 -0.709) 53.000 4.034 ( 12.548 1.808 -1.467) 12.762 4.738 ( 7.348 4.247 -8.425) 11.959 4.919 ( 12.209 0.011 -2.397) 12.442 5.409 ( 1.435 0.584 6.095) 6.289 5.535 ( 10.217 -2.591 -2.775) 10.900 5.952 ( 0.056 6.663 4.224) 7.890 6.082 ( -2.012 -2.992 4.773) 5.982 6.699 ( -1.567 1.083 3.287) 3.799 6.811 ( -6.814 0.262 -1.780) 7.047 8.281 ( 10.328 0.572 -3.084) 10.794 8.358 ( 16.117 -0.212 0.172) 16.119 8.418 ( 3.985 2.153 0.958) 4.629 9.089 ( -1.884 15.502 -0.915) 15.643 9.478 ( -2.974 -17.745 0.582) 18.002 10.703 ( -8.128 0.907 -4.226) 9.206 14.529 ( 2.992 -3.607 -3.325) 5.746 15.128 ( -14.393 6.432 2.841) 16.018 15.334 ( -8.732 -4.640 1.014) 9.940 15.946 ( -4.639 -4.211 -0.761) 6.311 16.405 ( -5.209 1.333 -1.370) 5.548 16.957 ( 8.404 1.890 0.896) 8.661 17.486 ( 5.518 0.895 2.611) 6.170 18.920 ( 0.997 -0.215 -0.516) 1.142 19.036 ( 2.737 2.073 0.078) 3.434 19.151 ( -0.601 -0.118 0.698) 0.928 19.383 ( -3.650 -1.971 -1.825) 4.532 19.972 ( 5.511 0.195 -9.828) 11.270 ======================= Grid point 160 (76/226) ======================= q-point: ( 0.18 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.963 ( -7.156 25.491 6.595) 27.285 1.414 ( -4.468 8.114 26.868) 28.420 2.414 ( -28.532 44.444 7.520) 53.347 4.226 ( 6.108 -10.324 -0.955) 12.034 4.712 ( -0.487 -7.276 -9.136) 11.689 5.119 ( 1.138 1.887 -9.148) 9.409 5.602 ( 4.690 -0.371 -5.070) 6.917 5.760 ( 2.627 -5.568 4.530) 7.644 5.976 ( 8.048 -13.225 10.662) 18.797 6.123 ( 3.032 -4.880 11.117) 12.514 6.714 ( -0.180 -3.339 4.800) 5.850 6.788 ( -5.135 3.595 2.130) 6.621 8.353 ( 3.137 -1.768 -3.432) 4.975 8.393 ( 1.622 -4.328 -2.524) 5.266 8.689 ( 7.089 -13.329 0.091) 15.097 9.169 ( -5.229 -0.889 0.673) 5.346 9.348 ( 5.020 8.682 -0.059) 10.029 10.328 ( -13.197 17.851 -12.650) 25.550 14.673 ( 2.905 1.964 1.842) 3.962 14.781 ( -9.735 8.042 -1.257) 12.689 15.039 ( -1.618 3.026 -4.494) 5.654 15.742 ( -2.621 12.059 -6.987) 14.182 16.395 ( -5.420 -0.760 1.158) 5.595 16.856 ( -4.172 11.285 -6.051) 13.468 17.607 ( 0.257 -0.541 0.972) 1.142 18.858 ( 3.712 -2.954 -3.956) 6.177 18.982 ( -0.420 0.089 -1.366) 1.432 19.100 ( -0.072 -1.743 -0.304) 1.771 19.251 ( -1.739 6.037 -2.279) 6.683 19.966 ( -0.525 -1.686 -5.382) 5.664 ======================= Grid point 161 (77/226) ======================= q-point: ( 0.27 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( 15.200 22.440 8.811) 28.500 1.609 ( 0.478 8.691 23.899) 25.435 2.639 ( -6.422 53.591 4.622) 54.172 4.172 ( 1.035 -12.259 0.839) 12.332 4.561 ( -2.254 -6.713 -8.439) 11.017 4.986 ( -6.569 -4.660 -9.773) 12.664 5.597 ( -1.655 0.371 -5.104) 5.379 5.696 ( -2.112 -11.875 3.287) 12.501 6.079 ( 6.514 -7.549 13.979) 17.171 6.203 ( 4.110 -3.747 6.141) 8.285 6.708 ( 0.266 1.197 1.944) 2.298 6.802 ( 1.968 -0.892 3.488) 4.103 8.313 ( -1.930 -7.211 -3.539) 8.261 8.373 ( 2.116 -0.005 -2.732) 3.456 8.664 ( 0.714 -17.285 0.289) 17.302 8.946 ( -2.618 -3.555 0.024) 4.415 9.579 ( -2.478 13.227 1.196) 13.510 10.301 ( -0.434 17.208 -10.758) 20.299 14.589 ( -10.249 0.780 -0.721) 10.304 14.884 ( 10.644 7.706 0.119) 13.141 15.160 ( 7.352 8.452 -2.148) 11.406 15.777 ( -5.012 15.213 -7.592) 17.725 16.338 ( 0.258 -0.300 1.194) 1.258 16.925 ( 0.892 10.071 -1.651) 10.244 17.610 ( -0.204 0.158 1.382) 1.406 18.868 ( 2.472 -2.785 -4.392) 5.759 18.985 ( 1.630 -0.004 -1.820) 2.443 19.077 ( -0.461 -1.155 -0.946) 1.562 19.272 ( -1.553 5.873 -2.096) 6.426 19.858 ( -3.881 -5.579 -4.082) 7.928 ======================= Grid point 162 (78/226) ======================= q-point: ( 0.36 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.796 ( 3.107 11.437 19.236) 22.594 1.960 ( 17.113 16.455 6.531) 24.622 3.220 ( 10.438 48.756 0.180) 49.861 4.049 ( -3.615 -9.954 3.822) 11.259 4.427 ( 0.201 -8.184 -7.329) 10.988 4.751 ( -7.642 -6.110 -7.672) 12.434 5.482 ( -6.753 -9.931 2.235) 12.215 5.572 ( -1.409 -1.861 -2.496) 3.417 6.168 ( 1.361 -2.981 10.057) 10.577 6.239 ( 1.329 -2.990 2.513) 4.126 6.776 ( 4.420 0.008 1.099) 4.554 6.849 ( 2.488 0.091 2.665) 3.647 8.152 ( -4.413 -10.182 -3.717) 11.703 8.382 ( -2.296 1.702 -0.444) 2.892 8.407 ( -5.129 -16.754 0.519) 17.529 9.029 ( 13.235 -5.605 -2.410) 14.574 9.517 ( -17.890 13.305 1.474) 22.343 10.501 ( 9.691 12.038 -6.029) 16.588 14.436 ( -6.572 -0.911 -1.587) 6.822 15.177 ( 15.326 3.728 -1.335) 15.829 15.361 ( 4.032 12.637 2.040) 13.420 15.784 ( -5.234 13.497 -6.948) 16.057 16.403 ( 5.298 0.698 0.850) 5.411 17.026 ( 1.443 4.439 2.410) 5.253 17.625 ( -0.339 0.427 4.652) 4.684 18.816 ( -2.057 -2.023 -7.101) 7.664 19.004 ( 2.448 -2.008 -2.106) 3.803 19.061 ( 0.002 1.698 -2.725) 3.211 19.282 ( -1.852 4.329 -2.089) 5.151 19.717 ( -2.344 -6.833 -2.397) 7.611 ======================= Grid point 163 (79/226) ======================= q-point: ( 0.45 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.068 ( 5.213 12.165 13.976) 19.248 2.427 ( 10.698 22.088 2.277) 24.648 3.835 ( 16.024 19.963 -2.975) 25.771 3.909 ( -6.971 -1.598 6.330) 9.551 4.304 ( -0.153 -6.303 -7.472) 9.776 4.580 ( -1.512 -3.863 -2.299) 4.743 5.274 ( -6.121 -8.944 0.925) 10.877 5.563 ( 0.273 2.806 -0.900) 2.959 6.107 ( -5.790 -5.731 -2.770) 8.604 6.292 ( 2.890 -0.068 9.745) 10.165 6.800 ( 2.458 -5.711 -1.416) 6.377 6.961 ( 4.694 5.590 1.682) 7.491 7.919 ( -7.311 -13.367 -2.151) 15.387 8.185 ( -2.577 -12.696 0.830) 12.981 8.377 ( -2.450 3.920 0.310) 4.632 9.149 ( 0.453 -1.189 -0.514) 1.372 9.361 ( -5.633 4.669 -0.287) 7.322 10.738 ( 8.247 8.966 -3.068) 12.563 14.333 ( -2.187 -3.000 -1.654) 4.064 15.387 ( 5.940 2.684 -1.213) 6.631 15.593 ( 5.610 14.398 1.547) 15.530 15.814 ( 0.106 9.610 -4.033) 10.423 16.517 ( 5.549 3.021 -0.624) 6.349 17.060 ( -1.512 -2.190 4.192) 4.965 17.650 ( -2.584 -1.351 11.533) 11.895 18.697 ( -3.601 0.650 -11.458) 12.028 18.999 ( 1.178 -2.948 -1.232) 3.405 19.082 ( 1.593 3.227 -4.047) 5.416 19.277 ( -0.986 2.447 -1.787) 3.187 19.632 ( 0.728 -5.838 -0.905) 5.953 ======================= Grid point 164 (80/226) ======================= q-point: ( 0.55 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.370 ( 8.003 11.895 8.684) 16.762 2.751 ( -2.181 27.610 -0.614) 27.703 3.657 ( -14.958 -8.711 2.284) 17.460 4.074 ( 6.481 -10.171 1.493) 12.152 4.423 ( 14.198 6.303 -8.246) 17.588 4.608 ( 4.450 2.094 5.846) 7.639 5.147 ( -1.938 0.600 -2.821) 3.475 5.601 ( 0.750 2.401 -0.374) 2.543 5.873 ( -7.259 -12.543 -4.353) 15.131 6.431 ( 4.750 4.725 7.109) 9.768 6.757 ( 1.793 -7.125 -4.034) 8.382 7.089 ( 3.239 3.755 0.613) 4.997 7.628 ( -11.628 -10.517 0.111) 15.679 8.058 ( -1.729 -6.176 -1.536) 6.594 8.414 ( 1.367 4.521 3.464) 5.857 8.988 ( -18.356 8.191 2.482) 20.253 9.447 ( 13.763 -9.347 -2.418) 16.812 10.912 ( 4.614 6.758 -1.725) 8.363 14.283 ( 1.638 -4.514 -1.342) 4.986 15.452 ( -3.700 8.959 -0.153) 9.694 15.781 ( 5.248 6.470 -3.366) 8.985 15.960 ( 6.334 8.131 1.012) 10.356 16.641 ( 5.116 5.132 -1.540) 7.408 16.974 ( -5.730 -7.078 4.071) 9.975 17.591 ( -9.414 -6.013 13.375) 17.426 18.631 ( 1.176 4.377 -10.127) 11.095 18.978 ( 0.538 -2.787 -1.196) 3.080 19.129 ( 2.294 3.001 -2.478) 4.518 19.286 ( 0.575 2.670 -2.082) 3.434 19.606 ( 2.675 -5.009 -0.403) 5.693 ======================= Grid point 165 (81/226) ======================= q-point: ( 0.64 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.604 ( 0.115 9.256 2.384) 9.559 2.915 ( -10.027 27.535 0.770) 29.314 3.307 ( -13.499 -8.092 2.595) 15.951 4.126 ( 9.366 -6.483 -0.238) 11.393 4.527 ( 1.288 -5.286 -3.052) 6.238 4.776 ( 7.958 -1.228 6.203) 10.164 5.250 ( 8.546 10.363 -2.692) 13.700 5.589 ( -1.078 -8.679 -2.361) 9.059 5.653 ( 0.386 -6.778 -1.826) 7.030 6.560 ( -1.836 1.332 -3.009) 3.768 6.675 ( 1.696 -5.949 -1.853) 6.458 7.131 ( -0.148 -0.377 1.539) 1.592 7.380 ( -9.793 0.139 2.333) 10.068 7.982 ( -0.876 -1.931 -2.632) 3.380 8.531 ( 2.856 3.310 3.382) 5.528 8.811 ( -12.229 10.266 3.555) 16.357 9.548 ( 11.951 -13.187 -1.927) 17.901 11.006 ( 0.687 4.854 -1.259) 5.061 14.283 ( 4.548 -4.899 -1.220) 6.795 15.456 ( -7.149 11.558 -0.246) 13.593 15.902 ( 4.958 2.819 -1.372) 5.866 16.126 ( 4.376 5.635 -0.969) 7.200 16.754 ( -0.143 -1.424 -0.865) 1.673 16.809 ( -3.929 -2.275 5.261) 6.949 17.380 ( -12.499 -7.805 7.271) 16.432 18.696 ( 4.360 5.054 -3.435) 7.507 18.950 ( 0.151 -2.477 -1.286) 2.795 19.177 ( 1.058 1.151 0.402) 1.615 19.334 ( 2.691 4.601 -2.972) 6.103 19.616 ( 4.569 -4.468 -1.250) 6.511 ======================= Grid point 166 (82/226) ======================= q-point: (-0.27 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.495 ( -18.192 -1.078 -0.303) 18.227 2.838 ( -23.348 20.362 2.029) 31.046 3.308 ( 9.428 3.521 4.958) 11.219 4.228 ( 7.700 -5.147 -5.035) 10.542 4.424 ( -1.756 -4.324 1.446) 4.886 4.891 ( 9.151 -9.565 -1.185) 13.291 5.397 ( -1.334 -2.072 -2.436) 3.465 5.564 ( 5.358 3.115 6.471) 8.961 5.679 ( 5.596 -0.009 -1.710) 5.852 6.276 ( -17.006 -4.635 -7.343) 19.095 6.712 ( 1.787 -1.143 1.660) 2.694 7.145 ( -0.514 0.474 -1.898) 2.023 7.357 ( 3.421 4.576 4.625) 7.351 7.971 ( 2.857 -0.649 -2.451) 3.820 8.516 ( -5.149 -0.242 0.773) 5.212 8.890 ( 1.778 13.789 3.697) 14.386 9.564 ( 7.521 -15.237 -1.436) 17.052 11.018 ( -3.006 3.193 -1.241) 4.558 14.322 ( 6.011 -4.057 -1.719) 7.453 15.442 ( -7.224 10.778 0.195) 12.977 15.944 ( -2.929 0.194 -0.573) 2.990 16.207 ( 1.403 1.940 -2.819) 3.699 16.594 ( -4.179 -8.268 6.989) 11.605 16.859 ( -5.040 4.546 1.157) 6.886 17.188 ( -1.976 -5.032 2.715) 6.049 18.810 ( 4.145 4.246 0.592) 5.963 18.922 ( 0.229 -2.054 -1.573) 2.597 19.187 ( -0.624 -0.388 1.514) 1.683 19.416 ( 2.639 3.520 -1.653) 4.700 19.662 ( 6.685 -2.428 -4.231) 8.276 ======================= Grid point 167 (83/226) ======================= q-point: (-0.18 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.078 ( -25.226 -4.276 2.651) 25.723 2.624 ( -26.181 15.362 4.027) 30.621 3.551 ( 11.643 1.850 3.717) 12.361 4.148 ( -1.593 -11.955 -0.800) 12.087 4.513 ( 10.095 0.736 -2.664) 10.467 4.855 ( -0.870 -8.742 -9.688) 13.078 5.290 ( -4.867 2.802 -5.212) 7.662 5.599 ( -10.922 -0.231 8.340) 13.744 5.815 ( 7.046 6.097 3.887) 10.096 6.062 ( 0.050 -2.036 0.506) 2.098 6.728 ( 0.252 -0.190 2.121) 2.144 7.069 ( -6.691 1.520 -2.712) 7.378 7.612 ( 17.371 3.076 2.263) 17.786 8.035 ( 6.509 -0.411 -1.894) 6.792 8.440 ( -2.916 -0.912 0.099) 3.057 9.074 ( 2.774 10.269 1.152) 10.699 9.496 ( 2.402 -13.024 -1.445) 13.323 10.957 ( -5.986 1.926 -1.511) 6.467 14.379 ( 5.573 -2.254 -2.747) 6.610 15.424 ( -5.982 7.461 1.039) 9.619 15.785 ( -13.017 -2.461 -0.050) 13.248 16.142 ( -5.431 -3.523 -1.734) 6.701 16.609 ( 3.209 -1.528 4.604) 5.816 16.739 ( -7.337 1.769 2.501) 7.951 17.252 ( 7.488 -0.962 2.781) 8.045 18.896 ( 0.328 -0.748 -0.324) 0.879 18.926 ( 3.736 2.661 0.042) 4.587 19.175 ( -0.933 -0.981 1.721) 2.189 19.448 ( 0.021 -0.373 -0.884) 0.959 19.744 ( 7.411 0.912 -7.918) 10.883 ======================= Grid point 168 (84/226) ======================= q-point: (-0.09 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.646 ( -24.593 -1.190 8.029) 25.898 2.265 ( -29.229 2.212 6.125) 29.946 3.726 ( -3.372 -2.932 3.601) 5.739 3.916 ( -11.010 -0.743 -1.716) 11.168 4.648 ( 5.690 0.707 -10.556) 12.013 4.700 ( 3.148 0.213 -4.708) 5.668 5.322 ( 7.494 2.426 -4.080) 8.871 5.483 ( -4.387 -2.254 6.533) 8.186 6.004 ( 4.291 4.384 6.326) 8.812 6.075 ( 0.597 -3.730 3.459) 5.123 6.751 ( -0.317 1.656 3.847) 4.200 6.946 ( -8.000 2.040 -1.230) 8.347 7.983 ( 21.030 2.279 -0.810) 21.168 8.157 ( 8.893 0.130 -0.288) 8.899 8.401 ( -0.027 -1.767 -0.755) 1.922 9.141 ( 2.150 -9.578 0.302) 9.821 9.427 ( -2.612 5.684 -2.670) 6.802 10.840 ( -8.170 1.214 -2.311) 8.577 14.432 ( 3.948 0.367 -3.624) 5.371 15.385 ( -4.745 0.098 1.447) 4.962 15.505 ( -17.519 0.095 2.445) 17.689 15.991 ( -6.148 -2.320 -3.775) 7.578 16.529 ( -7.666 1.303 -0.441) 7.788 16.842 ( 8.087 -0.123 6.449) 10.345 17.393 ( 7.463 -0.879 3.564) 8.317 18.886 ( 1.113 -1.511 -2.032) 2.766 19.012 ( 2.642 2.094 0.519) 3.411 19.162 ( -0.565 -0.735 1.640) 1.884 19.402 ( -2.503 -2.063 -3.055) 4.456 19.828 ( 6.048 2.594 -9.670) 11.697 ======================= Grid point 171 (85/226) ======================= q-point: ( 0.18 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( -14.393 22.026 6.561) 27.117 1.753 ( -8.702 11.845 17.810) 23.092 3.320 ( -29.587 28.742 1.230) 41.268 4.008 ( 6.739 -10.079 -0.543) 12.136 4.630 ( -0.236 1.383 -4.935) 5.131 5.021 ( 5.827 -0.466 -5.870) 8.285 5.496 ( 5.067 -0.237 -2.446) 5.632 5.627 ( 11.107 -3.776 3.489) 12.239 5.822 ( 0.177 -9.561 4.029) 10.376 6.097 ( -0.891 -7.099 7.068) 10.057 6.719 ( -2.223 -3.640 2.317) 4.854 6.951 ( -6.486 4.922 2.607) 8.549 8.231 ( 3.901 -5.360 -4.021) 7.753 8.293 ( 4.298 -8.320 -1.647) 9.509 8.461 ( 5.701 -8.517 2.207) 10.484 9.057 ( 18.145 9.899 -2.195) 20.786 9.493 ( -13.649 -2.194 1.016) 13.861 10.606 ( -9.160 11.361 -6.281) 15.888 14.650 ( 0.723 -1.866 0.549) 2.075 14.949 ( 0.581 10.935 -3.618) 11.532 15.225 ( -17.929 4.044 -1.346) 18.428 15.820 ( 0.298 7.327 -2.602) 7.781 16.499 ( -4.639 2.433 1.206) 5.375 16.947 ( -1.425 1.171 0.597) 1.938 17.584 ( 2.856 -3.092 4.999) 6.535 18.743 ( 2.787 -1.911 -6.630) 7.441 18.992 ( -1.318 0.231 -0.918) 1.623 19.081 ( -0.246 -2.108 -0.654) 2.221 19.320 ( -1.235 5.516 -3.246) 6.519 19.902 ( 1.870 -1.763 -5.977) 6.506 ======================= Grid point 172 (86/226) ======================= q-point: ( 0.27 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.571 ( -4.671 25.966 6.041) 27.066 1.861 ( -4.517 10.935 19.101) 22.468 3.302 ( -11.809 39.497 0.541) 41.228 3.994 ( 4.945 -12.630 0.736) 13.583 4.563 ( -5.705 1.328 -4.575) 7.432 4.953 ( -2.628 -7.463 -8.413) 11.549 5.541 ( 2.751 -1.811 -4.254) 5.380 5.684 ( -4.022 -5.008 1.860) 6.687 5.896 ( 14.569 -5.985 7.038) 17.252 6.092 ( 4.199 -8.688 8.827) 13.078 6.688 ( 0.986 -3.130 2.052) 3.870 6.892 ( -6.399 4.763 1.498) 8.116 8.212 ( 1.712 -10.180 -2.633) 10.654 8.250 ( 6.278 -8.726 -3.456) 11.292 8.499 ( 2.685 -3.686 1.860) 4.925 9.081 ( -13.973 -7.110 1.289) 15.731 9.570 ( 14.824 12.697 -1.558) 19.580 10.519 ( -10.431 12.381 -6.217) 17.342 14.663 ( 4.080 -2.485 -0.663) 4.823 14.950 ( -14.742 6.319 -2.317) 16.206 15.155 ( 5.664 14.531 -0.783) 15.615 15.913 ( 1.124 10.768 -2.821) 11.188 16.416 ( -7.141 2.310 0.425) 7.517 16.974 ( 1.256 2.864 1.550) 3.491 17.622 ( 1.067 -1.130 5.173) 5.402 18.746 ( 3.900 -2.087 -6.715) 8.041 18.975 ( -0.579 0.160 -0.683) 0.909 19.057 ( 0.261 -1.912 -0.445) 1.981 19.338 ( -1.084 5.616 -3.155) 6.532 19.832 ( -2.071 -5.145 -5.431) 7.762 ======================= Grid point 173 (87/226) ======================= q-point: ( 0.36 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.845 ( 9.645 16.367 4.439) 19.509 2.020 ( -1.401 10.795 16.344) 19.637 3.639 ( -0.276 43.538 -2.563) 43.614 3.956 ( 4.215 -11.676 3.978) 13.036 4.430 ( -8.435 2.198 -3.637) 9.445 4.750 ( -5.399 -8.564 -7.242) 12.448 5.476 ( -2.843 -11.390 0.619) 11.756 5.576 ( -3.068 1.431 -2.911) 4.465 6.106 ( 10.438 -5.301 3.902) 12.340 6.135 ( 3.858 -6.789 8.888) 11.831 6.704 ( 2.633 -2.714 0.820) 3.869 6.876 ( -1.550 4.930 1.817) 5.478 8.074 ( -1.450 -13.988 -2.413) 14.269 8.248 ( 4.434 -13.464 -1.973) 14.312 8.458 ( -4.616 0.022 0.918) 4.706 8.868 ( -1.670 -3.902 -0.767) 4.313 9.844 ( -0.805 12.084 0.683) 12.130 10.481 ( -0.754 10.734 -5.148) 11.928 14.599 ( -10.834 0.610 0.023) 10.852 14.932 ( 10.943 1.126 -4.749) 11.982 15.415 ( 5.966 15.455 2.438) 16.745 15.999 ( -4.173 14.010 -4.356) 15.253 16.361 ( -0.531 1.330 0.926) 1.705 17.038 ( 2.118 0.401 2.834) 3.561 17.668 ( 0.536 0.696 7.790) 7.839 18.738 ( 2.318 -2.133 -9.126) 9.654 18.962 ( -0.009 -1.349 -0.113) 1.353 19.051 ( 0.723 0.193 -1.422) 1.606 19.347 ( -1.955 4.839 -3.834) 6.476 19.694 ( -3.608 -6.283 -2.765) 7.755 ======================= Grid point 174 (88/226) ======================= q-point: ( 0.45 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.208 ( 2.552 10.446 11.415) 15.682 2.279 ( 20.649 12.906 2.790) 24.510 3.835 ( -0.170 -3.235 -0.199) 3.245 4.074 ( 0.412 13.825 -0.169) 13.832 4.329 ( -7.700 15.299 -2.976) 17.384 4.567 ( -2.568 -4.651 -3.242) 6.224 5.290 ( -5.703 -10.149 2.745) 11.961 5.563 ( 0.885 1.965 -3.023) 3.712 6.077 ( -1.399 -8.113 -4.809) 9.534 6.272 ( 5.812 -2.075 12.305) 13.766 6.708 ( 1.449 -3.796 -1.757) 4.427 6.955 ( 2.988 4.704 2.449) 6.087 7.875 ( -3.427 -14.843 -0.518) 15.242 8.088 ( -2.205 -14.431 -0.853) 14.624 8.447 ( -1.080 4.229 0.148) 4.367 8.896 ( 9.210 -4.775 -2.861) 10.762 9.776 ( -18.120 10.567 2.017) 21.073 10.650 ( 9.383 8.240 -3.011) 12.845 14.418 ( -9.674 0.181 -0.277) 9.679 15.152 ( 15.770 -0.968 -3.995) 16.297 15.676 ( 5.424 13.629 3.932) 15.186 15.993 ( -8.440 13.637 -4.489) 16.654 16.435 ( 5.981 2.187 -0.504) 6.388 17.062 ( 0.249 -3.841 2.875) 4.804 17.736 ( -0.337 -0.649 12.802) 12.823 18.672 ( -1.045 0.239 -13.226) 13.269 18.948 ( 0.592 -2.616 0.321) 2.702 19.069 ( 1.234 2.215 -2.475) 3.543 19.321 ( -2.565 3.199 -4.210) 5.877 19.588 ( -1.480 -4.898 1.019) 5.217 ======================= Grid point 175 (89/226) ======================= q-point: ( 0.55 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.436 ( 4.741 12.117 7.875) 15.210 2.792 ( 21.138 13.384 0.682) 25.028 3.732 ( -3.426 -12.018 1.170) 12.551 4.017 ( -6.057 -2.264 -0.848) 6.522 4.374 ( -3.330 13.594 -7.724) 15.986 4.617 ( 1.612 7.143 6.171) 9.576 5.167 ( -1.438 -1.552 0.560) 2.189 5.590 ( 1.638 -0.017 -1.960) 2.554 5.854 ( -8.667 -11.974 -6.280) 16.061 6.432 ( 5.261 2.756 9.871) 11.521 6.660 ( -0.068 -4.510 -4.029) 6.048 7.055 ( 3.590 0.049 1.309) 3.821 7.689 ( -5.358 -7.334 0.495) 9.096 7.957 ( 2.462 -10.739 -0.642) 11.036 8.472 ( -1.094 4.618 0.930) 4.836 9.017 ( 12.412 -6.222 -3.128) 14.232 9.533 ( -21.259 7.603 2.716) 22.740 10.861 ( 7.830 6.001 -1.421) 9.967 14.284 ( -5.378 -0.884 -0.079) 5.451 15.378 ( 13.178 -0.589 -1.888) 13.326 15.884 ( -0.839 12.792 1.016) 12.860 15.978 ( -1.282 9.370 -1.807) 9.629 16.569 ( 6.850 3.395 -2.098) 7.928 16.997 ( -3.116 -7.167 2.561) 8.224 17.735 ( -5.703 -7.023 13.241) 16.036 18.605 ( 0.136 5.691 -12.739) 13.953 18.933 ( 0.655 -3.001 0.370) 3.094 19.108 ( 1.955 2.868 -2.140) 4.077 19.301 ( -0.476 3.072 -3.247) 4.495 19.545 ( -0.206 -3.848 2.510) 4.599 ======================= Grid point 176 (90/226) ======================= q-point: ( 0.64 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.677 ( 4.542 11.392 4.682) 13.128 3.184 ( 6.465 11.243 0.417) 12.976 3.509 ( -10.406 -2.529 -2.459) 10.988 3.949 ( 2.345 -4.962 3.314) 6.411 4.433 ( 1.859 6.219 -4.694) 8.010 4.686 ( 1.788 -5.354 5.529) 7.901 5.248 ( 4.162 11.191 -0.372) 11.945 5.477 ( -4.680 -15.395 -4.579) 16.730 5.634 ( -2.367 -1.642 -1.358) 3.185 6.564 ( -1.616 -1.207 -5.421) 5.784 6.606 ( 3.600 1.034 5.479) 6.637 7.082 ( 3.073 -5.991 0.273) 6.739 7.553 ( -7.480 1.237 1.431) 7.715 7.931 ( 2.893 -5.049 -1.588) 6.032 8.530 ( 2.095 3.715 1.652) 4.574 9.125 ( 1.858 1.085 -0.240) 2.165 9.282 ( -8.997 -2.518 0.947) 9.391 11.006 ( 4.006 4.040 -0.660) 5.728 14.218 ( -1.116 -1.197 0.009) 1.637 15.551 ( 6.358 1.890 -0.077) 6.633 15.914 ( -3.254 9.188 -2.245) 10.003 16.115 ( 4.219 6.603 0.105) 7.836 16.688 ( 4.815 -0.372 -2.519) 5.447 16.870 ( -4.194 -5.649 4.337) 8.265 17.546 ( -11.740 -9.667 5.468) 16.161 18.659 ( 3.805 7.061 -5.142) 9.527 18.915 ( 0.360 -2.864 0.241) 2.897 19.160 ( 2.130 1.466 -0.644) 2.664 19.335 ( 1.708 5.410 -2.991) 6.413 19.524 ( 0.675 -3.948 2.043) 4.497 ======================= Grid point 177 (91/226) ======================= q-point: (-0.27 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.764 ( -10.656 5.264 0.887) 11.918 3.182 ( 1.371 -7.211 1.491) 7.490 3.452 ( -13.248 23.529 0.758) 27.013 3.999 ( 7.243 -8.061 -1.024) 10.885 4.449 ( -2.787 0.364 1.009) 2.986 4.653 ( 5.068 -13.323 -0.755) 14.274 5.328 ( 5.436 -0.700 -2.922) 6.211 5.518 ( 8.942 7.709 5.046) 12.840 5.580 ( -0.068 -2.565 -2.396) 3.511 6.424 ( -8.276 -1.156 -6.532) 10.606 6.696 ( 1.169 1.738 2.567) 3.313 7.077 ( 4.227 -6.934 0.626) 8.145 7.481 ( -5.947 4.575 3.071) 8.107 7.920 ( 1.191 -1.281 -2.075) 2.713 8.575 ( -1.609 -0.591 0.553) 1.801 9.056 ( -8.051 5.762 3.862) 10.627 9.286 ( 9.835 -6.327 -3.022) 12.078 11.068 ( -0.019 2.248 -0.442) 2.291 14.220 ( 2.313 -0.345 -0.513) 2.395 15.609 ( -2.415 3.499 -0.276) 4.260 15.966 ( 1.159 4.053 0.246) 4.223 16.208 ( 0.766 4.576 -2.846) 5.443 16.610 ( -3.834 -9.014 2.213) 10.042 16.905 ( 3.893 1.871 4.364) 6.140 17.263 ( -11.687 -7.272 -0.397) 13.771 18.779 ( 4.571 4.850 -0.646) 6.696 18.893 ( 0.063 -2.143 0.038) 2.145 19.190 ( 0.820 -0.598 0.334) 1.068 19.417 ( 1.410 5.762 -0.770) 5.982 19.523 ( 3.789 -2.528 -1.864) 4.921 ======================= Grid point 178 (92/226) ======================= q-point: (-0.18 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.474 ( -22.174 -0.301 1.446) 22.223 3.140 ( -13.760 2.631 0.941) 14.041 3.448 ( 0.537 1.597 3.825) 4.180 3.979 ( 4.803 -8.240 -3.415) 10.130 4.434 ( -0.244 2.013 2.803) 3.460 4.678 ( 8.607 -2.749 -5.146) 10.398 5.375 ( -3.968 2.322 -3.145) 5.570 5.629 ( 9.748 -1.918 1.795) 10.096 5.749 ( 6.613 3.122 0.989) 7.379 6.215 ( -13.613 5.140 0.319) 14.554 6.734 ( 0.677 1.413 2.023) 2.559 7.096 ( 3.557 -3.920 -0.919) 5.373 7.484 ( 1.727 1.749 2.956) 3.844 7.944 ( 3.173 0.757 -0.557) 3.309 8.484 ( -5.044 -2.929 -0.372) 5.845 9.029 ( 2.645 -9.311 1.367) 9.775 9.401 ( 4.558 8.213 -2.851) 9.816 11.048 ( -3.544 0.776 -0.529) 3.666 14.277 ( 4.157 1.557 -1.686) 4.748 15.555 ( -5.104 -0.768 0.186) 5.165 15.960 ( -6.538 1.536 0.299) 6.722 16.188 ( -3.927 1.034 -4.632) 6.160 16.552 ( 2.981 -4.046 7.273) 8.840 16.918 ( -8.930 -0.450 0.940) 8.990 17.127 ( 5.301 -2.995 1.891) 6.375 18.853 ( 1.533 -2.246 -1.720) 3.217 18.913 ( 2.497 3.770 1.506) 4.766 19.185 ( -0.324 -1.352 0.840) 1.624 19.440 ( -0.730 -0.978 0.401) 1.284 19.607 ( 6.421 4.265 -6.100) 9.830 ======================= Grid point 179 (93/226) ======================= q-point: (-0.09 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.103 ( -23.505 2.327 5.316) 24.211 2.726 ( -25.901 -11.809 1.829) 28.525 3.570 ( 11.380 -4.918 2.431) 12.633 4.047 ( 3.596 7.348 0.343) 8.188 4.483 ( 3.101 -0.814 0.342) 3.224 4.750 ( -0.629 6.883 -9.636) 11.858 5.281 ( -3.337 1.341 -4.958) 6.125 5.614 ( -8.487 -1.917 1.209) 8.784 5.906 ( 9.983 -1.829 2.712) 10.505 6.145 ( -5.501 5.159 7.486) 10.626 6.783 ( 1.108 2.600 2.993) 4.116 7.074 ( -4.134 0.780 -0.511) 4.238 7.650 ( 17.037 -1.955 -0.141) 17.149 8.039 ( 6.081 1.966 1.282) 6.518 8.381 ( -2.359 -3.882 -1.295) 4.724 8.944 ( 2.566 -17.362 -0.097) 17.551 9.552 ( 0.741 15.411 -3.246) 15.767 10.963 ( -6.250 0.030 -0.895) 6.314 14.365 ( 4.212 4.208 -2.956) 6.647 15.426 ( -5.273 -8.370 1.263) 9.973 15.811 ( -12.638 3.914 0.997) 13.268 16.067 ( -6.931 0.864 -5.941) 9.170 16.633 ( -0.436 -1.140 4.370) 4.537 16.789 ( -1.003 -0.999 4.346) 4.571 17.258 ( 8.807 -2.532 4.418) 10.173 18.833 ( 0.914 -2.555 -2.882) 3.958 18.996 ( 2.131 2.307 0.777) 3.235 19.172 ( -0.368 -0.985 1.121) 1.537 19.400 ( -1.639 -1.301 -2.704) 3.419 19.719 ( 5.327 4.892 -6.661) 9.832 ======================= Grid point 182 (94/226) ======================= q-point: ( 0.18 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.920 ( -11.518 22.075 5.443) 25.487 2.115 ( -8.209 14.138 10.963) 19.684 3.692 ( 8.084 -10.304 2.670) 13.366 3.995 ( -19.758 4.261 -5.315) 20.899 4.767 ( -6.565 13.710 -5.730) 16.245 4.859 ( 8.874 0.457 -0.236) 8.889 5.302 ( 10.983 -3.882 -1.037) 11.695 5.518 ( -0.227 -0.670 0.981) 1.209 5.782 ( -1.612 -6.280 1.635) 6.687 6.113 ( -4.612 -5.083 5.945) 9.080 6.744 ( -4.424 -4.678 0.925) 6.505 7.111 ( -4.130 5.340 1.476) 6.910 8.004 ( 12.525 -17.876 1.958) 21.915 8.088 ( 3.053 -6.077 -4.401) 8.100 8.399 ( 2.277 4.130 1.576) 4.972 8.808 ( 18.138 7.393 -3.413) 19.882 9.705 ( -12.999 -3.704 1.807) 13.637 10.799 ( -5.413 8.363 -3.613) 10.597 14.615 ( -1.483 -6.434 -0.472) 6.620 15.005 ( 3.273 12.594 -3.356) 13.438 15.598 ( -18.712 5.755 -1.084) 19.607 15.875 ( -0.824 6.103 -0.407) 6.172 16.605 ( -2.665 5.242 0.409) 5.894 16.941 ( 1.913 -4.741 5.095) 7.218 17.494 ( 6.695 -6.565 8.519) 12.669 18.671 ( 0.093 0.864 -7.045) 7.099 19.021 ( -1.437 0.858 0.234) 1.691 19.063 ( -1.271 -2.276 -1.706) 3.116 19.358 ( -0.097 4.334 -4.665) 6.368 19.818 ( 1.665 -1.996 -4.451) 5.154 ======================= Grid point 183 (95/226) ======================= q-point: ( 0.27 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.012 ( -10.954 22.915 8.506) 26.785 2.204 ( -8.910 19.067 9.138) 22.944 3.703 ( -0.311 2.452 2.646) 3.620 3.813 ( -1.538 0.305 -3.223) 3.584 4.713 ( -4.557 3.957 -8.348) 10.301 4.890 ( -5.086 1.046 -1.395) 5.376 5.470 ( 1.453 -1.282 -2.794) 3.400 5.556 ( 17.950 -8.254 2.512) 19.916 5.721 ( -2.054 -1.344 -0.813) 2.586 6.042 ( -1.641 -6.352 10.328) 12.236 6.662 ( -0.877 -3.494 1.097) 3.765 7.065 ( -6.791 4.053 0.653) 7.935 7.987 ( 5.864 -17.533 1.648) 18.561 8.065 ( 4.314 -6.517 -4.125) 8.838 8.484 ( 1.751 3.726 1.408) 4.351 9.154 ( 6.910 0.243 -0.502) 6.933 9.471 ( -1.679 1.820 -1.241) 2.770 10.760 ( -7.778 9.268 -3.336) 12.550 14.542 ( 2.812 -5.862 -2.480) 6.958 15.198 ( -0.015 9.983 -0.507) 9.996 15.342 ( -15.155 13.044 -0.962) 20.019 15.952 ( 2.257 7.293 -0.648) 7.662 16.588 ( -6.780 5.698 0.813) 8.894 16.955 ( 2.264 -3.292 3.457) 5.283 17.585 ( 5.065 -5.115 9.231) 11.706 18.651 ( 1.223 1.202 -7.779) 7.965 18.994 ( -1.847 -0.234 -0.647) 1.971 19.032 ( 0.268 -1.168 -0.115) 1.204 19.376 ( 0.080 4.394 -4.594) 6.358 19.770 ( -0.318 -4.861 -4.777) 6.823 ======================= Grid point 184 (96/226) ======================= q-point: ( 0.36 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.044 ( -10.738 14.934 4.764) 19.001 2.286 ( -6.319 15.754 9.271) 19.341 3.758 ( 5.921 -13.129 2.868) 14.685 3.932 ( 4.251 24.292 -0.925) 24.678 4.612 ( -2.755 -0.640 -8.719) 9.166 4.756 ( -11.130 4.018 -0.132) 11.834 5.403 ( -0.608 -4.857 -5.777) 7.572 5.656 ( -4.917 1.073 -1.126) 5.157 5.815 ( 16.637 -7.617 1.336) 18.346 6.065 ( 3.360 -5.652 13.583) 15.090 6.652 ( 1.527 -1.709 0.752) 2.412 6.996 ( -5.453 4.144 0.257) 6.854 7.887 ( 2.278 -18.391 0.630) 18.542 8.050 ( 4.188 -8.023 -3.128) 9.575 8.535 ( -1.313 3.349 1.148) 3.776 8.942 ( -11.919 -7.746 0.415) 14.221 9.780 ( 17.306 10.711 -2.723) 20.533 10.672 ( -9.988 7.972 -2.184) 12.964 14.583 ( 8.215 -3.067 -2.952) 9.252 15.002 ( -15.914 2.386 -1.010) 16.123 15.510 ( 3.338 18.317 1.483) 18.678 16.079 ( 4.123 8.433 -2.355) 9.678 16.501 ( -9.675 5.289 1.311) 11.104 16.992 ( 3.298 -3.405 2.846) 5.529 17.678 ( 4.046 -3.305 10.649) 11.861 18.640 ( 1.426 1.364 -9.408) 9.613 18.957 ( -0.850 -2.076 0.326) 2.267 19.037 ( 0.456 1.004 -0.576) 1.245 19.388 ( -0.540 3.930 -5.106) 6.466 19.668 ( -2.167 -5.825 -2.875) 6.847 ======================= Grid point 185 (97/226) ======================= q-point: ( 0.45 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.099 ( 5.144 6.338 2.136) 8.438 2.416 ( -1.722 15.155 6.951) 16.762 3.720 ( 3.131 -12.842 1.704) 13.328 4.176 ( -0.370 9.186 0.065) 9.194 4.517 ( -0.486 -7.681 -2.746) 8.172 4.708 ( -7.215 27.674 -3.858) 28.858 5.298 ( -3.557 -4.852 -2.392) 6.474 5.578 ( -3.825 1.125 -1.377) 4.218 5.937 ( 6.498 -7.651 -2.852) 10.435 6.198 ( 7.712 -3.355 14.182) 16.488 6.662 ( 0.489 -1.006 -0.747) 1.345 6.984 ( -0.667 2.921 0.780) 3.096 7.720 ( 0.508 -19.157 1.134) 19.197 7.983 ( -0.440 -9.772 -2.391) 10.070 8.521 ( -3.264 4.283 0.043) 5.385 8.776 ( -0.552 -4.090 -1.563) 4.413 10.052 ( 1.061 8.580 -0.515) 8.661 10.613 ( -1.163 6.388 -1.357) 6.633 14.612 ( -7.558 0.314 0.410) 7.575 14.881 ( 7.197 -0.305 -3.839) 8.162 15.744 ( 4.022 13.574 2.733) 14.418 16.204 ( -0.086 11.273 -5.050) 12.353 16.413 ( -4.531 2.513 1.883) 5.513 17.013 ( 1.886 -5.090 2.235) 5.870 17.769 ( 2.794 -4.523 12.121) 13.236 18.615 ( 0.173 3.216 -11.652) 12.089 18.928 ( -0.366 -2.579 1.251) 2.890 19.059 ( 0.884 2.016 -1.002) 2.419 19.366 ( -2.221 3.071 -6.466) 7.495 19.580 ( -1.405 -4.191 1.765) 4.760 ======================= Grid point 186 (98/226) ======================= q-point: ( 0.55 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.373 ( 18.684 1.647 2.056) 18.868 2.620 ( 6.258 14.709 3.370) 16.336 3.620 ( 0.155 -14.117 -0.811) 14.141 4.135 ( -7.335 1.397 1.437) 7.604 4.450 ( 0.422 -1.754 -1.027) 2.076 4.891 ( -7.818 27.995 -3.495) 29.275 5.175 ( -2.703 -4.057 1.423) 5.079 5.543 ( 0.048 -1.288 -2.077) 2.445 5.855 ( -4.928 -6.937 -4.186) 9.483 6.399 ( 8.411 -0.170 12.653) 15.195 6.630 ( -1.779 -1.083 -2.778) 3.471 6.992 ( 0.942 -4.638 -0.383) 4.748 7.620 ( 5.323 -10.091 2.851) 11.760 7.842 ( -3.101 -7.650 -2.600) 8.654 8.539 ( -0.869 4.928 -0.155) 5.007 8.778 ( 6.549 -3.697 -3.189) 8.169 9.962 ( -17.287 5.805 1.770) 18.322 10.755 ( 9.216 4.616 -0.849) 10.343 14.437 ( -11.322 1.279 1.210) 11.458 15.086 ( 16.606 -1.212 -2.793) 16.883 15.941 ( 4.449 8.402 3.033) 9.979 16.191 ( -9.359 10.439 -3.735) 14.509 16.466 ( 6.292 1.975 -1.686) 6.807 16.975 ( -0.916 -6.418 1.678) 6.697 17.781 ( -1.414 -9.589 8.980) 13.213 18.599 ( 0.037 7.089 -9.928) 12.199 18.908 ( -0.112 -2.571 1.700) 3.085 19.094 ( 1.403 1.949 -0.686) 2.497 19.325 ( -1.442 3.588 -5.631) 6.831 19.552 ( -0.948 -2.211 4.590) 5.182 ======================= Grid point 187 (99/226) ======================= q-point: ( 0.64 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.678 ( 11.236 4.133 2.867) 12.311 2.994 ( 20.484 7.438 1.117) 21.821 3.446 ( -1.325 -13.907 -3.650) 14.439 4.039 ( -7.325 3.712 2.427) 8.563 4.481 ( 2.734 1.915 -1.253) 3.565 4.815 ( -16.646 7.514 -0.690) 18.276 5.249 ( 5.895 5.414 1.659) 8.174 5.455 ( -6.543 -5.104 -2.058) 8.549 5.671 ( -5.395 -2.422 -1.618) 6.131 6.559 ( -2.784 -1.066 -3.333) 4.472 6.599 ( 6.536 0.386 10.130) 12.062 6.931 ( 2.440 -9.086 -3.524) 10.047 7.678 ( -3.108 3.689 1.712) 5.118 7.753 ( 7.595 -8.268 -1.419) 11.317 8.563 ( -0.918 3.913 -0.655) 4.073 8.889 ( 11.554 -2.263 -3.243) 12.212 9.674 ( -21.973 2.903 3.137) 22.385 10.938 ( 7.588 2.688 -0.148) 8.051 14.297 ( -7.311 1.477 1.269) 7.566 15.347 ( 15.481 -0.756 -0.688) 15.514 16.085 ( 0.191 4.341 2.225) 4.882 16.111 ( -3.846 6.370 -2.803) 7.952 16.578 ( 5.640 0.570 -3.747) 6.795 16.892 ( -2.444 -4.982 2.443) 6.063 17.627 ( -7.212 -11.158 1.143) 13.335 18.654 ( 2.126 7.442 -3.597) 8.535 18.892 ( -0.112 -2.182 1.598) 2.706 19.131 ( 1.778 0.123 -0.185) 1.792 19.341 ( 1.256 5.894 -4.307) 7.407 19.541 ( -2.027 -1.140 5.447) 5.923 ======================= Grid point 188 (100/226) ======================= q-point: (-0.27 -0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.895 ( 9.116 2.727 1.779) 9.680 3.097 ( -8.928 -6.778 -2.599) 11.507 3.520 ( 18.338 -6.201 0.173) 19.359 3.996 ( -5.851 9.191 0.343) 10.901 4.466 ( -0.275 -14.680 -0.331) 14.687 4.625 ( -11.918 13.496 -1.350) 18.056 5.255 ( -0.342 -2.927 0.397) 2.974 5.495 ( 5.608 10.307 2.489) 11.995 5.584 ( -3.031 -2.598 -0.421) 4.014 6.490 ( -3.169 1.399 -2.648) 4.360 6.731 ( 3.431 -1.417 8.196) 8.997 6.876 ( 4.200 -8.061 -5.727) 10.743 7.618 ( -4.873 1.698 -0.774) 5.218 7.844 ( 5.491 -1.290 0.261) 5.646 8.583 ( 0.290 0.911 -0.599) 1.128 9.050 ( 8.470 -1.978 -3.274) 9.293 9.362 ( -16.500 3.477 3.721) 17.268 11.052 ( 3.646 0.847 0.153) 3.746 14.236 ( -2.788 2.485 0.718) 3.803 15.557 ( 8.877 -1.373 0.614) 9.004 16.035 ( -4.186 3.615 -0.029) 5.530 16.187 ( 3.980 -0.908 -0.565) 4.121 16.581 ( -1.050 -2.758 -3.627) 4.676 16.877 ( 2.139 -0.916 4.353) 4.936 17.369 ( -9.967 -7.844 -3.917) 13.275 18.752 ( 3.148 3.687 0.255) 4.855 18.883 ( 0.006 -0.333 1.034) 1.086 19.152 ( 1.837 -1.835 -0.334) 2.618 19.427 ( 3.605 6.691 -3.484) 8.361 19.518 ( -3.381 0.152 5.034) 6.066 ======================= Grid point 189 (101/226) ======================= q-point: (-0.18 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.816 ( -15.779 -2.222 -1.305) 15.988 3.068 ( 10.082 -2.737 0.465) 10.457 3.459 ( -5.888 -26.842 -1.147) 27.504 4.041 ( -6.462 18.046 0.129) 19.169 4.428 ( 11.800 -5.930 -0.930) 13.239 4.585 ( -7.239 9.029 3.154) 11.994 5.375 ( 9.549 6.196 -1.267) 11.453 5.497 ( -2.145 -2.703 -1.374) 3.714 5.684 ( 5.170 3.907 0.951) 6.550 6.455 ( -5.153 6.442 1.102) 8.323 6.795 ( -2.279 5.295 4.348) 7.220 6.862 ( 10.535 -13.104 -2.961) 17.073 7.536 ( -4.358 -0.702 -2.344) 4.998 7.916 ( 2.730 1.461 1.612) 3.491 8.553 ( -4.120 -1.397 0.247) 4.357 8.935 ( -6.305 -11.596 0.470) 13.208 9.411 ( 5.818 12.845 -1.623) 14.194 11.081 ( -0.288 -0.783 0.102) 0.840 14.257 ( 0.964 4.501 -0.498) 4.630 15.582 ( -1.791 -6.248 0.601) 6.527 16.032 ( -1.059 1.281 0.878) 1.880 16.208 ( 1.608 -2.657 -1.181) 3.323 16.523 ( -0.705 -0.012 -0.690) 0.987 16.951 ( 3.925 -3.098 5.366) 7.334 17.123 ( -8.336 -2.648 -4.906) 10.028 18.801 ( 1.267 -1.964 0.273) 2.353 18.921 ( 1.775 3.806 0.784) 4.272 19.157 ( 1.517 -2.404 -0.209) 2.850 19.469 ( -2.172 -1.260 1.554) 2.953 19.558 ( 2.834 8.155 -1.866) 8.833 ======================= Grid point 190 (102/226) ======================= q-point: (-0.09 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.519 ( -18.420 1.546 1.992) 18.592 2.913 ( -17.593 -23.802 -0.601) 29.604 3.265 ( 14.536 -10.984 -0.453) 18.225 4.126 ( -1.911 15.598 0.143) 15.715 4.535 ( -2.030 3.359 4.996) 6.353 4.673 ( 8.941 4.838 -3.515) 10.756 5.361 ( -6.232 0.357 -3.017) 6.933 5.653 ( 6.551 3.017 -0.770) 7.254 5.743 ( 4.671 0.384 -2.369) 5.252 6.419 ( -10.574 7.220 5.883) 14.091 6.823 ( -0.894 5.760 0.756) 5.878 6.975 ( 13.635 -7.861 2.081) 15.876 7.448 ( 0.293 -4.037 -3.535) 5.374 7.993 ( 3.323 1.674 2.098) 4.271 8.431 ( -7.412 -1.662 1.286) 7.704 8.756 ( -0.021 -14.430 -0.386) 14.435 9.637 ( 4.998 14.682 -2.918) 15.781 11.035 ( -3.354 -1.640 -0.187) 3.738 14.344 ( 3.111 7.138 -1.925) 8.021 15.424 ( -5.542 -12.085 1.397) 13.368 15.984 ( -5.051 1.083 -1.419) 5.357 16.170 ( -4.925 1.724 -2.915) 5.977 16.581 ( 5.973 -1.235 5.536) 8.237 16.875 ( -7.326 -2.735 -1.553) 7.972 17.115 ( 6.918 -2.121 4.188) 8.361 18.785 ( 0.128 -2.277 -1.467) 2.712 18.991 ( 1.721 2.544 0.059) 3.072 19.159 ( 1.004 -1.479 0.463) 1.846 19.420 ( -2.748 -0.127 -0.586) 2.812 19.672 ( 3.308 6.378 -3.025) 7.796 ======================= Grid point 193 (103/226) ======================= q-point: ( 0.18 0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.258 ( 2.251 22.599 2.372) 22.835 2.468 ( -12.120 13.183 7.311) 19.342 3.372 ( 13.961 -12.502 2.022) 18.849 4.320 ( -16.841 0.939 -1.464) 16.930 4.635 ( 5.888 -8.713 -3.026) 10.943 4.818 ( 10.388 -0.242 -1.190) 10.458 5.289 ( -3.747 9.502 -3.812) 10.902 5.590 ( -6.685 2.649 -1.097) 7.274 5.761 ( -2.276 -6.216 1.260) 6.738 6.259 ( -10.723 2.463 5.017) 12.092 6.790 ( -6.442 -5.105 0.642) 8.245 7.147 ( 5.502 -2.363 -2.381) 6.444 7.613 ( 16.102 -7.848 3.657) 18.282 7.974 ( 0.638 -4.418 -4.543) 6.369 8.446 ( -0.387 5.441 1.851) 5.760 8.578 ( 12.547 3.736 -1.171) 13.144 9.867 ( -9.582 -5.652 2.486) 11.399 10.914 ( -1.963 5.973 -2.764) 6.868 14.574 ( -3.310 -9.273 -0.559) 9.862 15.055 ( 4.687 14.529 -2.270) 15.434 15.886 ( -9.314 3.115 -3.071) 10.290 16.002 ( -6.642 7.046 2.248) 9.940 16.686 ( -0.796 5.539 -2.832) 6.272 16.852 ( 5.379 -7.068 7.660) 11.729 17.334 ( 8.430 -8.172 8.279) 14.366 18.679 ( -2.330 2.822 -3.948) 5.384 19.028 ( 0.198 -1.118 -0.587) 1.278 19.090 ( -3.265 0.376 -0.192) 3.292 19.358 ( 0.286 2.730 -5.815) 6.430 19.772 ( -0.762 -1.749 -1.746) 2.586 ======================= Grid point 194 (104/226) ======================= q-point: ( 0.27 0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.448 ( -11.459 16.987 8.071) 22.023 2.586 ( -1.802 28.820 3.378) 29.073 3.473 ( 11.119 -13.492 2.889) 17.720 4.036 ( -14.517 4.976 -1.016) 15.380 4.571 ( 3.790 -11.965 -8.229) 15.007 5.048 ( 12.146 1.611 0.301) 12.256 5.282 ( -4.258 2.642 -0.793) 5.073 5.447 ( -3.085 -3.757 -2.761) 5.590 5.717 ( -0.141 -1.619 -1.187) 2.012 6.161 ( -7.878 3.440 6.943) 11.050 6.666 ( -3.106 -3.852 1.165) 5.084 7.152 ( -0.433 -2.865 -0.761) 2.996 7.755 ( 7.089 -9.350 5.573) 12.990 7.920 ( 2.115 -5.368 -5.098) 7.699 8.510 ( 1.058 4.594 0.875) 4.795 8.917 ( 19.362 6.987 -1.984) 20.680 9.596 ( -13.031 -8.633 1.135) 15.672 10.922 ( -3.725 7.094 -2.246) 8.321 14.438 ( -0.403 -7.952 -2.247) 8.273 15.283 ( 3.533 14.410 -0.318) 14.840 15.705 ( -14.165 7.801 -1.879) 16.280 16.009 ( -1.924 6.311 0.830) 6.649 16.730 ( -0.985 7.032 -1.303) 7.219 16.883 ( 2.263 -7.157 6.488) 9.922 17.448 ( 8.849 -8.378 8.849) 15.060 18.649 ( -2.050 4.064 -5.233) 6.936 18.990 ( -0.836 -3.346 -1.126) 3.628 19.063 ( -2.251 2.622 1.058) 3.614 19.367 ( 1.377 2.848 -6.430) 7.166 19.712 ( -1.182 -4.473 -2.311) 5.172 ======================= Grid point 195 (105/226) ======================= q-point: ( 0.36 0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.443 ( -13.005 12.749 6.140) 19.219 2.685 ( -16.025 20.746 1.911) 26.284 3.525 ( 8.445 -13.070 3.159) 15.878 4.045 ( 3.053 14.864 1.995) 15.305 4.468 ( 3.217 -10.695 -7.414) 13.405 5.053 ( -12.465 5.501 -0.716) 13.644 5.292 ( 8.981 -6.065 -8.280) 13.638 5.488 ( 10.311 -1.948 1.878) 10.661 5.696 ( 0.171 -0.953 -1.148) 1.502 6.131 ( -5.182 2.979 9.701) 11.394 6.626 ( 0.374 -1.322 1.442) 1.992 7.090 ( -2.867 -2.182 -0.447) 3.630 7.735 ( -1.138 -9.723 3.534) 10.408 7.892 ( 4.081 -6.576 -3.102) 8.338 8.577 ( 1.092 3.876 0.852) 4.116 9.068 ( -9.195 -7.704 1.119) 12.048 9.534 ( 16.379 6.168 -3.948) 17.941 10.884 ( -7.296 5.719 -1.108) 9.336 14.402 ( 5.455 -4.627 -3.097) 7.795 15.292 ( -13.297 2.405 0.905) 13.543 15.683 ( -1.916 18.163 -0.688) 18.277 16.069 ( 2.453 5.362 -1.320) 6.043 16.730 ( -7.751 6.276 2.111) 10.195 16.896 ( 4.285 -6.266 3.543) 8.377 17.569 ( 8.578 -7.406 8.262) 14.025 18.630 ( -1.658 5.109 -6.168) 8.179 18.942 ( -0.394 -3.359 0.136) 3.385 19.064 ( -1.441 2.900 0.737) 3.321 19.381 ( 1.229 2.568 -6.608) 7.196 19.627 ( -1.336 -5.491 -1.396) 5.821 ======================= Grid point 196 (106/226) ======================= q-point: ( 0.45 0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.279 ( -16.206 5.970 1.848) 17.369 2.658 ( -7.040 14.229 1.922) 15.991 3.533 ( 5.084 -12.092 1.831) 13.245 4.246 ( 2.561 5.714 0.296) 6.269 4.413 ( 1.954 -5.903 -0.447) 6.234 4.973 ( -2.735 11.376 -1.307) 11.773 5.296 ( -0.362 5.106 -10.587) 11.759 5.660 ( 5.647 -5.167 1.372) 7.776 5.693 ( 4.868 -0.331 -0.041) 4.880 6.162 ( 0.873 -0.366 11.630) 11.669 6.649 ( 1.107 0.506 0.835) 1.477 7.020 ( -2.289 -2.444 -0.295) 3.361 7.589 ( -4.225 -11.277 0.996) 12.084 7.877 ( 2.463 -6.332 -0.873) 6.850 8.620 ( -1.483 4.000 0.373) 4.282 8.793 ( -9.153 -6.761 -0.877) 11.413 9.916 ( 18.577 6.415 -3.351) 19.937 10.781 ( -9.445 3.973 0.424) 10.256 14.493 ( 10.644 -2.338 -2.823) 11.258 15.042 ( -16.678 1.868 1.139) 16.821 15.841 ( 0.936 12.802 0.439) 12.843 16.179 ( 5.598 5.373 -3.749) 8.617 16.630 ( -11.012 3.996 3.320) 12.176 16.929 ( 3.520 -4.957 2.017) 6.406 17.674 ( 7.003 -7.853 6.170) 12.198 18.624 ( -1.553 6.533 -6.250) 9.174 18.913 ( 0.008 -2.968 1.368) 3.268 19.079 ( -0.688 2.775 0.744) 2.954 19.375 ( -0.255 2.396 -7.441) 7.821 19.564 ( -0.178 -4.202 2.176) 4.735 ======================= Grid point 197 (107/226) ======================= q-point: ( 0.55 0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.176 ( 1.899 0.758 0.292) 2.066 2.719 ( -0.382 8.585 0.621) 8.616 3.477 ( 1.055 -9.932 -1.152) 10.054 4.274 ( -3.726 2.837 1.568) 4.938 4.375 ( 2.298 -6.180 1.449) 6.750 5.107 ( 3.082 7.470 0.120) 8.081 5.278 ( -5.613 13.679 -9.314) 17.475 5.605 ( -6.587 2.251 0.645) 6.991 5.795 ( 4.950 -4.763 0.395) 6.880 6.280 ( 8.079 -6.860 10.906) 15.208 6.655 ( -1.707 1.154 -0.857) 2.231 6.949 ( -2.073 -4.451 -0.363) 4.923 7.457 ( 1.740 -7.221 0.348) 7.436 7.835 ( -1.536 -2.881 0.214) 3.272 8.608 ( -2.736 4.654 -0.612) 5.433 8.674 ( 0.555 -3.828 -2.389) 4.547 10.157 ( 2.733 3.303 -1.850) 4.669 10.701 ( -1.477 2.448 1.519) 3.237 14.617 ( 0.423 -0.033 -0.110) 0.438 14.863 ( -0.554 1.134 -0.074) 1.264 15.961 ( 2.347 4.964 1.139) 5.608 16.305 ( 4.971 6.239 -6.638) 10.378 16.492 ( -9.437 1.220 3.601) 10.174 16.930 ( 0.818 -4.194 1.101) 4.413 17.697 ( 2.907 -9.862 1.327) 10.367 18.641 ( -1.065 7.644 -3.938) 8.664 18.897 ( 0.011 -2.277 2.099) 3.097 19.100 ( -0.143 1.530 1.204) 1.952 19.349 ( -0.897 3.939 -6.834) 7.939 19.564 ( 0.804 -2.006 5.455) 5.868 ======================= Grid point 198 (108/226) ======================= q-point: (-0.36 -0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.362 ( 19.170 -3.933 0.115) 19.569 2.817 ( 8.122 -1.053 -0.802) 8.229 3.376 ( -3.383 -3.357 -3.030) 5.647 4.225 ( -6.725 5.562 2.626) 9.114 4.398 ( 3.749 -4.669 0.416) 6.002 5.108 ( -5.556 -0.698 -1.865) 5.902 5.306 ( -5.670 16.773 -3.775) 18.103 5.531 ( -4.237 0.992 3.558) 5.621 5.746 ( -5.863 -1.986 -0.574) 6.216 6.367 ( 12.341 -21.837 7.568) 26.200 6.608 ( -3.684 1.252 -2.254) 4.497 6.905 ( -2.097 5.434 -0.808) 5.880 7.518 ( 9.208 -3.824 -0.118) 9.971 7.793 ( -3.562 3.830 1.201) 5.366 8.615 ( -2.062 1.721 -2.273) 3.518 8.697 ( 7.811 0.991 -2.301) 8.202 10.035 ( -15.783 -0.104 0.818) 15.805 10.811 ( 8.758 1.018 1.072) 8.882 14.493 ( -11.319 2.405 1.841) 11.718 15.053 ( 16.554 -0.259 -0.342) 16.559 16.030 ( 3.745 -3.281 1.549) 5.214 16.290 ( -8.433 3.238 -3.170) 9.573 16.479 ( 4.935 1.735 -1.577) 5.463 16.893 ( -1.293 -2.567 0.611) 2.939 17.592 ( -2.432 -9.624 -4.377) 10.849 18.693 ( 0.147 6.345 -0.206) 6.350 18.891 ( -0.213 -1.178 2.182) 2.489 19.110 ( 0.187 -0.927 0.854) 1.275 19.363 ( 0.486 6.410 -4.536) 7.868 19.597 ( -0.352 0.013 6.996) 7.005 ======================= Grid point 199 (109/226) ======================= q-point: (-0.27 -0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.598 ( 14.864 -12.444 -2.422) 19.536 3.021 ( 23.765 -12.211 -0.303) 26.720 3.276 ( -8.233 6.524 -1.423) 10.601 4.170 ( -7.138 2.518 -0.864) 7.619 4.375 ( -0.129 -3.461 0.254) 3.472 4.995 ( -11.343 12.877 -3.015) 17.423 5.279 ( -5.372 -0.780 3.519) 6.469 5.566 ( 0.551 6.838 5.218) 8.619 5.618 ( -5.410 -0.811 -1.929) 5.801 6.390 ( 14.863 -25.589 3.023) 29.746 6.552 ( -2.724 2.169 -1.876) 3.955 6.948 ( -3.239 11.187 -0.162) 11.648 7.597 ( 3.895 -3.613 -2.975) 6.089 7.826 ( -0.339 6.974 2.773) 7.512 8.580 ( -0.498 -0.567 -2.685) 2.789 8.886 ( 10.688 5.368 -2.502) 12.220 9.709 ( -20.072 -2.593 2.479) 20.390 10.962 ( 7.214 -0.655 0.915) 7.302 14.365 ( -7.738 3.666 1.430) 8.680 15.334 ( 15.431 -0.843 0.995) 15.486 16.035 ( 4.304 -11.781 2.025) 12.705 16.159 ( -6.315 0.402 -1.418) 6.485 16.559 ( 2.211 3.455 -4.153) 5.837 16.864 ( 0.029 -1.355 1.394) 1.944 17.402 ( -6.117 -5.912 -7.301) 11.211 18.755 ( 0.822 2.498 2.442) 3.589 18.897 ( -0.066 1.300 1.394) 1.907 19.103 ( 0.910 -2.463 0.153) 2.630 19.427 ( 1.693 5.624 -2.486) 6.378 19.625 ( -2.533 2.759 6.694) 7.671 ======================= Grid point 200 (110/226) ======================= q-point: (-0.18 -0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.628 ( 11.508 -18.375 -5.822) 22.449 3.128 ( 2.307 -17.898 -0.745) 18.061 3.238 ( -4.152 0.248 2.283) 4.745 4.118 ( 8.599 -1.265 -1.875) 8.892 4.382 ( -5.890 11.468 1.611) 12.993 4.899 ( -14.121 13.255 -1.279) 19.410 5.286 ( 5.413 1.466 3.146) 6.430 5.521 ( -3.295 -2.382 -1.417) 4.305 5.683 ( 1.589 5.795 2.844) 6.648 6.411 ( 14.494 -23.130 0.824) 27.309 6.558 ( 0.953 4.253 -0.619) 4.402 7.000 ( -4.923 12.816 1.324) 13.793 7.553 ( -2.369 -2.245 -5.128) 6.079 7.914 ( 1.295 4.681 2.755) 5.584 8.555 ( 0.373 -2.415 -1.540) 2.889 9.015 ( -5.126 0.195 -0.579) 5.162 9.458 ( -3.673 3.806 0.846) 5.357 11.042 ( 3.276 -2.353 0.634) 4.083 14.325 ( -2.929 5.755 0.265) 6.463 15.502 ( 4.680 -5.908 1.373) 7.661 16.017 ( 7.794 -11.718 5.137) 14.982 16.077 ( -1.368 -2.645 -2.325) 3.777 16.570 ( -2.385 5.420 -5.358) 7.986 16.879 ( 2.847 -4.162 2.587) 5.667 17.212 ( -7.332 -0.140 -6.498) 9.798 18.783 ( -0.026 -1.179 2.852) 3.086 18.937 ( 1.025 3.838 0.263) 3.981 19.101 ( 1.774 -2.658 0.426) 3.224 19.478 ( 0.693 1.373 -0.635) 1.664 19.652 ( -2.809 6.751 3.791) 8.236 ======================= Grid point 201 (111/226) ======================= q-point: (-0.09 -0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.596 ( 5.932 -14.053 -4.795) 15.990 2.809 ( -4.394 -32.974 -0.683) 33.273 3.163 ( -8.723 7.965 2.570) 12.088 4.367 ( 10.897 -0.305 1.553) 11.012 4.379 ( -3.172 13.832 -3.118) 14.529 4.814 ( -9.531 9.356 5.249) 14.351 5.421 ( -1.367 -2.037 -0.869) 2.603 5.514 ( 11.020 6.215 -1.615) 12.754 5.732 ( -1.265 1.524 -0.287) 2.001 6.442 ( 12.647 -18.093 0.234) 22.076 6.662 ( 6.066 4.859 -0.919) 7.826 7.042 ( -7.157 12.736 4.173) 15.193 7.433 ( -4.475 -2.620 -6.115) 8.018 7.984 ( 0.980 2.786 1.907) 3.516 8.516 ( -0.885 -3.690 -0.289) 3.805 8.755 ( -14.656 -7.444 3.118) 16.731 9.633 ( 8.853 11.720 -2.287) 14.865 11.040 ( -0.123 -3.480 0.154) 3.485 14.378 ( 1.000 8.491 -1.173) 8.630 15.395 ( -4.637 -13.273 1.878) 14.185 16.018 ( -1.035 -2.428 -2.032) 3.331 16.133 ( 9.093 -5.702 5.372) 12.003 16.548 ( -1.463 4.525 -4.732) 6.708 16.876 ( 1.366 -7.725 1.114) 7.923 17.106 ( -3.932 4.127 -1.300) 5.847 18.774 ( -0.896 -1.299 1.481) 2.164 18.987 ( 1.097 2.349 -1.193) 2.854 19.122 ( 2.180 -1.063 1.571) 2.890 19.466 ( -2.172 -0.297 0.075) 2.194 19.707 ( -0.602 7.170 0.528) 7.215 ======================= Grid point 204 (112/226) ======================= q-point: ( 0.18 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.345 ( 11.663 17.685 0.431) 21.189 2.670 ( 10.341 2.631 2.840) 11.042 3.183 ( -5.398 1.203 3.557) 6.576 4.385 ( 2.479 -8.667 -0.699) 9.041 4.492 ( 3.307 -4.602 -5.278) 7.744 4.820 ( -13.814 -0.067 5.589) 14.902 5.359 ( 0.401 3.087 -1.426) 3.424 5.680 ( 1.199 2.844 -1.594) 3.474 5.789 ( -8.005 -4.848 -0.658) 9.381 6.427 ( 5.752 -1.792 0.057) 6.025 6.800 ( 8.594 -8.443 -6.167) 13.534 6.932 ( -8.861 0.651 -0.104) 8.886 7.457 ( 5.094 4.727 2.874) 7.521 7.944 ( -3.511 -1.553 -3.994) 5.540 8.423 ( 4.959 -0.442 2.494) 5.569 8.568 ( -1.243 8.604 2.600) 9.074 9.939 ( -4.991 -8.380 2.967) 10.195 10.952 ( 1.411 3.981 -2.540) 4.929 14.548 ( -4.701 -9.519 0.309) 10.621 15.104 ( 5.120 14.784 -1.836) 15.753 15.990 ( -0.931 1.480 0.453) 1.806 16.164 ( -4.455 2.908 -0.618) 5.356 16.652 ( 3.917 -4.387 -1.313) 6.026 16.768 ( 4.915 1.678 3.513) 6.270 17.189 ( 3.287 -5.320 5.615) 8.405 18.747 ( -3.140 3.176 -0.388) 4.482 19.006 ( 0.093 -1.117 -1.655) 1.999 19.138 ( -1.108 0.195 0.413) 1.198 19.362 ( -2.013 1.822 -3.958) 4.800 19.790 ( -3.301 -0.962 0.062) 3.439 ======================= Grid point 205 (113/226) ======================= q-point: ( 0.27 0.64 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.719 ( 5.578 12.831 1.621) 14.084 2.901 ( -0.095 29.618 4.149) 29.908 3.179 ( 8.016 -9.767 3.488) 13.108 4.297 ( -0.758 -8.408 -4.272) 9.462 4.393 ( -10.716 -2.080 -0.326) 10.921 4.735 ( 9.813 -9.402 1.562) 13.680 5.402 ( 0.846 5.567 -2.756) 6.269 5.528 ( -13.106 -6.850 -1.453) 14.859 5.698 ( -0.329 -0.206 -1.806) 1.848 6.397 ( -8.171 6.238 0.344) 10.285 6.707 ( -5.085 -4.504 1.617) 6.983 6.984 ( 10.756 -6.694 -1.105) 12.717 7.624 ( 7.585 -0.175 4.210) 8.676 7.857 ( -2.090 -1.007 -4.714) 5.254 8.517 ( 3.537 1.809 0.262) 3.982 8.733 ( 8.925 10.141 1.617) 13.606 9.706 ( -10.716 -12.667 1.693) 16.678 11.003 ( -0.049 5.268 -1.844) 5.582 14.381 ( -3.396 -8.018 -1.072) 8.773 15.350 ( 5.510 14.967 -0.653) 15.962 15.929 ( -7.507 3.673 -1.223) 8.446 16.142 ( -3.909 4.992 0.914) 6.406 16.674 ( 5.463 -3.769 -2.778) 7.195 16.878 ( 1.703 1.747 6.269) 6.727 17.253 ( 7.946 -8.015 5.745) 12.664 18.724 ( -3.344 4.603 -1.529) 5.891 18.964 ( -0.910 -3.327 -1.521) 3.770 19.138 ( -1.513 2.239 1.993) 3.358 19.335 ( -0.110 2.470 -6.188) 6.664 19.704 ( -3.609 -3.799 -0.420) 5.257 ======================= Grid point 206 (114/226) ======================= q-point: ( 0.36 0.64 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.779 ( -9.863 11.222 2.055) 15.081 3.162 ( -5.369 18.790 0.994) 19.567 3.266 ( 4.891 -6.873 3.888) 9.289 4.206 ( -7.444 7.225 3.431) 10.926 4.242 ( 6.530 -7.804 -5.990) 11.808 4.890 ( 18.193 -12.871 -1.454) 22.333 5.248 ( -10.346 -4.231 -0.434) 11.186 5.455 ( 0.347 5.658 -3.159) 6.489 5.661 ( -0.141 -3.115 -0.233) 3.127 6.335 ( -7.164 7.509 0.012) 10.379 6.633 ( -1.578 -1.456 2.331) 3.169 7.043 ( 3.088 -5.736 2.337) 6.921 7.728 ( 5.068 -4.105 2.948) 7.158 7.785 ( -4.215 -0.054 -2.852) 5.089 8.584 ( 2.043 2.373 0.044) 3.132 9.038 ( 11.196 5.675 0.939) 12.587 9.409 ( -5.993 -9.381 -1.860) 11.286 11.015 ( -3.272 3.949 -0.825) 5.194 14.285 ( 0.953 -4.814 -1.861) 5.249 15.490 ( -4.485 5.895 1.113) 7.490 15.875 ( -3.334 10.681 -2.244) 11.412 16.122 ( -3.764 4.517 -0.212) 5.883 16.736 ( 7.220 -4.129 -0.664) 8.343 16.913 ( -3.871 1.043 7.001) 8.067 17.360 ( 10.159 -7.035 2.745) 12.658 18.709 ( -3.221 5.900 -2.066) 7.032 18.912 ( -0.239 -3.704 -0.116) 3.714 19.143 ( -2.525 3.109 2.587) 4.768 19.335 ( 1.529 2.412 -7.086) 7.640 19.601 ( -2.573 -5.237 -0.128) 5.836 ======================= Grid point 207 (115/226) ======================= q-point: ( 0.45 0.64 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.651 ( -15.771 3.773 0.652) 16.229 2.994 ( -20.744 7.802 -1.452) 22.211 3.344 ( 7.681 -4.759 1.653) 9.186 4.157 ( 4.214 -7.277 -1.451) 8.533 4.403 ( 2.255 7.845 1.736) 8.346 4.990 ( 7.513 -5.721 -2.356) 9.733 5.228 ( 7.718 5.041 -0.616) 9.239 5.475 ( 1.201 -1.890 0.179) 2.246 5.677 ( 3.638 0.960 0.376) 3.781 6.280 ( -6.215 3.437 0.094) 7.102 6.642 ( 1.143 0.459 2.211) 2.531 7.021 ( -1.531 -3.694 3.196) 5.119 7.649 ( -8.203 -2.411 -3.554) 9.259 7.779 ( 3.172 -2.577 3.206) 5.194 8.631 ( 1.700 -0.046 0.096) 1.703 8.940 ( -13.291 -4.168 0.126) 13.929 9.587 ( 21.848 3.151 -3.605) 22.367 10.956 ( -6.879 1.968 0.421) 7.168 14.305 ( 6.590 -2.163 -1.771) 7.158 15.346 ( -14.712 1.593 1.959) 14.927 15.957 ( -1.060 9.896 -2.267) 10.208 16.128 ( 2.172 2.484 -1.782) 3.750 16.817 ( 5.833 -2.448 0.223) 6.330 16.845 ( -8.335 -1.322 6.691) 10.770 17.473 ( 9.313 -5.625 -1.501) 10.983 18.709 ( -2.762 6.853 -1.712) 7.584 18.885 ( 0.578 -3.142 1.483) 3.522 19.146 ( -2.424 2.845 2.909) 4.736 19.345 ( 1.264 2.697 -7.022) 7.627 19.531 ( 0.006 -4.723 1.987) 5.124 ======================= Grid point 208 (116/226) ======================= q-point: (-0.45 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.345 ( -18.473 0.293 -0.701) 18.489 2.775 ( -5.594 -5.493 -2.884) 8.354 3.410 ( 1.360 2.817 -1.403) 3.428 4.204 ( 6.994 -3.852 1.366) 8.100 4.407 ( -3.869 0.573 1.360) 4.141 5.089 ( 4.564 2.481 -1.735) 5.477 5.419 ( 2.503 12.462 -3.143) 13.093 5.498 ( 9.604 -13.539 5.283) 17.420 5.777 ( 0.998 7.435 -0.439) 7.514 6.188 ( -2.627 -7.074 0.483) 7.561 6.678 ( 0.351 0.624 1.465) 1.631 6.979 ( -2.504 0.243 2.978) 3.898 7.459 ( -7.105 -1.138 -3.470) 7.989 7.831 ( 1.734 0.926 3.179) 3.737 8.621 ( -0.084 -4.842 -1.757) 5.151 8.740 ( -8.228 3.904 -0.310) 9.112 9.950 ( 18.838 0.770 -3.267) 19.135 10.836 ( -8.583 0.108 2.057) 8.827 14.439 ( 11.270 -0.788 -1.004) 11.342 15.104 ( -16.295 2.351 2.436) 16.643 15.974 ( -0.913 0.457 -1.267) 1.628 16.219 ( 5.942 3.063 -3.400) 7.500 16.690 ( -10.500 -3.296 4.746) 11.985 16.877 ( 2.866 -0.912 -0.237) 3.017 17.530 ( 5.675 -5.331 -5.693) 9.646 18.730 ( -2.072 6.849 -0.336) 7.163 18.883 ( 0.724 -2.068 2.278) 3.161 19.145 ( -2.102 0.969 3.003) 3.791 19.356 ( 0.465 4.677 -5.937) 7.572 19.540 ( 2.797 -2.942 5.367) 6.729 ======================= Grid point 209 (117/226) ======================= q-point: (-0.36 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.143 ( -0.703 -3.781 -1.360) 4.080 2.623 ( 2.364 -15.694 -4.565) 16.515 3.446 ( -2.383 8.871 -2.415) 9.498 4.285 ( 4.657 -3.996 1.604) 6.342 4.387 ( -3.329 6.356 2.042) 7.460 5.123 ( -0.950 -1.054 0.905) 1.683 5.514 ( -2.065 10.926 -0.397) 11.126 5.579 ( 8.372 -9.792 2.021) 13.041 5.780 ( -3.279 0.354 -1.621) 3.674 6.043 ( -1.953 -15.097 0.086) 15.223 6.667 ( -2.600 0.305 0.306) 2.636 6.994 ( -0.180 3.794 1.773) 4.192 7.424 ( 1.579 6.649 -0.726) 6.873 7.889 ( -0.728 5.614 2.761) 6.299 8.566 ( 1.536 -3.568 -3.063) 4.947 8.697 ( -2.493 4.928 -0.968) 5.606 10.137 ( 3.592 -2.643 -2.760) 5.245 10.742 ( -1.226 -1.238 3.511) 3.920 14.614 ( 6.235 -0.040 0.063) 6.236 14.921 ( -6.072 2.830 2.561) 7.172 15.934 ( 0.986 -7.956 -0.112) 8.017 16.327 ( 4.873 2.635 -4.957) 7.434 16.501 ( -8.135 -4.800 4.195) 10.335 16.891 ( -0.026 0.169 -1.976) 1.983 17.496 ( 0.831 -4.038 -8.470) 9.419 18.766 ( -1.349 5.270 1.585) 5.666 18.893 ( 0.552 -0.580 2.232) 2.371 19.122 ( -1.971 -1.174 1.883) 2.968 19.393 ( 0.605 6.017 -3.538) 7.006 19.616 ( 3.136 -0.303 7.862) 8.470 ======================= Grid point 210 (118/226) ======================= q-point: (-0.27 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.197 ( 13.190 -12.450 -2.778) 18.349 2.533 ( 13.121 -19.237 -4.445) 23.706 3.472 ( -5.190 11.239 -1.195) 12.437 4.238 ( -5.514 -9.275 0.322) 10.795 4.440 ( -0.894 12.716 0.104) 12.748 5.097 ( 1.241 -5.029 5.352) 7.449 5.505 ( -11.798 9.740 -7.304) 16.953 5.594 ( 0.915 -0.987 4.430) 4.630 5.764 ( 1.115 -3.047 2.694) 4.218 5.880 ( 5.786 -17.240 -1.810) 18.275 6.618 ( -3.261 0.896 0.073) 3.382 7.045 ( 2.106 1.642 0.738) 2.770 7.561 ( 0.875 11.713 0.406) 11.753 7.946 ( -2.262 8.163 2.179) 8.746 8.543 ( 0.909 -2.657 -3.841) 4.758 8.778 ( 6.968 6.683 -1.522) 9.774 9.976 ( -13.942 -5.899 -0.417) 15.145 10.820 ( 7.983 -2.276 2.676) 8.722 14.563 ( -9.399 2.770 0.912) 9.841 15.067 ( 14.772 0.396 2.164) 14.935 15.848 ( 2.071 -15.144 1.003) 15.318 16.252 ( -7.091 -4.420 -1.013) 8.417 16.504 ( 5.587 1.427 -0.131) 5.768 16.863 ( -1.307 -0.049 -3.452) 3.691 17.401 ( -3.143 -0.404 -8.576) 9.143 18.798 ( -1.034 2.215 3.428) 4.211 18.918 ( 0.559 1.767 1.673) 2.497 19.084 ( -1.235 -2.144 0.863) 2.621 19.441 ( 0.871 3.876 -1.807) 4.365 19.714 ( 0.895 3.323 7.985) 8.695 ======================= Grid point 211 (119/226) ======================= q-point: (-0.18 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.193 ( 11.200 -21.035 -7.394) 24.952 2.644 ( 19.431 -24.674 0.180) 31.407 3.474 ( -7.337 11.494 0.340) 13.640 4.026 ( -3.301 -7.680 0.416) 8.370 4.580 ( -0.653 16.268 -1.112) 16.319 5.133 ( 4.171 -2.968 1.193) 5.256 5.315 ( -13.174 2.642 -0.377) 13.442 5.554 ( -4.029 -2.359 -1.230) 4.828 5.769 ( -2.236 5.114 4.095) 6.923 5.920 ( 15.300 -15.788 -1.128) 22.014 6.597 ( -0.808 2.270 0.944) 2.588 7.106 ( 3.240 0.691 0.131) 3.315 7.631 ( -6.278 12.264 -1.350) 13.843 7.999 ( -1.980 7.520 2.088) 8.052 8.508 ( 0.391 -2.767 -2.814) 3.966 9.009 ( 9.396 8.740 -1.953) 12.980 9.633 ( -15.960 -6.930 1.129) 17.437 10.934 ( 6.454 -3.688 1.614) 7.607 14.461 ( -6.314 4.793 0.062) 7.928 15.328 ( 12.196 -1.968 2.314) 12.569 15.741 ( 5.858 -18.585 2.350) 19.628 16.098 ( -4.425 -5.595 0.707) 7.168 16.603 ( 2.922 3.186 -1.611) 4.614 16.813 ( -0.627 -2.190 -4.075) 4.668 17.302 ( -5.212 3.999 -6.116) 8.976 18.810 ( -1.304 -0.171 4.302) 4.499 18.964 ( 0.525 3.647 0.463) 3.714 19.058 ( 0.590 -2.385 1.068) 2.679 19.473 ( 0.887 0.782 -0.711) 1.380 19.790 ( -2.151 6.075 5.740) 8.630 ======================= Grid point 212 (120/226) ======================= q-point: (-0.09 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.162 ( 15.238 -20.649 -7.022) 26.606 2.533 ( 1.808 -32.489 0.754) 32.548 3.453 ( -9.453 11.572 1.584) 15.026 4.108 ( 13.708 0.685 2.464) 13.945 4.650 ( -8.546 12.578 -3.560) 15.618 5.115 ( -9.841 11.754 -0.982) 15.361 5.248 ( 11.538 -13.261 4.146) 18.059 5.465 ( -1.685 -1.495 -3.244) 3.949 5.779 ( -1.946 -0.594 1.488) 2.520 6.035 ( 11.683 -7.718 -0.228) 14.004 6.651 ( 2.760 3.775 1.131) 4.812 7.155 ( 2.990 -1.924 -1.198) 3.752 7.597 ( -11.439 15.058 -2.379) 19.059 8.046 ( -1.752 5.891 1.768) 6.395 8.464 ( -0.139 -4.530 -1.407) 4.745 9.006 ( -15.410 -3.411 2.630) 16.001 9.551 ( 9.229 6.459 -1.469) 11.360 10.975 ( 2.878 -5.070 0.588) 5.860 14.455 ( -1.176 7.539 -1.225) 7.728 15.346 ( -2.646 -11.849 2.864) 12.474 15.809 ( 15.556 -10.682 0.826) 18.889 16.019 ( 0.711 -4.998 4.241) 6.593 16.630 ( -2.891 5.333 -3.906) 7.215 16.760 ( 1.653 -5.893 -2.921) 6.782 17.237 ( -5.559 6.303 -2.561) 8.786 18.804 ( -1.688 -0.380 3.889) 4.257 18.990 ( -0.149 1.776 -1.821) 2.548 19.088 ( 2.652 -0.024 2.759) 3.827 19.477 ( -0.018 -1.049 -0.038) 1.050 19.826 ( -3.536 6.607 2.707) 7.968 ======================= Grid point 215 (121/226) ======================= q-point: ( 0.18 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.138 ( 21.745 -2.958 -0.430) 21.950 2.412 ( 22.609 10.932 2.234) 25.213 3.448 ( -13.275 5.401 0.675) 14.348 4.268 ( -0.529 -12.119 -1.208) 12.191 4.440 ( -4.646 1.496 -0.726) 4.935 5.091 ( -10.120 -4.833 7.538) 13.513 5.360 ( 0.928 2.007 1.034) 2.441 5.586 ( 12.269 -2.879 0.400) 12.609 5.831 ( 3.785 0.690 -1.921) 4.300 6.052 ( 9.136 -4.380 -7.528) 12.623 6.710 ( -1.383 -2.072 -5.223) 5.787 7.067 ( 0.658 0.995 -0.670) 1.369 7.591 ( -15.199 6.158 -0.104) 16.400 8.011 ( -6.885 0.219 -2.177) 7.224 8.391 ( 1.944 1.103 4.380) 4.918 8.706 ( -2.333 9.613 2.530) 10.211 9.904 ( -0.329 -11.395 3.070) 11.806 10.920 ( 4.386 2.607 -2.316) 5.604 14.551 ( -5.041 -7.871 1.521) 9.470 15.147 ( 4.972 13.295 -2.135) 14.354 15.885 ( 11.531 -4.390 -0.645) 12.355 16.205 ( 0.952 -2.998 0.961) 3.289 16.592 ( -3.073 -0.690 0.564) 3.200 16.678 ( 8.388 1.304 0.478) 8.503 17.213 ( -5.282 -0.063 2.381) 5.794 18.831 ( -2.746 2.534 1.207) 3.926 18.990 ( -0.416 -0.199 -1.974) 2.027 19.133 ( 0.264 -1.242 -1.576) 2.024 19.410 ( -2.177 1.338 0.075) 2.557 19.861 ( -5.116 0.264 0.298) 5.132 ======================= Grid point 216 (122/226) ======================= q-point: ( 0.27 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.513 ( 22.465 -0.599 1.752) 22.542 2.962 ( 20.169 19.595 2.232) 28.208 3.279 ( -11.505 4.982 -0.471) 12.546 4.133 ( -0.196 -13.123 0.779) 13.147 4.410 ( 1.928 -0.638 -1.979) 2.835 4.833 ( -17.690 -3.812 5.319) 18.862 5.409 ( 1.450 3.386 -1.315) 3.910 5.599 ( -4.457 -8.491 -2.282) 9.857 5.743 ( -5.460 1.914 -3.154) 6.590 6.342 ( 21.073 -4.582 1.913) 21.650 6.643 ( 0.061 -1.292 -5.416) 5.568 6.988 ( -10.186 4.404 -0.887) 11.133 7.529 ( 3.060 -1.116 1.403) 3.547 7.904 ( -4.804 1.899 -2.227) 5.626 8.472 ( 3.321 1.658 3.010) 4.779 8.803 ( -0.679 12.135 2.071) 12.329 9.721 ( -6.191 -15.542 1.573) 16.804 11.011 ( 3.135 3.768 -1.487) 5.123 14.386 ( -5.717 -6.366 0.330) 8.563 15.379 ( 6.680 13.306 -1.327) 14.947 16.012 ( 3.504 -0.873 1.840) 4.053 16.174 ( 0.754 0.346 -2.949) 3.064 16.552 ( 0.903 -4.406 0.154) 4.500 16.850 ( 7.581 2.919 1.834) 8.328 17.152 ( -1.177 -3.899 4.022) 5.724 18.817 ( -2.769 3.706 0.016) 4.626 18.943 ( -1.608 -2.788 -1.724) 3.651 19.142 ( 2.099 0.200 -1.222) 2.437 19.383 ( -3.415 3.363 -0.709) 4.845 19.754 ( -5.997 -2.526 -0.177) 6.510 ======================= Grid point 217 (123/226) ======================= q-point: ( 0.36 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.882 ( 18.349 1.412 2.639) 18.591 3.054 ( -9.799 -2.932 -0.648) 10.249 3.504 ( 7.698 20.735 1.067) 22.144 4.017 ( 0.729 -10.591 -0.915) 10.655 4.474 ( 5.161 -0.194 -0.134) 5.167 4.542 ( -9.835 -3.354 2.227) 10.628 5.343 ( -7.989 -4.522 -4.187) 10.089 5.485 ( 0.321 1.478 0.736) 1.682 5.663 ( -3.343 -1.195 -1.266) 3.770 6.480 ( -3.192 3.827 -1.383) 5.172 6.658 ( 1.240 -2.520 3.196) 4.255 6.942 ( 3.946 1.916 -1.711) 4.708 7.587 ( 5.346 -5.612 1.002) 7.816 7.869 ( -2.424 4.265 -1.154) 5.039 8.558 ( 2.973 1.620 0.598) 3.438 8.956 ( 5.869 9.146 1.793) 11.014 9.437 ( -9.659 -13.594 -0.471) 16.683 11.067 ( 0.282 2.436 -0.603) 2.525 14.258 ( -3.240 -3.351 -0.423) 4.680 15.571 ( 2.831 6.839 -0.111) 7.403 15.991 ( -3.941 2.463 0.419) 4.667 16.216 ( -0.317 2.957 -1.503) 3.332 16.559 ( 6.406 -4.381 -0.609) 7.785 16.977 ( 1.660 0.534 4.845) 5.149 17.159 ( 6.089 -4.359 0.083) 7.488 18.811 ( -2.673 4.962 -0.818) 5.695 18.882 ( -0.941 -3.504 0.067) 3.629 19.178 ( 2.040 0.250 -0.286) 2.075 19.358 ( -3.382 4.957 -1.492) 6.184 19.618 ( -5.285 -4.331 -0.324) 6.840 ======================= Grid point 218 (124/226) ======================= q-point: (-0.55 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.828 ( -8.864 -8.504 -2.120) 12.465 3.165 ( 8.208 2.332 1.603) 8.682 3.491 ( -20.595 7.331 -1.293) 21.899 3.987 ( 6.912 -8.598 -0.173) 11.033 4.478 ( -1.862 8.031 -0.263) 8.248 4.639 ( 15.476 -9.066 0.022) 17.936 5.253 ( -0.549 7.297 0.703) 7.352 5.472 ( -0.848 -3.188 1.864) 3.789 5.648 ( 1.460 2.719 0.811) 3.191 6.399 ( -7.028 2.031 -5.943) 9.425 6.656 ( -0.745 0.583 3.687) 3.807 7.032 ( 2.125 0.649 2.866) 3.626 7.610 ( 3.669 -4.889 -2.313) 6.535 7.850 ( -4.796 3.902 1.136) 6.286 8.590 ( 1.003 -2.397 -0.181) 2.604 9.143 ( -11.786 1.092 1.108) 11.888 9.234 ( 17.225 -2.007 -2.306) 17.494 11.055 ( -3.241 0.383 0.263) 3.274 14.217 ( 1.229 -0.739 -0.298) 1.465 15.566 ( -7.560 0.880 1.419) 7.742 16.002 ( 1.456 3.144 -1.249) 3.683 16.165 ( -4.967 0.085 -1.088) 5.085 16.676 ( 8.768 0.061 -1.075) 8.834 16.958 ( -4.220 -6.142 7.959) 10.903 17.260 ( 8.963 0.236 -7.046) 11.403 18.816 ( -2.443 5.967 -1.016) 6.527 18.852 ( 0.471 -3.213 2.353) 4.010 19.205 ( 0.480 -0.260 1.406) 1.508 19.355 ( -2.111 6.207 -1.921) 6.832 19.506 ( -2.112 -4.754 0.770) 5.259 ======================= Grid point 219 (125/226) ======================= q-point: (-0.45 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.562 ( -8.852 -11.953 -3.413) 15.260 2.923 ( -24.523 -7.224 -2.654) 25.702 3.448 ( 1.772 10.970 -2.795) 11.458 4.070 ( 7.316 -1.548 3.581) 8.291 4.467 ( -2.321 0.855 -1.273) 2.782 4.845 ( 18.591 -8.760 0.948) 20.574 5.284 ( -1.791 -6.580 3.312) 7.581 5.556 ( 1.540 10.449 3.020) 10.985 5.770 ( 7.284 7.317 1.606) 10.448 6.212 ( -8.465 -4.525 -7.796) 12.366 6.689 ( 0.471 1.448 2.772) 3.163 7.049 ( -2.465 0.783 2.998) 3.960 7.557 ( -4.226 0.945 -5.285) 6.832 7.853 ( 0.087 4.265 3.821) 5.727 8.557 ( 0.563 -5.569 -1.033) 5.692 8.956 ( -11.549 4.809 0.181) 12.511 9.569 ( 21.810 -1.794 -2.019) 21.977 10.970 ( -6.461 -1.630 1.409) 6.811 14.282 ( 6.316 0.629 0.442) 6.363 15.399 ( -13.396 1.195 2.102) 13.612 15.986 ( -3.256 -3.624 -2.723) 5.581 16.134 ( 3.611 -1.133 0.513) 3.819 16.795 ( 2.721 -1.016 -3.073) 4.228 16.827 ( -4.905 -5.199 5.699) 9.142 17.358 ( 6.696 1.451 -9.652) 11.836 18.833 ( -2.293 6.098 -0.003) 6.514 18.858 ( 1.405 -2.126 2.875) 3.841 19.201 ( -1.494 -0.842 2.161) 2.759 19.385 ( -1.002 6.905 -1.717) 7.186 19.482 ( 2.910 -3.858 4.552) 6.639 ======================= Grid point 220 (126/226) ======================= q-point: (-0.36 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.248 ( -12.488 -9.837 -4.226) 16.449 2.452 ( -11.616 -16.578 -5.683) 21.025 3.562 ( 0.174 12.064 -3.254) 12.496 4.198 ( 4.600 -0.263 3.991) 6.095 4.480 ( 0.712 6.241 0.988) 6.359 5.092 ( 21.245 -20.081 4.566) 29.587 5.155 ( -4.273 -7.038 3.709) 9.031 5.626 ( -1.844 2.982 2.560) 4.341 5.882 ( -7.149 5.123 -12.903) 15.616 6.046 ( -0.165 1.399 2.130) 2.553 6.708 ( -1.271 0.522 1.739) 2.216 7.008 ( -1.958 -2.932 0.630) 3.582 7.545 ( -1.151 14.239 -1.262) 14.341 7.955 ( 2.094 6.667 3.576) 7.850 8.502 ( 0.134 -4.073 -2.262) 4.661 8.837 ( -8.716 5.625 0.087) 10.373 9.874 ( 18.186 -4.958 -2.675) 19.039 10.832 ( -7.514 -3.335 3.116) 8.791 14.439 ( 10.329 0.501 1.212) 10.412 15.182 ( -14.902 2.525 2.156) 15.268 15.852 ( -2.460 -10.051 -1.355) 10.436 16.210 ( 6.420 -2.664 0.004) 6.951 16.610 ( -8.919 -8.564 3.321) 12.803 16.867 ( 1.876 2.746 -5.932) 6.801 17.405 ( 2.948 2.404 -9.201) 9.957 18.853 ( -1.963 4.119 1.676) 4.861 18.886 ( 1.304 0.384 1.682) 2.162 19.166 ( -2.649 -1.194 1.958) 3.504 19.424 ( -0.048 4.254 -1.394) 4.477 19.580 ( 5.679 0.063 8.731) 10.416 ======================= Grid point 221 (127/226) ======================= q-point: (-0.27 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.963 ( -3.267 -12.580 -5.080) 13.955 2.150 ( 2.838 -22.158 -6.834) 23.361 3.652 ( -2.505 12.680 -1.838) 13.055 4.227 ( -1.724 -7.226 2.940) 7.989 4.586 ( -0.854 11.828 0.331) 11.864 4.918 ( 5.662 -31.341 7.917) 32.817 5.373 ( 14.375 0.110 1.401) 14.444 5.597 ( -1.336 -2.375 -3.526) 4.457 5.733 ( -8.300 9.468 -8.061) 14.950 6.039 ( -7.411 4.201 1.999) 8.750 6.677 ( -2.976 -0.147 0.919) 3.118 6.964 ( 2.334 -5.683 0.084) 6.144 7.749 ( 0.838 21.650 2.535) 21.814 8.069 ( -0.358 8.893 2.220) 9.173 8.469 ( 1.625 -2.531 -2.943) 4.208 8.782 ( -2.278 4.816 -1.120) 5.444 9.998 ( 3.589 -7.843 -3.067) 9.155 10.733 ( -0.473 -4.263 4.722) 6.379 14.618 ( 7.157 -0.097 0.733) 7.195 15.008 ( -7.095 2.216 2.588) 7.870 15.695 ( -1.210 -14.962 0.306) 15.014 16.253 ( 1.312 -7.234 -1.356) 7.476 16.444 ( -1.405 -4.373 3.400) 5.715 16.866 ( -0.696 3.320 -7.420) 8.158 17.409 ( -0.618 4.265 -7.163) 8.360 18.864 ( -1.710 2.020 2.552) 3.677 18.929 ( 1.231 2.229 1.342) 2.878 19.114 ( -3.089 -1.343 1.853) 3.845 19.448 ( 0.430 1.091 -0.845) 1.445 19.745 ( 4.842 3.538 9.235) 11.011 ======================= Grid point 222 (128/226) ======================= q-point: (-0.18 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.785 ( 5.543 -21.447 -8.969) 23.898 2.078 ( 16.748 -23.501 -1.428) 28.893 3.690 ( -5.411 9.003 -0.837) 10.538 4.008 ( -5.198 -17.798 2.761) 18.746 4.703 ( 2.621 10.867 -2.568) 11.470 4.891 ( 8.998 -13.421 6.113) 17.276 5.481 ( -2.418 0.725 -11.392) 11.668 5.630 ( 5.692 4.246 1.445) 7.247 5.638 ( -6.125 1.752 0.923) 6.437 5.955 ( -7.136 4.322 3.839) 9.184 6.637 ( -1.731 0.263 0.975) 2.004 6.978 ( 5.688 -6.074 -0.391) 8.331 7.935 ( -6.806 20.822 2.926) 22.101 8.133 ( -3.027 8.622 1.213) 9.218 8.457 ( 0.931 -1.764 -2.998) 3.601 8.898 ( 10.162 7.405 -1.967) 12.726 9.804 ( -12.243 -10.231 -1.396) 16.016 10.785 ( 6.930 -4.840 3.586) 9.182 14.609 ( -6.205 1.868 -1.221) 6.594 15.102 ( 12.621 -0.861 3.707) 13.182 15.523 ( -0.312 -18.196 2.150) 18.325 16.113 ( -4.600 -8.141 -0.240) 9.353 16.501 ( 6.929 -3.667 1.944) 8.077 16.836 ( -2.814 5.239 -6.543) 8.842 17.393 ( -3.021 6.020 -4.839) 8.294 18.864 ( -1.777 0.846 3.341) 3.878 18.986 ( 1.532 2.916 1.363) 3.565 19.060 ( -2.535 -1.429 1.583) 3.313 19.453 ( 0.805 -1.224 -0.538) 1.561 19.893 ( 1.253 5.448 6.908) 8.887 ======================= Grid point 223 (129/226) ======================= q-point: (-0.09 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( 12.444 -22.693 -8.545) 27.255 2.098 ( 12.999 -30.561 2.354) 33.294 3.660 ( -0.168 0.701 0.428) 0.838 3.920 ( 5.886 -3.769 1.841) 7.228 4.808 ( 3.296 0.629 -3.269) 4.685 4.931 ( 0.838 -2.632 0.188) 2.768 5.366 ( -6.187 4.487 -4.727) 8.986 5.494 ( -6.980 1.848 -3.854) 8.184 5.781 ( 2.062 -0.227 5.161) 5.563 5.958 ( 0.531 4.426 3.452) 5.638 6.647 ( 1.389 1.275 1.159) 2.214 7.011 ( 5.710 -6.618 -2.166) 9.005 7.975 ( -11.672 19.857 0.628) 23.042 8.164 ( -3.139 7.410 1.062) 8.117 8.429 ( -0.587 -2.422 -1.319) 2.820 9.147 ( 3.196 5.014 -0.516) 5.968 9.491 ( -5.150 -6.148 -0.619) 8.044 10.856 ( 5.164 -5.987 1.582) 8.063 14.541 ( -2.930 4.336 -2.189) 5.672 15.288 ( 0.667 -7.483 3.766) 8.404 15.424 ( 14.893 -14.088 2.779) 20.688 15.988 ( -1.494 -6.197 1.934) 6.662 16.566 ( 5.171 -6.115 -0.218) 8.012 16.804 ( -4.907 7.795 -4.652) 10.320 17.372 ( -4.251 6.560 -2.536) 8.218 18.860 ( -1.883 0.458 3.994) 4.440 19.012 ( -1.864 0.987 -0.762) 2.243 19.064 ( 2.566 1.058 3.019) 4.101 19.449 ( 1.145 -2.391 -0.080) 2.652 19.962 ( -2.812 5.596 3.304) 7.081 ======================= Grid point 226 (130/226) ======================= q-point: ( 0.18 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( 25.119 -7.843 3.629) 26.564 2.079 ( 28.558 6.905 -1.245) 29.407 3.684 ( -8.423 0.433 -0.076) 8.435 4.053 ( 11.830 -14.681 -2.461) 19.014 4.654 ( -10.675 6.763 3.201) 13.037 4.932 ( 15.691 -1.908 2.476) 16.000 5.358 ( 0.713 -0.257 1.457) 1.642 5.526 ( -8.618 -2.751 7.124) 11.515 5.770 ( 1.839 6.145 -8.013) 10.264 6.020 ( -4.343 -2.891 -3.520) 6.294 6.676 ( 0.152 -1.620 -3.644) 3.991 6.976 ( 7.931 0.393 -0.205) 7.943 7.983 ( -23.266 3.140 -2.388) 23.598 8.145 ( -8.354 1.207 -0.413) 8.451 8.405 ( 0.855 1.362 3.057) 3.454 8.861 ( -1.301 12.829 2.271) 13.093 9.768 ( 3.280 -14.050 2.684) 14.675 10.835 ( 6.513 1.925 -2.127) 7.117 14.576 ( -4.002 -5.337 2.539) 7.138 15.160 ( 6.362 10.907 -3.023) 12.983 15.567 ( 15.279 -8.361 -2.718) 17.628 16.097 ( 5.629 -5.714 1.972) 8.260 16.536 ( 8.286 1.528 -1.372) 8.536 16.745 ( -9.932 2.243 2.531) 10.492 17.343 ( -7.079 1.235 1.278) 7.298 18.890 ( -1.624 0.714 0.202) 1.785 19.005 ( -1.716 1.643 -1.064) 2.603 19.101 ( -0.198 -2.213 -2.843) 3.608 19.436 ( 0.922 0.227 1.376) 1.672 19.964 ( -5.591 1.678 -0.861) 5.900 ======================= Grid point 227 (131/226) ======================= q-point: ( 0.27 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.088 ( 26.164 -2.304 4.469) 26.643 2.659 ( 30.498 6.410 -1.515) 31.202 3.493 ( -12.374 0.482 -1.767) 12.509 4.035 ( 2.041 -5.738 -0.503) 6.111 4.543 ( -12.007 6.248 2.818) 13.825 5.065 ( -6.725 -4.628 7.658) 11.193 5.385 ( 4.316 0.040 -5.549) 7.030 5.503 ( 4.531 -6.422 2.759) 8.329 5.820 ( -1.478 -0.113 -1.767) 2.306 5.954 ( 11.284 2.796 -4.362) 12.417 6.637 ( -1.393 0.221 -3.652) 3.915 7.102 ( 3.141 2.301 0.546) 3.932 7.625 ( -16.684 -1.063 -0.528) 16.726 8.021 ( -7.182 2.008 -0.639) 7.485 8.458 ( 2.280 0.586 2.885) 3.724 8.978 ( -2.931 13.653 1.638) 14.060 9.633 ( -1.408 -16.331 1.000) 16.422 10.958 ( 5.695 2.568 -1.142) 6.351 14.448 ( -6.443 -3.630 1.479) 7.542 15.368 ( 6.743 9.403 -2.226) 11.783 15.776 ( 17.506 -3.841 -1.564) 17.991 16.120 ( 3.336 -4.333 -1.907) 5.791 16.596 ( -6.493 0.783 0.292) 6.546 16.731 ( 8.309 0.445 3.906) 9.192 17.232 ( -7.084 -0.596 2.192) 7.440 18.866 ( -1.125 0.196 -2.017) 2.317 18.963 ( -3.074 -0.157 0.105) 3.079 19.093 ( 2.002 0.244 -2.758) 3.417 19.454 ( -0.861 1.661 1.291) 2.273 19.853 ( -7.394 -0.457 -1.137) 7.495 ======================= Grid point 228 (132/226) ======================= q-point: ( 0.36 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.535 ( 23.309 -0.066 4.747) 23.787 3.121 ( 15.856 -5.846 0.046) 16.900 3.296 ( -0.304 -4.183 -4.273) 5.987 4.084 ( 0.975 9.370 2.235) 9.682 4.395 ( -8.708 -0.609 -0.258) 8.733 4.852 ( -15.733 0.102 4.130) 16.266 5.380 ( -1.787 0.102 -7.656) 7.863 5.479 ( 0.351 -2.731 2.948) 4.034 5.729 ( -5.118 0.570 -1.891) 5.486 6.366 ( 24.740 1.759 5.253) 25.352 6.595 ( -2.264 1.889 -4.195) 5.127 7.046 ( -11.275 3.561 -3.523) 12.337 7.478 ( 1.267 -5.133 3.412) 6.293 7.947 ( -3.661 3.230 -1.136) 5.012 8.526 ( 3.263 0.392 1.759) 3.728 9.008 ( -3.190 0.876 0.107) 3.310 9.462 ( -5.099 -5.110 0.444) 7.233 11.051 ( 3.263 1.079 -0.361) 3.456 14.321 ( -6.223 -0.598 0.665) 6.287 15.526 ( 6.633 1.201 -1.392) 6.883 16.009 ( 7.157 -1.229 3.083) 7.890 16.136 ( 6.163 1.787 -6.369) 9.041 16.505 ( -3.584 -1.686 2.767) 4.832 16.901 ( 8.567 0.605 0.391) 8.597 17.126 ( -4.632 -2.684 2.569) 5.938 18.833 ( -0.299 -1.437 -2.809) 3.170 18.924 ( -2.903 1.954 1.689) 3.886 19.126 ( 2.741 0.540 -2.222) 3.570 19.455 ( -2.114 2.291 1.536) 3.475 19.701 ( -8.108 -1.280 -1.355) 8.319 ======================= Grid point 229 (133/226) ======================= q-point: ( 0.45 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.790 ( 1.133 -11.575 1.719) 11.757 3.091 ( 4.142 6.436 -2.322) 7.998 3.445 ( 19.796 -20.463 0.403) 28.475 4.036 ( -17.170 4.889 0.718) 17.867 4.423 ( 8.783 5.448 -0.271) 10.339 4.636 ( -10.769 1.960 -2.458) 11.219 5.362 ( -1.601 10.027 -0.070) 10.154 5.459 ( -0.768 -3.996 2.470) 4.760 5.681 ( -1.191 2.255 1.580) 3.000 6.512 ( -7.441 1.971 -5.125) 9.248 6.712 ( 2.776 1.656 8.050) 8.675 6.944 ( 6.313 2.862 -6.607) 9.576 7.492 ( 3.193 -5.399 2.628) 6.801 7.940 ( -1.393 3.729 -1.021) 4.110 8.559 ( -0.272 -2.800 -0.412) 2.843 8.954 ( 7.217 -10.368 -1.726) 12.750 9.379 ( -8.855 9.033 2.208) 12.841 11.080 ( 0.065 -0.933 0.187) 0.954 14.245 ( -3.635 1.893 0.782) 4.173 15.594 ( 3.374 -4.021 -0.712) 5.297 16.015 ( -1.882 -1.635 2.425) 3.478 16.216 ( -0.965 -1.069 -1.785) 2.293 16.534 ( 6.875 3.129 -1.727) 7.748 16.977 ( -0.890 -6.442 5.603) 8.584 17.104 ( 5.738 2.394 -6.139) 8.738 18.809 ( 0.879 -2.026 -0.308) 2.230 18.917 ( -2.402 3.785 1.154) 4.629 19.166 ( 2.620 -0.048 -1.123) 2.851 19.449 ( -1.628 0.680 2.475) 3.039 19.558 ( -7.129 1.371 -0.712) 7.295 ======================= Grid point 230 (134/226) ======================= q-point: (-0.45 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.521 ( -8.986 -17.228 -3.791) 19.797 3.157 ( -7.167 -9.967 -0.971) 12.315 3.501 ( 3.436 0.830 -2.338) 4.238 3.931 ( 5.239 1.935 1.966) 5.921 4.497 ( -3.331 0.153 -4.420) 5.537 4.595 ( 4.555 1.982 4.504) 6.705 5.321 ( -4.987 -4.943 3.183) 7.710 5.611 ( 5.548 10.805 2.751) 12.454 5.738 ( 4.211 4.478 2.765) 6.740 6.296 ( -11.201 -3.020 -8.474) 14.366 6.733 ( -1.613 2.853 2.171) 3.932 7.082 ( 2.403 1.546 0.503) 2.901 7.527 ( 4.532 0.150 -1.659) 4.828 7.941 ( -2.267 4.800 -0.186) 5.312 8.486 ( 0.018 -6.414 -0.631) 6.445 9.060 ( 11.094 -4.160 -2.195) 12.050 9.349 ( -4.794 7.767 3.194) 9.670 11.036 ( -3.261 -2.922 0.866) 4.464 14.249 ( 0.385 3.128 1.573) 3.522 15.554 ( -3.225 -3.458 0.178) 4.732 15.967 ( -2.126 -5.596 0.020) 5.986 16.117 ( -3.851 -4.548 2.657) 6.525 16.682 ( 6.907 3.480 -7.225) 10.584 16.879 ( -4.347 -7.996 5.366) 10.565 17.220 ( 7.247 4.919 -8.938) 12.514 18.823 ( 2.065 -1.581 2.241) 3.433 18.925 ( -2.045 4.537 0.191) 4.980 19.194 ( 1.330 -0.857 -0.067) 1.584 19.432 ( 0.256 -3.895 2.326) 4.544 19.513 ( -3.921 7.563 3.310) 9.139 ======================= Grid point 231 (135/226) ======================= q-point: (-0.36 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.160 ( -7.244 -20.854 -6.736) 23.081 2.695 ( -24.785 -13.467 -4.173) 28.514 3.617 ( 3.830 10.219 -3.985) 11.618 4.115 ( 9.142 -2.301 2.930) 9.872 4.494 ( 3.045 3.860 -0.461) 4.938 4.688 ( 5.520 -11.138 9.779) 15.817 5.215 ( -3.983 -1.761 3.504) 5.589 5.653 ( -1.619 -4.955 0.603) 5.248 5.943 ( 2.666 9.072 -7.239) 11.909 6.077 ( -3.297 1.821 -3.333) 5.029 6.745 ( -1.072 1.879 0.333) 2.189 7.037 ( -4.753 -4.079 0.818) 6.317 7.651 ( 4.236 13.290 -2.093) 14.104 8.000 ( 2.078 6.814 2.040) 7.410 8.446 ( 1.045 -3.935 -0.563) 4.110 9.082 ( -8.934 6.536 0.307) 11.074 9.481 ( 16.375 -5.410 0.176) 17.247 10.926 ( -5.976 -4.612 2.036) 7.818 14.334 ( 4.637 2.663 2.484) 5.896 15.427 ( -9.650 -0.270 0.592) 9.671 15.800 ( -5.014 -11.682 -1.840) 12.845 16.085 ( 2.887 -6.455 3.937) 8.093 16.660 ( -4.908 -7.723 0.059) 9.151 16.825 ( 2.047 3.750 -7.110) 8.295 17.332 ( 5.007 5.652 -7.265) 10.478 18.863 ( 1.954 -0.759 2.822) 3.515 18.938 ( -1.654 4.728 -0.355) 5.022 19.190 ( -0.527 -1.138 0.178) 1.267 19.430 ( 1.352 -2.286 1.829) 3.224 19.591 ( 0.927 6.265 8.479) 10.583 ======================= Grid point 232 (136/226) ======================= q-point: (-0.27 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.800 ( -3.772 -23.285 -9.846) 25.561 2.119 ( -21.311 -14.347 -5.689) 26.313 3.760 ( 2.253 10.660 -3.243) 11.368 4.111 ( 1.716 -25.129 2.156) 25.279 4.594 ( 3.141 -11.317 10.073) 15.473 4.686 ( 2.090 7.199 2.801) 8.002 5.283 ( 5.734 8.139 2.721) 10.321 5.558 ( -0.459 -3.645 -5.647) 6.737 5.898 ( -6.053 7.517 -6.463) 11.615 6.134 ( 0.433 2.475 -1.663) 3.013 6.726 ( -2.346 0.214 -0.377) 2.386 6.912 ( -3.233 -6.012 0.796) 6.872 7.913 ( 6.156 20.497 1.500) 21.454 8.142 ( 3.428 8.639 1.881) 9.483 8.423 ( 0.050 -1.653 -1.373) 2.150 8.958 ( -11.929 6.192 0.520) 13.450 9.703 ( 16.733 -9.461 -1.802) 19.307 10.781 ( -6.288 -5.754 3.918) 9.380 14.477 ( 7.984 0.858 2.782) 8.499 15.228 ( -13.344 0.025 -0.200) 13.346 15.593 ( -3.100 -14.244 -0.435) 14.584 16.097 ( 4.991 -9.081 1.346) 10.449 16.484 ( -6.261 -6.244 1.815) 9.027 16.864 ( 1.441 6.092 -7.893) 10.074 17.414 ( 2.017 5.929 -5.132) 8.097 18.897 ( 0.652 0.200 1.792) 1.917 18.960 ( -0.737 4.252 0.158) 4.318 19.161 ( -1.973 -0.868 1.021) 2.385 19.435 ( 0.632 -2.231 0.891) 2.484 19.752 ( 4.537 4.959 10.568) 12.524 ======================= Grid point 233 (137/226) ======================= q-point: (-0.18 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.475 ( 0.211 -23.468 -12.181) 26.442 1.695 ( -3.100 -20.983 -3.373) 21.477 3.629 ( -1.962 -42.183 -1.893) 42.271 3.959 ( -0.327 5.791 2.971) 6.517 4.651 ( 3.386 1.906 7.482) 8.430 4.868 ( 3.440 13.924 -0.743) 14.362 5.435 ( 1.511 2.924 -7.286) 7.995 5.583 ( 6.405 4.338 4.171) 8.789 5.816 ( -8.118 5.183 -4.721) 10.726 6.094 ( -4.305 0.242 -1.131) 4.458 6.675 ( -2.657 -0.858 0.157) 2.796 6.845 ( 1.968 -6.143 0.618) 6.480 8.205 ( 1.497 15.374 4.682) 16.140 8.289 ( -0.752 15.375 0.125) 15.394 8.412 ( 1.401 -0.012 -1.924) 2.380 8.857 ( -2.774 4.245 -1.344) 5.246 9.774 ( 3.107 -11.101 -2.797) 11.862 10.687 ( 0.220 -6.041 5.275) 8.023 14.622 ( 5.429 -0.429 0.722) 5.494 15.024 ( -5.356 -3.721 0.806) 6.571 15.409 ( -2.881 -13.647 1.551) 14.034 16.062 ( 0.837 -8.947 -1.277) 9.077 16.395 ( 0.855 -4.163 2.588) 4.976 16.905 ( -0.693 7.590 -3.611) 8.433 17.460 ( -0.553 5.986 -3.534) 6.974 18.910 ( -0.670 0.961 1.056) 1.577 19.000 ( 0.637 3.132 1.039) 3.361 19.118 ( -3.256 -0.625 2.103) 3.926 19.418 ( 0.408 -3.182 0.134) 3.210 19.936 ( 4.156 4.745 8.502) 10.586 ======================= Grid point 234 (138/226) ======================= q-point: (-0.09 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( 5.867 -23.173 -10.502) 26.109 1.570 ( 14.479 -28.369 2.923) 31.984 3.226 ( 12.941 -46.020 -2.468) 47.869 4.033 ( -4.540 12.298 1.510) 13.196 4.766 ( 0.303 5.010 5.502) 7.447 5.024 ( -0.242 12.115 -4.614) 12.966 5.399 ( -1.448 2.287 -8.256) 8.688 5.667 ( -9.295 3.829 -4.090) 10.853 5.776 ( 4.744 3.091 7.498) 9.396 6.027 ( -2.755 -0.209 1.288) 3.048 6.643 ( -0.086 -0.767 0.926) 1.206 6.846 ( 4.504 -6.197 -0.793) 7.702 8.294 ( -3.012 7.571 0.844) 8.192 8.370 ( -9.680 16.168 3.370) 19.143 8.422 ( -1.495 2.389 -2.198) 3.574 9.026 ( 14.395 7.901 -1.667) 16.505 9.559 ( -10.907 -12.244 -1.923) 16.510 10.715 ( 5.330 -6.117 3.287) 8.754 14.607 ( -3.466 0.656 -3.103) 4.698 15.067 ( 12.956 -9.275 3.858) 16.394 15.250 ( -2.494 -10.193 3.364) 11.020 15.965 ( -1.765 -6.032 -0.078) 6.285 16.422 ( 4.623 -4.324 0.186) 6.332 16.945 ( -3.120 8.530 0.218) 9.085 17.476 ( -2.344 5.641 -2.145) 6.474 18.910 ( -1.110 1.004 1.487) 2.110 19.056 ( 1.752 2.586 1.305) 3.385 19.068 ( -3.311 -0.388 2.778) 4.340 19.397 ( 1.222 -3.635 -0.071) 3.836 20.057 ( 0.049 4.587 3.678) 5.879 ======================= Grid point 270 (139/226) ======================= q-point: ( 0.18 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.687 ( -0.000 0.000 18.780) 18.780 0.687 ( -0.000 0.000 18.780) 18.780 1.399 ( -0.000 0.000 37.800) 37.800 4.515 ( 0.000 -0.000 -0.556) 0.556 4.933 ( 0.000 -0.000 -11.713) 11.713 4.933 ( 0.000 -0.000 -11.713) 11.713 5.635 ( 0.000 -0.000 -9.092) 9.092 6.010 ( -0.000 0.000 7.898) 7.898 6.010 ( -0.000 0.000 7.898) 7.898 6.666 ( -0.000 0.000 1.572) 1.572 6.666 ( -0.000 0.000 1.572) 1.572 7.200 ( -0.000 0.000 3.046) 3.046 8.446 ( 0.000 -0.000 -4.768) 4.768 8.558 ( -0.000 0.000 0.604) 0.604 9.066 ( 0.000 -0.000 -1.134) 1.134 9.066 ( 0.000 0.000 -1.134) 1.134 9.145 ( -0.000 0.000 0.590) 0.590 9.145 ( 0.000 0.000 0.590) 0.590 14.610 ( -0.000 0.000 0.689) 0.689 14.610 ( 0.000 0.000 0.689) 0.689 15.040 ( 0.000 -0.000 -2.333) 2.333 15.040 ( 0.000 -0.000 -2.333) 2.333 16.389 ( -0.000 0.000 2.709) 2.709 16.389 ( -0.000 0.000 2.709) 2.709 17.598 ( 0.000 -0.000 -0.931) 0.931 18.955 ( -0.000 0.000 0.303) 0.303 18.990 ( -0.000 0.000 0.873) 0.873 19.122 ( 0.000 -0.000 -0.475) 0.475 19.122 ( 0.000 -0.000 -0.475) 0.475 19.996 ( 0.000 -0.000 -0.010) 0.010 ======================= Grid point 271 (140/226) ======================= q-point: ( 0.27 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.853 ( 1.072 29.215 13.696) 32.284 1.377 ( 24.700 4.308 20.339) 32.286 1.778 ( 27.782 10.685 22.672) 37.417 4.383 ( -9.273 -5.185 -0.250) 10.627 4.790 ( -3.902 0.428 -11.039) 11.716 4.943 ( 4.120 -4.513 -10.505) 12.153 5.566 ( -1.500 -0.957 -9.039) 9.213 5.894 ( -7.210 -5.238 6.506) 11.034 6.149 ( -0.007 3.766 5.845) 6.953 6.434 ( -19.163 -11.312 12.555) 25.550 6.716 ( 4.048 -1.975 1.958) 4.911 6.905 ( -10.564 1.666 9.923) 14.589 8.366 ( -3.070 -1.604 -3.872) 5.195 8.446 ( -3.842 -2.663 -1.920) 5.053 8.936 ( -9.709 3.127 -0.834) 10.234 9.060 ( -3.047 -9.769 0.343) 10.239 9.251 ( 10.484 0.333 -0.546) 10.503 9.828 ( 33.011 20.871 -13.953) 41.473 14.564 ( 1.756 -5.525 -0.414) 5.812 14.754 ( 5.689 9.538 2.232) 11.328 15.038 ( -2.282 9.508 -3.567) 10.408 15.373 ( 22.938 4.693 -11.089) 25.907 16.439 ( 0.841 1.652 2.872) 3.418 16.556 ( 14.306 7.324 -3.192) 16.386 17.600 ( 0.715 0.258 -0.837) 1.131 18.920 ( -4.368 -1.310 -0.434) 4.581 18.984 ( -0.461 1.087 -0.782) 1.416 19.114 ( 0.298 -1.522 -0.665) 1.687 19.156 ( 2.597 1.532 -0.434) 3.046 19.963 ( -1.725 -2.715 -1.538) 3.565 ======================= Grid point 272 (141/226) ======================= q-point: ( 0.36 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( 8.937 24.541 8.911) 27.596 1.731 ( 6.710 2.795 23.504) 24.602 2.730 ( 46.356 20.448 4.475) 50.863 4.167 ( -9.622 -5.148 0.843) 10.945 4.642 ( -5.813 -1.937 -8.058) 10.123 4.885 ( 3.708 -9.324 -7.909) 12.776 5.483 ( -1.751 -1.046 -5.766) 6.117 5.718 ( -9.239 -8.632 3.733) 13.183 6.082 ( -11.634 2.649 5.399) 13.096 6.263 ( -4.706 -0.544 11.264) 12.220 6.779 ( 1.897 1.768 1.965) 3.254 6.913 ( 0.987 2.858 4.181) 5.160 8.284 ( -2.597 -0.901 -3.236) 4.246 8.328 ( -4.558 -4.166 -2.677) 6.730 8.792 ( -17.011 8.940 0.996) 19.243 8.843 ( -1.685 -20.234 -1.322) 20.347 9.456 ( 11.475 2.779 0.073) 11.807 10.328 ( 18.299 10.543 -9.099) 22.995 14.552 ( 4.791 -7.665 -0.660) 9.063 14.933 ( -1.363 12.331 -1.011) 12.448 15.163 ( 8.560 11.909 -0.350) 14.671 15.626 ( 11.438 0.404 -7.047) 13.441 16.485 ( 1.614 0.788 1.935) 2.640 16.853 ( 11.125 7.516 -2.629) 13.681 17.617 ( 0.904 0.177 1.040) 1.390 18.788 ( -7.041 -1.743 -3.771) 8.176 18.991 ( 0.223 1.638 -1.075) 1.972 19.097 ( -0.118 -0.953 -1.220) 1.552 19.215 ( 3.443 0.448 -1.291) 3.704 19.881 ( -1.626 -4.400 -3.414) 5.802 ======================= Grid point 273 (142/226) ======================= q-point: ( 0.45 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.706 ( 11.019 17.082 5.680) 21.106 2.007 ( 8.552 4.253 15.688) 18.367 3.660 ( 33.090 20.436 0.037) 38.892 3.959 ( -9.169 -3.515 -0.158) 9.821 4.519 ( 2.497 -5.959 -3.711) 7.451 4.800 ( 1.112 -9.116 -4.922) 10.419 5.374 ( -7.998 -6.487 -1.375) 10.389 5.531 ( -2.705 -2.539 0.795) 3.794 5.975 ( -8.673 5.104 2.864) 10.463 6.254 ( -3.662 2.748 7.482) 8.772 6.832 ( -0.714 5.430 0.755) 5.528 7.003 ( 6.164 -1.217 1.167) 6.390 8.175 ( -6.505 -4.439 -2.728) 8.334 8.214 ( -4.559 -3.236 -2.261) 6.031 8.476 ( -14.771 -7.070 1.788) 16.473 8.693 ( -4.676 -4.074 -0.805) 6.253 9.681 ( 11.018 2.510 0.918) 11.338 10.617 ( 11.282 6.518 -5.274) 14.057 14.566 ( 6.441 -8.376 -0.589) 10.583 14.964 ( -5.294 11.056 -3.688) 12.801 15.500 ( 13.389 12.949 2.124) 18.747 15.745 ( 6.940 -0.314 -3.160) 7.632 16.535 ( 2.925 0.419 0.221) 2.963 17.015 ( 1.266 3.289 3.096) 4.691 17.631 ( -2.740 -0.745 7.467) 7.988 18.639 ( -3.575 -1.099 -8.225) 9.036 19.012 ( 0.877 1.783 -0.683) 2.101 19.078 ( -0.158 -0.214 -2.220) 2.236 19.259 ( 2.890 -0.508 -2.616) 3.931 19.798 ( -0.595 -3.685 -3.627) 5.205 ======================= Grid point 274 (143/226) ======================= q-point: ( 0.55 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.027 ( 6.832 9.418 2.161) 11.834 2.298 ( 12.823 5.157 9.875) 16.987 3.627 ( -17.345 -7.215 2.746) 18.985 4.282 ( 11.579 15.525 -3.211) 19.632 4.626 ( 16.186 -8.681 0.498) 18.374 4.701 ( -1.336 -2.845 -4.801) 5.738 5.161 ( -3.515 -4.683 -2.357) 6.312 5.549 ( 2.219 2.013 0.602) 3.056 5.904 ( -5.788 3.417 0.689) 6.757 6.309 ( 0.975 6.528 6.321) 9.139 6.875 ( -0.409 5.811 -1.092) 5.927 7.082 ( 4.566 -3.752 -1.296) 6.050 7.824 ( -20.321 -16.644 -0.659) 26.276 8.053 ( -6.442 0.486 -4.127) 7.666 8.376 ( 1.975 -0.011 3.234) 3.789 8.574 ( -5.908 -1.664 0.991) 6.218 9.876 ( 8.598 0.918 1.787) 8.830 10.794 ( 6.475 4.146 -3.824) 8.587 14.595 ( 6.453 -7.772 -0.620) 10.121 14.952 ( -5.072 9.358 -3.216) 11.120 15.829 ( 6.522 7.532 -0.316) 9.968 15.861 ( 11.339 3.026 1.233) 11.800 16.592 ( 3.444 0.944 -1.850) 4.022 17.002 ( -5.872 -1.536 4.947) 7.830 17.556 ( -10.794 -3.359 12.313) 16.716 18.591 ( 3.651 1.346 -8.129) 9.013 19.030 ( -0.141 -0.691 -0.401) 0.811 19.085 ( 1.891 2.745 -2.030) 3.903 19.275 ( 2.080 -0.513 -4.217) 4.730 19.757 ( 1.036 -1.798 -2.494) 3.245 ======================= Grid point 275 (144/226) ======================= q-point: ( 0.64 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.143 ( 0.942 1.085 1.034) 1.771 2.608 ( 8.528 2.825 4.071) 9.863 3.286 ( -12.647 -5.370 4.140) 14.350 4.417 ( 1.838 -3.140 -1.823) 4.069 4.582 ( -7.572 -1.195 -6.196) 9.857 4.815 ( 8.785 6.814 7.239) 13.267 5.234 ( 10.135 1.675 -4.189) 11.094 5.615 ( 2.792 1.306 -0.403) 3.109 5.861 ( -1.641 0.970 -0.561) 1.987 6.460 ( 1.903 4.978 3.347) 6.294 6.891 ( -4.832 -7.552 -7.588) 11.745 6.986 ( -6.458 3.520 -0.861) 7.405 7.400 ( -6.331 -10.851 1.660) 12.672 7.968 ( -1.990 2.060 -3.640) 4.632 8.475 ( 0.932 1.564 3.365) 3.826 8.480 ( -1.275 0.722 3.605) 3.892 10.000 ( 4.595 -1.563 2.553) 5.484 10.878 ( 2.349 2.110 -3.526) 4.733 14.621 ( 4.797 -5.849 -0.829) 7.610 14.952 ( -2.639 7.271 -1.855) 7.955 15.947 ( 4.532 1.154 0.608) 4.716 16.091 ( 7.291 4.166 0.659) 8.423 16.643 ( 1.599 2.758 -3.688) 4.875 16.868 ( -8.581 -5.228 6.015) 11.711 17.368 ( -11.913 -4.461 9.405) 15.820 18.671 ( 5.870 2.680 -2.837) 7.049 19.003 ( -0.569 -1.415 -1.699) 2.283 19.145 ( 1.224 2.288 0.852) 2.731 19.293 ( 3.404 1.784 -5.082) 6.371 19.768 ( 2.703 -0.395 -1.766) 3.253 ======================= Grid point 276 (145/226) ======================= q-point: (-0.27 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.111 ( -4.217 -3.272 0.238) 5.342 2.469 ( -17.261 -12.271 3.255) 21.426 3.339 ( 10.820 6.678 3.657) 13.231 4.369 ( -2.134 -2.287 -3.181) 4.462 4.462 ( -1.023 2.782 -1.882) 3.511 5.110 ( 10.719 7.577 4.040) 13.734 5.362 ( 2.607 4.016 2.683) 5.488 5.640 ( -1.501 0.327 -0.768) 1.718 5.800 ( -6.340 -12.939 -1.592) 14.497 6.170 ( -18.350 -9.110 -4.950) 21.076 6.729 ( -0.822 2.367 -3.666) 4.440 7.056 ( 0.245 2.082 -2.015) 2.908 7.417 ( 12.688 2.731 0.357) 12.983 7.990 ( 3.018 4.109 -2.926) 5.878 8.425 ( -2.755 -0.847 4.371) 5.235 8.619 ( 4.413 4.961 3.442) 7.479 10.024 ( -0.220 -4.377 3.076) 5.354 10.879 ( -1.108 0.189 -3.619) 3.789 14.632 ( 2.853 -3.989 -0.874) 4.982 14.987 ( 0.003 5.658 -0.908) 5.731 15.944 ( -4.749 -4.741 -0.258) 6.715 16.222 ( 4.027 2.729 0.570) 4.898 16.622 ( -4.507 1.381 -2.944) 5.557 16.721 ( -5.637 -5.207 6.942) 10.348 17.251 ( -2.166 -0.420 5.123) 5.578 18.784 ( 4.683 2.590 0.365) 5.364 18.972 ( -0.096 -1.349 -2.111) 2.507 19.160 ( -1.253 1.213 -0.103) 1.747 19.372 ( 4.192 3.027 -1.883) 5.503 19.814 ( 4.219 0.155 -2.770) 5.049 ======================= Grid point 277 (146/226) ======================= q-point: (-0.18 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.889 ( -18.064 -8.057 2.997) 20.005 2.056 ( -15.181 -13.113 4.249) 20.505 3.623 ( 10.819 7.436 1.537) 13.218 4.285 ( -6.965 -1.339 -3.742) 8.019 4.577 ( 7.458 7.669 1.257) 10.771 5.040 ( -26.551 -20.251 -5.245) 33.802 5.360 ( 3.384 -4.053 2.680) 5.921 5.497 ( 5.597 0.621 5.264) 7.709 5.692 ( 2.035 4.151 -1.201) 4.776 6.067 ( -0.464 5.003 -1.439) 5.226 6.706 ( -2.184 1.630 -2.505) 3.702 6.977 ( -4.371 -4.552 -1.499) 6.486 7.796 ( 21.060 10.024 -2.650) 23.474 8.103 ( 6.100 4.914 -1.806) 8.039 8.410 ( -0.773 -1.167 3.836) 4.083 8.752 ( 3.148 5.383 2.321) 6.654 9.943 ( -4.774 -6.781 3.188) 8.885 10.809 ( -3.522 -1.550 -3.942) 5.509 14.631 ( 2.067 -3.751 -0.728) 4.344 15.036 ( -0.385 4.726 -0.788) 4.807 15.713 ( -12.924 -7.053 -1.750) 14.827 16.218 ( -5.815 -3.464 2.996) 7.402 16.512 ( -4.711 -2.311 -4.474) 6.896 16.728 ( 4.081 2.457 7.643) 9.006 17.323 ( 4.410 3.254 3.232) 6.363 18.875 ( 2.485 2.125 0.808) 3.368 18.959 ( 1.628 -0.646 -2.016) 2.670 19.142 ( -1.943 1.799 -1.267) 2.935 19.436 ( 0.996 0.816 0.436) 1.359 19.878 ( 5.713 0.002 -5.567) 7.977 ======================= Grid point 282 (147/226) ======================= q-point: ( 0.27 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( 26.758 18.088 13.831) 35.135 1.450 ( -14.873 32.533 14.398) 38.560 1.890 ( -2.450 15.271 25.952) 30.211 4.398 ( 0.373 -9.564 0.687) 9.596 4.657 ( 0.264 -7.786 -9.756) 12.485 4.924 ( -3.689 4.157 -12.067) 13.286 5.528 ( -0.051 0.951 -10.024) 10.069 5.937 ( -1.557 -9.180 6.998) 11.648 6.183 ( 3.860 1.768 5.319) 6.806 6.532 ( -0.034 -17.304 10.703) 20.346 6.687 ( -4.093 0.828 1.901) 4.588 6.936 ( 6.412 -12.351 8.190) 16.148 8.353 ( 0.140 -1.669 -4.194) 4.516 8.430 ( -0.360 -5.819 -1.860) 6.120 8.942 ( 10.537 -9.523 -0.627) 14.217 9.028 ( -10.858 -5.653 0.305) 12.246 9.326 ( -5.081 12.637 0.276) 13.623 9.712 ( 2.798 36.101 -11.966) 38.135 14.578 ( -7.209 -0.336 0.144) 7.218 14.737 ( 7.019 7.151 2.253) 10.270 15.027 ( 9.960 3.456 -4.194) 11.346 15.328 ( -8.375 23.614 -9.414) 26.765 16.378 ( 0.716 -2.186 2.631) 3.495 16.612 ( -0.426 15.902 -0.420) 15.914 17.593 ( -0.157 0.748 -0.914) 1.192 18.928 ( 0.982 -3.805 -0.183) 3.934 18.980 ( 0.960 -0.467 -0.443) 1.156 19.099 ( -1.310 -1.294 -0.582) 1.931 19.167 ( 0.019 4.002 -0.582) 4.045 19.948 ( -1.246 -4.540 -0.979) 4.809 ======================= Grid point 283 (148/226) ======================= q-point: ( 0.36 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.609 ( 1.233 25.148 7.624) 26.307 1.740 ( 11.122 8.845 20.981) 25.341 2.375 ( 23.224 32.955 9.373) 41.391 4.248 ( -6.515 -8.255 2.238) 10.752 4.566 ( 3.189 -9.146 -7.479) 12.238 4.782 ( -5.429 -2.272 -9.669) 11.319 5.475 ( -1.337 1.987 -7.912) 8.266 5.789 ( -7.064 -11.595 4.932) 14.445 6.259 ( -2.971 0.733 2.052) 3.684 6.362 ( -4.377 -8.745 13.571) 16.728 6.737 ( 4.033 2.187 1.857) 4.950 6.944 ( 0.722 -4.944 3.819) 6.289 8.282 ( -2.873 -4.326 -3.387) 6.200 8.350 ( -2.155 -1.621 -2.676) 3.800 8.732 ( -6.994 -14.406 0.424) 16.019 9.127 ( 9.954 -3.626 -1.154) 10.657 9.257 ( -11.028 11.446 0.420) 15.900 10.144 ( 15.441 20.480 -8.463) 27.009 14.468 ( -2.957 -3.344 -0.411) 4.483 15.013 ( 10.831 12.379 2.624) 16.657 15.187 ( 2.435 6.235 -2.053) 7.001 15.442 ( 5.151 15.290 -10.644) 19.329 16.430 ( 4.630 -2.301 2.102) 5.582 16.809 ( 5.165 15.994 -1.316) 16.859 17.605 ( 0.977 1.454 -0.245) 1.769 18.854 ( -4.490 -4.265 -2.539) 6.693 18.992 ( 0.917 0.796 -1.474) 1.910 19.066 ( -0.203 -1.943 -0.574) 2.037 19.204 ( 0.387 3.152 -0.446) 3.207 19.846 ( -2.480 -6.885 -1.157) 7.409 ======================= Grid point 284 (149/226) ======================= q-point: ( 0.45 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.888 ( 0.057 23.431 7.675) 24.656 2.050 ( 5.608 8.509 13.828) 17.177 3.259 ( 35.885 29.091 0.120) 46.196 4.072 ( -8.050 -6.689 4.180) 11.270 4.447 ( -2.296 -8.846 -6.329) 11.117 4.653 ( 1.150 -5.942 -4.915) 7.796 5.424 ( -4.148 -1.365 -3.074) 5.340 5.572 ( -5.927 -7.592 2.710) 10.006 6.154 ( -7.251 -0.438 0.601) 7.289 6.356 ( -1.622 -1.135 8.830) 9.050 6.856 ( 4.848 4.252 1.192) 6.557 6.914 ( 0.417 -4.563 -0.240) 4.588 8.140 ( -3.481 -10.069 -2.617) 10.971 8.296 ( -4.216 2.975 -2.141) 5.586 8.479 ( -5.263 -15.625 1.033) 16.520 9.022 ( -18.970 11.442 1.747) 22.222 9.399 ( 16.970 -5.859 -1.017) 17.982 10.498 ( 11.289 13.133 -4.972) 18.018 14.409 ( 1.439 -5.691 -0.585) 5.899 15.201 ( -7.051 15.289 -2.325) 16.996 15.382 ( 14.993 7.788 1.102) 16.931 15.620 ( 7.203 7.168 -4.530) 11.126 16.491 ( 3.313 -0.245 0.480) 3.357 17.026 ( 4.144 7.730 1.635) 8.922 17.667 ( 2.492 3.170 4.209) 5.829 18.673 ( -7.500 -4.113 -7.245) 11.209 19.012 ( 1.057 1.929 -1.947) 2.938 19.043 ( 0.455 -2.345 -1.071) 2.618 19.233 ( 0.441 1.752 -0.670) 1.927 19.743 ( -0.744 -6.024 -1.484) 6.248 ======================= Grid point 285 (150/226) ======================= q-point: ( 0.55 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.177 ( 2.541 23.100 4.127) 23.603 2.269 ( 2.678 9.476 7.882) 12.613 3.840 ( -14.020 -7.664 3.585) 16.376 4.083 ( 31.940 19.356 -3.939) 37.555 4.318 ( 2.454 -9.995 -2.071) 10.498 4.632 ( 3.046 -3.051 -0.336) 4.324 5.218 ( -9.309 -7.299 -0.782) 11.855 5.550 ( 1.181 2.508 0.926) 2.923 6.011 ( -6.737 -3.420 -2.364) 7.917 6.389 ( -0.020 3.172 6.663) 7.379 6.870 ( 1.285 -4.845 -3.593) 6.167 6.987 ( 4.312 4.432 -0.055) 6.184 7.903 ( -9.733 -15.971 -0.950) 18.727 8.147 ( -8.426 -3.574 -4.310) 10.117 8.383 ( 1.069 -0.080 4.683) 4.804 8.823 ( -17.067 9.250 2.402) 19.561 9.618 ( 16.498 -7.967 -0.211) 18.323 10.737 ( 6.546 9.501 -3.145) 11.959 14.394 ( 4.697 -7.512 -0.485) 8.873 15.196 ( -8.576 14.925 -3.036) 17.479 15.684 ( 12.367 2.760 -1.863) 12.808 15.802 ( 7.082 8.934 2.277) 11.626 16.554 ( 3.007 2.749 -0.957) 4.186 17.080 ( -2.643 -1.349 2.656) 3.982 17.746 ( -4.536 -0.602 13.786) 14.525 18.506 ( -0.247 0.330 -12.578) 12.585 19.018 ( -0.130 -2.009 -1.115) 2.301 19.053 ( 2.617 2.703 -2.223) 4.370 19.245 ( 0.211 0.960 -1.310) 1.638 19.691 ( 1.368 -4.124 -1.433) 4.575 ======================= Grid point 286 (151/226) ======================= q-point: ( 0.64 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.338 ( -8.576 19.403 -0.383) 21.217 2.531 ( 9.777 10.163 6.217) 15.412 3.495 ( -16.633 -9.011 2.950) 19.146 4.283 ( 4.889 -8.314 -1.460) 9.755 4.570 ( 7.655 -1.308 -5.799) 9.692 4.753 ( 10.213 8.316 8.246) 15.539 5.083 ( 3.470 1.658 -4.012) 5.558 5.603 ( 1.193 1.753 1.051) 2.366 5.852 ( -2.725 -8.017 -2.939) 8.963 6.491 ( 2.346 5.125 2.886) 6.332 6.803 ( 0.462 -8.061 -6.760) 10.530 7.067 ( -0.066 4.393 -1.368) 4.602 7.515 ( -15.961 -11.526 2.042) 19.793 7.997 ( -3.550 -1.430 -3.755) 5.362 8.481 ( 3.622 4.330 5.167) 7.653 8.660 ( -12.484 6.365 2.901) 14.310 9.786 ( 13.327 -10.432 0.653) 16.937 10.875 ( 2.116 7.085 -2.567) 7.827 14.410 ( 6.623 -8.537 -0.570) 10.820 15.180 ( -8.468 14.855 -2.371) 17.262 15.856 ( 7.718 1.348 -0.446) 7.847 16.022 ( 6.856 5.583 1.643) 8.993 16.642 ( 2.743 6.219 -0.937) 6.862 16.971 ( -6.803 -5.965 3.121) 9.571 17.594 ( -14.331 -8.025 10.926) 19.727 18.565 ( 7.862 5.213 -6.329) 11.360 18.985 ( -0.422 -2.004 -1.474) 2.524 19.132 ( 3.669 3.250 -0.356) 4.915 19.251 ( 0.692 1.885 -2.902) 3.529 19.686 ( 3.054 -3.166 -1.756) 4.736 ======================= Grid point 287 (152/226) ======================= q-point: (-0.27 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.329 ( -12.117 15.272 0.089) 19.495 2.661 ( -9.962 -0.029 2.989) 10.401 3.290 ( 1.229 0.491 5.004) 5.176 4.290 ( 4.883 -5.442 -2.970) 7.891 4.490 ( -4.326 -2.032 -3.124) 5.710 4.995 ( 9.086 0.289 4.470) 10.130 5.324 ( 11.263 9.639 1.273) 14.879 5.614 ( 0.201 -4.033 -1.794) 4.419 5.751 ( 1.127 -7.610 -0.400) 7.703 6.371 ( -16.661 -9.455 -6.761) 20.315 6.723 ( 1.502 0.245 -1.581) 2.194 7.080 ( -1.051 4.059 -2.813) 5.049 7.323 ( -0.573 0.617 4.056) 4.143 7.955 ( 1.484 0.559 -3.435) 3.783 8.524 ( -5.779 0.403 3.107) 6.574 8.662 ( 1.749 10.490 4.119) 11.405 9.864 ( 8.846 -13.501 1.371) 16.199 10.922 ( -1.953 5.183 -2.607) 6.122 14.440 ( 7.154 -8.546 -1.139) 11.203 15.180 ( -7.177 14.503 -1.264) 16.231 15.950 ( 0.922 -0.797 0.300) 1.255 16.157 ( 5.225 1.993 -0.262) 5.598 16.725 ( -2.274 6.075 0.072) 6.487 16.807 ( -6.596 -5.913 5.148) 10.245 17.337 ( -8.876 -7.521 5.743) 12.974 18.724 ( 6.363 4.536 -0.681) 7.844 18.950 ( -0.443 -1.763 -1.659) 2.461 19.190 ( -0.386 0.901 1.269) 1.604 19.312 ( 4.972 4.699 -3.313) 7.601 19.704 ( 4.269 -3.144 -3.582) 6.399 ======================= Grid point 288 (153/226) ======================= q-point: (-0.18 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.188 ( -18.430 1.313 2.481) 18.642 2.359 ( -21.177 4.027 4.975) 22.123 3.503 ( 11.664 5.284 3.630) 13.310 4.272 ( 0.772 -3.111 -4.501) 5.526 4.494 ( 6.588 1.136 -0.461) 6.701 5.134 ( 9.296 -10.845 -2.030) 14.427 5.273 ( -18.819 -13.873 -8.002) 24.711 5.639 ( -10.427 2.181 11.048) 15.347 5.675 ( 7.082 8.094 0.281) 10.758 6.090 ( -0.767 -0.435 -2.146) 2.320 6.732 ( -0.454 0.580 -1.105) 1.328 7.029 ( -5.274 0.123 -2.139) 5.693 7.529 ( 16.000 6.394 0.731) 17.246 8.013 ( 5.966 1.457 -3.078) 6.870 8.458 ( -3.495 -0.487 2.731) 4.462 8.823 ( 1.424 11.884 1.800) 12.103 9.835 ( 4.123 -16.635 1.807) 17.234 10.885 ( -5.395 3.683 -2.991) 7.185 14.467 ( 6.302 -7.732 -2.041) 10.181 15.204 ( -5.716 13.388 -0.342) 14.561 15.845 ( -9.508 -3.834 -0.483) 10.264 16.218 ( 0.925 -3.716 -0.762) 3.904 16.644 ( -10.159 1.885 -0.568) 10.348 16.739 ( 0.106 -1.314 8.072) 8.179 17.289 ( 3.615 -0.955 4.666) 5.980 18.854 ( 4.047 3.710 0.786) 5.546 18.921 ( 0.287 -1.380 -2.004) 2.450 19.181 ( -1.530 0.896 0.025) 1.774 19.418 ( 3.072 2.735 -0.560) 4.151 19.724 ( 5.470 -2.980 -7.579) 9.810 ======================= Grid point 293 (154/226) ======================= q-point: ( 0.27 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( -5.231 20.247 11.884) 24.052 1.855 ( -2.400 4.881 24.098) 24.705 2.524 ( -24.579 37.754 4.796) 45.304 4.229 ( 6.425 -10.161 1.246) 12.087 4.577 ( -1.790 -4.549 -6.465) 8.105 4.932 ( -0.981 2.829 -11.917) 12.287 5.475 ( 1.477 2.337 -8.728) 9.156 5.868 ( 4.512 -7.312 7.381) 11.327 6.069 ( 7.705 -8.726 2.324) 11.871 6.366 ( 7.294 -11.575 14.510) 19.943 6.789 ( 2.492 -5.295 3.401) 6.769 6.823 ( -7.267 2.122 2.048) 7.843 8.288 ( 3.387 -1.670 -4.003) 5.503 8.351 ( 1.080 -4.646 -2.189) 5.248 8.695 ( 5.924 -12.284 0.615) 13.652 9.178 ( -1.443 1.160 0.183) 1.860 9.338 ( 2.663 6.896 -0.964) 7.455 10.135 ( -16.070 22.212 -9.482) 29.009 14.692 ( 4.175 2.215 0.238) 4.732 14.773 ( -9.253 6.047 0.181) 11.055 14.974 ( -2.909 3.681 -2.559) 5.344 15.621 ( -5.846 16.507 -6.941) 18.837 16.419 ( -5.256 -1.780 1.695) 5.803 16.801 ( -3.996 13.787 -1.104) 14.397 17.615 ( -1.207 1.923 0.019) 2.271 18.810 ( 5.251 -6.288 -1.641) 8.355 18.971 ( -0.248 -0.159 -0.129) 0.321 19.093 ( -0.073 -1.717 -0.581) 1.814 19.218 ( -1.117 4.814 -1.699) 5.225 19.898 ( 0.926 -3.916 -2.843) 4.927 ======================= Grid point 294 (155/226) ======================= q-point: ( 0.36 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( 16.278 18.594 7.997) 25.974 1.993 ( -2.453 5.454 20.629) 21.479 2.706 ( -5.393 46.201 2.738) 46.596 4.210 ( 2.697 -11.391 3.501) 12.218 4.447 ( -3.636 -4.374 -4.694) 7.375 4.803 ( -5.475 -2.394 -11.144) 12.645 5.470 ( 0.124 3.869 -8.366) 9.218 5.779 ( -3.718 -14.106 5.502) 15.591 6.200 ( 8.448 -3.150 1.246) 9.102 6.385 ( -0.119 -12.137 13.673) 18.283 6.746 ( -0.539 1.268 2.361) 2.733 6.847 ( 3.487 -3.140 1.468) 4.916 8.258 ( -2.689 -7.354 -2.802) 8.317 8.321 ( 3.254 0.415 -3.183) 4.571 8.679 ( 1.921 -16.065 1.426) 16.242 8.938 ( -5.888 -3.849 -0.902) 7.092 9.589 ( -0.685 13.551 -0.095) 13.569 10.144 ( -0.134 20.951 -7.330) 22.196 14.588 ( -11.605 0.597 0.740) 11.644 14.860 ( 12.420 3.518 -3.136) 13.284 15.146 ( 8.195 12.346 1.003) 14.852 15.646 ( -7.213 18.883 -7.519) 21.566 16.371 ( 0.605 -1.280 2.487) 2.862 16.914 ( 0.906 13.317 -0.082) 13.348 17.626 ( -0.553 3.808 0.487) 3.879 18.799 ( 2.034 -7.139 -3.235) 8.097 18.972 ( 0.514 -0.170 -0.058) 0.544 19.063 ( -0.850 -1.552 -0.710) 1.906 19.240 ( -0.755 4.337 -1.737) 4.733 19.813 ( -2.297 -6.986 -1.504) 7.506 ======================= Grid point 295 (156/226) ======================= q-point: ( 0.45 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.016 ( 17.937 14.799 2.611) 23.400 2.122 ( -0.932 6.589 15.715) 17.066 3.212 ( 9.683 43.008 -1.173) 44.100 4.144 ( -2.996 -7.900 6.820) 10.858 4.332 ( -0.950 -6.907 -3.668) 7.878 4.618 ( -4.681 -3.557 -7.422) 9.468 5.463 ( -1.952 3.195 -4.603) 5.933 5.581 ( -4.562 -13.475 4.140) 14.816 6.196 ( -2.071 -6.080 -3.314) 7.227 6.389 ( 1.386 -3.646 11.068) 11.735 6.790 ( 3.125 -3.504 -0.132) 4.697 6.882 ( 2.183 1.986 1.642) 3.377 8.097 ( -4.393 -9.576 -2.724) 10.882 8.352 ( -0.144 0.974 -2.168) 2.381 8.442 ( -6.543 -14.764 2.799) 16.390 8.987 ( 13.112 -6.242 -2.453) 14.727 9.541 ( -17.559 13.897 1.300) 22.430 10.412 ( 11.251 14.261 -4.200) 18.644 14.425 ( -7.359 -1.134 0.421) 7.458 15.126 ( 16.817 1.193 -4.318) 17.403 15.409 ( 3.815 15.325 2.992) 16.074 15.670 ( -4.408 15.902 -5.912) 17.529 16.423 ( 4.287 -0.426 1.500) 4.562 17.057 ( 2.334 7.154 1.104) 7.606 17.699 ( 1.870 7.573 3.815) 8.683 18.681 ( -3.976 -7.531 -7.543) 11.376 18.982 ( 1.148 -0.618 -0.329) 1.345 19.034 ( -0.585 -0.289 -0.946) 1.149 19.251 ( -0.730 2.532 -1.642) 3.104 19.700 ( -1.896 -6.382 0.051) 6.658 ======================= Grid point 296 (157/226) ======================= q-point: ( 0.55 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.287 ( 3.124 8.186 11.146) 14.178 2.435 ( 9.228 21.518 -1.367) 23.453 3.776 ( 18.367 21.008 -3.902) 28.176 4.000 ( -9.770 -6.086 3.229) 11.955 4.221 ( -1.438 -5.961 -1.573) 6.330 4.569 ( 3.249 1.021 1.352) 3.664 5.298 ( -8.774 -8.827 1.535) 12.540 5.550 ( 2.270 1.958 -0.088) 2.999 6.030 ( -5.594 -8.782 -6.047) 12.041 6.443 ( 0.739 0.735 7.530) 7.602 6.753 ( 1.349 -7.005 -4.204) 8.281 6.991 ( 3.149 6.102 1.861) 7.115 7.891 ( -6.269 -11.770 -1.022) 13.374 8.180 ( -5.045 -11.179 -1.354) 12.339 8.403 ( 0.177 2.750 2.649) 3.822 9.132 ( 8.082 -5.171 -1.284) 9.680 9.374 ( -11.996 7.903 1.542) 14.448 10.692 ( 8.876 10.303 -2.153) 13.769 14.322 ( -2.688 -3.062 0.454) 4.099 15.356 ( 8.977 2.200 -2.350) 9.537 15.574 ( -0.809 16.121 -3.916) 16.609 15.795 ( 5.277 9.502 1.817) 11.020 16.512 ( 4.717 2.099 0.281) 5.170 17.105 ( -0.951 -1.676 1.177) 2.258 17.862 ( 1.269 4.836 12.816) 13.757 18.466 ( -4.786 -3.062 -14.499) 15.572 18.984 ( 0.596 -2.148 -0.247) 2.243 19.040 ( 1.093 2.407 -1.428) 3.004 19.251 ( -0.247 1.175 -1.420) 1.860 19.634 ( -0.169 -4.350 0.752) 4.418 ======================= Grid point 297 (158/226) ======================= q-point: ( 0.64 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.503 ( 5.107 9.021 6.330) 12.146 2.731 ( -1.586 27.950 -1.507) 28.035 3.679 ( -14.430 -10.930 -0.047) 18.102 4.114 ( 5.434 -8.777 3.595) 10.931 4.289 ( 16.234 6.784 -7.322) 19.057 4.733 ( 6.727 5.636 8.559) 12.258 5.110 ( -5.600 -0.444 -1.470) 5.807 5.604 ( 1.272 0.700 0.645) 1.589 5.781 ( -5.333 -13.332 -6.113) 15.606 6.517 ( 1.176 3.269 2.158) 4.090 6.676 ( 1.153 -6.499 -4.731) 8.121 7.094 ( 1.551 4.329 -0.099) 4.599 7.647 ( -9.614 -9.313 2.151) 13.557 8.015 ( -3.623 -4.796 -3.398) 6.904 8.481 ( 3.373 2.933 4.094) 6.061 9.032 ( -17.051 8.073 2.513) 19.033 9.419 ( 13.691 -10.157 -0.705) 17.061 10.886 ( 4.548 7.710 -1.299) 9.045 14.275 ( 1.109 -4.517 0.449) 4.673 15.434 ( -4.437 10.728 -2.114) 11.800 15.727 ( 7.732 6.203 -2.659) 10.263 15.987 ( 5.447 6.467 1.825) 8.650 16.634 ( 5.191 4.788 0.944) 7.125 17.020 ( -4.598 -6.101 1.356) 7.759 17.797 ( -13.020 -10.880 9.216) 19.308 18.455 ( 7.498 9.183 -8.691) 14.700 18.963 ( -0.134 -2.212 -0.476) 2.266 19.101 ( 3.199 3.702 -0.811) 4.960 19.254 ( 0.106 1.543 -1.814) 2.384 19.607 ( 1.032 -3.690 0.296) 3.843 ======================= Grid point 298 (159/226) ======================= q-point: (-0.27 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.638 ( -4.441 9.586 1.499) 10.670 2.935 ( -7.555 25.809 1.559) 26.937 3.347 ( -9.168 -8.733 1.791) 12.788 4.123 ( 4.876 -6.450 0.107) 8.086 4.478 ( 3.863 -2.267 -2.675) 5.217 4.872 ( 4.861 -6.087 4.864) 9.184 5.219 ( 10.829 12.108 -0.843) 16.266 5.543 ( -0.589 -10.735 -2.922) 11.141 5.643 ( 2.105 -3.435 0.636) 4.079 6.449 ( -7.032 -5.032 -7.811) 11.653 6.679 ( 2.902 0.629 0.380) 2.994 7.119 ( -0.819 1.818 -2.165) 2.943 7.459 ( -8.176 -0.070 5.996) 10.140 7.924 ( -0.914 -1.253 -4.010) 4.299 8.583 ( 1.507 0.754 2.652) 3.142 8.875 ( -11.280 10.949 3.635) 16.135 9.527 ( 12.992 -14.951 -0.350) 19.810 10.985 ( 0.211 5.707 -1.193) 5.834 14.271 ( 3.719 -5.006 -0.080) 6.236 15.435 ( -6.902 12.654 -2.160) 14.575 15.897 ( 6.434 2.914 0.748) 7.102 16.109 ( 2.863 3.505 -0.818) 4.599 16.761 ( 2.406 0.023 1.572) 2.874 16.892 ( -4.113 -1.569 3.919) 5.894 17.460 ( -13.652 -12.152 1.854) 18.371 18.656 ( 7.439 7.171 -0.748) 10.359 18.933 ( -0.520 -1.985 -0.880) 2.233 19.192 ( 2.491 1.354 1.724) 3.318 19.279 ( 2.213 5.160 -3.708) 6.728 19.592 ( 2.017 -4.161 -1.584) 4.888 ======================= Grid point 299 (160/226) ======================= q-point: (-0.18 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.512 ( -17.115 -0.299 2.163) 17.253 2.878 ( -21.045 19.265 2.604) 28.650 3.387 ( 9.378 3.408 4.254) 10.847 4.143 ( 5.158 -6.040 -4.785) 9.273 4.446 ( -0.789 -0.970 1.228) 1.753 4.865 ( 5.018 -15.598 -1.495) 16.453 5.344 ( -4.198 -3.283 -3.538) 6.397 5.603 ( 9.749 6.873 -2.173) 12.125 5.727 ( 8.523 -0.608 6.124) 10.513 6.175 ( -13.501 -1.922 -3.267) 14.023 6.720 ( 1.473 0.346 -0.752) 1.690 7.099 ( -2.083 1.675 -2.961) 3.989 7.457 ( 1.311 4.491 6.238) 7.797 7.918 ( 3.265 0.377 -3.616) 4.887 8.535 ( -5.034 -2.009 1.334) 5.582 8.940 ( 0.145 12.925 2.010) 13.082 9.551 ( 8.647 -17.587 0.038) 19.598 10.995 ( -3.708 4.068 -1.478) 5.700 14.297 ( 4.917 -4.352 -1.218) 6.678 15.431 ( -6.242 11.421 -1.454) 13.096 15.951 ( -4.064 0.343 1.322) 4.287 16.158 ( 1.567 -0.435 -2.336) 2.847 16.712 ( -0.241 -6.583 6.186) 9.037 16.880 ( -8.543 4.436 0.067) 9.626 17.237 ( 0.611 -6.581 4.202) 7.832 18.820 ( 5.082 4.645 0.686) 6.919 18.899 ( -0.502 -1.641 -1.526) 2.297 19.209 ( -0.776 -0.297 0.856) 1.193 19.389 ( 4.030 5.537 -1.393) 6.988 19.572 ( 3.050 -4.070 -5.823) 7.732 ======================= Grid point 304 (161/226) ======================= q-point: ( 0.27 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( -13.125 20.838 8.923) 26.194 2.065 ( -3.744 5.740 17.497) 18.791 3.315 ( -27.628 26.112 -1.992) 38.067 4.019 ( 7.565 -10.787 2.029) 13.331 4.559 ( -1.516 3.474 -3.490) 5.152 4.879 ( 1.896 0.905 -9.987) 10.206 5.440 ( 1.326 2.599 -4.286) 5.185 5.688 ( 14.867 -4.383 4.365) 16.103 5.880 ( 0.482 -12.571 2.348) 12.798 6.257 ( 2.661 -8.362 10.880) 13.978 6.749 ( -1.259 -4.362 0.974) 4.643 6.985 ( -6.528 4.099 1.188) 7.799 8.159 ( 4.119 -5.614 -4.245) 8.155 8.275 ( 2.738 -6.399 -0.420) 6.973 8.495 ( 5.195 -8.786 1.802) 10.364 9.013 ( 19.649 9.965 -2.803) 22.209 9.514 ( -14.748 -2.505 1.440) 15.028 10.499 ( -10.918 14.182 -5.963) 18.865 14.640 ( -0.029 -4.329 -1.841) 4.704 14.901 ( 3.051 13.205 -1.654) 13.653 15.225 ( -19.406 3.144 1.492) 19.716 15.775 ( -1.223 10.195 -2.745) 10.629 16.512 ( -4.470 1.839 0.336) 4.845 16.967 ( -3.936 4.162 1.644) 5.960 17.667 ( -0.767 1.353 4.488) 4.750 18.638 ( 5.202 -4.545 -5.325) 8.722 18.982 ( -1.205 0.335 -0.257) 1.277 19.068 ( 0.337 -1.806 -0.870) 2.033 19.265 ( -0.499 4.140 -2.958) 5.113 19.819 ( 1.845 -2.693 -3.827) 5.030 ======================= Grid point 305 (162/226) ======================= q-point: ( 0.36 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.690 ( -5.903 22.505 7.705) 24.509 2.166 ( -1.818 4.497 15.936) 16.658 3.285 ( -10.519 37.362 -2.391) 38.888 4.030 ( 5.756 -12.342 3.491) 14.059 4.505 ( -5.509 1.911 -2.462) 6.329 4.788 ( -3.470 -2.997 -10.257) 11.235 5.448 ( 0.931 1.763 -6.004) 6.326 5.734 ( -3.309 -11.020 3.361) 11.987 5.954 ( 15.451 -5.791 1.348) 16.555 6.299 ( 4.382 -10.263 13.639) 17.623 6.713 ( 1.204 -4.017 0.574) 4.233 6.912 ( -6.097 4.322 0.740) 7.510 8.167 ( 4.215 -6.521 -2.902) 8.290 8.206 ( 2.430 -10.439 -1.298) 10.796 8.525 ( 2.704 -3.858 1.073) 4.832 9.097 ( -14.830 -7.273 0.526) 16.526 9.529 ( 16.405 12.483 -3.015) 20.833 10.430 ( -11.252 15.408 -4.099) 19.514 14.624 ( 5.978 -3.114 -3.791) 7.733 14.935 ( -17.621 4.556 0.696) 18.214 15.168 ( 7.146 16.401 2.158) 18.020 15.854 ( -1.541 13.229 -4.165) 13.955 16.432 ( -6.194 1.659 1.379) 6.559 17.000 ( 0.646 5.264 1.530) 5.520 17.703 ( -1.071 5.188 4.058) 6.674 18.641 ( 4.482 -6.768 -5.426) 9.764 18.972 ( -0.413 0.201 0.300) 0.549 19.047 ( 0.046 -1.927 -0.735) 2.063 19.282 ( -0.537 4.167 -3.173) 5.265 19.765 ( -0.812 -5.648 -2.614) 6.276 ======================= Grid point 306 (163/226) ======================= q-point: ( 0.45 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.904 ( 8.024 14.015 2.264) 16.308 2.267 ( -0.988 5.081 12.104) 13.164 3.586 ( -1.460 39.656 -3.150) 39.808 4.033 ( 5.746 -10.486 4.347) 12.723 4.406 ( -7.388 2.816 0.876) 7.955 4.619 ( -5.126 -4.168 -7.592) 10.064 5.449 ( 3.127 -2.867 -3.934) 5.786 5.566 ( -6.617 -7.529 1.962) 10.214 6.075 ( 5.712 -7.723 -2.955) 10.050 6.362 ( 4.121 -5.998 12.877) 14.791 6.705 ( 1.564 -3.706 -0.828) 4.107 6.907 ( -0.109 4.759 1.821) 5.097 8.049 ( -2.544 -11.734 -0.595) 12.021 8.215 ( 6.583 -12.334 -1.798) 14.096 8.472 ( -5.000 -2.222 0.762) 5.524 8.845 ( -3.710 -4.003 -1.977) 5.805 9.839 ( 2.198 12.181 -1.298) 12.446 10.418 ( -1.561 12.916 -2.125) 13.183 14.610 ( -10.337 0.282 1.130) 10.402 14.846 ( 10.073 1.262 -4.992) 11.313 15.471 ( 7.072 15.603 3.910) 17.571 15.909 ( -5.638 15.439 -6.038) 17.510 16.390 ( -0.645 0.601 2.449) 2.603 17.074 ( 2.017 1.628 1.445) 2.968 17.796 ( 0.655 8.962 6.796) 11.266 18.576 ( 0.795 -7.822 -9.258) 12.147 18.971 ( -0.095 -0.689 0.994) 1.213 19.030 ( 0.084 -0.305 -1.084) 1.129 19.283 ( -1.310 2.696 -3.466) 4.582 19.676 ( -1.650 -5.328 0.151) 5.580 ======================= Grid point 307 (164/226) ======================= q-point: ( 0.55 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.282 ( 20.780 10.339 -1.232) 23.243 2.386 ( 1.317 8.581 7.729) 11.624 3.813 ( 0.080 7.074 -1.893) 7.323 4.054 ( -2.021 3.810 -2.456) 4.964 4.332 ( -9.742 7.340 2.661) 12.485 4.543 ( 3.570 3.330 1.132) 5.011 5.346 ( -5.516 -11.810 3.487) 13.493 5.509 ( 2.339 2.799 -3.060) 4.761 5.983 ( -3.300 -8.571 -5.854) 10.891 6.456 ( 3.229 -0.869 8.453) 9.091 6.666 ( -0.327 -4.017 -2.685) 4.843 7.001 ( 3.232 3.806 2.839) 5.744 7.873 ( -4.253 -11.345 0.333) 12.121 8.081 ( -0.877 -17.298 -0.086) 17.321 8.448 ( -0.269 4.055 -0.018) 4.064 8.843 ( 8.558 -5.013 -3.335) 10.463 9.802 ( -16.567 10.915 0.912) 19.860 10.614 ( 9.649 9.343 -0.991) 13.467 14.429 ( -10.300 0.264 1.638) 10.433 15.080 ( 17.209 -0.052 -4.250) 17.726 15.743 ( 4.761 13.625 3.530) 14.858 15.903 ( -7.236 14.127 -5.909) 16.937 16.446 ( 4.514 0.781 1.848) 4.939 17.093 ( 0.153 -3.416 0.953) 3.550 17.959 ( 1.759 4.149 13.008) 13.767 18.418 ( -3.038 -2.370 -15.809) 16.271 18.963 ( -0.084 -1.975 1.306) 2.369 19.040 ( 0.793 2.275 -1.092) 2.645 19.259 ( -0.966 1.049 -3.082) 3.396 19.620 ( -1.078 -3.022 2.368) 3.988 ======================= Grid point 308 (165/226) ======================= q-point: ( 0.64 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.550 ( 4.573 9.198 5.177) 11.503 2.779 ( 20.660 15.067 -2.266) 25.671 3.709 ( -4.320 -14.235 -3.695) 15.328 4.039 ( -2.564 2.504 2.635) 4.448 4.270 ( -5.016 10.422 -3.657) 12.131 4.740 ( 4.265 6.826 8.198) 11.489 5.189 ( -3.968 -2.268 1.937) 4.964 5.552 ( 2.244 -2.951 -2.936) 4.729 5.753 ( -8.122 -8.474 -4.836) 12.695 6.528 ( 0.444 0.913 -1.809) 2.074 6.615 ( 0.117 -0.836 1.765) 1.957 7.082 ( 2.650 -1.501 1.827) 3.552 7.705 ( -5.455 -6.089 1.622) 8.335 7.943 ( 1.949 -11.241 -1.278) 11.480 8.489 ( 0.709 3.339 1.090) 3.583 8.962 ( 13.468 -6.952 -3.173) 15.485 9.578 ( -20.661 8.156 2.332) 22.335 10.846 ( 7.889 6.626 -0.239) 10.305 14.297 ( -5.991 -0.741 1.598) 6.245 15.345 ( 15.075 0.299 -1.875) 15.195 15.849 ( -7.372 15.161 -4.527) 17.456 15.980 ( 4.658 7.400 1.398) 8.855 16.567 ( 6.719 1.345 1.836) 7.094 17.027 ( -2.535 -6.185 0.923) 6.748 17.901 ( -8.901 -14.690 3.758) 17.582 18.417 ( 4.572 13.439 -6.580) 15.646 18.945 ( -0.272 -2.252 0.900) 2.440 19.090 ( 2.063 3.698 -0.097) 4.235 19.247 ( 0.455 1.134 -2.985) 3.225 19.593 ( -1.347 -1.855 2.912) 3.706 ======================= Grid point 309 (166/226) ======================= q-point: ( 0.73 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.748 ( 3.268 10.140 3.460) 11.201 3.185 ( 7.997 12.845 -0.241) 15.133 3.443 ( -8.594 -4.718 -5.053) 11.029 4.026 ( 0.684 -6.453 5.597) 8.569 4.352 ( 4.615 9.290 -4.705) 11.390 4.775 ( -0.784 -11.261 4.854) 12.288 5.253 ( -0.508 11.121 0.459) 11.142 5.412 ( 0.382 -9.903 -2.343) 10.184 5.628 ( -1.765 -1.802 0.546) 2.581 6.460 ( -3.234 -1.238 -6.024) 6.948 6.670 ( 0.705 3.587 1.501) 3.952 7.086 ( 2.448 -6.212 -0.045) 6.677 7.598 ( -5.235 -0.261 3.830) 6.491 7.890 ( 1.314 -3.708 -3.113) 5.017 8.557 ( 3.064 1.389 1.442) 3.660 9.098 ( 9.687 -3.627 -2.283) 10.592 9.322 ( -15.357 1.626 3.069) 15.745 11.000 ( 3.717 4.525 -0.096) 5.857 14.227 ( -1.982 -1.208 1.074) 2.557 15.544 ( 5.914 3.160 -0.964) 6.774 15.876 ( -0.477 9.858 -1.997) 10.069 16.112 ( 2.374 5.808 -0.207) 6.277 16.682 ( 4.724 -3.977 1.225) 6.295 16.940 ( -1.324 -2.700 3.779) 4.829 17.556 ( -12.565 -13.611 -4.235) 19.002 18.620 ( 5.954 9.320 0.744) 11.085 18.919 ( -0.593 -2.125 0.125) 2.210 19.169 ( 2.647 1.346 1.831) 3.489 19.272 ( 2.114 4.857 -4.239) 6.785 19.562 ( -1.975 -1.921 2.138) 3.488 ======================= Grid point 310 (167/226) ======================= q-point: (-0.18 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.791 ( -12.105 3.991 2.083) 12.915 3.187 ( 3.444 -7.507 -0.725) 8.291 3.469 ( -8.104 23.155 1.209) 24.562 3.987 ( 1.189 -9.342 -0.339) 9.424 4.466 ( 1.035 3.339 0.963) 3.626 4.642 ( 2.308 -16.366 -0.405) 16.532 5.281 ( 6.816 2.101 -2.417) 7.531 5.513 ( 1.389 1.799 -2.698) 3.527 5.623 ( 5.338 1.234 3.771) 6.652 6.354 ( -7.090 2.863 -1.037) 7.716 6.705 ( 0.307 2.484 -1.506) 2.922 7.068 ( 3.028 -5.135 -1.369) 6.116 7.550 ( -3.572 -0.120 4.386) 5.658 7.881 ( 1.008 1.760 -2.316) 3.078 8.584 ( -1.779 -1.702 0.484) 2.509 9.120 ( -8.823 6.064 3.256) 11.190 9.239 ( 10.474 -8.902 -2.252) 13.930 11.061 ( -0.517 2.750 -0.388) 2.825 14.215 ( 1.126 -0.574 -0.105) 1.268 15.594 ( -2.911 5.108 -1.482) 6.063 15.980 ( 2.624 3.308 1.250) 4.404 16.166 ( -1.316 3.886 -1.452) 4.352 16.647 ( 1.455 -8.761 2.050) 9.115 17.000 ( 1.261 2.285 4.553) 5.248 17.217 ( -8.192 -9.938 -3.129) 13.254 18.788 ( 4.563 4.670 1.460) 6.690 18.887 ( -0.647 -1.146 -1.128) 1.734 19.202 ( 0.985 -1.850 1.051) 2.344 19.377 ( 4.262 8.173 -3.300) 9.790 19.510 ( -2.368 -2.441 0.016) 3.401 ======================= Grid point 315 (168/226) ======================= q-point: ( 0.27 0.55 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.018 ( -7.910 22.682 6.268) 24.826 2.303 ( -6.001 9.170 10.140) 14.931 3.752 ( 10.939 -12.287 4.031) 16.937 3.912 ( -23.344 7.738 -3.797) 24.885 4.647 ( -2.250 2.310 -7.747) 8.391 4.823 ( 1.032 10.183 -4.297) 11.101 5.319 ( 14.726 -2.826 2.779) 15.250 5.505 ( -1.798 -1.918 -1.911) 3.251 5.810 ( -1.808 -8.362 1.468) 8.680 6.241 ( -2.350 -4.697 8.550) 10.035 6.750 ( -3.737 -4.376 -0.329) 5.764 7.119 ( -3.058 4.561 -0.521) 5.516 8.008 ( 3.060 -6.750 -4.700) 8.776 8.040 ( 12.696 -14.714 2.057) 19.543 8.425 ( 1.740 3.547 1.354) 4.177 8.762 ( 16.653 6.727 -1.732) 18.044 9.741 ( -13.607 -3.789 2.300) 14.311 10.731 ( -5.955 9.986 -4.194) 12.360 14.589 ( -2.713 -8.039 -2.560) 8.863 14.966 ( 4.525 15.007 -1.092) 15.713 15.603 ( -18.060 3.506 1.921) 18.497 15.873 ( -2.020 7.855 -0.251) 8.114 16.595 ( -1.316 5.003 -1.627) 5.423 17.019 ( -0.022 -3.408 4.009) 5.262 17.667 ( 5.011 -6.109 11.650) 14.077 18.537 ( -0.634 2.425 -8.730) 9.082 19.023 ( -2.799 1.443 0.055) 3.149 19.038 ( 0.405 -1.803 -1.305) 2.262 19.276 ( 0.721 2.716 -4.481) 5.289 19.755 ( 0.467 -1.589 -3.097) 3.512 ======================= Grid point 316 (169/226) ======================= q-point: ( 0.36 0.55 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.147 ( -12.416 23.651 7.722) 27.806 2.364 ( -5.238 10.432 8.279) 14.311 3.716 ( -9.478 18.946 -1.708) 21.254 3.812 ( 7.931 -13.254 3.906) 15.932 4.560 ( -1.378 -2.924 -9.385) 9.926 4.836 ( -7.050 9.572 -4.842) 12.836 5.410 ( -1.562 -5.608 -3.780) 6.941 5.600 ( 18.041 -6.015 2.181) 19.142 5.720 ( -1.431 -4.804 1.361) 5.194 6.240 ( 1.223 -5.580 12.084) 13.366 6.674 ( -0.733 -3.172 0.081) 3.257 7.066 ( -6.403 3.189 -0.493) 7.170 7.983 ( 5.007 -8.426 -3.740) 10.491 8.038 ( 3.774 -13.529 2.572) 14.279 8.499 ( 1.770 3.604 0.320) 4.028 9.138 ( 12.310 3.627 -1.313) 12.901 9.451 ( -7.939 -2.085 -1.091) 8.280 10.707 ( -7.698 11.283 -2.669) 13.917 14.483 ( 2.248 -5.767 -4.227) 7.495 15.211 ( 1.053 10.658 1.930) 10.882 15.348 ( -14.990 11.418 1.706) 18.920 15.936 ( 0.710 7.888 -1.442) 8.050 16.590 ( -5.753 6.341 -0.754) 8.595 17.013 ( 0.879 -2.406 3.437) 4.286 17.755 ( 3.491 -2.655 10.601) 11.473 18.507 ( 0.787 0.671 -9.221) 9.278 18.992 ( -1.209 -0.619 0.381) 1.411 19.026 ( -0.174 -0.075 -0.652) 0.679 19.294 ( 0.848 2.829 -4.465) 5.353 19.709 ( -0.398 -4.102 -2.539) 4.840 ======================= Grid point 317 (170/226) ======================= q-point: ( 0.45 0.55 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.114 ( -13.660 13.344 3.623) 19.437 2.422 ( -3.568 9.399 5.902) 11.658 3.804 ( 3.448 -9.803 2.396) 10.664 3.939 ( 5.097 23.812 1.798) 24.418 4.470 ( 0.744 -1.985 -7.691) 7.978 4.737 ( -11.514 7.724 -2.074) 14.019 5.312 ( 2.036 -8.905 -4.748) 10.295 5.638 ( -4.101 0.413 -1.092) 4.264 5.833 ( 12.672 -7.549 1.523) 14.829 6.303 ( 3.848 -5.316 13.399) 14.920 6.657 ( 0.927 -1.474 -0.100) 1.744 6.996 ( -4.392 3.463 -0.217) 5.598 7.909 ( 1.805 -17.670 1.421) 17.819 8.005 ( 3.879 -7.038 -1.676) 8.209 8.540 ( -1.604 3.317 -0.532) 3.723 8.939 ( -13.488 -8.245 -0.875) 15.833 9.724 ( 18.663 10.713 -3.549) 21.810 10.650 ( -9.641 9.624 -0.465) 13.630 14.520 ( 9.206 -2.427 -4.166) 10.392 15.009 ( -17.735 2.300 1.858) 17.980 15.546 ( 4.834 17.161 2.624) 18.021 16.027 ( 1.757 8.630 -3.758) 9.575 16.521 ( -8.645 5.891 0.844) 10.495 17.038 ( 2.528 -3.126 2.605) 4.791 17.865 ( 4.332 -1.432 11.338) 12.221 18.459 ( -0.501 1.077 -11.861) 11.921 18.972 ( -0.299 -1.956 1.182) 2.305 19.027 ( -0.184 1.800 -0.518) 1.882 19.298 ( -0.323 1.947 -4.739) 5.133 19.649 ( -0.556 -4.065 -0.012) 4.103 ======================= Grid point 318 (171/226) ======================= q-point: ( 0.55 0.55 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.116 ( 3.952 6.365 -0.008) 7.492 2.505 ( -0.804 10.522 3.175) 11.020 3.737 ( 1.433 -13.824 0.138) 13.899 4.187 ( -1.285 11.360 1.094) 11.485 4.486 ( 1.458 -2.591 -0.594) 3.032 4.662 ( -6.539 22.630 -1.502) 23.604 5.250 ( 2.738 -8.523 -3.302) 9.541 5.563 ( -5.222 2.325 -0.383) 5.728 5.897 ( 2.926 -6.362 -1.499) 7.161 6.415 ( 5.524 -2.109 10.173) 11.767 6.649 ( -0.827 -1.106 -0.012) 1.381 6.998 ( 0.758 1.392 0.938) 1.841 7.751 ( 1.237 -19.436 2.255) 19.606 7.951 ( -0.914 -8.977 -1.228) 9.107 8.510 ( -3.423 4.239 -1.329) 5.608 8.737 ( -1.864 -4.076 -2.987) 5.387 10.024 ( 4.097 8.640 -2.564) 9.900 10.614 ( -2.174 7.476 1.461) 7.922 14.618 ( -2.070 -0.173 0.028) 2.078 14.833 ( 1.641 1.610 -1.422) 2.703 15.792 ( 5.073 12.138 2.686) 13.427 16.100 ( -1.858 11.047 -6.851) 13.131 16.455 ( -4.272 2.800 2.790) 5.820 17.046 ( 1.310 -5.084 1.692) 5.516 17.962 ( 4.046 -10.248 9.709) 14.686 18.402 ( -2.198 9.707 -12.276) 15.804 18.955 ( -0.189 -2.256 1.723) 2.845 19.051 ( 0.338 3.185 0.105) 3.204 19.268 ( -1.331 0.942 -4.709) 4.983 19.623 ( -0.043 -1.897 2.906) 3.470 ======================= Grid point 319 (172/226) ======================= q-point: ( 0.64 0.55 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.386 ( 21.036 1.969 -0.509) 21.134 2.656 ( 4.750 12.798 0.692) 13.669 3.580 ( -1.473 -15.543 -3.660) 16.036 4.191 ( -6.665 2.912 4.703) 8.662 4.429 ( -2.999 2.508 -1.265) 4.109 4.867 ( -2.047 19.130 0.451) 19.244 5.187 ( 0.825 -4.967 -0.209) 5.040 5.518 ( -2.251 1.168 -0.516) 2.587 5.802 ( -6.019 -4.322 -1.982) 7.671 6.525 ( 0.752 2.854 -1.519) 3.319 6.637 ( 1.200 -0.457 6.851) 6.970 6.994 ( 1.178 -9.234 0.877) 9.350 7.666 ( 6.506 -11.144 2.258) 13.100 7.812 ( -4.346 -6.446 -0.755) 7.811 8.528 ( -0.329 4.570 -1.105) 4.714 8.715 ( 6.171 -3.529 -4.078) 8.195 9.976 ( -14.766 6.057 -0.210) 15.961 10.759 ( 8.380 5.110 1.371) 9.910 14.468 ( -11.524 1.241 2.262) 11.809 15.046 ( 17.351 0.412 -1.906) 17.460 15.982 ( 4.491 7.133 1.303) 8.529 16.093 ( -7.190 12.271 -6.548) 15.657 16.483 ( 3.731 -0.189 3.055) 4.825 16.999 ( -0.865 -6.281 1.108) 6.436 17.846 ( -3.023 -17.149 -2.569) 17.602 18.484 ( 1.332 14.248 -2.090) 14.462 18.939 ( -0.476 -2.079 1.917) 2.867 19.101 ( 1.072 3.234 1.518) 3.730 19.238 ( -0.271 2.055 -4.593) 5.039 19.629 ( -0.950 -0.137 4.323) 4.428 ======================= Grid point 320 (173/226) ======================= q-point: (-0.27 -0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.717 ( 12.965 1.235 1.630) 13.126 2.999 ( 20.864 10.145 -0.768) 23.212 3.360 ( -2.458 -13.707 -6.022) 15.172 4.106 ( -7.789 0.572 5.155) 9.358 4.447 ( -0.000 7.151 -2.448) 7.558 4.802 ( -12.115 -2.184 -1.154) 12.365 5.291 ( 6.628 4.255 2.966) 8.416 5.447 ( -8.452 2.607 1.249) 8.932 5.658 ( -3.960 -2.201 0.060) 4.531 6.489 ( -3.159 2.466 -4.127) 5.753 6.740 ( 0.002 6.602 4.214) 7.832 6.895 ( 5.043 -18.589 0.493) 19.267 7.693 ( -3.774 -3.125 0.081) 4.901 7.747 ( 7.418 -1.933 0.796) 7.707 8.547 ( 0.172 2.091 -1.141) 2.389 8.830 ( 11.688 -1.644 -3.554) 12.327 9.715 ( -20.320 3.206 1.561) 20.630 10.945 ( 7.115 2.961 1.000) 7.771 14.324 ( -7.939 1.345 1.817) 8.254 15.341 ( 16.408 0.436 -0.072) 16.414 16.028 ( -5.539 9.030 -5.585) 11.976 16.123 ( 2.401 4.048 1.676) 4.996 16.566 ( 4.521 -3.539 1.706) 5.989 16.934 ( -0.285 -4.372 2.273) 4.936 17.558 ( -7.774 -13.824 -8.430) 17.961 18.645 ( 3.065 9.324 1.957) 10.008 18.918 ( -1.010 -1.701 1.402) 2.425 19.148 ( 1.381 -1.022 2.099) 2.713 19.269 ( 1.856 6.922 -3.902) 8.160 19.625 ( -3.024 0.822 4.276) 5.302 ======================= Grid point 321 (174/226) ======================= q-point: (-0.18 -0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.912 ( 12.241 -6.347 -0.271) 13.791 3.058 ( -11.399 -1.103 -1.465) 11.546 3.517 ( 19.866 -1.665 -0.478) 19.942 4.004 ( -7.019 2.598 0.627) 7.510 4.466 ( 0.472 -13.005 0.398) 13.019 4.590 ( -8.938 13.600 -2.731) 16.502 5.279 ( -4.196 0.782 2.729) 5.066 5.504 ( 2.020 4.529 -1.062) 5.071 5.619 ( -0.348 1.080 3.433) 3.616 6.463 ( -2.081 4.876 -0.197) 5.305 6.748 ( -1.462 1.234 -5.998) 6.296 6.877 ( 7.038 -10.849 5.498) 14.052 7.603 ( -3.262 -3.679 -0.918) 5.002 7.852 ( 3.935 2.463 0.753) 4.703 8.571 ( 1.604 -0.343 -0.765) 1.810 8.997 ( 9.441 -1.150 -2.876) 9.936 9.414 ( -16.953 2.571 2.246) 17.293 11.058 ( 3.144 1.074 0.464) 3.354 14.248 ( -3.766 2.157 0.679) 4.393 15.567 ( 8.282 -0.415 0.438) 8.304 16.015 ( -1.918 6.144 -1.975) 6.733 16.190 ( 2.449 -0.523 1.146) 2.754 16.551 ( 0.100 -6.089 -0.216) 6.094 16.964 ( 4.529 -2.256 4.912) 7.052 17.251 ( -8.872 -8.092 -8.634) 14.790 18.779 ( 2.863 4.297 2.361) 5.678 18.890 ( -1.108 -0.134 -0.249) 1.144 19.160 ( 1.577 -2.829 1.251) 3.472 19.371 ( 3.096 7.573 -2.625) 8.592 19.589 ( -4.998 1.808 3.048) 6.127 ======================= Grid point 326 (175/226) ======================= q-point: ( 0.27 0.64 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.307 ( 4.466 22.237 3.182) 22.903 2.577 ( -9.315 10.946 5.246) 15.300 3.427 ( 13.603 -12.164 4.161) 18.717 4.301 ( -16.605 1.819 -0.942) 16.731 4.527 ( 2.135 -8.674 -7.380) 11.588 4.855 ( 7.674 1.489 3.100) 8.410 5.219 ( -2.373 8.803 -3.824) 9.886 5.561 ( -5.700 0.485 -2.086) 6.089 5.776 ( -2.256 -6.978 0.511) 7.351 6.354 ( -8.044 0.253 5.841) 9.945 6.790 ( -6.178 -3.270 -0.883) 7.046 7.094 ( 9.631 -3.395 -3.784) 10.890 7.665 ( 16.928 -4.063 2.286) 17.558 7.892 ( -0.017 -5.155 -4.775) 7.027 8.476 ( -1.340 3.692 1.705) 4.282 8.589 ( 9.213 4.010 2.273) 10.302 9.913 ( -10.129 -5.959 2.785) 12.078 10.859 ( -1.889 7.188 -3.605) 8.261 14.551 ( -4.648 -9.482 -1.998) 10.747 15.027 ( 5.455 15.694 -0.935) 16.641 15.877 ( -9.560 1.962 2.019) 9.965 16.029 ( -6.592 7.066 0.890) 9.704 16.623 ( 1.355 3.683 -4.214) 5.758 16.962 ( 4.261 -4.666 4.636) 7.837 17.504 ( 10.134 -11.281 11.571) 19.075 18.604 ( -5.457 5.885 -4.858) 9.381 19.004 ( 0.418 -1.669 -1.831) 2.513 19.106 ( -3.693 2.178 1.791) 4.646 19.253 ( 0.166 1.760 -5.912) 6.171 19.741 ( -1.771 -0.706 -2.154) 2.877 ======================= Grid point 327 (176/226) ======================= q-point: ( 0.36 0.64 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.565 ( -9.221 12.664 5.129) 16.484 2.647 ( -1.570 27.902 3.797) 28.203 3.539 ( 11.165 -13.548 4.721) 18.180 4.035 ( -14.595 7.512 0.878) 16.438 4.419 ( 1.929 -9.846 -9.075) 13.528 5.012 ( 4.527 5.714 -5.255) 8.986 5.262 ( 1.449 -2.387 -1.405) 3.126 5.426 ( -1.544 -4.271 1.166) 4.689 5.703 ( -0.584 -3.269 -0.533) 3.363 6.293 ( -3.678 -0.161 8.213) 9.000 6.679 ( -3.083 -2.339 0.177) 3.874 7.136 ( 0.443 -1.919 -1.096) 2.254 7.823 ( 2.327 -5.764 -3.049) 6.923 7.850 ( 7.521 -7.259 2.466) 10.740 8.517 ( 1.049 3.974 -0.118) 4.112 8.898 ( 17.725 8.084 -0.074) 19.481 9.610 ( -15.008 -10.381 0.433) 18.254 10.884 ( -3.302 8.568 -2.150) 9.430 14.390 ( -1.457 -7.268 -3.209) 8.078 15.291 ( 4.991 15.015 1.053) 15.858 15.705 ( -14.233 5.220 1.881) 15.276 16.015 ( -3.197 6.350 -0.190) 7.112 16.686 ( 1.726 6.193 -3.480) 7.310 16.982 ( 0.701 -4.414 4.422) 6.287 17.620 ( 9.604 -12.509 11.411) 19.467 18.549 ( -4.945 7.631 -6.617) 11.246 18.975 ( 0.050 -2.840 -0.787) 2.948 19.084 ( -3.392 3.701 1.302) 5.187 19.260 ( 2.041 1.462 -5.263) 5.831 19.678 ( -1.665 -3.132 -1.988) 4.067 ======================= Grid point 328 (177/226) ======================= q-point: ( 0.45 0.64 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.530 ( -12.903 9.011 4.018) 16.243 2.708 ( -16.112 17.581 0.609) 23.855 3.587 ( 7.654 -14.339 4.013) 16.742 4.095 ( 2.924 17.315 3.909) 17.990 4.330 ( 4.518 -5.904 -8.232) 11.092 5.024 ( -10.625 11.549 -4.252) 16.259 5.146 ( 3.320 -10.575 -6.600) 12.900 5.547 ( 12.805 -5.359 4.600) 14.624 5.675 ( -0.127 -0.455 -1.170) 1.262 6.305 ( -0.307 -1.967 10.316) 10.506 6.643 ( -0.132 -0.113 0.355) 0.396 7.086 ( -3.566 -0.679 -0.000) 3.631 7.752 ( -0.413 -9.624 -2.121) 9.864 7.883 ( 3.198 -6.276 2.691) 7.540 8.576 ( 1.123 4.150 -0.977) 4.409 9.078 ( -10.371 -7.778 -0.023) 12.963 9.470 ( 15.714 5.699 -3.371) 17.052 10.870 ( -6.551 6.907 -0.428) 9.530 14.346 ( 4.894 -3.483 -3.261) 6.835 15.326 ( -13.636 1.972 2.924) 14.084 15.680 ( -0.247 16.197 0.316) 16.202 16.044 ( 0.707 5.000 -1.548) 5.282 16.723 ( -4.626 7.850 -2.360) 9.412 16.970 ( 1.464 -5.595 4.211) 7.154 17.715 ( 9.606 -13.736 8.821) 18.942 18.514 ( -4.465 9.973 -7.414) 13.205 18.950 ( 0.420 -2.729 0.596) 2.825 19.080 ( -2.350 4.284 1.076) 5.004 19.276 ( 1.334 1.030 -4.798) 5.086 19.617 ( -0.308 -3.562 -0.266) 3.585 ======================= Grid point 329 (178/226) ======================= q-point: ( 0.55 0.64 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.306 ( -17.769 4.144 1.375) 18.298 2.666 ( -5.266 11.428 -1.071) 12.629 3.553 ( 3.322 -14.359 0.333) 14.742 4.247 ( 3.525 1.123 0.090) 3.700 4.428 ( 3.560 2.568 2.230) 4.924 4.962 ( -5.018 15.408 -0.499) 16.213 5.120 ( 2.246 1.291 -9.504) 9.851 5.653 ( -1.416 0.980 -1.357) 2.192 5.728 ( 9.882 -4.999 3.318) 11.561 6.359 ( 3.721 -4.716 10.854) 12.405 6.658 ( 0.103 1.160 0.450) 1.249 7.023 ( -2.889 -0.988 0.680) 3.128 7.589 ( -3.059 -13.806 -1.080) 14.182 7.885 ( 1.430 -4.427 1.871) 5.015 8.608 ( -1.903 4.464 -1.812) 5.180 8.765 ( -10.461 -6.959 -2.385) 12.789 9.858 ( 18.932 6.527 -3.304) 20.297 10.799 ( -8.368 4.841 1.590) 9.798 14.446 ( 10.860 -0.981 -2.447) 11.176 15.077 ( -17.295 1.938 2.757) 17.620 15.850 ( 2.499 10.934 0.466) 11.226 16.115 ( 3.185 5.128 -3.612) 7.035 16.654 ( -9.907 6.296 -0.214) 11.741 16.970 ( 2.435 -6.059 2.446) 6.973 17.752 ( 7.463 -16.346 2.587) 18.154 18.524 ( -3.076 12.824 -4.846) 14.050 18.939 ( 0.440 -2.338 1.535) 2.831 19.102 ( -1.279 4.682 1.919) 5.219 19.264 ( -0.385 0.875 -4.995) 5.085 19.608 ( 1.631 -1.860 2.693) 3.657 ======================= Grid point 330 (179/226) ======================= q-point: (-0.36 -0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.174 ( 1.677 0.318 -0.496) 1.778 2.710 ( 0.676 6.195 -1.550) 6.422 3.437 ( -0.366 -11.108 -3.476) 11.644 4.319 ( -0.024 2.504 3.434) 4.250 4.412 ( -0.409 -6.221 2.991) 6.915 5.109 ( 0.699 0.272 -5.792) 5.840 5.128 ( -1.623 22.510 -2.172) 22.673 5.612 ( -4.259 2.222 0.163) 4.807 5.813 ( 1.792 -2.299 1.622) 3.336 6.452 ( 8.141 -10.394 7.923) 15.397 6.650 ( -2.358 -0.019 1.383) 2.734 6.953 ( -4.051 -3.042 0.709) 5.115 7.451 ( 3.696 -9.153 -0.904) 9.912 7.857 ( -2.654 -1.111 2.211) 3.628 8.584 ( -2.533 4.891 -2.183) 5.925 8.620 ( -0.598 -3.448 -3.882) 5.227 10.111 ( 4.770 3.436 -3.335) 6.759 10.746 ( -1.969 2.987 3.478) 4.989 14.613 ( 5.032 0.080 -0.263) 5.040 14.878 ( -5.122 2.590 1.712) 5.989 15.976 ( 3.348 4.028 0.418) 5.254 16.194 ( 1.723 6.552 -5.924) 8.999 16.543 ( -7.538 2.271 2.535) 8.270 16.947 ( 0.643 -5.723 0.639) 5.794 17.663 ( 1.954 -16.043 -5.290) 17.006 18.603 ( -0.612 11.690 -0.337) 11.711 18.935 ( 0.182 -1.856 2.170) 2.861 19.139 ( -0.901 1.995 3.262) 3.928 19.247 ( -0.251 4.398 -5.035) 6.690 19.653 ( 1.575 0.214 4.823) 5.078 ======================= Grid point 331 (180/226) ======================= q-point: (-0.27 -0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.360 ( 19.790 -4.447 -0.295) 20.286 2.785 ( 9.181 -4.417 -2.862) 10.583 3.316 ( -3.736 -0.681 -3.818) 5.385 4.283 ( -7.277 2.388 3.937) 8.612 4.407 ( 2.283 -5.437 0.692) 5.937 5.037 ( -8.910 7.661 -5.979) 13.184 5.288 ( 1.088 9.151 1.240) 9.299 5.591 ( -1.493 3.531 3.376) 5.108 5.748 ( -8.183 -0.350 0.818) 8.231 6.457 ( 9.327 -23.633 1.575) 25.455 6.603 ( -2.304 -3.365 3.077) 5.109 6.904 ( -3.992 9.059 0.620) 9.919 7.509 ( 8.477 -4.544 -0.735) 9.646 7.826 ( -3.557 4.571 2.539) 6.324 8.559 ( -1.152 -0.865 -4.052) 4.300 8.656 ( 6.867 3.827 -2.506) 8.251 10.029 ( -12.885 0.149 -1.464) 12.969 10.846 ( 7.165 1.262 2.831) 7.806 14.522 ( -11.046 1.891 1.557) 11.314 15.057 ( 16.379 1.333 0.743) 16.450 16.044 ( 3.606 -2.417 -0.246) 4.348 16.201 ( -4.437 5.588 -4.969) 8.695 16.511 ( 0.659 -0.681 3.813) 3.929 16.897 ( -0.007 -4.479 -0.562) 4.514 17.469 ( -3.018 -11.554 -9.313) 15.144 18.709 ( 0.880 7.887 1.648) 8.106 18.931 ( -0.590 -1.140 2.422) 2.741 19.133 ( -0.577 -2.065 1.541) 2.640 19.302 ( 1.099 8.063 -2.269) 8.448 19.703 ( -0.764 1.987 5.249) 5.664 ======================= Grid point 332 (181/226) ======================= q-point: (-0.18 -0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.553 ( 12.867 -16.932 -2.692) 21.435 3.000 ( 25.871 -11.320 -2.048) 28.313 3.268 ( -5.595 9.650 0.421) 11.163 4.151 ( -9.533 -2.452 -1.198) 9.916 4.386 ( 0.629 -1.520 0.989) 1.919 4.923 ( -12.734 14.504 -5.065) 19.954 5.354 ( 0.034 0.161 4.625) 4.628 5.588 ( -8.420 -0.273 -0.848) 8.467 5.665 ( 0.317 5.776 5.527) 8.001 6.389 ( 11.989 -24.505 -2.642) 27.409 6.566 ( -1.568 -0.001 3.325) 3.676 6.963 ( -3.003 11.839 1.605) 12.319 7.555 ( 1.732 -4.021 -1.915) 4.778 7.868 ( -0.078 6.614 2.189) 6.967 8.528 ( 1.138 -1.161 -3.302) 3.681 8.843 ( 10.060 6.077 -2.508) 12.017 9.733 ( -18.273 -2.427 0.302) 18.436 10.984 ( 6.213 -0.529 1.527) 6.419 14.383 ( -8.188 3.045 0.651) 8.761 15.356 ( 15.432 0.075 1.416) 15.497 16.048 ( 3.434 -7.912 -1.289) 8.721 16.137 ( -3.773 0.620 0.488) 3.855 16.538 ( -0.450 0.266 0.858) 1.004 16.878 ( 3.359 -4.195 -0.350) 5.385 17.259 ( -5.547 -4.440 -8.344) 10.959 18.799 ( 1.247 4.020 2.168) 4.735 18.919 ( -1.506 0.578 1.242) 2.035 19.117 ( 0.835 -2.834 1.396) 3.267 19.390 ( 1.662 6.491 -1.490) 6.864 19.718 ( -3.902 3.830 3.968) 6.756 ======================= Grid point 337 (182/226) ======================= q-point: ( 0.27 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.353 ( 13.259 15.982 0.463) 20.772 2.727 ( 10.549 4.111 3.653) 11.897 3.249 ( -3.992 -1.070 4.018) 5.764 4.350 ( -1.687 -8.173 -3.514) 9.055 4.427 ( 4.833 -1.888 -2.057) 5.581 4.926 ( -14.314 -1.607 6.618) 15.852 5.324 ( -2.351 4.958 -2.468) 6.017 5.643 ( -1.256 2.944 -2.682) 4.176 5.770 ( -6.572 -6.793 -1.451) 9.563 6.443 ( 11.885 -4.142 1.632) 12.691 6.694 ( 12.112 -6.868 -6.240) 15.258 6.920 ( -10.930 1.501 -1.058) 11.083 7.493 ( 6.921 4.892 1.375) 8.586 7.878 ( -4.935 -1.233 -3.548) 6.202 8.485 ( 2.529 -0.884 4.376) 5.131 8.612 ( -1.271 8.052 2.589) 8.553 9.990 ( -5.528 -9.113 2.827) 11.027 10.901 ( 1.705 5.294 -3.362) 6.499 14.543 ( -5.974 -8.941 -0.810) 10.784 15.076 ( 5.760 15.017 -1.451) 16.149 16.016 ( -0.751 1.649 2.372) 2.985 16.159 ( -3.556 1.272 0.376) 3.795 16.586 ( 1.040 -0.638 -4.684) 4.840 16.857 ( 6.643 -2.058 4.439) 8.250 17.309 ( 6.144 -7.888 8.555) 13.159 18.734 ( -5.033 4.461 -1.152) 6.824 18.972 ( 0.295 -1.209 -2.310) 2.624 19.146 ( 0.949 -0.977 0.149) 1.370 19.302 ( -5.450 3.958 -2.325) 7.126 19.770 ( -3.342 0.160 -2.544) 4.203 ======================= Grid point 338 (183/226) ======================= q-point: ( 0.36 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.732 ( 7.009 12.421 -0.105) 14.263 2.966 ( 0.006 26.481 3.059) 26.658 3.258 ( 9.128 -10.049 5.602) 14.686 4.204 ( -1.294 -8.923 -6.066) 10.867 4.408 ( -10.597 2.850 1.821) 11.124 4.772 ( 4.991 -11.623 2.257) 12.849 5.346 ( -0.085 6.760 -3.474) 7.601 5.488 ( -11.664 -4.830 -2.981) 12.971 5.670 ( 0.366 -2.475 -1.283) 2.812 6.427 ( -6.115 1.291 2.946) 6.910 6.741 ( -5.685 -2.601 2.044) 6.577 6.945 ( 15.636 -3.998 -3.502) 16.515 7.677 ( 8.547 -2.132 2.054) 9.045 7.784 ( -2.255 1.708 -3.491) 4.493 8.528 ( 1.120 1.479 1.007) 2.111 8.773 ( 7.500 9.793 2.978) 12.689 9.725 ( -11.907 -14.178 0.368) 18.519 10.970 ( 0.409 6.619 -1.842) 6.882 14.356 ( -4.544 -7.122 -1.800) 8.638 15.343 ( 6.722 15.146 -0.237) 16.573 15.947 ( -9.224 1.941 3.275) 9.979 16.144 ( -3.195 4.273 -0.622) 5.372 16.614 ( 5.744 -0.451 -3.547) 6.766 16.950 ( 3.402 0.136 1.189) 3.607 17.387 ( 8.165 -12.644 10.071) 18.110 18.690 ( -5.188 6.507 -2.588) 8.715 18.940 ( -0.017 -2.674 -1.284) 2.966 19.173 ( 1.562 0.457 1.147) 1.991 19.244 ( -4.444 4.970 -3.044) 7.329 19.682 ( -3.534 -2.650 -2.333) 4.996 ======================= Grid point 339 (184/226) ======================= q-point: ( 0.45 0.73 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.788 ( -8.111 8.476 -1.024) 11.776 3.177 ( -6.700 16.113 0.743) 17.466 3.349 ( 2.802 -8.368 5.608) 10.456 4.132 ( 5.959 -6.567 -6.547) 11.022 4.275 ( -6.375 10.706 4.337) 13.193 4.848 ( 13.978 -11.052 -3.510) 18.162 5.250 ( -8.645 -3.109 0.617) 9.208 5.410 ( 2.213 5.335 -1.797) 6.049 5.646 ( 0.670 -2.017 -1.256) 2.469 6.371 ( -3.511 -0.118 4.006) 5.328 6.667 ( -2.398 0.075 1.433) 2.795 7.075 ( 4.220 -2.788 1.287) 5.219 7.677 ( 0.291 -4.130 -5.112) 6.578 7.827 ( 1.275 -0.509 4.137) 4.359 8.577 ( 1.914 2.804 -0.839) 3.497 9.061 ( 10.782 6.895 1.845) 12.930 9.372 ( -9.087 -11.588 -2.583) 14.951 11.003 ( -2.702 4.912 -0.506) 5.629 14.253 ( 0.245 -3.531 -1.805) 3.973 15.518 ( -2.600 6.119 1.874) 6.907 15.856 ( -5.384 8.248 0.078) 9.850 16.114 ( -4.078 4.127 -0.455) 5.820 16.711 ( 7.217 -0.791 -1.824) 7.486 16.981 ( -1.537 1.533 0.049) 2.171 17.443 ( 8.776 -15.429 7.152) 19.137 18.662 ( -4.620 8.655 -3.255) 10.336 18.916 ( 0.701 -2.624 0.397) 2.745 19.199 ( -3.433 4.350 3.891) 6.771 19.228 ( 1.351 2.186 -5.000) 5.622 19.591 ( -1.562 -3.768 -1.190) 4.249 ======================= Grid point 340 (185/226) ======================= q-point: (-0.45 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.654 ( -13.787 1.046 -0.353) 13.832 2.966 ( -22.772 6.922 -1.848) 23.872 3.361 ( 5.892 -8.225 0.197) 10.119 4.133 ( 5.539 -3.566 -1.110) 6.681 4.436 ( 2.886 5.548 2.203) 6.631 4.941 ( 8.819 -3.559 -3.364) 10.088 5.218 ( -0.611 12.696 -0.504) 12.721 5.497 ( 6.272 -3.454 2.260) 7.508 5.665 ( 3.276 1.795 -1.484) 4.020 6.330 ( -1.344 -6.209 5.500) 8.403 6.671 ( 0.416 1.786 1.183) 2.182 7.074 ( -2.487 -1.281 2.983) 4.089 7.563 ( -5.187 -5.059 -5.894) 9.340 7.850 ( 0.887 -1.326 4.541) 4.813 8.619 ( 1.185 0.328 -1.453) 1.904 8.925 ( -14.548 -3.953 -1.972) 15.204 9.539 ( 21.196 3.517 -1.844) 21.565 10.967 ( -5.919 2.659 0.867) 6.546 14.280 ( 6.229 -0.628 -1.058) 6.349 15.389 ( -14.660 1.140 2.896) 14.987 15.921 ( 0.242 8.418 -1.852) 8.623 16.106 ( 0.199 2.861 -0.620) 2.934 16.794 ( 2.733 0.725 -1.926) 3.421 16.923 ( -4.950 -1.616 1.030) 5.308 17.462 ( 8.375 -15.063 0.418) 17.240 18.672 ( -3.097 9.870 -2.181) 10.572 18.914 ( 0.955 -2.123 1.482) 2.760 19.209 ( -3.216 4.335 4.242) 6.866 19.244 ( 0.813 2.680 -4.534) 5.329 19.563 ( 2.249 -2.653 1.767) 3.901 ======================= Grid point 341 (186/226) ======================= q-point: (-0.36 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.334 ( -18.644 -1.660 -0.503) 18.725 2.719 ( -5.163 -7.804 -3.545) 10.006 3.366 ( 0.586 1.743 -3.687) 4.120 4.240 ( 7.286 -1.068 2.714) 7.848 4.441 ( -2.356 -1.888 2.553) 3.954 5.053 ( 5.260 3.192 -2.566) 6.667 5.364 ( -1.793 18.105 -3.112) 18.457 5.573 ( 7.830 -8.566 3.325) 12.072 5.757 ( 2.725 3.800 -1.202) 4.828 6.253 ( 0.966 -16.727 6.271) 17.889 6.700 ( -0.705 1.689 1.240) 2.210 7.030 ( -3.435 0.700 3.014) 4.623 7.394 ( -4.263 -1.325 -4.120) 6.075 7.892 ( 0.678 1.681 3.811) 4.220 8.579 ( -1.631 -5.026 -3.053) 6.103 8.718 ( -8.346 5.501 -2.290) 10.255 9.899 ( 18.078 0.940 -2.624) 18.292 10.876 ( -7.111 0.633 2.624) 7.606 14.430 ( 11.111 0.685 0.022) 11.132 15.147 ( -16.270 2.127 2.394) 16.583 15.958 ( 0.541 -0.239 -0.648) 0.877 16.171 ( 3.387 4.345 -1.988) 5.857 16.728 ( -9.731 0.178 0.270) 9.736 16.866 ( 2.339 -5.007 -1.656) 5.769 17.432 ( 4.976 -11.176 -5.579) 13.446 18.721 ( -1.445 8.827 -0.367) 8.952 18.921 ( 0.839 -1.594 1.933) 2.642 19.195 ( -2.336 -0.713 1.815) 3.043 19.285 ( -0.152 7.770 -1.510) 7.917 19.629 ( 4.329 -0.353 4.998) 6.622 ======================= Grid point 342 (187/226) ======================= q-point: (-0.27 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.122 ( 0.059 -5.175 -1.009) 5.273 2.541 ( 2.558 -18.817 -4.839) 19.597 3.398 ( -1.604 10.326 -3.201) 10.930 4.320 ( 2.804 -4.021 2.507) 5.506 4.426 ( -3.217 4.280 2.351) 5.847 5.136 ( 0.419 5.153 0.307) 5.179 5.442 ( -4.564 12.722 -5.833) 14.721 5.622 ( 0.830 -0.952 1.638) 2.068 5.774 ( 7.356 -14.127 1.115) 15.967 6.088 ( -2.307 -18.684 4.293) 19.309 6.683 ( -3.491 0.837 1.722) 3.982 7.024 ( -0.667 2.047 1.781) 2.794 7.419 ( 2.969 9.364 0.015) 9.824 7.939 ( -1.664 5.446 3.015) 6.444 8.502 ( 0.563 -3.014 -4.367) 5.336 8.669 ( -2.691 5.655 -2.313) 6.676 10.082 ( 4.408 -2.419 -3.510) 6.132 10.810 ( -1.204 -0.879 4.247) 4.501 14.619 ( 6.356 0.331 0.585) 6.392 14.961 ( -6.288 3.315 2.042) 7.396 15.937 ( 1.923 -8.072 0.439) 8.310 16.254 ( 1.458 4.704 -3.313) 5.936 16.565 ( -6.218 -3.919 3.459) 8.123 16.833 ( 1.001 -3.956 -5.167) 6.584 17.357 ( 0.296 -4.884 -7.407) 8.877 18.782 ( -0.405 6.464 0.521) 6.497 18.934 ( 0.716 -0.858 2.348) 2.601 19.151 ( -2.423 -1.456 1.156) 3.053 19.357 ( 0.318 6.963 -0.502) 6.988 19.737 ( 2.987 2.155 6.086) 7.114 ======================= Grid point 343 (188/226) ======================= q-point: (-0.18 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.154 ( 10.815 -17.052 -2.019) 20.293 2.463 ( 17.242 -17.617 -3.656) 24.920 3.458 ( -3.829 12.305 -0.613) 12.902 4.249 ( -7.920 -7.894 0.971) 11.224 4.437 ( -1.306 9.685 -0.194) 9.775 5.163 ( -3.947 3.718 0.647) 5.461 5.391 ( -4.035 3.086 -4.559) 6.826 5.610 ( 0.649 -4.803 -1.617) 5.109 5.799 ( 6.589 -9.029 1.834) 11.327 5.931 ( -0.083 -10.875 6.276) 12.556 6.641 ( -3.159 0.800 2.751) 4.265 7.056 ( 2.056 0.435 0.635) 2.196 7.577 ( -1.137 13.833 1.241) 13.935 7.979 ( -2.604 7.542 1.798) 8.179 8.470 ( 1.216 -1.774 -4.653) 5.126 8.746 ( 6.673 6.746 -2.146) 9.728 9.952 ( -11.387 -5.586 -2.327) 12.895 10.872 ( 6.067 -2.097 3.171) 7.160 14.567 ( -9.109 1.750 -0.357) 9.282 15.107 ( 14.140 1.643 2.456) 14.445 15.869 ( 2.557 -14.426 1.241) 14.703 16.221 ( -4.836 -1.132 -1.691) 5.246 16.543 ( 2.277 0.120 3.856) 4.480 16.773 ( 0.951 -3.849 -6.994) 8.040 17.278 ( -3.019 1.650 -5.490) 6.479 18.835 ( 0.122 3.817 0.855) 3.913 18.953 ( -0.054 0.751 2.257) 2.379 19.105 ( -1.554 -1.951 1.548) 2.935 19.417 ( 0.700 4.217 -0.908) 4.370 19.824 ( -0.571 4.534 4.562) 6.457 ======================= Grid point 403 (189/226) ======================= q-point: ( 0.27 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.983 ( -0.000 0.000 15.696) 15.696 0.983 ( -0.000 0.000 15.696) 15.696 1.991 ( -0.000 0.000 31.179) 31.179 4.510 ( -0.000 0.000 0.067) 0.067 4.737 ( 0.000 -0.000 -10.905) 10.905 4.737 ( 0.000 -0.000 -10.905) 10.905 5.464 ( 0.000 -0.000 -10.608) 10.608 6.134 ( -0.000 0.000 6.524) 6.524 6.134 ( -0.000 0.000 6.524) 6.524 6.694 ( -0.000 0.000 1.661) 1.661 6.694 ( -0.000 0.000 1.661) 1.661 7.252 ( -0.000 0.000 2.964) 2.964 8.355 ( 0.000 -0.000 -5.705) 5.705 8.570 ( -0.000 0.000 0.754) 0.754 9.049 ( 0.000 -0.000 -0.797) 0.797 9.049 ( 0.000 0.000 -0.797) 0.797 9.151 ( -0.000 -0.000 0.146) 0.146 9.151 ( -0.000 0.000 0.146) 0.146 14.630 ( -0.000 0.000 1.788) 1.788 14.630 ( -0.000 0.000 1.788) 1.788 14.990 ( 0.000 -0.000 -3.543) 3.543 14.990 ( 0.000 -0.000 -3.543) 3.543 16.438 ( -0.000 0.000 2.919) 2.919 16.438 ( -0.000 0.000 2.919) 2.919 17.581 ( 0.000 -0.000 -1.005) 1.005 18.963 ( -0.000 0.000 0.631) 0.631 19.004 ( -0.000 0.000 0.650) 0.650 19.114 ( 0.000 -0.000 -0.520) 0.520 19.114 ( 0.000 -0.000 -0.520) 0.520 19.996 ( 0.000 -0.000 -0.018) 0.018 ======================= Grid point 404 (190/226) ======================= q-point: ( 0.36 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( -0.714 22.440 13.996) 26.457 1.638 ( 38.003 7.986 11.287) 40.440 2.180 ( 5.400 2.841 22.509) 23.322 4.388 ( -8.596 -4.763 0.831) 9.863 4.625 ( -2.527 0.676 -7.958) 8.377 4.761 ( 4.704 -2.439 -10.340) 11.619 5.399 ( -0.205 -0.009 -10.080) 10.083 6.010 ( -7.608 -7.142 6.799) 12.454 6.223 ( -3.188 3.388 2.873) 5.468 6.598 ( -8.590 -5.325 7.535) 12.607 6.746 ( 3.955 -1.756 1.538) 4.593 7.041 ( -13.132 -1.458 5.758) 14.413 8.292 ( -2.157 -0.968 -4.475) 5.061 8.422 ( -5.769 -4.004 -0.960) 7.087 8.927 ( -8.728 1.762 -0.149) 8.905 9.059 ( -4.271 -7.737 -0.495) 8.851 9.248 ( 11.688 -0.808 0.274) 11.719 9.652 ( 28.850 20.335 -7.388) 36.061 14.571 ( 1.355 -6.512 1.271) 6.772 14.792 ( 4.529 10.027 1.882) 11.163 14.971 ( -1.571 10.606 -3.803) 11.376 15.224 ( 20.741 1.468 -6.962) 21.927 16.482 ( -0.103 2.317 2.052) 3.097 16.549 ( 10.564 4.014 1.324) 11.378 17.585 ( 1.051 0.405 -0.854) 1.413 18.921 ( -5.811 -2.395 0.414) 6.299 18.979 ( -0.571 0.236 -0.034) 0.619 19.102 ( 0.102 -1.741 -0.644) 1.859 19.149 ( 2.099 1.955 -0.379) 2.893 19.945 ( -3.498 -2.955 -0.666) 4.628 ======================= Grid point 405 (191/226) ======================= q-point: ( 0.45 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( 7.262 20.084 9.160) 23.238 2.104 ( 3.941 -0.078 19.688) 20.078 2.774 ( 40.074 19.044 0.305) 44.369 4.202 ( -9.410 -4.138 3.202) 10.767 4.526 ( -3.048 -2.584 -5.424) 6.737 4.742 ( 4.172 -5.434 -8.383) 10.826 5.367 ( 1.577 1.317 -7.000) 7.296 5.801 ( -10.726 -10.752 5.546) 16.168 6.135 ( -10.303 3.178 1.401) 10.873 6.456 ( -7.601 -3.630 10.716) 13.630 6.803 ( 1.648 1.240 0.789) 2.208 6.957 ( -0.998 1.625 0.667) 2.020 8.231 ( -2.927 0.813 -2.769) 4.111 8.289 ( -3.553 -5.307 -1.891) 6.661 8.807 ( -5.880 -1.377 0.415) 6.053 8.823 ( -13.184 -8.248 -0.578) 15.563 9.467 ( 12.740 1.469 1.253) 12.886 10.191 ( 19.990 12.698 -6.945) 24.679 14.557 ( 4.913 -8.931 1.257) 10.270 14.885 ( -4.755 12.525 -4.392) 14.099 15.184 ( 11.013 13.613 2.725) 17.721 15.515 ( 15.430 0.399 -5.859) 16.510 16.505 ( 0.627 0.455 0.383) 0.864 16.839 ( 12.879 8.430 0.670) 15.407 17.628 ( 3.730 1.561 0.316) 4.056 18.745 ( -10.115 -4.405 -1.428) 11.125 18.980 ( 0.193 0.748 -0.296) 0.827 19.078 ( -0.424 -1.533 -1.006) 1.882 19.199 ( 2.079 1.050 -0.718) 2.437 19.838 ( -3.446 -4.023 -1.848) 5.610 ======================= Grid point 406 (192/226) ======================= q-point: ( 0.55 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.799 ( 9.790 13.275 5.184) 17.290 2.253 ( 4.165 1.346 12.434) 13.182 3.628 ( 34.203 22.067 -3.409) 40.846 3.990 ( -13.468 -5.096 3.591) 14.840 4.466 ( 5.027 -5.374 -2.564) 7.792 4.701 ( 1.617 -4.601 -6.382) 8.032 5.354 ( -3.292 -4.522 -1.059) 5.693 5.555 ( -6.667 -4.464 2.308) 8.348 6.004 ( -8.876 2.966 0.572) 9.376 6.388 ( -4.909 0.975 7.802) 9.269 6.825 ( -1.619 4.347 -1.724) 4.949 7.002 ( 5.816 -2.423 -1.217) 6.417 8.123 ( -7.439 0.097 -3.051) 8.041 8.188 ( -4.178 -8.971 -0.896) 9.936 8.493 ( -11.712 -7.082 0.362) 13.691 8.703 ( -6.592 0.424 1.896) 6.872 9.707 ( 12.212 1.266 2.182) 12.470 10.528 ( 12.205 8.050 -4.993) 15.449 14.571 ( 6.324 -9.374 1.130) 11.364 14.889 ( -5.309 11.939 -4.878) 13.947 15.551 ( 13.157 13.026 3.662) 18.873 15.700 ( 9.427 0.043 -2.049) 9.648 16.524 ( 1.877 -0.019 -1.459) 2.378 17.060 ( 3.153 3.995 2.158) 5.528 17.761 ( 4.780 3.902 7.477) 9.694 18.505 ( -7.739 -5.007 -6.959) 11.549 19.002 ( 1.510 1.513 -0.492) 2.194 19.047 ( -0.712 -1.330 -1.454) 2.095 19.225 ( 0.890 0.220 -1.333) 1.618 19.749 ( -1.249 -2.770 -2.332) 3.831 ======================= Grid point 407 (193/226) ======================= q-point: ( 0.64 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.066 ( 6.626 6.054 2.340) 9.275 2.442 ( 9.258 3.844 6.691) 12.052 3.679 ( -16.910 -7.460 3.047) 18.732 4.237 ( 13.656 14.413 -2.079) 19.963 4.568 ( 7.877 -2.263 -4.868) 9.532 4.673 ( 7.513 -0.828 -0.615) 7.584 5.149 ( -6.012 -8.023 1.041) 10.079 5.556 ( 1.372 3.463 0.312) 3.738 5.902 ( -5.291 1.155 -0.745) 5.467 6.412 ( 0.276 4.736 5.581) 7.325 6.825 ( -0.317 2.737 -4.983) 5.694 7.050 ( 2.834 -3.831 -2.155) 5.230 7.812 ( -19.006 -16.520 -0.937) 25.199 7.986 ( -6.349 0.631 -3.376) 7.218 8.431 ( 1.758 2.289 3.068) 4.212 8.614 ( -5.713 -0.223 3.366) 6.634 9.917 ( 9.626 -0.210 2.946) 10.069 10.724 ( 6.534 5.157 -4.190) 9.319 14.594 ( 5.760 -8.038 0.510) 9.902 14.892 ( -3.861 9.879 -3.637) 11.213 15.840 ( 7.481 0.802 0.512) 7.542 15.894 ( 10.884 9.246 3.425) 14.686 16.552 ( 2.043 1.263 -2.724) 3.631 17.059 ( -4.487 -1.746 1.779) 5.133 17.788 ( -12.656 -3.597 14.322) 19.448 18.438 ( 8.911 2.495 -9.534) 13.287 19.011 ( -0.950 -1.303 -1.657) 2.313 19.067 ( 4.064 2.777 -0.293) 4.931 19.219 ( -0.535 0.099 -2.095) 2.164 19.717 ( 1.064 -1.169 -2.408) 2.880 ======================= Grid point 408 (194/226) ======================= q-point: (-0.27 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.161 ( 0.936 -0.337 0.980) 1.396 2.670 ( 5.906 1.725 3.111) 6.895 3.365 ( -11.162 -4.938 4.750) 13.098 4.377 ( 2.827 -2.143 -2.979) 4.633 4.481 ( -7.045 -0.554 -5.197) 8.772 4.955 ( 8.239 7.488 8.946) 14.282 5.166 ( 11.689 3.056 -3.461) 12.568 5.612 ( 1.086 2.608 0.014) 2.825 5.842 ( -1.238 -0.307 -1.574) 2.026 6.502 ( -1.225 -0.769 1.104) 1.820 6.745 ( -5.939 -7.759 -8.650) 13.049 6.969 ( -4.596 4.164 -1.101) 6.299 7.429 ( -6.121 -9.861 1.633) 11.721 7.906 ( -1.972 2.545 -3.422) 4.698 8.536 ( 2.144 2.941 3.423) 4.996 8.548 ( -2.377 0.542 4.297) 4.940 10.052 ( 5.356 -2.508 3.436) 6.840 10.812 ( 2.089 2.842 -4.096) 5.406 14.612 ( 4.318 -6.070 -0.215) 7.452 14.915 ( -1.607 7.767 -2.347) 8.271 15.968 ( 5.054 -0.178 1.289) 5.219 16.118 ( 6.189 3.400 2.854) 7.617 16.587 ( -0.056 4.879 -2.820) 5.636 16.938 ( -6.306 -4.316 2.134) 7.934 17.532 ( -14.512 -7.351 9.347) 18.761 18.624 ( 9.352 4.639 -2.403) 10.713 18.971 ( -0.950 -1.265 -2.039) 2.581 19.175 ( 0.287 1.428 2.446) 2.846 19.211 ( 4.812 3.156 -4.163) 7.103 19.724 ( 2.470 -0.718 -3.393) 4.258 ======================= Grid point 415 (195/226) ======================= q-point: ( 0.36 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( 21.879 13.636 12.096) 28.477 1.645 ( -16.208 37.282 8.912) 41.618 2.300 ( 0.319 1.201 20.775) 20.813 4.422 ( 0.504 -7.794 2.091) 8.085 4.518 ( 0.197 -5.546 -6.230) 8.343 4.726 ( -2.784 3.610 -10.807) 11.729 5.354 ( 0.093 1.759 -9.924) 10.079 6.052 ( -2.670 -9.755 6.254) 11.891 6.247 ( 4.634 -0.379 2.101) 5.102 6.669 ( 0.832 -5.728 5.980) 8.322 6.723 ( -4.567 0.902 2.082) 5.100 7.044 ( 4.858 -16.176 4.494) 17.477 8.278 ( 0.181 -0.444 -4.375) 4.401 8.408 ( -0.440 -8.365 -0.701) 8.406 8.938 ( 11.530 -8.320 0.093) 14.219 9.028 ( -13.443 -6.277 -0.255) 14.838 9.326 ( -3.839 12.769 -0.278) 13.337 9.566 ( 3.943 32.051 -5.759) 32.802 14.596 ( -7.718 -1.019 1.911) 8.016 14.769 ( 7.855 5.080 0.964) 9.404 14.959 ( 9.495 5.583 -3.052) 11.430 15.199 ( -8.886 19.665 -6.285) 22.476 16.427 ( 0.796 -2.400 2.945) 3.882 16.620 ( -0.523 12.969 0.751) 13.001 17.579 ( -0.175 1.015 -0.773) 1.288 18.930 ( 0.768 -5.685 0.299) 5.744 18.978 ( 0.367 -0.581 0.117) 0.697 19.091 ( -1.196 -1.391 -0.395) 1.877 19.156 ( 0.393 3.513 -0.629) 3.590 19.937 ( -0.650 -5.515 -0.383) 5.566 ======================= Grid point 416 (196/226) ======================= q-point: ( 0.45 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.692 ( 3.203 20.062 1.962) 20.410 2.060 ( 13.670 15.926 16.654) 26.793 2.517 ( 12.856 19.415 6.358) 24.138 4.306 ( -6.167 -5.276 4.502) 9.281 4.468 ( 2.178 -7.772 -4.120) 9.062 4.627 ( -2.103 -1.828 -8.141) 8.605 5.337 ( 0.631 4.370 -7.697) 8.874 5.882 ( -7.693 -12.497 5.692) 15.740 6.261 ( -2.946 -1.779 -1.636) 3.811 6.562 ( -4.864 -7.228 9.919) 13.202 6.774 ( 3.089 2.742 2.378) 4.766 6.968 ( -0.772 -7.475 -1.041) 7.587 8.228 ( -2.033 -3.688 -2.867) 5.095 8.314 ( -2.345 -1.974 -1.437) 3.385 8.739 ( -8.145 -12.627 0.299) 15.029 9.112 ( 12.784 -5.681 -0.417) 13.996 9.270 ( -12.117 12.378 1.066) 17.355 10.028 ( 16.135 21.901 -5.186) 27.693 14.479 ( -3.480 -4.032 1.696) 5.590 15.029 ( 12.413 9.564 -1.695) 15.762 15.144 ( -0.085 8.836 -3.025) 9.340 15.311 ( 7.696 16.469 -3.704) 18.551 16.463 ( 3.145 -2.418 1.615) 4.284 16.803 ( 5.398 15.716 0.149) 16.618 17.601 ( 1.667 2.621 -0.185) 3.111 18.822 ( -5.649 -7.626 -1.200) 9.566 18.981 ( 0.277 0.124 -0.206) 0.367 19.059 ( -0.464 -1.866 -0.172) 1.931 19.194 ( 0.719 2.677 -0.652) 2.847 19.835 ( -3.024 -6.849 -0.258) 7.491 ======================= Grid point 417 (197/226) ======================= q-point: ( 0.55 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.946 ( 1.118 23.836 0.420) 23.866 2.289 ( 2.199 0.643 12.233) 12.446 3.240 ( 33.189 27.554 -2.003) 43.183 4.157 ( -9.937 -5.691 4.875) 12.446 4.362 ( -0.761 -7.623 -3.319) 8.349 4.586 ( 3.412 -2.783 -2.615) 5.121 5.361 ( -0.421 2.857 -3.451) 4.500 5.641 ( -8.451 -10.273 4.873) 14.167 6.129 ( -6.370 -3.958 -3.220) 8.162 6.498 ( -3.558 -2.245 7.428) 8.537 6.869 ( -1.517 -4.512 -4.863) 6.805 6.880 ( 4.243 3.201 1.293) 5.470 8.105 ( -2.489 -10.215 -1.326) 10.597 8.258 ( -5.749 1.876 -2.193) 6.433 8.503 ( -4.428 -11.473 1.595) 12.401 9.053 ( -17.687 11.282 1.811) 21.057 9.396 ( 17.746 -7.188 0.746) 19.161 10.425 ( 11.667 15.175 -3.452) 19.450 14.419 ( 1.139 -6.388 1.790) 6.731 15.139 ( -8.518 17.179 -4.757) 19.756 15.365 ( 17.334 3.150 -3.253) 17.916 15.604 ( 9.239 11.366 2.648) 14.885 16.492 ( 1.829 -0.087 -0.325) 1.860 17.045 ( 5.381 8.215 0.486) 9.832 17.729 ( 7.517 8.628 2.941) 11.815 18.576 ( -10.857 -10.154 -3.937) 15.378 18.991 ( 0.851 0.870 -0.555) 1.337 19.032 ( -0.408 -1.832 -0.400) 1.919 19.221 ( 0.418 1.447 -0.551) 1.603 19.728 ( -1.872 -5.033 -0.444) 5.388 ======================= Grid point 418 (198/226) ======================= q-point: ( 0.64 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.193 ( -0.654 23.684 -0.713) 23.704 2.409 ( 4.202 4.130 6.656) 8.889 3.874 ( -11.666 -6.767 -0.177) 13.488 4.020 ( 27.011 15.596 -2.826) 31.318 4.309 ( 4.522 -8.417 1.020) 9.609 4.647 ( 3.798 3.936 2.002) 5.824 5.217 ( -10.057 -8.106 0.718) 12.937 5.575 ( 0.860 2.268 1.996) 3.141 5.952 ( -5.182 -6.774 -4.263) 9.535 6.483 ( -1.411 1.663 3.942) 4.505 6.774 ( 0.431 -5.643 -7.201) 9.159 6.987 ( 2.791 4.473 0.135) 5.274 7.899 ( -9.143 -14.589 0.424) 17.222 8.075 ( -8.549 -3.161 -4.087) 9.989 8.459 ( 1.410 1.443 4.044) 4.519 8.869 ( -16.526 9.187 2.801) 19.114 9.628 ( 17.783 -9.707 1.489) 20.315 10.688 ( 6.162 11.138 -2.469) 12.967 14.405 ( 4.246 -8.178 1.749) 9.379 15.131 ( -8.465 16.383 -4.297) 18.935 15.642 ( 14.092 1.849 -2.707) 14.468 15.868 ( 7.541 8.373 4.811) 12.252 16.539 ( 2.130 4.080 -0.686) 4.653 17.100 ( -1.896 -1.533 -0.198) 2.447 17.991 ( -0.620 3.215 14.612) 14.974 18.284 ( -0.668 -3.362 -13.027) 13.471 18.999 ( -0.524 -1.844 -0.778) 2.069 19.033 ( 2.403 2.440 -0.660) 3.487 19.229 ( -0.419 0.730 -0.398) 0.931 19.671 ( 0.175 -3.051 -0.974) 3.207 ======================= Grid point 419 (199/226) ======================= q-point: ( 0.73 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.326 ( -7.277 18.481 -0.965) 19.886 2.621 ( 7.522 9.032 4.124) 12.457 3.540 ( -14.221 -9.394 1.921) 17.152 4.258 ( 3.401 -5.653 -1.208) 6.707 4.484 ( 7.306 -0.787 -4.285) 8.506 4.898 ( 13.630 13.598 7.939) 20.826 5.036 ( -0.202 -3.150 -0.632) 3.219 5.627 ( 0.746 1.598 1.629) 2.401 5.792 ( -0.861 -9.524 -3.923) 10.336 6.495 ( -0.938 -1.744 -3.704) 4.200 6.692 ( 0.377 -3.459 -4.725) 5.868 7.042 ( -1.041 3.405 -1.413) 3.830 7.557 ( -14.546 -7.863 2.467) 16.718 7.933 ( -3.127 -1.805 -3.533) 5.052 8.560 ( 3.217 4.257 3.840) 6.574 8.715 ( -12.012 6.250 3.309) 13.939 9.810 ( 14.549 -12.185 2.182) 19.102 10.833 ( 1.260 8.494 -2.340) 8.900 14.415 ( 5.798 -9.174 1.130) 10.911 15.130 ( -7.653 15.803 -3.271) 17.861 15.854 ( 9.497 1.716 -0.064) 9.651 16.060 ( 5.700 2.753 2.784) 6.915 16.641 ( 1.884 8.856 0.716) 9.083 16.996 ( -5.193 -5.046 -0.224) 7.244 17.737 ( -15.787 -13.190 4.936) 21.156 18.490 ( 12.109 8.902 -1.511) 15.105 18.963 ( -0.987 -1.679 -1.253) 2.316 19.129 ( 5.428 4.207 -0.669) 6.900 19.219 ( -1.350 0.747 -0.035) 1.544 19.651 ( 1.532 -2.775 -2.312) 3.923 ======================= Grid point 426 (200/226) ======================= q-point: ( 0.36 0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( -4.694 16.062 12.886) 21.121 2.216 ( -3.990 6.453 17.796) 19.346 2.561 ( -18.270 28.696 -0.742) 34.026 4.267 ( 6.192 -9.261 3.201) 11.591 4.499 ( -2.009 -1.952 -2.726) 3.908 4.733 ( -1.756 2.086 -11.208) 11.535 5.329 ( -0.398 4.008 -7.811) 8.788 5.995 ( 3.295 -8.332 7.255) 11.529 6.081 ( 8.988 -8.411 -0.602) 12.325 6.587 ( 7.147 -8.653 11.335) 15.951 6.816 ( 3.705 -2.703 0.028) 4.586 6.856 ( -6.767 -3.667 1.364) 7.817 8.225 ( 3.267 -1.571 -3.176) 4.820 8.321 ( 0.729 -4.711 -1.326) 4.948 8.709 ( 5.083 -11.782 0.978) 12.869 9.170 ( 5.121 4.300 -1.114) 6.779 9.321 ( -4.046 3.063 -0.920) 5.158 10.011 ( -15.836 23.868 -5.177) 29.108 14.669 ( 2.847 -3.215 -3.150) 5.326 14.792 ( -4.895 9.902 2.428) 11.309 14.966 ( -5.756 4.608 1.586) 7.542 15.508 ( -7.693 18.264 -6.340) 20.808 16.450 ( -3.612 -2.051 1.869) 4.555 16.797 ( -4.355 13.741 0.321) 14.418 17.611 ( -2.014 3.333 -0.336) 3.909 18.797 ( 5.985 -8.699 -0.146) 10.560 18.973 ( -0.031 -0.187 0.261) 0.322 19.081 ( 0.154 -1.690 -0.734) 1.849 19.194 ( -0.830 3.488 -1.078) 3.744 19.862 ( 2.126 -5.249 -1.509) 5.861 ======================= Grid point 427 (201/226) ======================= q-point: ( 0.45 0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( 11.031 14.700 4.290) 18.873 2.300 ( -3.332 3.915 15.209) 16.054 2.719 ( -2.313 40.023 -1.350) 40.113 4.279 ( 4.533 -10.641 3.788) 12.171 4.413 ( -4.651 -1.524 1.052) 5.006 4.622 ( -3.956 -1.425 -9.759) 10.627 5.337 ( 0.507 5.932 -6.814) 9.048 5.868 ( -3.368 -15.208 4.560) 16.231 6.189 ( 5.423 -5.075 -1.917) 7.670 6.600 ( -1.608 -10.293 11.069) 15.200 6.776 ( 1.021 -1.593 0.481) 1.952 6.853 ( 2.968 -1.720 -0.178) 3.435 8.219 ( -3.726 -5.930 -1.864) 7.247 8.275 ( 4.350 -0.755 -2.009) 4.851 8.710 ( 4.090 -15.105 2.156) 15.796 8.915 ( -9.008 -4.428 -1.803) 10.199 9.575 ( 2.283 13.343 -1.546) 13.624 10.057 ( -0.769 22.776 -2.848) 22.966 14.616 ( -11.565 0.034 2.364) 11.804 14.787 ( 11.716 1.432 -4.833) 12.754 15.189 ( 8.481 14.777 3.556) 17.405 15.526 ( -7.787 19.742 -6.553) 22.211 16.418 ( 0.491 -1.618 2.908) 3.364 16.911 ( 0.659 14.455 -0.530) 14.480 17.630 ( -0.546 6.049 0.122) 6.075 18.759 ( 1.051 -11.077 -1.597) 11.241 18.976 ( 0.213 -0.016 0.308) 0.375 19.054 ( -0.661 -1.855 -0.273) 1.988 19.213 ( -0.229 3.067 -1.382) 3.372 19.799 ( -1.065 -7.142 -0.274) 7.226 ======================= Grid point 428 (202/226) ======================= q-point: ( 0.55 0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.002 ( 14.999 15.077 -3.799) 21.604 2.352 ( -1.106 1.296 10.014) 10.158 3.188 ( 9.269 39.206 -1.139) 40.303 4.222 ( -1.639 -11.577 -0.478) 11.702 4.338 ( -5.266 -1.215 6.107) 8.155 4.519 ( 0.807 -0.683 -3.364) 3.526 5.385 ( 0.812 6.330 -3.878) 7.468 5.663 ( -5.125 -15.452 4.988) 17.027 6.114 ( -2.823 -7.786 -5.927) 10.184 6.552 ( -1.523 -4.472 7.543) 8.901 6.753 ( 1.155 -6.521 -4.090) 7.784 6.918 ( 1.913 5.254 2.585) 6.160 8.063 ( -4.396 -8.790 -1.157) 9.896 8.318 ( -0.350 -0.131 -1.781) 1.820 8.490 ( -6.252 -12.638 2.554) 14.329 8.951 ( 14.246 -7.777 -1.520) 16.302 9.558 ( -15.927 13.920 0.560) 21.160 10.363 ( 11.454 15.901 -1.556) 19.659 14.451 ( -7.930 -1.457 2.646) 8.486 15.042 ( 18.183 1.052 -5.196) 18.940 15.426 ( -3.848 18.298 -2.072) 18.812 15.614 ( 3.648 14.068 0.208) 14.534 16.452 ( 2.721 -0.381 1.928) 3.356 17.061 ( 2.518 8.151 -0.632) 8.554 17.749 ( 3.922 13.240 1.892) 13.938 18.581 ( -5.711 -14.043 -3.977) 15.672 18.985 ( 0.468 0.411 0.290) 0.687 19.025 ( -0.617 -1.415 -0.085) 1.546 19.226 ( 0.062 1.430 -1.255) 1.904 19.710 ( -1.753 -5.364 1.014) 5.733 ======================= Grid point 429 (203/226) ======================= q-point: ( 0.64 0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.379 ( 9.691 22.421 -4.707) 24.876 2.432 ( 2.383 4.881 5.084) 7.440 3.715 ( 17.580 20.758 -2.787) 27.345 3.989 ( -8.898 -11.379 -3.877) 14.956 4.268 ( -4.113 -3.746 6.291) 8.398 4.629 ( 6.669 6.495 5.354) 10.739 5.322 ( -9.405 -6.083 1.469) 11.297 5.567 ( 3.070 -1.700 1.897) 3.990 5.912 ( -5.351 -10.264 -7.458) 13.770 6.527 ( -1.267 -1.265 0.900) 2.004 6.670 ( -0.138 -5.214 -3.984) 6.563 7.023 ( 1.329 6.502 1.819) 6.881 7.889 ( -4.954 -10.463 0.893) 11.611 8.144 ( -7.653 -9.114 -2.744) 12.214 8.454 ( 2.306 0.922 2.872) 3.797 9.114 ( 11.775 -8.017 -0.539) 14.255 9.404 ( -13.228 8.982 1.840) 16.094 10.668 ( 8.673 11.445 -0.596) 14.372 14.349 ( -3.209 -3.433 2.662) 5.401 15.309 ( 11.027 2.395 -3.081) 11.697 15.487 ( -2.238 17.524 -5.604) 18.534 15.847 ( 6.963 7.896 3.508) 11.097 16.529 ( 3.904 3.204 1.710) 5.332 17.104 ( -0.911 -1.118 -1.196) 1.873 18.047 ( 9.555 16.978 5.305) 20.191 18.254 ( -10.993 -15.968 -6.597) 20.478 18.989 ( -0.441 -1.714 0.664) 1.891 19.023 ( 1.188 2.287 -0.720) 2.676 19.232 ( 0.355 0.168 -0.649) 0.759 19.651 ( -1.278 -2.973 1.256) 3.472 ======================= Grid point 430 (204/226) ======================= q-point: ( 0.73 0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.566 ( 1.662 10.334 0.580) 10.483 2.712 ( 2.797 26.241 -0.396) 26.392 3.651 ( -11.325 -12.893 -3.054) 17.430 4.177 ( 16.626 6.772 -5.721) 18.842 4.201 ( 2.093 -7.027 6.570) 9.845 4.891 ( 8.105 8.755 9.619) 15.325 5.099 ( -9.208 -2.273 0.358) 9.491 5.611 ( 1.860 -5.407 -1.040) 5.812 5.684 ( -3.143 -8.408 -3.912) 9.792 6.465 ( -1.904 -2.890 -7.694) 8.437 6.640 ( 1.073 -0.132 0.189) 1.097 7.089 ( -0.649 3.997 -0.302) 4.060 7.697 ( -7.934 -7.354 3.486) 11.366 7.949 ( -4.595 -4.416 -4.205) 7.635 8.543 ( 4.095 1.697 2.930) 5.314 9.066 ( -14.222 6.766 1.380) 15.810 9.426 ( 12.966 -10.538 1.584) 16.783 10.870 ( 3.892 8.567 -0.469) 9.421 14.298 ( 0.318 -5.042 2.214) 5.516 15.384 ( -5.240 12.307 -3.497) 13.826 15.694 ( 11.453 6.603 -1.321) 13.286 16.017 ( 4.520 3.903 1.653) 6.196 16.671 ( 5.154 6.068 3.101) 8.544 17.020 ( -3.924 -4.401 -1.475) 6.078 17.842 ( -13.427 -16.967 -4.285) 22.057 18.406 ( 10.342 13.148 3.444) 17.079 18.958 ( -1.054 -1.869 -0.289) 2.165 19.094 ( 3.467 4.618 -0.384) 5.787 19.234 ( 0.141 -0.286 0.145) 0.350 19.612 ( -1.026 -2.397 0.302) 2.625 ======================= Grid point 437 (205/226) ======================= q-point: ( 0.36 0.55 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.738 ( -10.414 19.481 10.002) 24.248 2.319 ( -0.361 1.310 11.574) 11.654 3.257 ( -27.269 25.343 -4.287) 37.474 4.077 ( 7.832 -10.662 4.581) 14.000 4.507 ( -1.069 2.706 -2.837) 4.063 4.701 ( -0.214 1.437 -10.529) 10.629 5.370 ( -2.552 4.807 -3.212) 6.319 5.753 ( 17.095 -7.121 1.923) 18.618 5.919 ( -0.067 -11.891 3.310) 12.343 6.442 ( 5.619 -7.662 10.412) 14.095 6.747 ( -0.597 -4.213 -1.344) 4.463 6.989 ( -5.797 3.835 -0.734) 6.990 8.095 ( 4.387 -6.399 -3.043) 8.334 8.277 ( 1.562 -4.025 0.564) 4.354 8.519 ( 5.044 -9.622 0.903) 10.901 8.968 ( 19.308 9.702 -2.337) 21.735 9.540 ( -16.377 -3.473 1.408) 16.801 10.411 ( -10.925 16.237 -4.200) 20.016 14.587 ( -1.635 -7.232 -4.190) 8.517 14.903 ( 5.856 16.308 1.900) 17.431 15.274 ( -20.295 2.323 4.050) 20.825 15.722 ( -3.386 12.446 -3.517) 13.369 16.508 ( -2.745 1.530 -0.859) 3.258 17.001 ( -5.432 5.538 2.275) 8.084 17.730 ( -5.576 6.767 2.859) 9.223 18.568 ( 8.799 -9.031 -2.809) 12.918 18.982 ( -0.895 0.550 0.190) 1.067 19.051 ( 0.734 -1.635 -1.101) 2.103 19.225 ( -0.147 2.248 -1.571) 2.746 19.767 ( 2.205 -3.305 -2.417) 4.650 ======================= Grid point 438 (206/226) ======================= q-point: ( 0.45 0.55 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.819 ( -9.206 18.016 7.011) 21.412 2.379 ( 0.002 -0.259 8.311) 8.315 3.235 ( -9.471 38.334 -2.839) 39.589 4.105 ( 5.527 -11.996 4.881) 14.081 4.463 ( -1.779 -1.040 -3.358) 3.940 4.630 ( -3.763 1.703 -7.189) 8.291 5.359 ( -0.844 3.729 -3.876) 5.444 5.766 ( -0.387 -13.983 -0.394) 13.994 5.985 ( 11.034 -6.327 3.084) 13.087 6.517 ( 4.847 -9.718 11.061) 15.501 6.707 ( 1.218 -3.469 -0.867) 3.777 6.915 ( -5.149 4.133 -0.299) 6.609 8.120 ( 6.852 -5.775 -2.219) 9.232 8.203 ( -1.413 -9.105 0.720) 9.242 8.535 ( 3.336 -4.878 0.077) 5.910 9.097 ( -15.970 -7.720 -0.497) 17.745 9.474 ( 16.784 12.086 -3.307) 20.945 10.383 ( -10.521 17.247 -1.333) 20.246 14.546 ( 6.616 -3.066 -4.919) 8.796 14.973 ( -19.348 3.224 3.651) 19.951 15.222 ( 8.177 16.922 3.904) 19.195 15.772 ( -4.047 14.731 -5.282) 16.164 16.458 ( -3.946 1.089 1.534) 4.372 17.025 ( -0.745 6.817 1.312) 6.981 17.754 ( -3.300 11.450 1.813) 12.054 18.568 ( 5.333 -13.051 -3.033) 14.421 18.981 ( -0.299 0.670 0.524) 0.901 19.035 ( 0.257 -2.053 -0.609) 2.157 19.238 ( -0.259 2.392 -1.929) 3.083 19.735 ( 0.576 -5.259 -1.024) 5.389 ======================= Grid point 439 (207/226) ======================= q-point: ( 0.55 0.55 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.917 ( 3.834 12.570 -0.886) 13.171 2.413 ( -0.289 1.209 4.413) 4.585 3.549 ( -2.069 39.257 -0.741) 39.319 4.082 ( 3.080 -11.809 0.913) 12.238 4.442 ( 1.658 1.156 1.436) 2.479 4.525 ( -6.814 0.653 -1.275) 6.963 5.382 ( 3.311 1.129 -3.260) 4.782 5.600 ( -4.029 -12.061 1.224) 12.775 6.028 ( 1.474 -7.599 -2.214) 8.051 6.531 ( 1.370 -6.285 4.961) 8.124 6.693 ( -0.168 -2.713 1.254) 2.993 6.938 ( 2.138 4.516 1.840) 5.325 8.052 ( -3.980 -9.334 0.899) 10.187 8.190 ( 7.892 -10.975 -1.013) 13.556 8.484 ( -3.686 -5.711 0.643) 6.827 8.802 ( -5.204 -4.334 -2.966) 7.393 9.803 ( 4.784 11.965 -2.740) 13.174 10.411 ( -2.089 14.395 1.168) 14.592 14.626 ( -2.366 -0.646 0.032) 2.453 14.784 ( 1.612 2.403 -1.384) 3.208 15.539 ( 7.217 15.197 3.863) 17.261 15.800 ( -6.210 15.240 -6.569) 17.719 16.439 ( -0.373 0.479 3.039) 3.099 17.089 ( 1.029 2.909 0.370) 3.108 17.881 ( 0.276 17.829 2.533) 18.010 18.447 ( 0.224 -16.727 -5.142) 17.501 18.990 ( -0.015 0.740 0.984) 1.232 19.017 ( 0.011 -1.243 -0.249) 1.268 19.235 ( -0.687 1.015 -2.044) 2.383 19.689 ( -0.324 -3.987 1.251) 4.192 ======================= Grid point 440 (208/226) ======================= q-point: ( 0.64 0.55 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.228 ( 19.452 12.636 -4.779) 23.683 2.469 ( 1.661 5.493 1.595) 5.956 3.788 ( -1.240 8.530 -0.590) 8.640 3.989 ( -4.463 3.875 -4.971) 7.723 4.403 ( -8.298 -0.855 5.523) 10.005 4.609 ( 8.414 9.204 5.997) 13.838 5.396 ( -1.985 -14.848 1.709) 15.077 5.464 ( 1.163 3.884 -1.845) 4.455 5.892 ( -5.813 -6.655 -4.430) 9.884 6.500 ( -0.378 -2.631 -3.944) 4.756 6.668 ( -1.908 -0.644 3.533) 4.066 7.051 ( 3.411 3.342 2.928) 5.601 7.890 ( -5.003 -8.715 1.783) 10.206 8.080 ( -1.032 -18.386 -0.227) 18.416 8.447 ( 1.242 2.602 -0.087) 2.885 8.788 ( 9.252 -6.211 -2.835) 11.499 9.804 ( -14.036 10.831 -0.746) 17.745 10.619 ( 8.714 10.203 1.530) 13.505 14.472 ( -10.550 -0.127 3.253) 11.040 15.013 ( 18.007 1.335 -3.389) 18.371 15.754 ( -5.936 17.785 -4.183) 19.211 15.836 ( 4.129 8.404 0.321) 9.369 16.494 ( 3.769 1.130 3.419) 5.212 17.097 ( -0.622 -2.320 -0.526) 2.459 18.119 ( 1.983 17.070 -7.699) 18.831 18.203 ( -3.002 -16.086 4.147) 16.881 18.988 ( -0.593 -1.812 1.554) 2.459 19.029 ( 0.780 3.102 -0.257) 3.209 19.219 ( -0.024 -0.484 -1.382) 1.465 19.663 ( -1.043 -1.616 2.610) 3.242 ======================= Grid point 441 (209/226) ======================= q-point: (-0.27 -0.45 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.603 ( 4.645 9.151 0.741) 10.289 2.719 ( 22.139 16.675 -4.356) 28.057 3.627 ( -5.466 -15.587 -5.375) 17.370 4.057 ( 0.378 13.794 -0.993) 13.835 4.286 ( -7.449 -1.627 5.527) 9.417 4.887 ( 6.192 4.830 8.588) 11.638 5.228 ( -4.574 -2.811 2.428) 5.892 5.484 ( -0.006 -5.272 -4.616) 7.007 5.704 ( -5.602 -3.061 -1.069) 6.472 6.429 ( -1.776 -0.419 -7.535) 7.753 6.665 ( -1.574 2.306 2.080) 3.482 7.113 ( 0.754 -1.612 1.680) 2.447 7.750 ( -4.485 -5.363 3.710) 7.915 7.909 ( -0.248 -10.814 -2.812) 11.176 8.507 ( 2.690 1.744 0.912) 3.333 8.916 ( 14.724 -8.717 -2.030) 17.230 9.606 ( -18.869 8.223 0.948) 20.604 10.854 ( 7.142 7.054 1.182) 10.107 14.336 ( -6.592 -1.283 2.898) 7.314 15.315 ( 15.971 1.732 -1.674) 16.152 15.764 ( -5.534 14.937 -4.729) 16.617 16.003 ( 4.070 6.611 1.107) 7.842 16.620 ( 6.580 1.010 3.951) 7.741 17.027 ( -2.496 -4.113 -1.064) 4.928 17.821 ( -9.220 -16.946 -10.859) 22.138 18.432 ( 5.963 13.541 6.201) 16.043 18.961 ( -1.287 -1.875 0.886) 2.441 19.096 ( 2.124 5.567 0.187) 5.961 19.213 ( 0.949 -1.459 -0.146) 1.746 19.640 ( -2.448 -0.476 2.501) 3.532 ======================= Grid point 448 (210/226) ======================= q-point: ( 0.36 0.64 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.129 ( -4.459 22.847 6.498) 24.168 2.437 ( -3.952 5.736 5.187) 8.685 3.792 ( 2.446 -5.346 -0.164) 5.882 3.905 ( -16.157 3.495 3.686) 16.936 4.515 ( -1.107 -4.118 -7.480) 8.610 4.724 ( -2.828 12.943 -6.858) 14.918 5.377 ( 15.745 -2.117 3.245) 16.215 5.470 ( -3.535 -3.362 -1.864) 5.222 5.837 ( -0.438 -8.770 2.120) 9.033 6.387 ( 0.272 -3.723 8.213) 9.022 6.727 ( -2.624 -3.143 -2.560) 4.829 7.095 ( -1.803 4.468 -2.172) 5.285 7.936 ( 3.624 -7.731 -3.603) 9.267 8.069 ( 14.134 -11.886 1.208) 18.507 8.442 ( 0.539 2.926 0.594) 3.034 8.755 ( 13.159 5.686 0.897) 14.362 9.779 ( -14.811 -4.825 2.016) 15.707 10.663 ( -5.578 11.483 -3.500) 13.238 14.534 ( -4.234 -9.146 -3.741) 10.751 14.970 ( 6.377 16.528 1.522) 17.781 15.663 ( -18.384 2.129 4.988) 19.168 15.860 ( -3.165 9.052 -1.324) 9.680 16.553 ( -0.055 4.370 -3.226) 5.431 17.073 ( 0.165 -2.239 2.277) 3.198 17.886 ( 1.009 -4.108 13.888) 14.518 18.374 ( 0.236 2.464 -10.310) 10.603 19.013 ( 0.679 -1.596 -1.306) 2.171 19.027 ( -2.621 2.208 0.041) 3.428 19.221 ( 1.149 0.534 -1.723) 2.139 19.707 ( 0.250 -1.442 -2.644) 3.022 ======================= Grid point 449 (211/226) ======================= q-point: ( 0.45 0.64 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.275 ( -13.410 21.532 7.133) 26.350 2.458 ( -3.360 5.789 2.241) 7.058 3.693 ( -9.318 22.355 -0.284) 24.221 3.901 ( 7.114 -12.831 5.751) 15.759 4.402 ( 0.182 -5.730 -8.905) 10.591 4.735 ( -5.336 11.432 -6.592) 14.235 5.355 ( -1.363 -8.435 -2.521) 8.908 5.602 ( 8.735 -1.403 -1.681) 9.005 5.790 ( 4.776 -8.968 6.367) 11.990 6.433 ( 3.215 -4.692 9.951) 11.462 6.662 ( -0.253 -2.274 -1.256) 2.611 7.050 ( -5.839 3.314 -1.333) 6.845 7.922 ( 5.942 -8.082 -2.916) 10.446 8.091 ( 2.971 -12.676 3.318) 13.436 8.491 ( 1.419 3.124 -1.379) 3.698 9.117 ( 14.372 5.807 -0.853) 15.524 9.432 ( -12.558 -5.283 -1.317) 13.688 10.673 ( -6.783 12.702 -1.217) 14.452 14.408 ( 1.699 -5.194 -4.178) 6.879 15.256 ( 2.702 11.259 3.090) 11.984 15.400 ( -15.902 8.810 4.294) 18.679 15.901 ( -1.255 8.895 -2.671) 9.372 16.564 ( -3.344 5.791 -2.076) 7.002 17.068 ( 0.177 -1.572 2.869) 3.276 17.943 ( -1.156 3.642 11.143) 11.780 18.340 ( 2.527 -4.497 -10.064) 11.309 18.999 ( 0.418 -1.941 -0.055) 1.986 19.015 ( -1.332 2.183 -0.155) 2.562 19.239 ( 0.892 1.032 -1.773) 2.237 19.675 ( 0.478 -3.191 -1.616) 3.608 ======================= Grid point 450 (212/226) ======================= q-point: ( 0.55 0.64 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.166 ( -17.196 11.634 2.413) 20.902 2.471 ( -2.007 5.919 -0.359) 6.260 3.844 ( 0.916 -5.062 2.430) 5.689 3.980 ( 3.948 21.091 2.461) 21.598 4.360 ( 5.225 -1.270 -4.970) 7.322 4.692 ( -7.874 8.260 -2.946) 11.786 5.247 ( 2.631 -11.609 -2.826) 12.235 5.612 ( -2.426 0.674 -2.036) 3.238 5.879 ( 7.673 -7.664 3.837) 11.503 6.483 ( 1.563 -3.698 5.867) 7.109 6.669 ( 2.388 -1.627 3.093) 4.232 6.991 ( -3.338 3.646 -0.293) 4.952 7.913 ( 5.871 -15.678 -0.874) 16.764 8.014 ( -0.125 -8.191 2.664) 8.615 8.515 ( -1.408 2.813 -2.429) 3.974 8.912 ( -15.065 -8.955 -2.141) 17.656 9.667 ( 18.622 10.661 -2.975) 21.663 10.656 ( -8.286 10.647 1.175) 13.543 14.452 ( 9.398 -1.394 -3.580) 10.153 15.060 ( -18.552 1.695 3.836) 19.020 15.594 ( 5.652 15.325 2.898) 16.590 15.953 ( -1.167 9.553 -4.848) 10.776 16.530 ( -5.581 4.916 0.382) 7.447 17.079 ( 1.291 -2.555 2.052) 3.522 18.064 ( 2.831 3.595 11.869) 12.720 18.240 ( -1.140 -3.677 -13.517) 14.054 18.989 ( 0.536 -2.058 0.694) 2.237 19.024 ( -0.692 3.129 0.281) 3.217 19.240 ( -0.415 0.287 -1.941) 2.005 19.656 ( 1.105 -2.437 0.752) 2.779 ======================= Grid point 451 (213/226) ======================= q-point: (-0.36 -0.36 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.101 ( 1.322 7.261 -1.626) 7.558 2.517 ( 0.286 8.579 -1.883) 8.788 3.722 ( -0.690 -16.174 -1.847) 16.293 4.209 ( -2.858 15.841 1.378) 16.156 4.502 ( 2.509 1.306 2.548) 3.807 4.657 ( -1.149 15.712 0.766) 15.773 5.190 ( 5.080 -10.436 -3.394) 12.093 5.560 ( -4.381 2.719 -0.144) 5.158 5.889 ( -0.626 -4.873 0.394) 4.929 6.484 ( -0.825 0.734 -1.889) 2.188 6.713 ( 0.445 -1.052 7.128) 7.219 7.018 ( 2.541 0.494 1.520) 3.002 7.788 ( 3.101 -21.972 1.877) 22.269 7.948 ( -2.396 -6.787 0.989) 7.265 8.478 ( -2.713 3.622 -2.402) 5.124 8.677 ( -2.670 -4.388 -3.851) 6.420 9.972 ( 5.414 8.497 -3.366) 10.622 10.657 ( -2.043 8.157 3.424) 9.079 14.609 ( 6.099 -0.022 -0.971) 6.176 14.840 ( -6.617 2.400 2.093) 7.343 15.829 ( 5.407 10.122 1.572) 11.583 15.983 ( -3.765 11.680 -6.498) 13.886 16.504 ( -2.104 2.391 2.906) 4.311 17.067 ( 0.293 -4.683 0.641) 4.736 18.004 ( -0.516 -19.772 -8.150) 21.392 18.300 ( 1.034 18.381 3.858) 18.810 18.983 ( 0.208 -1.889 1.553) 2.455 19.060 ( 0.119 4.803 0.660) 4.849 19.213 ( -0.998 -0.830 -1.541) 2.015 19.672 ( 0.861 -0.354 2.786) 2.937 ======================= Grid point 452 (214/226) ======================= q-point: (-0.27 -0.36 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.358 ( 21.890 4.420 -2.557) 22.478 2.642 ( 4.401 11.991 -2.319) 12.982 3.506 ( -2.988 -16.783 -4.824) 17.716 4.269 ( -5.742 9.364 3.491) 11.525 4.432 ( -6.249 -0.273 2.721) 6.821 4.882 ( 2.601 6.118 0.244) 6.652 5.181 ( 4.588 -0.819 0.392) 4.677 5.528 ( -3.585 3.667 1.487) 5.340 5.783 ( -6.738 -2.470 -0.508) 7.195 6.451 ( -2.999 4.063 -5.459) 7.436 6.748 ( -1.798 3.581 4.514) 6.036 7.029 ( 2.356 -12.081 3.308) 12.745 7.686 ( 7.139 -14.875 -0.062) 16.500 7.826 ( -5.450 -3.401 2.574) 6.921 8.504 ( 0.778 3.749 -1.596) 4.148 8.645 ( 6.737 -4.121 -3.981) 8.844 9.956 ( -12.031 6.025 -2.042) 13.610 10.799 ( 6.792 5.362 3.160) 9.212 14.511 ( -11.275 0.461 2.637) 11.589 15.024 ( 17.321 2.056 -0.581) 17.453 15.944 ( -2.458 8.193 -5.127) 9.972 16.036 ( 1.014 10.436 -0.258) 10.488 16.549 ( 3.449 -0.336 4.316) 5.535 17.005 ( -1.068 -5.681 -0.712) 5.824 17.710 ( -5.098 -17.269 -11.599) 21.419 18.519 ( 2.905 12.624 4.677) 13.772 18.972 ( -0.842 -1.607 1.931) 2.650 19.133 ( 1.094 7.110 0.451) 7.208 19.185 ( 0.070 -1.936 0.192) 1.947 19.695 ( -1.146 1.116 3.305) 3.672 ======================= Grid point 537 (215/226) ======================= q-point: ( 0.36 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( -0.000 0.000 10.704) 10.704 1.211 ( -0.000 0.000 10.704) 10.704 2.441 ( -0.000 0.000 21.099) 21.099 4.521 ( -0.000 0.000 1.161) 1.161 4.575 ( 0.000 -0.000 -7.792) 7.792 4.575 ( 0.000 -0.000 -7.792) 7.792 5.289 ( 0.000 -0.000 -9.493) 9.493 6.227 ( -0.000 0.000 4.228) 4.228 6.227 ( -0.000 0.000 4.228) 4.228 6.720 ( -0.000 0.000 1.228) 1.228 6.720 ( -0.000 0.000 1.228) 1.228 7.297 ( -0.000 0.000 2.237) 2.237 8.262 ( 0.000 -0.000 -4.853) 4.853 8.582 ( -0.000 0.000 0.643) 0.643 9.039 ( 0.000 -0.000 -0.442) 0.442 9.039 ( 0.000 0.000 -0.442) 0.442 9.151 ( 0.000 -0.000 -0.099) 0.099 9.151 ( 0.000 0.000 -0.099) 0.099 14.671 ( -0.000 0.000 2.899) 2.899 14.671 ( -0.000 0.000 2.899) 2.899 14.922 ( 0.000 -0.000 -4.211) 4.211 14.922 ( 0.000 -0.000 -4.211) 4.211 16.483 ( -0.000 0.000 2.204) 2.204 16.483 ( -0.000 0.000 2.204) 2.204 17.565 ( 0.000 -0.000 -0.762) 0.762 18.975 ( -0.000 0.000 0.674) 0.674 19.012 ( -0.000 0.000 0.305) 0.305 19.106 ( 0.000 -0.000 -0.400) 0.400 19.106 ( 0.000 -0.000 -0.400) 0.400 19.996 ( 0.000 -0.000 -0.019) 0.019 ======================= Grid point 538 (216/226) ======================= q-point: ( 0.45 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( 0.734 15.397 10.493) 18.647 1.775 ( 39.084 11.298 4.867) 40.975 2.497 ( -3.689 -1.365 13.890) 14.436 4.410 ( -6.294 -3.586 1.776) 7.458 4.526 ( -2.036 0.556 -3.820) 4.364 4.606 ( 4.161 -1.064 -7.444) 8.594 5.242 ( 0.789 0.587 -7.808) 7.870 6.116 ( -6.917 -7.766 5.383) 11.710 6.249 ( -5.151 2.409 0.287) 5.693 6.702 ( -2.122 -1.600 4.675) 5.378 6.766 ( 3.156 -0.606 0.735) 3.296 7.104 ( -14.078 -4.627 1.853) 14.934 8.225 ( -0.877 -0.228 -3.136) 3.264 8.411 ( -7.497 -4.887 -0.418) 8.959 8.930 ( -6.772 -0.779 0.474) 6.833 9.045 ( -6.315 -4.283 -1.096) 7.709 9.262 ( 12.239 -0.764 1.360) 12.338 9.557 ( 25.599 18.827 -4.105) 32.041 14.608 ( 1.202 -7.235 3.054) 7.944 14.791 ( -1.687 8.726 -2.655) 9.275 14.940 ( 5.007 11.217 0.996) 12.324 15.122 ( 18.426 1.063 -5.225) 19.182 16.506 ( -0.598 1.070 0.630) 1.378 16.581 ( 9.097 4.040 2.118) 10.176 17.572 ( 1.196 0.534 -0.564) 1.426 18.930 ( -6.279 -3.034 0.456) 6.989 18.980 ( -0.395 -0.043 0.149) 0.424 19.093 ( -0.381 -1.412 -0.455) 1.531 19.143 ( 2.103 1.850 -0.260) 2.813 19.937 ( -4.432 -2.990 -0.324) 5.355 ======================= Grid point 539 (217/226) ======================= q-point: ( 0.55 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( 8.063 12.711 6.684) 16.470 2.386 ( 0.970 -1.893 12.823) 12.998 2.736 ( 36.464 20.235 -4.426) 41.937 4.271 ( -9.281 -3.222 4.478) 10.797 4.457 ( -0.888 -3.769 -2.592) 4.660 4.609 ( 2.493 -1.246 -7.175) 7.698 5.270 ( 4.425 2.726 -3.729) 6.396 5.888 ( -11.942 -10.918 4.046) 16.679 6.143 ( -8.615 1.603 0.023) 8.763 6.619 ( -7.540 -5.065 8.297) 12.302 6.803 ( -0.717 1.824 -0.964) 2.184 6.934 ( -0.572 -0.885 -3.189) 3.358 8.197 ( -3.414 1.848 -1.092) 4.032 8.264 ( -2.485 -5.833 -0.996) 6.418 8.787 ( -5.030 -17.121 -1.951) 17.951 8.842 ( -14.276 9.577 1.961) 17.302 9.498 ( 13.561 1.072 2.265) 13.791 10.094 ( 20.058 13.527 -4.390) 24.588 14.595 ( 4.425 -9.261 3.096) 10.721 14.799 ( -4.894 11.693 -5.197) 13.700 15.240 ( 12.742 11.942 3.041) 17.727 15.432 ( 16.599 3.357 -3.406) 17.274 16.497 ( -0.328 -0.192 -1.251) 1.307 16.863 ( 13.151 8.154 1.859) 15.585 17.631 ( 5.308 2.676 0.069) 5.945 18.734 ( -11.572 -6.134 -0.023) 13.097 18.979 ( 0.113 0.263 0.032) 0.288 19.063 ( -0.993 -1.329 -0.715) 1.807 19.191 ( 1.634 1.195 -0.155) 2.031 19.814 ( -4.788 -3.643 -1.053) 6.107 ======================= Grid point 540 (218/226) ======================= q-point: ( 0.64 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.876 ( 10.426 7.895 3.667) 13.582 2.407 ( 1.049 0.054 5.048) 5.157 3.568 ( 33.233 21.850 -2.863) 39.875 4.058 ( -12.227 -5.834 3.497) 13.992 4.438 ( 4.712 -4.448 -0.365) 6.490 4.591 ( 0.112 1.559 -6.266) 6.458 5.348 ( 1.446 -2.572 0.707) 3.034 5.595 ( -10.766 -5.107 1.750) 12.043 6.007 ( -7.726 -0.396 0.326) 7.743 6.506 ( -5.377 -1.422 5.580) 7.878 6.767 ( -2.360 1.785 -5.015) 5.823 6.971 ( 5.772 -1.882 -2.065) 6.413 8.078 ( -8.754 0.455 -2.146) 9.024 8.181 ( -4.412 -11.507 0.053) 12.324 8.493 ( -9.109 -3.816 -0.348) 9.882 8.749 ( -7.026 2.394 3.151) 8.064 9.752 ( 12.908 0.873 2.973) 13.275 10.453 ( 12.115 9.003 -3.630) 15.524 14.602 ( 4.355 -7.955 2.226) 9.338 14.810 ( -3.269 10.074 -3.809) 11.255 15.588 ( 15.686 5.074 -0.893) 16.510 15.703 ( 9.252 8.714 3.679) 13.231 16.488 ( 0.878 0.125 -2.649) 2.793 17.086 ( 3.473 2.614 0.823) 4.424 17.867 ( 14.178 9.043 4.167) 17.325 18.421 ( -14.623 -9.396 -2.192) 17.519 18.997 ( 1.580 1.010 -0.115) 1.879 19.026 ( -1.317 -1.189 -1.071) 2.072 19.215 ( 0.131 0.562 0.226) 0.620 19.715 ( -2.221 -2.134 -1.765) 3.550 ======================= Grid point 549 (219/226) ======================= q-point: ( 0.45 0.45 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.408 ( 12.050 10.011 5.873) 16.730 1.760 ( -9.917 38.459 4.737) 39.998 2.568 ( 0.599 -5.351 10.137) 11.478 4.452 ( -1.108 -2.803 -1.384) 3.317 4.466 ( 2.157 -5.221 2.694) 6.259 4.567 ( -2.127 1.658 -7.444) 7.917 5.209 ( 0.102 2.315 -6.448) 6.852 6.144 ( -2.837 -9.607 4.295) 10.899 6.258 ( 3.829 -2.681 -0.633) 4.717 6.743 ( 0.924 0.734 2.762) 3.003 6.753 ( -2.818 1.328 1.264) 3.362 7.096 ( 2.348 -17.928 1.860) 18.176 8.216 ( 0.081 0.392 -2.667) 2.697 8.403 ( -0.223 -9.809 0.006) 9.812 8.942 ( 10.459 -6.876 0.171) 12.518 9.023 ( -13.331 -7.062 -0.202) 15.088 9.315 ( 0.443 11.796 -1.065) 11.852 9.505 ( 1.567 30.037 -1.546) 30.118 14.643 ( -8.279 -1.412 3.510) 9.102 14.749 ( 8.603 0.001 -3.247) 9.195 14.949 ( 7.619 10.497 1.808) 13.096 15.104 ( -7.649 17.602 -4.934) 19.816 16.473 ( 0.526 -2.014 2.338) 3.131 16.627 ( -0.373 11.317 -0.166) 11.324 17.569 ( -0.107 1.220 -0.371) 1.280 18.935 ( 0.401 -6.676 0.182) 6.690 18.981 ( 0.098 -0.355 0.163) 0.403 19.086 ( -0.679 -1.379 -0.104) 1.541 19.146 ( 0.316 3.099 -0.469) 3.150 19.934 ( -0.258 -5.819 -0.100) 5.826 ======================= Grid point 550 (220/226) ======================= q-point: ( 0.55 0.45 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.670 ( 5.871 15.232 -4.562) 16.950 2.308 ( 16.857 25.298 12.275) 32.784 2.565 ( 3.605 6.570 -1.118) 7.577 4.398 ( -5.987 -2.124 5.678) 8.520 4.409 ( -1.086 -6.879 -3.322) 7.716 4.526 ( 2.220 -1.367 -2.870) 3.877 5.235 ( 2.235 5.488 -3.564) 6.915 5.974 ( -7.523 -12.296 4.898) 15.224 6.209 ( -2.777 -4.662 -4.400) 6.987 6.700 ( -3.801 -4.763 6.245) 8.725 6.810 ( 2.467 2.850 1.406) 4.023 6.915 ( -4.163 -9.465 -4.607) 11.320 8.190 ( -0.922 -3.163 -1.314) 3.547 8.301 ( -2.923 -2.547 -0.167) 3.881 8.739 ( -8.559 -10.866 -0.386) 13.837 9.117 ( 13.315 -6.636 1.021) 14.912 9.290 ( -10.406 11.651 1.125) 15.662 9.965 ( 15.624 22.978 -2.154) 27.870 14.525 ( -3.740 -4.472 3.661) 6.884 14.956 ( 11.624 7.836 -5.907) 15.212 15.082 ( -1.655 10.064 -4.036) 10.969 15.321 ( 10.814 16.700 3.715) 20.239 16.481 ( 0.719 -1.553 0.440) 1.767 16.806 ( 6.670 14.062 0.054) 15.564 17.600 ( 2.057 3.413 0.147) 3.988 18.808 ( -5.904 -9.442 -0.606) 11.152 18.980 ( 0.012 -0.012 -0.022) 0.028 19.060 ( -0.754 -1.698 0.319) 1.885 19.184 ( 1.092 2.264 -0.432) 2.550 19.835 ( -3.373 -6.371 0.247) 7.213 ======================= Grid point 551 (221/226) ======================= q-point: ( 0.64 0.45 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.915 ( 5.280 19.767 -3.948) 20.837 2.426 ( -0.780 -1.592 3.011) 3.494 3.212 ( 31.075 27.652 -0.508) 41.600 4.179 ( -9.605 -9.102 -2.902) 13.547 4.377 ( -1.139 -3.418 5.198) 6.324 4.568 ( 3.077 2.120 0.650) 3.792 5.327 ( 1.952 3.870 -0.199) 4.339 5.722 ( -10.122 -9.979 4.180) 14.816 6.057 ( -4.142 -7.750 -4.754) 9.991 6.594 ( -5.342 -4.611 2.990) 7.664 6.755 ( -1.333 -5.585 -7.330) 9.312 6.903 ( 2.050 5.383 1.145) 5.872 8.097 ( -1.698 -9.801 0.434) 9.956 8.224 ( -7.388 -0.378 -1.655) 7.581 8.527 ( -3.453 -7.724 0.996) 8.519 9.081 ( -16.016 10.704 1.365) 19.312 9.424 ( 18.323 -8.129 2.423) 20.191 10.384 ( 11.064 16.762 -1.306) 20.127 14.468 ( 0.879 -6.972 3.915) 8.044 15.051 ( -8.227 18.311 -5.216) 20.741 15.294 ( 18.680 1.258 -4.466) 19.248 15.679 ( 10.233 12.342 5.396) 16.916 16.480 ( 0.217 1.501 -1.040) 1.839 17.043 ( 5.705 6.472 -0.690) 8.655 17.762 ( 9.956 10.938 0.795) 14.812 18.542 ( -11.737 -12.989 -0.121) 17.507 18.987 ( 0.673 0.780 -0.189) 1.048 19.029 ( -1.125 -1.647 0.036) 1.995 19.219 ( 0.892 1.156 0.363) 1.504 19.726 ( -3.044 -4.047 0.186) 5.068 ======================= Grid point 560 (222/226) ======================= q-point: ( 0.45 0.55 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( -6.330 13.692 10.084) 18.145 2.435 ( -19.015 31.103 4.123) 36.687 2.511 ( 0.044 0.551 -1.358) 1.466 4.334 ( 5.144 -7.997 4.469) 10.506 4.472 ( -0.772 -1.047 -1.378) 1.895 4.564 ( -0.839 0.864 -7.790) 7.883 5.231 ( -2.301 5.131 -3.107) 6.425 6.043 ( 5.246 -12.377 -2.915) 13.755 6.117 ( 6.073 -5.074 6.057) 9.966 6.742 ( 2.739 -1.466 4.965) 5.857 6.802 ( 6.047 -5.096 -0.428) 7.920 6.866 ( -3.409 -6.355 0.317) 7.219 8.188 ( 2.803 -1.697 -1.049) 3.441 8.305 ( 0.686 -4.422 -0.613) 4.517 8.727 ( 4.639 -12.067 0.966) 12.964 9.143 ( 10.664 6.997 -1.840) 12.887 9.307 ( -11.174 -0.827 -0.829) 11.236 9.957 ( -13.980 24.635 -1.240) 28.353 14.598 ( 2.185 -5.315 -4.621) 7.375 14.858 ( -2.444 12.250 5.112) 13.497 15.014 ( -7.757 4.354 3.702) 9.635 15.405 ( -8.580 18.481 -5.707) 21.160 16.476 ( -1.062 -1.490 0.994) 2.082 16.804 ( -6.197 13.285 0.305) 14.662 17.605 ( -2.195 3.767 -0.363) 4.375 18.800 ( 5.924 -9.789 0.377) 11.448 18.978 ( 0.042 -0.105 0.217) 0.245 19.069 ( 0.611 -1.626 -0.664) 1.860 19.182 ( -0.982 2.526 -0.266) 2.723 19.843 ( 3.066 -5.883 -0.761) 6.678 ======================= Grid point 561 (223/226) ======================= q-point: ( 0.55 0.55 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.655 ( 2.138 12.598 -1.523) 12.868 2.485 ( -1.068 -5.033 4.032) 6.536 2.680 ( -0.258 45.408 -0.910) 45.418 4.317 ( 0.964 -10.170 0.209) 10.218 4.455 ( 2.355 -1.367 -0.457) 2.761 4.512 ( -3.945 0.482 1.263) 4.170 5.256 ( 0.355 6.736 -2.211) 7.098 5.918 ( -0.360 -16.001 0.825) 16.026 6.154 ( 0.141 -6.016 -1.584) 6.223 6.731 ( 0.767 -10.718 -3.193) 11.210 6.754 ( -2.688 -2.379 4.116) 5.462 6.873 ( 2.957 1.212 2.848) 4.280 8.195 ( -3.896 -3.178 -0.790) 5.089 8.257 ( 4.416 -3.511 -0.175) 5.644 8.749 ( 7.517 -14.305 2.344) 16.328 8.879 ( -12.073 -5.460 -2.266) 13.443 9.540 ( 4.929 12.824 -2.451) 13.956 10.045 ( -1.622 23.726 1.243) 23.814 14.643 ( 0.809 -1.362 -1.014) 1.881 14.734 ( -1.889 2.047 0.688) 2.869 15.248 ( 5.722 15.738 2.471) 16.927 15.433 ( -4.667 18.842 -3.690) 19.758 16.465 ( 0.226 -1.275 2.447) 2.768 16.893 ( 0.121 15.052 -1.502) 15.127 17.631 ( -0.142 6.670 0.012) 6.672 18.740 ( 0.246 -13.080 -0.717) 13.102 18.979 ( 0.034 0.138 0.072) 0.160 19.054 ( -0.073 -1.845 0.322) 1.874 19.195 ( -0.150 2.258 -0.671) 2.360 19.801 ( -0.116 -6.699 0.452) 6.715 ======================= Grid point 562 (224/226) ======================= q-point: (-0.36 -0.45 -0.64) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.897 ( 12.840 16.308 -8.189) 22.313 2.432 ( -0.712 -1.504 -1.097) 1.993 3.195 ( 8.861 37.813 2.293) 38.905 4.163 ( -4.340 -11.908 -5.034) 13.637 4.453 ( -3.719 -0.360 4.431) 5.796 4.539 ( 4.091 1.862 6.907) 8.241 5.345 ( 2.232 6.798 -0.502) 7.172 5.737 ( -2.915 -16.832 3.223) 17.384 6.006 ( -5.357 -7.711 -6.286) 11.299 6.590 ( -2.154 -9.226 -5.357) 10.884 6.710 ( -2.325 -2.054 1.672) 3.524 6.962 ( 1.261 6.212 2.265) 6.731 8.060 ( -4.022 -7.871 0.917) 8.886 8.292 ( -1.227 -1.509 -1.197) 2.283 8.521 ( -6.303 -10.590 0.881) 12.355 8.942 ( 16.402 -10.090 0.506) 19.264 9.558 ( -13.534 13.339 -0.591) 19.012 10.362 ( 10.364 17.135 1.491) 20.081 14.512 ( -8.075 -1.838 4.260) 9.313 14.959 ( 18.495 1.936 -4.347) 19.098 15.355 ( -8.309 19.182 -5.147) 21.528 15.658 ( 8.681 11.627 3.814) 15.004 16.485 ( 1.172 1.021 1.758) 2.347 17.038 ( 2.329 8.290 -1.936) 8.825 17.760 ( 4.426 13.383 -0.572) 14.108 18.546 ( -5.408 -15.772 -0.276) 16.676 18.986 ( 0.303 0.996 -0.152) 1.053 19.033 ( -0.842 -1.762 0.910) 2.154 19.213 ( 0.773 0.904 -0.117) 1.195 19.733 ( -1.779 -4.361 1.634) 4.985 ======================= Grid point 672 (225/226) ======================= q-point: ( 0.45 0.45 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( -0.000 0.000 3.845) 3.845 1.337 ( -0.000 0.000 3.845) 3.845 2.689 ( -0.000 0.000 7.560) 7.560 4.482 ( 0.000 -0.000 -2.855) 2.855 4.482 ( 0.000 -0.000 -2.855) 2.855 4.543 ( -0.000 0.000 1.024) 1.024 5.165 ( 0.000 -0.000 -4.239) 4.239 6.276 ( -0.000 0.000 1.465) 1.465 6.276 ( -0.000 0.000 1.465) 1.465 6.734 ( -0.000 0.000 0.448) 0.448 6.734 ( -0.000 0.000 0.448) 0.448 7.325 ( -0.000 0.000 0.873) 0.873 8.201 ( 0.000 -0.000 -1.955) 1.955 8.590 ( -0.000 0.000 0.254) 0.254 9.034 ( 0.000 -0.000 -0.137) 0.137 9.034 ( 0.000 0.000 -0.137) 0.137 9.149 ( 0.000 -0.000 -0.075) 0.075 9.149 ( 0.000 0.000 -0.075) 0.075 14.722 ( -0.000 0.000 2.494) 2.494 14.722 ( -0.000 0.000 2.494) 2.494 14.856 ( 0.000 -0.000 -2.976) 2.976 14.856 ( 0.000 -0.000 -2.976) 2.976 16.510 ( -0.000 0.000 0.815) 0.815 16.510 ( -0.000 0.000 0.815) 0.815 17.556 ( 0.000 -0.000 -0.283) 0.283 18.984 ( -0.000 0.000 0.315) 0.315 19.015 ( -0.000 0.000 0.050) 0.050 19.101 ( 0.000 -0.000 -0.150) 0.150 19.101 ( 0.000 -0.000 -0.150) 0.150 19.995 ( 0.000 -0.000 -0.008) 0.008 ======================= Grid point 673 (226/226) ======================= q-point: ( 0.55 0.45 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( 5.863 5.943 3.283) 8.971 1.808 ( 35.008 18.120 -0.740) 39.427 2.636 ( -6.383 -3.523 2.175) 7.609 4.449 ( -2.998 -1.250 1.923) 3.775 4.478 ( -0.301 -0.860 -1.077) 1.411 4.523 ( -0.608 -0.404 -2.460) 2.566 5.160 ( 1.772 1.036 -1.116) 2.336 6.179 ( -7.785 -6.081 1.129) 9.943 6.244 ( -3.927 -0.385 -0.017) 3.946 6.754 ( 0.886 0.516 1.378) 1.717 6.769 ( 2.364 0.898 -0.464) 2.572 7.114 ( -15.177 -8.284 -0.374) 17.295 8.194 ( 0.163 0.219 -0.296) 0.403 8.406 ( -8.521 -5.098 -0.252) 9.933 8.939 ( -3.352 -6.244 0.463) 7.102 9.027 ( -9.868 1.889 -0.756) 10.076 9.290 ( 11.844 1.070 1.742) 12.019 9.508 ( 24.909 16.719 -1.680) 30.046 14.668 ( 0.326 -5.908 3.369) 6.809 14.725 ( -3.068 5.363 -3.723) 7.214 14.975 ( 9.719 6.535 1.004) 11.754 15.056 ( 15.412 7.014 -1.116) 16.970 16.502 ( -1.035 -0.477 -1.021) 1.531 16.613 ( 8.905 5.042 1.441) 10.334 17.566 ( 1.169 0.651 -0.117) 1.343 18.935 ( -6.153 -3.467 0.152) 7.065 18.982 ( -0.245 -0.125 0.037) 0.278 19.087 ( -0.995 -0.763 -0.193) 1.269 19.142 ( 2.399 1.500 0.082) 2.831 19.934 ( -4.944 -2.913 -0.107) 5.739 =================== 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 1291.382 1291.382 755.875 0.000 -0.000 -0.000 3/39930 20.0 854.501 854.501 433.691 0.000 -0.000 -0.000 3/39930 30.0 487.109 487.109 182.403 0.000 -0.000 -0.000 3/39930 40.0 263.733 263.733 83.347 0.000 -0.000 -0.000 3/39930 50.0 160.939 160.939 45.421 0.000 -0.000 -0.000 3/39930 60.0 110.030 110.030 28.775 0.000 -0.000 -0.000 3/39930 70.0 81.727 81.727 20.335 0.000 -0.000 -0.000 3/39930 80.0 64.382 64.382 15.510 0.000 -0.000 -0.000 3/39930 90.0 52.900 52.900 12.479 0.000 -0.000 -0.000 3/39930 100.0 44.822 44.822 10.430 -0.000 -0.000 -0.000 3/39930 110.0 38.858 38.858 8.963 -0.000 -0.000 -0.000 3/39930 120.0 34.282 34.282 7.865 -0.000 -0.000 -0.000 3/39930 130.0 30.661 30.661 7.014 -0.000 -0.000 -0.000 3/39930 140.0 27.726 27.726 6.334 -0.000 -0.000 -0.000 3/39930 150.0 25.299 25.299 5.780 -0.000 -0.000 -0.000 3/39930 160.0 23.259 23.259 5.319 -0.000 -0.000 -0.000 3/39930 170.0 21.520 21.520 4.929 -0.000 -0.000 -0.000 3/39930 180.0 20.021 20.021 4.594 -0.000 -0.000 -0.000 3/39930 190.0 18.717 18.717 4.305 -0.000 -0.000 -0.000 3/39930 200.0 17.571 17.571 4.051 -0.000 -0.000 -0.000 3/39930 210.0 16.558 16.558 3.827 -0.000 -0.000 -0.000 3/39930 220.0 15.655 15.655 3.628 -0.000 -0.000 -0.000 3/39930 230.0 14.846 14.846 3.450 -0.000 -0.000 -0.000 3/39930 240.0 14.117 14.117 3.289 -0.000 -0.000 -0.000 3/39930 250.0 13.457 13.457 3.143 -0.000 -0.000 -0.000 3/39930 260.0 12.857 12.857 3.010 -0.000 -0.000 -0.000 3/39930 270.0 12.308 12.308 2.888 -0.000 -0.000 -0.000 3/39930 280.0 11.805 11.805 2.776 -0.000 -0.000 -0.000 3/39930 290.0 11.343 11.343 2.673 -0.000 -0.000 -0.000 3/39930 300.0 10.915 10.915 2.578 -0.000 -0.000 -0.000 3/39930 310.0 10.520 10.520 2.489 -0.000 -0.000 -0.000 3/39930 320.0 10.152 10.152 2.407 -0.000 -0.000 -0.000 3/39930 330.0 9.810 9.810 2.330 -0.000 -0.000 -0.000 3/39930 340.0 9.491 9.491 2.257 -0.000 -0.000 -0.000 3/39930 350.0 9.192 9.192 2.190 -0.000 -0.000 -0.000 3/39930 360.0 8.912 8.912 2.126 -0.000 -0.000 -0.000 3/39930 370.0 8.649 8.649 2.066 -0.000 -0.000 -0.000 3/39930 380.0 8.401 8.401 2.010 -0.000 -0.000 -0.000 3/39930 390.0 8.167 8.167 1.956 -0.000 -0.000 -0.000 3/39930 400.0 7.946 7.946 1.906 -0.000 -0.000 -0.000 3/39930 410.0 7.737 7.737 1.858 -0.000 -0.000 -0.000 3/39930 420.0 7.539 7.539 1.812 -0.000 -0.000 -0.000 3/39930 430.0 7.351 7.351 1.769 -0.000 -0.000 -0.000 3/39930 440.0 7.173 7.173 1.727 -0.000 -0.000 -0.000 3/39930 450.0 7.003 7.003 1.688 -0.000 -0.000 -0.000 3/39930 460.0 6.841 6.841 1.650 -0.000 -0.000 -0.000 3/39930 470.0 6.686 6.686 1.615 -0.000 -0.000 -0.000 3/39930 480.0 6.539 6.539 1.580 -0.000 -0.000 -0.000 3/39930 490.0 6.398 6.398 1.547 -0.000 -0.000 -0.000 3/39930 500.0 6.263 6.263 1.516 -0.000 -0.000 -0.000 3/39930 510.0 6.133 6.133 1.485 -0.000 -0.000 -0.000 3/39930 520.0 6.009 6.009 1.456 -0.000 -0.000 -0.000 3/39930 530.0 5.890 5.890 1.428 -0.000 -0.000 -0.000 3/39930 540.0 5.776 5.776 1.401 -0.000 -0.000 -0.000 3/39930 550.0 5.666 5.666 1.376 -0.000 -0.000 -0.000 3/39930 560.0 5.560 5.560 1.351 -0.000 -0.000 -0.000 3/39930 570.0 5.459 5.459 1.327 -0.000 -0.000 -0.000 3/39930 580.0 5.361 5.361 1.303 -0.000 -0.000 -0.000 3/39930 590.0 5.266 5.266 1.281 -0.000 -0.000 -0.000 3/39930 600.0 5.175 5.175 1.259 -0.000 -0.000 -0.000 3/39930 610.0 5.087 5.087 1.239 -0.000 -0.000 -0.000 3/39930 620.0 5.002 5.002 1.218 -0.000 -0.000 -0.000 3/39930 630.0 4.920 4.920 1.199 -0.000 -0.000 -0.000 3/39930 640.0 4.840 4.840 1.180 -0.000 -0.000 -0.000 3/39930 650.0 4.763 4.763 1.162 -0.000 -0.000 -0.000 3/39930 660.0 4.689 4.689 1.144 -0.000 -0.000 -0.000 3/39930 670.0 4.616 4.616 1.127 -0.000 -0.000 -0.000 3/39930 680.0 4.546 4.546 1.110 -0.000 -0.000 -0.000 3/39930 690.0 4.479 4.479 1.094 -0.000 -0.000 -0.000 3/39930 700.0 4.413 4.413 1.078 -0.000 -0.000 -0.000 3/39930 710.0 4.349 4.349 1.063 -0.000 -0.000 -0.000 3/39930 720.0 4.287 4.287 1.048 -0.000 -0.000 -0.000 3/39930 730.0 4.227 4.227 1.033 -0.000 -0.000 -0.000 3/39930 740.0 4.168 4.168 1.019 -0.000 -0.000 -0.000 3/39930 750.0 4.111 4.111 1.005 -0.000 -0.000 -0.000 3/39930 760.0 4.055 4.055 0.992 -0.000 -0.000 -0.000 3/39930 770.0 4.002 4.002 0.979 -0.000 -0.000 -0.000 3/39930 780.0 3.949 3.949 0.966 -0.000 -0.000 -0.000 3/39930 790.0 3.898 3.898 0.954 -0.000 -0.000 -0.000 3/39930 800.0 3.848 3.848 0.942 -0.000 -0.000 -0.000 3/39930 810.0 3.800 3.800 0.930 -0.000 -0.000 -0.000 3/39930 820.0 3.752 3.752 0.919 -0.000 -0.000 -0.000 3/39930 830.0 3.706 3.706 0.908 -0.000 -0.000 -0.000 3/39930 840.0 3.661 3.661 0.897 -0.000 -0.000 -0.000 3/39930 850.0 3.617 3.617 0.886 -0.000 -0.000 -0.000 3/39930 860.0 3.574 3.574 0.876 -0.000 -0.000 -0.000 3/39930 870.0 3.532 3.532 0.866 -0.000 -0.000 -0.000 3/39930 880.0 3.491 3.491 0.856 -0.000 -0.000 -0.000 3/39930 890.0 3.452 3.452 0.846 -0.000 -0.000 -0.000 3/39930 900.0 3.413 3.413 0.837 -0.000 -0.000 -0.000 3/39930 910.0 3.374 3.374 0.828 -0.000 -0.000 -0.000 3/39930 920.0 3.337 3.337 0.819 -0.000 -0.000 -0.000 3/39930 930.0 3.301 3.301 0.810 -0.000 -0.000 -0.000 3/39930 940.0 3.265 3.265 0.801 -0.000 -0.000 -0.000 3/39930 950.0 3.230 3.230 0.793 -0.000 -0.000 -0.000 3/39930 960.0 3.196 3.196 0.784 -0.000 -0.000 -0.000 3/39930 970.0 3.162 3.162 0.776 -0.000 -0.000 -0.000 3/39930 980.0 3.130 3.130 0.768 -0.000 -0.000 -0.000 3/39930 990.0 3.098 3.098 0.761 -0.000 -0.000 -0.000 3/39930 1000.0 3.066 3.066 0.753 -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 20:16:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|