----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 05:07:04]------------------------- 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 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.467141450015757 -6.807607449999999 0.000000000000000 b 4.467141450015757 6.807607449999999 0.000000000000000 c -1.567014783825815 0.000000000000000 7.697044837940362 Atomic positions (fractional): *1 S 0.65491957254476 0.95001932955866 0.27649073593984 32.065 *2 S 0.40017184953810 0.40017184953810 0.17910196641033 32.065 3 S 0.59982815046190 0.59982815046190 0.82089803358967 32.065 4 S 0.34508042745523 0.04998067044134 0.72350926406016 32.065 5 S 0.04998067044134 0.34508042745524 0.72350926406016 32.065 6 S 0.95001932955866 0.65491957254477 0.27649073593984 32.065 *7 Rb 0.25580368113659 0.74419631886341 0.00000000000000 85.468 *8 Rb 0.32159354687321 0.67840645312679 0.50000000000000 85.468 *9 Rb 0.88786322935420 0.88786322935420 0.64594797825812 85.468 10 Rb 0.67840645312679 0.32159354687321 0.50000000000000 85.468 11 Rb 0.74419631886341 0.25580368113659 0.00000000000000 85.468 12 Rb 0.11213677064580 0.11213677064580 0.35405202174188 85.468 *13 In 0.32296829439001 0.32296829439001 0.85188608933512 114.818 14 In 0.67703170560999 0.67703170560999 0.14811391066488 114.818 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.934282900031514 0.000000000000000 0.000000000000000 b 0.000000000000000 13.615214899999998 0.000000000000000 c -1.567014783825815 0.000000000000000 7.697044837940362 Atomic positions (fractional): *1 S 0.80246945105171 0.14754987850695 0.27649073593984 32.065 > 1 *2 S 0.40017184953810 0.00000000000000 0.17910196641033 32.065 > 2 3 S 0.59982815046190 0.00000000000000 0.82089803358967 32.065 > 3 4 S 0.19753054894829 0.85245012149305 0.72350926406016 32.065 > 4 5 S 0.19753054894829 0.14754987850695 0.72350926406016 32.065 > 5 6 S 0.80246945105171 0.85245012149305 0.27649073593984 32.065 > 6 7 S 0.30246945105171 0.64754987850695 0.27649073593984 32.065 > 1 8 S 0.90017184953810 0.50000000000000 0.17910196641033 32.065 > 2 9 S 0.09982815046190 0.50000000000000 0.82089803358967 32.065 > 3 10 S 0.69753054894829 0.35245012149305 0.72350926406016 32.065 > 4 11 S 0.69753054894829 0.64754987850695 0.72350926406016 32.065 > 5 12 S 0.30246945105171 0.35245012149305 0.27649073593984 32.065 > 6 *13 Rb 0.50000000000000 0.24419631886341 0.00000000000000 85.468 > 7 *14 Rb 0.50000000000000 0.17840645312679 0.50000000000000 85.468 > 8 *15 Rb 0.88786322935420 0.00000000000000 0.64594797825812 85.468 > 9 16 Rb 0.50000000000000 0.82159354687321 0.50000000000000 85.468 > 10 17 Rb 0.50000000000000 0.75580368113659 0.00000000000000 85.468 > 11 18 Rb 0.11213677064580 0.00000000000000 0.35405202174188 85.468 > 12 19 Rb 0.00000000000000 0.74419631886341 0.00000000000000 85.468 > 7 20 Rb 0.00000000000000 0.67840645312679 0.50000000000000 85.468 > 8 21 Rb 0.38786322935420 0.50000000000000 0.64594797825812 85.468 > 9 22 Rb 0.00000000000000 0.32159354687321 0.50000000000000 85.468 > 10 23 Rb 0.00000000000000 0.25580368113659 0.00000000000000 85.468 > 11 24 Rb 0.61213677064580 0.50000000000000 0.35405202174188 85.468 > 12 *25 In 0.32296829439001 0.00000000000000 0.85188608933512 114.818 > 13 26 In 0.67703170560999 0.00000000000000 0.14811391066488 114.818 > 14 27 In 0.82296829439001 0.50000000000000 0.85188608933512 114.818 > 13 28 In 0.17703170560999 0.50000000000000 0.14811391066488 114.818 > 14 -------------------------------- super cell -------------------------------- Lattice vectors: a 17.868565800063028 0.000000000000000 0.000000000000000 b 0.000000000000000 13.615214899999998 0.000000000000000 c -3.134029567651630 0.000000000000000 15.394089675880725 Atomic positions (fractional): *1 S 0.40123472552586 0.14754987850695 0.13824536796992 32.065 > 1 2 S 0.90123472552586 0.14754987850695 0.13824536796992 32.065 > 1 3 S 0.40123472552586 0.14754987850695 0.63824536796992 32.065 > 1 4 S 0.90123472552586 0.14754987850695 0.63824536796992 32.065 > 1 *5 S 0.20008592476905 0.00000000000000 0.08955098320516 32.065 > 2 6 S 0.70008592476905 0.00000000000000 0.08955098320516 32.065 > 2 7 S 0.20008592476905 0.00000000000000 0.58955098320516 32.065 > 2 8 S 0.70008592476905 0.00000000000000 0.58955098320516 32.065 > 2 9 S 0.29991407523095 0.00000000000000 0.41044901679483 32.065 > 3 10 S 0.79991407523095 0.00000000000000 0.41044901679483 32.065 > 3 11 S 0.29991407523095 0.00000000000000 0.91044901679483 32.065 > 3 12 S 0.79991407523095 0.00000000000000 0.91044901679483 32.065 > 3 13 S 0.09876527447414 0.85245012149305 0.36175463203008 32.065 > 4 14 S 0.59876527447414 0.85245012149305 0.36175463203008 32.065 > 4 15 S 0.09876527447414 0.85245012149305 0.86175463203008 32.065 > 4 16 S 0.59876527447414 0.85245012149305 0.86175463203008 32.065 > 4 17 S 0.09876527447414 0.14754987850695 0.36175463203008 32.065 > 5 18 S 0.59876527447414 0.14754987850695 0.36175463203008 32.065 > 5 19 S 0.09876527447414 0.14754987850695 0.86175463203008 32.065 > 5 20 S 0.59876527447414 0.14754987850695 0.86175463203008 32.065 > 5 21 S 0.40123472552586 0.85245012149305 0.13824536796992 32.065 > 6 22 S 0.90123472552586 0.85245012149305 0.13824536796992 32.065 > 6 23 S 0.40123472552586 0.85245012149305 0.63824536796992 32.065 > 6 24 S 0.90123472552586 0.85245012149305 0.63824536796992 32.065 > 6 25 S 0.15123472552586 0.64754987850695 0.13824536796992 32.065 > 1 26 S 0.65123472552586 0.64754987850695 0.13824536796992 32.065 > 1 27 S 0.15123472552586 0.64754987850695 0.63824536796992 32.065 > 1 28 S 0.65123472552586 0.64754987850695 0.63824536796992 32.065 > 1 29 S 0.45008592476905 0.50000000000000 0.08955098320516 32.065 > 2 30 S 0.95008592476905 0.50000000000000 0.08955098320516 32.065 > 2 31 S 0.45008592476905 0.50000000000000 0.58955098320516 32.065 > 2 32 S 0.95008592476905 0.50000000000000 0.58955098320516 32.065 > 2 33 S 0.04991407523095 0.50000000000000 0.41044901679483 32.065 > 3 34 S 0.54991407523095 0.50000000000000 0.41044901679483 32.065 > 3 35 S 0.04991407523095 0.50000000000000 0.91044901679483 32.065 > 3 36 S 0.54991407523095 0.50000000000000 0.91044901679483 32.065 > 3 37 S 0.34876527447414 0.35245012149305 0.36175463203008 32.065 > 4 38 S 0.84876527447414 0.35245012149305 0.36175463203008 32.065 > 4 39 S 0.34876527447414 0.35245012149305 0.86175463203008 32.065 > 4 40 S 0.84876527447414 0.35245012149305 0.86175463203008 32.065 > 4 41 S 0.34876527447414 0.64754987850695 0.36175463203008 32.065 > 5 42 S 0.84876527447414 0.64754987850695 0.36175463203008 32.065 > 5 43 S 0.34876527447414 0.64754987850695 0.86175463203008 32.065 > 5 44 S 0.84876527447414 0.64754987850695 0.86175463203008 32.065 > 5 45 S 0.15123472552586 0.35245012149305 0.13824536796992 32.065 > 6 46 S 0.65123472552586 0.35245012149305 0.13824536796992 32.065 > 6 47 S 0.15123472552586 0.35245012149305 0.63824536796992 32.065 > 6 48 S 0.65123472552586 0.35245012149305 0.63824536796992 32.065 > 6 *49 Rb 0.25000000000000 0.24419631886341 0.00000000000000 85.468 > 7 50 Rb 0.75000000000000 0.24419631886341 0.00000000000000 85.468 > 7 51 Rb 0.25000000000000 0.24419631886341 0.50000000000000 85.468 > 7 52 Rb 0.75000000000000 0.24419631886341 0.50000000000000 85.468 > 7 *53 Rb 0.25000000000000 0.17840645312679 0.25000000000000 85.468 > 8 54 Rb 0.75000000000000 0.17840645312679 0.25000000000000 85.468 > 8 55 Rb 0.25000000000000 0.17840645312679 0.75000000000000 85.468 > 8 56 Rb 0.75000000000000 0.17840645312679 0.75000000000000 85.468 > 8 *57 Rb 0.44393161467710 0.00000000000000 0.32297398912906 85.468 > 9 58 Rb 0.94393161467710 0.00000000000000 0.32297398912906 85.468 > 9 59 Rb 0.44393161467710 0.00000000000000 0.82297398912906 85.468 > 9 60 Rb 0.94393161467710 0.00000000000000 0.82297398912906 85.468 > 9 61 Rb 0.25000000000000 0.82159354687321 0.25000000000000 85.468 > 10 62 Rb 0.75000000000000 0.82159354687321 0.25000000000000 85.468 > 10 63 Rb 0.25000000000000 0.82159354687321 0.75000000000000 85.468 > 10 64 Rb 0.75000000000000 0.82159354687321 0.75000000000000 85.468 > 10 65 Rb 0.25000000000000 0.75580368113659 0.00000000000000 85.468 > 11 66 Rb 0.75000000000000 0.75580368113659 0.00000000000000 85.468 > 11 67 Rb 0.25000000000000 0.75580368113659 0.50000000000000 85.468 > 11 68 Rb 0.75000000000000 0.75580368113659 0.50000000000000 85.468 > 11 69 Rb 0.05606838532290 0.00000000000000 0.17702601087094 85.468 > 12 70 Rb 0.55606838532290 0.00000000000000 0.17702601087094 85.468 > 12 71 Rb 0.05606838532290 0.00000000000000 0.67702601087094 85.468 > 12 72 Rb 0.55606838532290 0.00000000000000 0.67702601087094 85.468 > 12 73 Rb 0.00000000000000 0.74419631886341 0.00000000000000 85.468 > 7 74 Rb 0.50000000000000 0.74419631886341 0.00000000000000 85.468 > 7 75 Rb 0.00000000000000 0.74419631886341 0.50000000000000 85.468 > 7 76 Rb 0.50000000000000 0.74419631886341 0.50000000000000 85.468 > 7 77 Rb 0.00000000000000 0.67840645312679 0.25000000000000 85.468 > 8 78 Rb 0.50000000000000 0.67840645312679 0.25000000000000 85.468 > 8 79 Rb 0.00000000000000 0.67840645312679 0.75000000000000 85.468 > 8 80 Rb 0.50000000000000 0.67840645312679 0.75000000000000 85.468 > 8 81 Rb 0.19393161467710 0.50000000000000 0.32297398912906 85.468 > 9 82 Rb 0.69393161467710 0.50000000000000 0.32297398912906 85.468 > 9 83 Rb 0.19393161467710 0.50000000000000 0.82297398912906 85.468 > 9 84 Rb 0.69393161467710 0.50000000000000 0.82297398912906 85.468 > 9 85 Rb 0.00000000000000 0.32159354687321 0.25000000000000 85.468 > 10 86 Rb 0.50000000000000 0.32159354687321 0.25000000000000 85.468 > 10 87 Rb 0.00000000000000 0.32159354687321 0.75000000000000 85.468 > 10 88 Rb 0.50000000000000 0.32159354687321 0.75000000000000 85.468 > 10 89 Rb 0.00000000000000 0.25580368113659 0.00000000000000 85.468 > 11 90 Rb 0.50000000000000 0.25580368113659 0.00000000000000 85.468 > 11 91 Rb 0.00000000000000 0.25580368113659 0.50000000000000 85.468 > 11 92 Rb 0.50000000000000 0.25580368113659 0.50000000000000 85.468 > 11 93 Rb 0.30606838532290 0.50000000000000 0.17702601087094 85.468 > 12 94 Rb 0.80606838532290 0.50000000000000 0.17702601087094 85.468 > 12 95 Rb 0.30606838532290 0.50000000000000 0.67702601087094 85.468 > 12 96 Rb 0.80606838532290 0.50000000000000 0.67702601087094 85.468 > 12 *97 In 0.16148414719501 0.00000000000000 0.42594304466756 114.818 > 13 98 In 0.66148414719501 0.00000000000000 0.42594304466756 114.818 > 13 99 In 0.16148414719501 0.00000000000000 0.92594304466756 114.818 > 13 100 In 0.66148414719501 0.00000000000000 0.92594304466756 114.818 > 13 101 In 0.33851585280499 0.00000000000000 0.07405695533244 114.818 > 14 102 In 0.83851585280499 0.00000000000000 0.07405695533244 114.818 > 14 103 In 0.33851585280499 0.00000000000000 0.57405695533244 114.818 > 14 104 In 0.83851585280499 0.00000000000000 0.57405695533244 114.818 > 14 105 In 0.41148414719501 0.50000000000000 0.42594304466756 114.818 > 13 106 In 0.91148414719501 0.50000000000000 0.42594304466756 114.818 > 13 107 In 0.41148414719501 0.50000000000000 0.92594304466756 114.818 > 13 108 In 0.91148414719501 0.50000000000000 0.92594304466756 114.818 > 13 109 In 0.08851585280499 0.50000000000000 0.07405695533244 114.818 > 14 110 In 0.58851585280499 0.50000000000000 0.07405695533244 114.818 > 14 111 In 0.08851585280499 0.50000000000000 0.57405695533244 114.818 > 14 112 In 0.58851585280499 0.50000000000000 0.57405695533244 114.818 > 14 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.6452190 0.0000000 0.2770556 0.0000000 3.6772104 0.0000000 0.2770492 0.0000000 3.6712659 -------------------------- Born effective charges -------------------------- 1 S -1.7846686 -0.3884561 -0.3465650 -0.3167827 -2.1875539 -0.2602187 -0.3203833 -0.3094834 -1.6659893 2 S -2.1569745 0.0000000 -0.0860978 0.0000000 -1.3380913 0.0000000 -0.1581848 0.0000000 -2.3126327 3 S -2.1569745 0.0000000 -0.0860978 0.0000000 -1.3380913 0.0000000 -0.1581848 0.0000000 -2.3126327 4 S -1.7846686 -0.3884561 -0.3465650 -0.3167827 -2.1875539 -0.2602187 -0.3203833 -0.3094834 -1.6659893 5 S -1.7846686 0.3884561 -0.3465650 0.3167827 -2.1875539 0.2602187 -0.3203833 0.3094834 -1.6659893 6 S -1.7846686 0.3884561 -0.3465650 0.3167827 -2.1875539 0.2602187 -0.3203833 0.3094834 -1.6659893 7 Rb 1.1753353 0.0000000 -0.0726375 0.0000000 1.2169213 0.0000000 0.0104402 0.0000000 0.9836688 8 Rb 1.0861665 0.0000000 -0.0226966 0.0000000 1.3141726 0.0000000 -0.0544474 0.0000000 1.3478305 9 Rb 1.3712630 0.0000000 0.0448223 0.0000000 0.9359858 0.0000000 0.0048195 0.0000000 1.1685686 10 Rb 1.0861665 0.0000000 -0.0226966 0.0000000 1.3141726 0.0000000 -0.0544474 0.0000000 1.3478305 11 Rb 1.1753353 0.0000000 -0.0726375 0.0000000 1.2169213 0.0000000 0.0104402 0.0000000 0.9836688 12 Rb 1.3712630 0.0000000 0.0448223 0.0000000 0.9359858 0.0000000 0.0048195 0.0000000 1.1685686 13 In 2.0935469 0.0000000 0.8297394 0.0000000 2.2461193 0.0000000 0.8381391 0.0000000 2.1445435 14 In 2.0935469 0.0000000 0.8297394 0.0000000 2.2461193 0.0000000 0.8381391 0.0000000 2.1445435 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 336/336 Permutation basis: 8592/8592 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1930 Number of blocks in projector: 1930 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 472 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 312 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 312 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 278 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 278 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 278 Use standard eigh solver. Tree of FC basis block matrices: - (1930, 1897), data: False |-- (278, 272), data: True |-- (278, 272), data: True |-- (278, 272), data: True |-- (312, 310), data: True |-- (312, 310), data: True |-- (472, 461), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.008 Solver_block: 100 / 480 - Time: 3.243 Solver_block: 200 / 480 - Time: 3.236 Solver_block: 300 / 480 - Time: 3.197 Solver_block: 400 / 480 - Time: 3.153 Solver_block: 480 / 480 - Time: 2.529 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 15.477 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 336/336 Permutation basis: 8592/8592 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1930 Number of blocks in projector: 1930 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 472 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 312 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 312 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 278 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 278 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 278 Use standard eigh solver. Tree of FC basis block matrices: - (1930, 1897), data: False |-- (278, 272), data: True |-- (278, 272), data: True |-- (278, 272), data: True |-- (312, 310), data: True |-- (312, 310), data: True |-- (472, 461), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 05:07:48]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:07:48]------------------------- 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 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.467141450015757 -6.807607449999999 0.000000000000000 b 4.467141450015757 6.807607449999999 0.000000000000000 c -1.567014783825815 0.000000000000000 7.697044837940362 Atomic positions (fractional): 1 S 0.65491957254476 0.95001932955866 0.27649073593984 32.065 2 S 0.40017184953810 0.40017184953810 0.17910196641033 32.065 3 S 0.59982815046190 0.59982815046190 0.82089803358967 32.065 4 S 0.34508042745523 0.04998067044134 0.72350926406016 32.065 5 S 0.04998067044134 0.34508042745524 0.72350926406016 32.065 6 S 0.95001932955866 0.65491957254477 0.27649073593984 32.065 7 Rb 0.25580368113659 0.74419631886341 0.00000000000000 85.468 8 Rb 0.32159354687321 0.67840645312679 0.50000000000000 85.468 9 Rb 0.88786322935420 0.88786322935420 0.64594797825812 85.468 10 Rb 0.67840645312679 0.32159354687321 0.50000000000000 85.468 11 Rb 0.74419631886341 0.25580368113659 0.00000000000000 85.468 12 Rb 0.11213677064580 0.11213677064580 0.35405202174188 85.468 13 In 0.32296829439001 0.32296829439001 0.85188608933512 114.818 14 In 0.67703170560999 0.67703170560999 0.14811391066488 114.818 -------------------------------- supercell --------------------------------- Lattice vectors: a 17.868565800063028 0.000000000000000 0.000000000000000 b 0.000000000000000 13.615214899999998 0.000000000000000 c -3.134029567651630 0.000000000000000 15.394089675880725 Atomic positions (fractional): 1 S 0.40123472552586 0.14754987850695 0.13824536796992 32.065 > 1 2 S 0.90123472552586 0.14754987850695 0.13824536796992 32.065 > 1 3 S 0.40123472552586 0.14754987850695 0.63824536796992 32.065 > 1 4 S 0.90123472552586 0.14754987850695 0.63824536796992 32.065 > 1 5 S 0.20008592476905 0.00000000000000 0.08955098320516 32.065 > 5 6 S 0.70008592476905 0.00000000000000 0.08955098320516 32.065 > 5 7 S 0.20008592476905 0.00000000000000 0.58955098320516 32.065 > 5 8 S 0.70008592476905 0.00000000000000 0.58955098320516 32.065 > 5 9 S 0.29991407523095 0.00000000000000 0.41044901679483 32.065 > 9 10 S 0.79991407523095 0.00000000000000 0.41044901679483 32.065 > 9 11 S 0.29991407523095 0.00000000000000 0.91044901679483 32.065 > 9 12 S 0.79991407523095 0.00000000000000 0.91044901679483 32.065 > 9 13 S 0.09876527447414 0.85245012149305 0.36175463203008 32.065 > 13 14 S 0.59876527447414 0.85245012149305 0.36175463203008 32.065 > 13 15 S 0.09876527447414 0.85245012149305 0.86175463203008 32.065 > 13 16 S 0.59876527447414 0.85245012149305 0.86175463203008 32.065 > 13 17 S 0.09876527447414 0.14754987850695 0.36175463203008 32.065 > 17 18 S 0.59876527447414 0.14754987850695 0.36175463203008 32.065 > 17 19 S 0.09876527447414 0.14754987850695 0.86175463203008 32.065 > 17 20 S 0.59876527447414 0.14754987850695 0.86175463203008 32.065 > 17 21 S 0.40123472552586 0.85245012149305 0.13824536796992 32.065 > 21 22 S 0.90123472552586 0.85245012149305 0.13824536796992 32.065 > 21 23 S 0.40123472552586 0.85245012149305 0.63824536796992 32.065 > 21 24 S 0.90123472552586 0.85245012149305 0.63824536796992 32.065 > 21 25 S 0.15123472552586 0.64754987850695 0.13824536796992 32.065 > 1 26 S 0.65123472552586 0.64754987850695 0.13824536796992 32.065 > 1 27 S 0.15123472552586 0.64754987850695 0.63824536796992 32.065 > 1 28 S 0.65123472552586 0.64754987850695 0.63824536796992 32.065 > 1 29 S 0.45008592476905 0.50000000000000 0.08955098320516 32.065 > 5 30 S 0.95008592476905 0.50000000000000 0.08955098320516 32.065 > 5 31 S 0.45008592476905 0.50000000000000 0.58955098320516 32.065 > 5 32 S 0.95008592476905 0.50000000000000 0.58955098320516 32.065 > 5 33 S 0.04991407523095 0.50000000000000 0.41044901679483 32.065 > 9 34 S 0.54991407523095 0.50000000000000 0.41044901679483 32.065 > 9 35 S 0.04991407523095 0.50000000000000 0.91044901679483 32.065 > 9 36 S 0.54991407523095 0.50000000000000 0.91044901679483 32.065 > 9 37 S 0.34876527447414 0.35245012149305 0.36175463203008 32.065 > 13 38 S 0.84876527447414 0.35245012149305 0.36175463203008 32.065 > 13 39 S 0.34876527447414 0.35245012149305 0.86175463203008 32.065 > 13 40 S 0.84876527447414 0.35245012149305 0.86175463203008 32.065 > 13 41 S 0.34876527447414 0.64754987850695 0.36175463203008 32.065 > 17 42 S 0.84876527447414 0.64754987850695 0.36175463203008 32.065 > 17 43 S 0.34876527447414 0.64754987850695 0.86175463203008 32.065 > 17 44 S 0.84876527447414 0.64754987850695 0.86175463203008 32.065 > 17 45 S 0.15123472552586 0.35245012149305 0.13824536796992 32.065 > 21 46 S 0.65123472552586 0.35245012149305 0.13824536796992 32.065 > 21 47 S 0.15123472552586 0.35245012149305 0.63824536796992 32.065 > 21 48 S 0.65123472552586 0.35245012149305 0.63824536796992 32.065 > 21 49 Rb 0.25000000000000 0.24419631886341 0.00000000000000 85.468 > 49 50 Rb 0.75000000000000 0.24419631886341 0.00000000000000 85.468 > 49 51 Rb 0.25000000000000 0.24419631886341 0.50000000000000 85.468 > 49 52 Rb 0.75000000000000 0.24419631886341 0.50000000000000 85.468 > 49 53 Rb 0.25000000000000 0.17840645312679 0.25000000000000 85.468 > 53 54 Rb 0.75000000000000 0.17840645312679 0.25000000000000 85.468 > 53 55 Rb 0.25000000000000 0.17840645312679 0.75000000000000 85.468 > 53 56 Rb 0.75000000000000 0.17840645312679 0.75000000000000 85.468 > 53 57 Rb 0.44393161467710 0.00000000000000 0.32297398912906 85.468 > 57 58 Rb 0.94393161467710 0.00000000000000 0.32297398912906 85.468 > 57 59 Rb 0.44393161467710 0.00000000000000 0.82297398912906 85.468 > 57 60 Rb 0.94393161467710 0.00000000000000 0.82297398912906 85.468 > 57 61 Rb 0.25000000000000 0.82159354687321 0.25000000000000 85.468 > 61 62 Rb 0.75000000000000 0.82159354687321 0.25000000000000 85.468 > 61 63 Rb 0.25000000000000 0.82159354687321 0.75000000000000 85.468 > 61 64 Rb 0.75000000000000 0.82159354687321 0.75000000000000 85.468 > 61 65 Rb 0.25000000000000 0.75580368113659 0.00000000000000 85.468 > 65 66 Rb 0.75000000000000 0.75580368113659 0.00000000000000 85.468 > 65 67 Rb 0.25000000000000 0.75580368113659 0.50000000000000 85.468 > 65 68 Rb 0.75000000000000 0.75580368113659 0.50000000000000 85.468 > 65 69 Rb 0.05606838532290 0.00000000000000 0.17702601087094 85.468 > 69 70 Rb 0.55606838532290 0.00000000000000 0.17702601087094 85.468 > 69 71 Rb 0.05606838532290 0.00000000000000 0.67702601087094 85.468 > 69 72 Rb 0.55606838532290 0.00000000000000 0.67702601087094 85.468 > 69 73 Rb 0.00000000000000 0.74419631886341 0.00000000000000 85.468 > 49 74 Rb 0.50000000000000 0.74419631886341 0.00000000000000 85.468 > 49 75 Rb 0.00000000000000 0.74419631886341 0.50000000000000 85.468 > 49 76 Rb 0.50000000000000 0.74419631886341 0.50000000000000 85.468 > 49 77 Rb 0.00000000000000 0.67840645312679 0.25000000000000 85.468 > 53 78 Rb 0.50000000000000 0.67840645312679 0.25000000000000 85.468 > 53 79 Rb 0.00000000000000 0.67840645312679 0.75000000000000 85.468 > 53 80 Rb 0.50000000000000 0.67840645312679 0.75000000000000 85.468 > 53 81 Rb 0.19393161467710 0.50000000000000 0.32297398912906 85.468 > 57 82 Rb 0.69393161467710 0.50000000000000 0.32297398912906 85.468 > 57 83 Rb 0.19393161467710 0.50000000000000 0.82297398912906 85.468 > 57 84 Rb 0.69393161467710 0.50000000000000 0.82297398912906 85.468 > 57 85 Rb 0.00000000000000 0.32159354687321 0.25000000000000 85.468 > 61 86 Rb 0.50000000000000 0.32159354687321 0.25000000000000 85.468 > 61 87 Rb 0.00000000000000 0.32159354687321 0.75000000000000 85.468 > 61 88 Rb 0.50000000000000 0.32159354687321 0.75000000000000 85.468 > 61 89 Rb 0.00000000000000 0.25580368113659 0.00000000000000 85.468 > 65 90 Rb 0.50000000000000 0.25580368113659 0.00000000000000 85.468 > 65 91 Rb 0.00000000000000 0.25580368113659 0.50000000000000 85.468 > 65 92 Rb 0.50000000000000 0.25580368113659 0.50000000000000 85.468 > 65 93 Rb 0.30606838532290 0.50000000000000 0.17702601087094 85.468 > 69 94 Rb 0.80606838532290 0.50000000000000 0.17702601087094 85.468 > 69 95 Rb 0.30606838532290 0.50000000000000 0.67702601087094 85.468 > 69 96 Rb 0.80606838532290 0.50000000000000 0.67702601087094 85.468 > 69 97 In 0.16148414719501 0.00000000000000 0.42594304466756 114.818 > 97 98 In 0.66148414719501 0.00000000000000 0.42594304466756 114.818 > 97 99 In 0.16148414719501 0.00000000000000 0.92594304466756 114.818 > 97 100 In 0.66148414719501 0.00000000000000 0.92594304466756 114.818 > 97 101 In 0.33851585280499 0.00000000000000 0.07405695533244 114.818 > 101 102 In 0.83851585280499 0.00000000000000 0.07405695533244 114.818 > 101 103 In 0.33851585280499 0.00000000000000 0.57405695533244 114.818 > 101 104 In 0.83851585280499 0.00000000000000 0.57405695533244 114.818 > 101 105 In 0.41148414719501 0.50000000000000 0.42594304466756 114.818 > 97 106 In 0.91148414719501 0.50000000000000 0.42594304466756 114.818 > 97 107 In 0.41148414719501 0.50000000000000 0.92594304466756 114.818 > 97 108 In 0.91148414719501 0.50000000000000 0.92594304466756 114.818 > 97 109 In 0.08851585280499 0.50000000000000 0.07405695533244 114.818 > 101 110 In 0.58851585280499 0.50000000000000 0.07405695533244 114.818 > 101 111 In 0.08851585280499 0.50000000000000 0.57405695533244 114.818 > 101 112 In 0.58851585280499 0.50000000000000 0.57405695533244 114.818 > 101 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.6452190 0.0000000 0.2770556 0.0000000 3.6772104 0.0000000 0.2770492 0.0000000 3.6712659 -------------------------- Born effective charges -------------------------- 1 S -1.7846686 -0.3884561 -0.3465650 -0.3167827 -2.1875539 -0.2602187 -0.3203833 -0.3094834 -1.6659893 2 S -2.1569745 0.0000000 -0.0860978 0.0000000 -1.3380913 0.0000000 -0.1581848 0.0000000 -2.3126327 3 S -2.1569745 0.0000000 -0.0860978 0.0000000 -1.3380913 0.0000000 -0.1581848 0.0000000 -2.3126327 4 S -1.7846686 -0.3884561 -0.3465650 -0.3167827 -2.1875539 -0.2602187 -0.3203833 -0.3094834 -1.6659893 5 S -1.7846686 0.3884561 -0.3465650 0.3167827 -2.1875539 0.2602187 -0.3203833 0.3094834 -1.6659893 6 S -1.7846686 0.3884561 -0.3465650 0.3167827 -2.1875539 0.2602187 -0.3203833 0.3094834 -1.6659893 7 Rb 1.1753353 0.0000000 -0.0726375 0.0000000 1.2169213 0.0000000 0.0104402 0.0000000 0.9836688 8 Rb 1.0861665 0.0000000 -0.0226966 0.0000000 1.3141726 0.0000000 -0.0544474 0.0000000 1.3478305 9 Rb 1.3712630 0.0000000 0.0448223 0.0000000 0.9359858 0.0000000 0.0048195 0.0000000 1.1685686 10 Rb 1.0861665 0.0000000 -0.0226966 0.0000000 1.3141726 0.0000000 -0.0544474 0.0000000 1.3478305 11 Rb 1.1753353 0.0000000 -0.0726375 0.0000000 1.2169213 0.0000000 0.0104402 0.0000000 0.9836688 12 Rb 1.3712630 0.0000000 0.0448223 0.0000000 0.9359858 0.0000000 0.0048195 0.0000000 1.1685686 13 In 2.0935469 0.0000000 0.8297394 0.0000000 2.2461193 0.0000000 0.8381391 0.0000000 2.1445435 14 In 2.0935469 0.0000000 0.8297394 0.0000000 2.2461193 0.0000000 0.8381391 0.0000000 2.1445435 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0020 0.0000 0.0098] [ 0.0020 0.0000 -0.0098] Computing fc3[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0020 0.0000 0.0098] [ 0.0020 0.0000 -0.0098] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0020 0.0000 0.0098] [ 0.0020 0.0000 -0.0098] Computing fc3[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0020 0.0000 0.0098] [ 0.0020 0.0000 -0.0098] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0020 0.0000 0.0098] [ 0.0020 0.0000 -0.0098] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0020 0.0000 0.0098] [ 0.0020 0.0000 -0.0098] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xz) -0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:08:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:08:11]------------------------- 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 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.467141450015757 -6.807607449999999 0.000000000000000 b 4.467141450015757 6.807607449999999 0.000000000000000 c -1.567014783825815 0.000000000000000 7.697044837940362 Atomic positions (fractional): 1 S 0.65491957254476 0.95001932955866 0.27649073593984 32.065 2 S 0.40017184953810 0.40017184953810 0.17910196641033 32.065 3 S 0.59982815046190 0.59982815046190 0.82089803358967 32.065 4 S 0.34508042745523 0.04998067044134 0.72350926406016 32.065 5 S 0.04998067044134 0.34508042745524 0.72350926406016 32.065 6 S 0.95001932955866 0.65491957254477 0.27649073593984 32.065 7 Rb 0.25580368113659 0.74419631886341 0.00000000000000 85.468 8 Rb 0.32159354687321 0.67840645312679 0.50000000000000 85.468 9 Rb 0.88786322935420 0.88786322935420 0.64594797825812 85.468 10 Rb 0.67840645312679 0.32159354687321 0.50000000000000 85.468 11 Rb 0.74419631886341 0.25580368113659 0.00000000000000 85.468 12 Rb 0.11213677064580 0.11213677064580 0.35405202174188 85.468 13 In 0.32296829439001 0.32296829439001 0.85188608933512 114.818 14 In 0.67703170560999 0.67703170560999 0.14811391066488 114.818 -------------------------------- supercell --------------------------------- Lattice vectors: a 17.868565800063028 0.000000000000000 0.000000000000000 b 0.000000000000000 13.615214899999998 0.000000000000000 c -3.134029567651630 0.000000000000000 15.394089675880725 Atomic positions (fractional): 1 S 0.40123472552586 0.14754987850695 0.13824536796992 32.065 > 1 2 S 0.90123472552586 0.14754987850695 0.13824536796992 32.065 > 1 3 S 0.40123472552586 0.14754987850695 0.63824536796992 32.065 > 1 4 S 0.90123472552586 0.14754987850695 0.63824536796992 32.065 > 1 5 S 0.20008592476905 0.00000000000000 0.08955098320516 32.065 > 5 6 S 0.70008592476905 0.00000000000000 0.08955098320516 32.065 > 5 7 S 0.20008592476905 0.00000000000000 0.58955098320516 32.065 > 5 8 S 0.70008592476905 0.00000000000000 0.58955098320516 32.065 > 5 9 S 0.29991407523095 0.00000000000000 0.41044901679483 32.065 > 9 10 S 0.79991407523095 0.00000000000000 0.41044901679483 32.065 > 9 11 S 0.29991407523095 0.00000000000000 0.91044901679483 32.065 > 9 12 S 0.79991407523095 0.00000000000000 0.91044901679483 32.065 > 9 13 S 0.09876527447414 0.85245012149305 0.36175463203008 32.065 > 13 14 S 0.59876527447414 0.85245012149305 0.36175463203008 32.065 > 13 15 S 0.09876527447414 0.85245012149305 0.86175463203008 32.065 > 13 16 S 0.59876527447414 0.85245012149305 0.86175463203008 32.065 > 13 17 S 0.09876527447414 0.14754987850695 0.36175463203008 32.065 > 17 18 S 0.59876527447414 0.14754987850695 0.36175463203008 32.065 > 17 19 S 0.09876527447414 0.14754987850695 0.86175463203008 32.065 > 17 20 S 0.59876527447414 0.14754987850695 0.86175463203008 32.065 > 17 21 S 0.40123472552586 0.85245012149305 0.13824536796992 32.065 > 21 22 S 0.90123472552586 0.85245012149305 0.13824536796992 32.065 > 21 23 S 0.40123472552586 0.85245012149305 0.63824536796992 32.065 > 21 24 S 0.90123472552586 0.85245012149305 0.63824536796992 32.065 > 21 25 S 0.15123472552586 0.64754987850695 0.13824536796992 32.065 > 1 26 S 0.65123472552586 0.64754987850695 0.13824536796992 32.065 > 1 27 S 0.15123472552586 0.64754987850695 0.63824536796992 32.065 > 1 28 S 0.65123472552586 0.64754987850695 0.63824536796992 32.065 > 1 29 S 0.45008592476905 0.50000000000000 0.08955098320516 32.065 > 5 30 S 0.95008592476905 0.50000000000000 0.08955098320516 32.065 > 5 31 S 0.45008592476905 0.50000000000000 0.58955098320516 32.065 > 5 32 S 0.95008592476905 0.50000000000000 0.58955098320516 32.065 > 5 33 S 0.04991407523095 0.50000000000000 0.41044901679483 32.065 > 9 34 S 0.54991407523095 0.50000000000000 0.41044901679483 32.065 > 9 35 S 0.04991407523095 0.50000000000000 0.91044901679483 32.065 > 9 36 S 0.54991407523095 0.50000000000000 0.91044901679483 32.065 > 9 37 S 0.34876527447414 0.35245012149305 0.36175463203008 32.065 > 13 38 S 0.84876527447414 0.35245012149305 0.36175463203008 32.065 > 13 39 S 0.34876527447414 0.35245012149305 0.86175463203008 32.065 > 13 40 S 0.84876527447414 0.35245012149305 0.86175463203008 32.065 > 13 41 S 0.34876527447414 0.64754987850695 0.36175463203008 32.065 > 17 42 S 0.84876527447414 0.64754987850695 0.36175463203008 32.065 > 17 43 S 0.34876527447414 0.64754987850695 0.86175463203008 32.065 > 17 44 S 0.84876527447414 0.64754987850695 0.86175463203008 32.065 > 17 45 S 0.15123472552586 0.35245012149305 0.13824536796992 32.065 > 21 46 S 0.65123472552586 0.35245012149305 0.13824536796992 32.065 > 21 47 S 0.15123472552586 0.35245012149305 0.63824536796992 32.065 > 21 48 S 0.65123472552586 0.35245012149305 0.63824536796992 32.065 > 21 49 Rb 0.25000000000000 0.24419631886341 0.00000000000000 85.468 > 49 50 Rb 0.75000000000000 0.24419631886341 0.00000000000000 85.468 > 49 51 Rb 0.25000000000000 0.24419631886341 0.50000000000000 85.468 > 49 52 Rb 0.75000000000000 0.24419631886341 0.50000000000000 85.468 > 49 53 Rb 0.25000000000000 0.17840645312679 0.25000000000000 85.468 > 53 54 Rb 0.75000000000000 0.17840645312679 0.25000000000000 85.468 > 53 55 Rb 0.25000000000000 0.17840645312679 0.75000000000000 85.468 > 53 56 Rb 0.75000000000000 0.17840645312679 0.75000000000000 85.468 > 53 57 Rb 0.44393161467710 0.00000000000000 0.32297398912906 85.468 > 57 58 Rb 0.94393161467710 0.00000000000000 0.32297398912906 85.468 > 57 59 Rb 0.44393161467710 0.00000000000000 0.82297398912906 85.468 > 57 60 Rb 0.94393161467710 0.00000000000000 0.82297398912906 85.468 > 57 61 Rb 0.25000000000000 0.82159354687321 0.25000000000000 85.468 > 61 62 Rb 0.75000000000000 0.82159354687321 0.25000000000000 85.468 > 61 63 Rb 0.25000000000000 0.82159354687321 0.75000000000000 85.468 > 61 64 Rb 0.75000000000000 0.82159354687321 0.75000000000000 85.468 > 61 65 Rb 0.25000000000000 0.75580368113659 0.00000000000000 85.468 > 65 66 Rb 0.75000000000000 0.75580368113659 0.00000000000000 85.468 > 65 67 Rb 0.25000000000000 0.75580368113659 0.50000000000000 85.468 > 65 68 Rb 0.75000000000000 0.75580368113659 0.50000000000000 85.468 > 65 69 Rb 0.05606838532290 0.00000000000000 0.17702601087094 85.468 > 69 70 Rb 0.55606838532290 0.00000000000000 0.17702601087094 85.468 > 69 71 Rb 0.05606838532290 0.00000000000000 0.67702601087094 85.468 > 69 72 Rb 0.55606838532290 0.00000000000000 0.67702601087094 85.468 > 69 73 Rb 0.00000000000000 0.74419631886341 0.00000000000000 85.468 > 49 74 Rb 0.50000000000000 0.74419631886341 0.00000000000000 85.468 > 49 75 Rb 0.00000000000000 0.74419631886341 0.50000000000000 85.468 > 49 76 Rb 0.50000000000000 0.74419631886341 0.50000000000000 85.468 > 49 77 Rb 0.00000000000000 0.67840645312679 0.25000000000000 85.468 > 53 78 Rb 0.50000000000000 0.67840645312679 0.25000000000000 85.468 > 53 79 Rb 0.00000000000000 0.67840645312679 0.75000000000000 85.468 > 53 80 Rb 0.50000000000000 0.67840645312679 0.75000000000000 85.468 > 53 81 Rb 0.19393161467710 0.50000000000000 0.32297398912906 85.468 > 57 82 Rb 0.69393161467710 0.50000000000000 0.32297398912906 85.468 > 57 83 Rb 0.19393161467710 0.50000000000000 0.82297398912906 85.468 > 57 84 Rb 0.69393161467710 0.50000000000000 0.82297398912906 85.468 > 57 85 Rb 0.00000000000000 0.32159354687321 0.25000000000000 85.468 > 61 86 Rb 0.50000000000000 0.32159354687321 0.25000000000000 85.468 > 61 87 Rb 0.00000000000000 0.32159354687321 0.75000000000000 85.468 > 61 88 Rb 0.50000000000000 0.32159354687321 0.75000000000000 85.468 > 61 89 Rb 0.00000000000000 0.25580368113659 0.00000000000000 85.468 > 65 90 Rb 0.50000000000000 0.25580368113659 0.00000000000000 85.468 > 65 91 Rb 0.00000000000000 0.25580368113659 0.50000000000000 85.468 > 65 92 Rb 0.50000000000000 0.25580368113659 0.50000000000000 85.468 > 65 93 Rb 0.30606838532290 0.50000000000000 0.17702601087094 85.468 > 69 94 Rb 0.80606838532290 0.50000000000000 0.17702601087094 85.468 > 69 95 Rb 0.30606838532290 0.50000000000000 0.67702601087094 85.468 > 69 96 Rb 0.80606838532290 0.50000000000000 0.67702601087094 85.468 > 69 97 In 0.16148414719501 0.00000000000000 0.42594304466756 114.818 > 97 98 In 0.66148414719501 0.00000000000000 0.42594304466756 114.818 > 97 99 In 0.16148414719501 0.00000000000000 0.92594304466756 114.818 > 97 100 In 0.66148414719501 0.00000000000000 0.92594304466756 114.818 > 97 101 In 0.33851585280499 0.00000000000000 0.07405695533244 114.818 > 101 102 In 0.83851585280499 0.00000000000000 0.07405695533244 114.818 > 101 103 In 0.33851585280499 0.00000000000000 0.57405695533244 114.818 > 101 104 In 0.83851585280499 0.00000000000000 0.57405695533244 114.818 > 101 105 In 0.41148414719501 0.50000000000000 0.42594304466756 114.818 > 97 106 In 0.91148414719501 0.50000000000000 0.42594304466756 114.818 > 97 107 In 0.41148414719501 0.50000000000000 0.92594304466756 114.818 > 97 108 In 0.91148414719501 0.50000000000000 0.92594304466756 114.818 > 97 109 In 0.08851585280499 0.50000000000000 0.07405695533244 114.818 > 101 110 In 0.58851585280499 0.50000000000000 0.07405695533244 114.818 > 101 111 In 0.08851585280499 0.50000000000000 0.57405695533244 114.818 > 101 112 In 0.58851585280499 0.50000000000000 0.57405695533244 114.818 > 101 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.6452190 0.0000000 0.2770556 0.0000000 3.6772104 0.0000000 0.2770492 0.0000000 3.6712659 -------------------------- Born effective charges -------------------------- 1 S -1.7846686 -0.3884561 -0.3465650 -0.3167827 -2.1875539 -0.2602187 -0.3203833 -0.3094834 -1.6659893 2 S -2.1569745 0.0000000 -0.0860978 0.0000000 -1.3380913 0.0000000 -0.1581848 0.0000000 -2.3126327 3 S -2.1569745 0.0000000 -0.0860978 0.0000000 -1.3380913 0.0000000 -0.1581848 0.0000000 -2.3126327 4 S -1.7846686 -0.3884561 -0.3465650 -0.3167827 -2.1875539 -0.2602187 -0.3203833 -0.3094834 -1.6659893 5 S -1.7846686 0.3884561 -0.3465650 0.3167827 -2.1875539 0.2602187 -0.3203833 0.3094834 -1.6659893 6 S -1.7846686 0.3884561 -0.3465650 0.3167827 -2.1875539 0.2602187 -0.3203833 0.3094834 -1.6659893 7 Rb 1.1753353 0.0000000 -0.0726375 0.0000000 1.2169213 0.0000000 0.0104402 0.0000000 0.9836688 8 Rb 1.0861665 0.0000000 -0.0226966 0.0000000 1.3141726 0.0000000 -0.0544474 0.0000000 1.3478305 9 Rb 1.3712630 0.0000000 0.0448223 0.0000000 0.9359858 0.0000000 0.0048195 0.0000000 1.1685686 10 Rb 1.0861665 0.0000000 -0.0226966 0.0000000 1.3141726 0.0000000 -0.0544474 0.0000000 1.3478305 11 Rb 1.1753353 0.0000000 -0.0726375 0.0000000 1.2169213 0.0000000 0.0104402 0.0000000 0.9836688 12 Rb 1.3712630 0.0000000 0.0448223 0.0000000 0.9359858 0.0000000 0.0048195 0.0000000 1.1685686 13 In 2.0935469 0.0000000 0.8297394 0.0000000 2.2461193 0.0000000 0.8381391 0.0000000 2.1445435 14 In 2.0935469 0.0000000 0.8297394 0.0000000 2.2461193 0.0000000 0.8381391 0.0000000 2.1445435 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 7 6 ] 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: 0.53, Number of G-points: 299, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/88) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.178 ( 0.000 0.000 0.000) 0.000 1.309 ( 0.000 0.000 0.000) 0.000 1.524 ( 0.000 0.000 0.000) 0.000 1.547 ( 0.000 0.000 0.000) 0.000 1.566 ( 0.000 0.000 0.000) 0.000 1.640 ( 0.000 0.000 0.000) 0.000 1.675 ( 0.000 0.000 0.000) 0.000 1.724 ( 0.000 0.000 0.000) 0.000 1.848 ( 0.000 0.000 0.000) 0.000 1.873 ( 0.000 0.000 0.000) 0.000 2.042 ( 0.000 0.000 0.000) 0.000 2.193 ( 0.000 0.000 0.000) 0.000 2.232 ( 0.000 0.000 0.000) 0.000 2.279 ( 0.000 0.000 0.000) 0.000 2.283 ( 0.000 0.000 0.000) 0.000 2.571 ( 0.000 0.000 0.000) 0.000 2.631 ( 0.000 0.000 0.000) 0.000 2.715 ( 0.000 0.000 0.000) 0.000 2.921 ( 0.000 0.000 0.000) 0.000 3.145 ( 0.000 0.000 0.000) 0.000 3.244 ( 0.000 0.000 0.000) 0.000 3.270 ( 0.000 0.000 0.000) 0.000 3.465 ( 0.000 0.000 0.000) 0.000 3.551 ( 0.000 0.000 0.000) 0.000 3.798 ( 0.000 0.000 0.000) 0.000 3.945 ( 0.000 0.000 0.000) 0.000 4.056 ( 0.000 0.000 0.000) 0.000 4.068 ( 0.000 0.000 0.000) 0.000 4.420 ( 0.000 0.000 0.000) 0.000 4.581 ( 0.000 0.000 0.000) 0.000 4.991 ( 0.000 0.000 0.000) 0.000 7.234 ( 0.000 0.000 0.000) 0.000 7.699 ( 0.000 0.000 0.000) 0.000 8.183 ( 0.000 0.000 0.000) 0.000 9.133 ( 0.000 0.000 0.000) 0.000 9.464 ( 0.000 0.000 0.000) 0.000 9.538 ( 0.000 0.000 0.000) 0.000 9.627 ( 0.000 0.000 0.000) 0.000 9.833 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/88) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.312 ( 11.384 -10.930 3.012) 16.066 0.391 ( 17.797 -9.148 1.075) 20.040 0.633 ( 29.714 -10.429 7.252) 32.315 1.182 ( 0.658 -0.217 -0.281) 0.747 1.316 ( -0.520 -1.368 0.810) 1.673 1.498 ( -1.724 3.780 4.161) 5.880 1.568 ( 0.950 1.691 -1.962) 2.759 1.588 ( -1.406 -1.827 1.821) 2.938 1.668 ( 2.472 1.734 -4.285) 5.242 1.701 ( -0.340 0.548 0.673) 0.932 1.727 ( -1.757 -0.627 -4.238) 4.630 1.781 ( 2.462 -5.137 -4.060) 6.996 1.993 ( 3.189 0.882 4.917) 5.927 2.034 ( 0.101 -1.531 1.207) 1.952 2.197 ( 1.986 3.200 -1.416) 4.023 2.232 ( -0.459 1.140 2.512) 2.796 2.287 ( 0.148 -0.652 -2.616) 2.700 2.301 ( 0.418 -2.244 0.233) 2.294 2.525 ( -3.884 1.175 -1.789) 4.435 2.644 ( -10.349 -6.129 -6.802) 13.817 2.673 ( -3.777 4.260 0.040) 5.694 2.935 ( -2.226 -2.955 2.973) 4.746 3.101 ( -9.953 0.284 7.167) 12.269 3.272 ( -0.284 -0.077 1.098) 1.137 3.309 ( 6.409 0.128 -6.943) 9.450 3.465 ( -4.223 -3.410 -2.460) 5.959 3.567 ( 0.824 -1.159 -0.106) 1.426 3.828 ( 2.351 0.751 3.117) 3.976 3.984 ( 3.580 0.375 3.198) 4.815 4.036 ( -3.336 0.104 0.676) 3.405 4.106 ( 2.703 1.576 -10.026) 10.503 4.557 ( 3.790 3.860 2.137) 5.816 4.981 ( -0.858 -0.216 -2.625) 2.770 5.063 ( -0.581 3.097 6.359) 7.096 7.230 ( -0.365 0.345 0.420) 0.655 7.814 ( -1.703 3.844 16.452) 16.981 8.512 ( 17.395 21.615 -8.170) 28.923 9.139 ( 0.473 -0.203 0.373) 0.636 9.502 ( 0.710 2.960 1.777) 3.524 9.569 ( 4.762 3.814 3.282) 6.928 9.829 ( -1.308 -1.541 -1.351) 2.431 10.068 ( -17.855 -22.805 7.053) 29.809 ======================= Grid point 2 (3/88) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.603 ( 9.980 -9.255 3.608) 14.081 0.755 ( 16.012 -7.297 0.176) 17.597 1.119 ( 11.021 -1.792 3.078) 11.582 1.268 ( 7.932 -8.045 2.600) 11.593 1.302 ( -1.373 1.233 1.909) 2.655 1.394 ( -0.749 4.714 -0.376) 4.788 1.580 ( 4.634 1.981 0.127) 5.041 1.599 ( 0.617 -0.693 -0.803) 1.227 1.651 ( -3.385 0.771 -0.194) 3.477 1.704 ( 2.445 -0.596 -3.345) 4.186 1.731 ( 2.093 -0.320 1.496) 2.592 1.897 ( 2.504 -2.994 -1.127) 4.063 1.983 ( 0.338 -0.997 3.163) 3.334 2.110 ( 3.581 0.369 2.303) 4.274 2.183 ( 2.178 3.170 -1.765) 4.231 2.224 ( -2.557 -0.240 -0.015) 2.568 2.264 ( -1.390 0.974 -1.722) 2.418 2.345 ( 0.913 -3.584 0.473) 3.729 2.437 ( -4.883 0.437 -0.941) 4.992 2.455 ( -6.857 5.051 -5.300) 10.031 2.614 ( -2.410 -0.840 -4.132) 4.857 2.872 ( -11.826 0.461 2.809) 12.163 2.980 ( -4.481 -1.664 3.578) 5.970 3.244 ( -2.873 1.106 -0.539) 3.125 3.396 ( 5.993 0.113 -2.060) 6.338 3.439 ( -0.970 -1.571 -0.857) 2.036 3.592 ( 0.797 -1.057 -1.044) 1.686 3.825 ( -2.999 1.862 3.297) 4.830 4.003 ( -0.858 -0.691 1.801) 2.111 4.046 ( 2.883 0.769 3.335) 4.475 4.103 ( 1.589 0.874 -5.186) 5.494 4.613 ( 4.871 -0.367 2.312) 5.404 4.946 ( -2.012 0.450 -5.588) 5.956 5.035 ( -1.569 1.661 4.208) 4.789 7.220 ( -0.454 0.414 0.533) 0.813 7.798 ( -1.254 1.560 5.889) 6.220 8.542 ( 7.846 8.132 -3.178) 11.738 9.152 ( 0.559 -0.243 0.465) 0.767 9.492 ( -0.039 0.722 0.377) 0.816 9.622 ( 5.004 3.228 3.061) 6.696 9.814 ( -2.474 -2.569 -2.327) 4.258 10.040 ( -7.778 -8.178 2.858) 11.642 ======================= Grid point 3 (4/88) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.824 ( 5.586 -4.925 2.836) 7.969 1.039 ( 11.325 -4.475 -1.111) 12.228 1.157 ( -3.991 0.020 -2.160) 4.538 1.213 ( 1.330 2.270 1.017) 2.821 1.248 ( -6.964 3.299 0.791) 7.746 1.584 ( 1.637 0.726 1.134) 2.119 1.615 ( 1.313 -2.040 -0.225) 2.437 1.633 ( 2.396 -0.803 2.050) 3.254 1.653 ( 4.542 0.757 -0.470) 4.629 1.741 ( 2.677 -2.654 0.423) 3.793 1.847 ( 8.899 -5.491 2.086) 10.663 1.863 ( -3.815 1.418 1.469) 4.328 2.060 ( -6.009 6.569 -4.745) 10.088 2.072 ( 3.488 -1.041 0.314) 3.654 2.168 ( 0.898 0.593 0.659) 1.262 2.195 ( 0.585 -0.239 -1.316) 1.460 2.246 ( -0.522 -0.100 -0.021) 0.532 2.350 ( -0.855 1.200 -1.744) 2.283 2.366 ( -2.529 0.411 -0.163) 2.567 2.414 ( 2.424 -3.401 0.010) 4.177 2.585 ( -0.342 0.496 -1.315) 1.446 2.640 ( -12.611 1.975 1.323) 12.833 2.978 ( -0.372 -1.323 1.334) 1.915 3.177 ( -2.204 1.346 -0.996) 2.768 3.432 ( 0.060 -0.383 0.143) 0.414 3.491 ( 3.960 -0.356 -0.733) 4.043 3.601 ( -0.174 -0.294 -0.867) 0.932 3.756 ( -3.174 0.769 1.668) 3.666 4.009 ( -0.038 -0.223 0.912) 0.940 4.082 ( 1.256 0.523 2.630) 2.961 4.101 ( 0.357 0.162 -2.953) 2.979 4.725 ( 5.690 -1.612 3.745) 7.000 4.865 ( -4.281 1.424 -5.296) 6.957 5.016 ( -0.641 0.415 1.632) 1.802 7.213 ( -0.202 0.179 0.240) 0.362 7.784 ( -0.495 0.466 1.588) 1.727 8.564 ( 2.505 2.300 -0.922) 3.524 9.162 ( 0.238 -0.106 0.208) 0.333 9.488 ( -0.043 0.177 0.079) 0.199 9.671 ( 2.930 1.869 1.812) 3.919 9.792 ( -1.985 -1.799 -1.666) 3.154 10.017 ( -2.432 -2.195 0.865) 3.389 ======================= Grid point 8 (5/88) ======================= q-point: ( 0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.505 ( 13.394 -0.000 10.889) 17.261 0.648 ( 18.550 -0.000 3.285) 18.839 1.101 ( 28.187 -0.000 4.724) 28.580 1.170 ( -0.974 0.000 -0.279) 1.013 1.309 ( -0.572 0.000 3.160) 3.212 1.487 ( -6.582 0.000 -3.549) 7.478 1.568 ( 1.621 -0.000 4.040) 4.353 1.621 ( 2.905 -0.000 -1.732) 3.382 1.668 ( 0.450 -0.000 -2.243) 2.287 1.684 ( -1.212 0.000 -0.618) 1.361 1.704 ( 0.937 -0.000 3.213) 3.347 1.856 ( 7.803 -0.000 -5.425) 9.504 1.977 ( -1.630 0.000 4.380) 4.674 2.110 ( 4.576 -0.000 2.696) 5.311 2.220 ( -1.379 0.000 -0.697) 1.545 2.239 ( 1.464 -0.000 -2.421) 2.830 2.278 ( -0.698 0.000 -0.050) 0.700 2.291 ( 0.312 -0.000 -0.656) 0.726 2.433 ( -6.380 0.000 -2.602) 6.890 2.516 ( -3.482 0.000 -7.684) 8.437 2.602 ( -6.578 0.000 -1.264) 6.698 2.898 ( -1.512 0.000 1.768) 2.326 2.936 ( -12.097 0.000 4.816) 13.020 3.253 ( -2.456 0.000 0.443) 2.495 3.397 ( 6.264 -0.000 -2.820) 6.869 3.415 ( -0.298 0.000 -0.324) 0.440 3.578 ( 1.282 -0.000 -0.973) 1.609 3.844 ( -3.958 0.000 2.988) 4.959 3.993 ( -0.886 0.000 2.183) 2.356 4.055 ( 2.796 -0.000 3.252) 4.289 4.120 ( 1.943 -0.000 -6.191) 6.489 4.607 ( 2.936 -0.000 0.566) 2.990 4.947 ( -1.695 0.000 -5.244) 5.511 5.066 ( -2.680 0.000 4.599) 5.323 7.226 ( -0.466 0.000 -0.003) 0.466 7.819 ( -3.086 0.000 8.231) 8.790 8.686 ( 0.484 -0.000 -7.844) 7.859 9.149 ( 0.689 -0.000 0.316) 0.758 9.503 ( -1.098 0.000 -0.260) 1.128 9.737 ( -3.906 0.000 1.182) 4.081 9.739 ( 5.666 -0.000 0.469) 5.686 9.872 ( -0.419 0.000 9.243) 9.253 ======================= Grid point 9 (6/88) ======================= q-point: ( 0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.742 ( 9.468 -2.079 9.217) 13.376 0.951 ( 14.979 -3.027 1.575) 15.363 1.161 ( 0.359 0.332 1.084) 1.189 1.286 ( -2.746 2.706 3.229) 5.028 1.337 ( -3.627 4.846 -2.284) 6.469 1.512 ( 10.301 -6.306 3.187) 12.491 1.575 ( -0.600 -2.019 2.979) 3.648 1.610 ( -0.928 1.363 0.194) 1.660 1.670 ( -0.568 -1.211 -0.186) 1.350 1.706 ( 2.934 1.634 0.625) 3.416 1.778 ( 3.775 -2.746 1.019) 4.778 1.896 ( -1.391 0.869 1.834) 2.460 2.034 ( 4.995 -0.864 -0.456) 5.089 2.143 ( -1.291 1.087 -1.982) 2.603 2.188 ( -0.271 1.099 -1.239) 1.679 2.230 ( 0.959 2.057 -0.790) 2.403 2.251 ( -1.180 0.424 -0.493) 1.347 2.340 ( -4.367 -1.708 -0.786) 4.755 2.346 ( 4.663 -2.220 -1.871) 5.493 2.423 ( -1.877 4.255 -5.202) 6.978 2.535 ( -3.355 -3.547 -1.800) 5.203 2.736 ( -8.696 4.917 0.883) 10.029 2.912 ( -1.133 -3.957 1.560) 4.401 3.201 ( -3.211 0.634 -0.030) 3.273 3.427 ( 1.012 -0.108 1.399) 1.730 3.482 ( 4.251 -0.352 -1.405) 4.491 3.594 ( 0.961 -0.221 -2.054) 2.279 3.754 ( -6.156 -0.432 1.389) 6.326 4.005 ( 0.507 -0.059 1.468) 1.554 4.082 ( -0.332 -0.283 0.861) 0.965 4.129 ( 1.581 1.508 -1.432) 2.612 4.691 ( 5.919 -1.187 2.460) 6.519 4.880 ( -4.233 0.193 -7.907) 8.971 5.036 ( -1.881 0.904 4.766) 5.203 7.217 ( -0.417 0.169 -0.141) 0.471 7.795 ( -1.926 0.357 3.867) 4.334 8.633 ( -1.732 2.929 -3.574) 4.935 9.160 ( 0.462 -0.049 0.055) 0.468 9.488 ( -0.578 -0.082 -0.365) 0.689 9.676 ( -3.479 -0.772 -1.195) 3.759 9.814 ( 5.230 3.387 1.868) 6.505 9.936 ( 0.847 -4.770 4.439) 6.571 ======================= Grid point 10 (7/88) ======================= q-point: ( 0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.874 ( 1.308 -1.098 4.679) 4.980 1.142 ( -5.977 5.674 3.924) 9.128 1.177 ( 4.294 0.987 1.045) 4.528 1.187 ( 2.065 0.024 -0.571) 2.143 1.250 ( 2.426 3.838 0.271) 4.549 1.536 ( -4.789 -6.175 -0.349) 7.822 1.579 ( -1.368 0.127 -0.155) 1.383 1.644 ( -5.376 0.235 3.382) 6.356 1.660 ( -2.323 -0.519 0.658) 2.470 1.787 ( 0.973 1.346 2.542) 3.036 1.848 ( 1.108 -0.091 0.531) 1.232 1.872 ( 5.145 -6.499 5.375) 9.879 2.002 ( -7.645 3.745 -6.135) 10.493 2.081 ( -2.395 0.536 -2.205) 3.299 2.171 ( -1.016 1.268 -0.993) 1.904 2.242 ( -0.213 1.306 2.139) 2.515 2.254 ( 3.789 2.437 -1.203) 4.663 2.318 ( 0.003 -3.397 -2.215) 4.055 2.361 ( -0.145 1.856 -0.787) 2.021 2.475 ( 4.052 1.851 -1.749) 4.785 2.520 ( 1.191 -3.524 -0.870) 3.820 2.662 ( 8.058 2.052 -0.669) 8.342 2.951 ( 0.213 -3.474 0.001) 3.481 3.162 ( -0.523 0.001 1.305) 1.406 3.444 ( 0.510 0.760 1.255) 1.553 3.492 ( -3.557 -0.295 1.032) 3.715 3.602 ( 0.866 -0.166 -1.870) 2.068 3.722 ( 0.903 -1.953 -1.695) 2.739 4.011 ( 0.107 0.157 -0.228) 0.296 4.066 ( -1.949 -1.052 -2.028) 3.002 4.126 ( 0.073 2.023 2.167) 2.965 4.751 ( -5.736 0.863 -5.806) 8.207 4.824 ( 4.738 -2.044 2.171) 5.598 5.023 ( -0.245 0.769 2.954) 3.062 7.211 ( -0.009 0.025 -0.485) 0.485 7.778 ( -0.930 -0.109 1.038) 1.398 8.552 ( -5.162 0.679 -1.259) 5.357 9.163 ( 0.005 0.051 -0.283) 0.287 9.482 ( -0.323 -0.289 -0.403) 0.592 9.622 ( -4.323 -2.130 -2.506) 5.432 9.861 ( 4.368 4.152 3.135) 6.793 10.020 ( 4.259 -1.840 1.520) 4.882 ======================= Grid point 11 (8/88) ======================= q-point: (-0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.830 ( -3.033 8.584 1.562) 9.237 0.895 ( -14.912 7.217 4.749) 17.234 1.121 ( -5.113 -2.230 -2.651) 6.176 1.277 ( 2.821 2.506 3.626) 5.233 1.341 ( 7.141 0.315 -0.428) 7.161 1.467 ( -8.180 4.036 -4.833) 10.323 1.502 ( -7.539 -4.473 5.552) 10.376 1.610 ( -2.126 0.062 -1.490) 2.597 1.649 ( 1.243 0.017 -0.229) 1.264 1.710 ( -3.577 1.903 1.420) 4.294 1.769 ( -3.679 4.584 -1.364) 6.034 1.906 ( 2.833 -1.447 -0.356) 3.201 2.006 ( -4.542 -0.226 -2.923) 5.406 2.078 ( -0.749 -2.829 -0.335) 2.946 2.164 ( 0.288 -0.616 2.168) 2.272 2.205 ( 2.259 0.185 3.104) 3.844 2.264 ( 0.484 1.372 -2.632) 3.008 2.377 ( 2.303 -1.509 2.086) 3.454 2.383 ( 2.453 -2.375 0.103) 3.416 2.434 ( 0.396 2.447 -1.568) 2.933 2.611 ( 4.104 -1.523 2.397) 4.991 2.879 ( 15.280 0.732 -2.225) 15.458 2.982 ( 2.104 -1.540 -2.975) 3.956 3.204 ( 2.719 -2.287 2.339) 4.254 3.392 ( -6.434 -0.253 2.131) 6.783 3.468 ( 1.045 1.261 1.550) 2.255 3.605 ( -0.250 -0.032 -0.883) 0.918 3.775 ( 2.430 -2.519 -3.166) 4.720 4.005 ( -0.805 -0.421 -1.847) 2.058 4.034 ( -1.846 -0.590 -2.922) 3.506 4.106 ( -1.365 1.250 3.844) 4.267 4.617 ( -7.040 0.055 -5.163) 8.730 4.923 ( 3.354 -1.324 3.279) 4.873 5.028 ( 1.040 0.630 0.624) 1.367 7.214 ( 0.529 -0.154 -0.874) 1.033 7.771 ( -0.678 -0.846 -1.776) 2.081 8.443 ( -8.827 -1.678 0.212) 8.987 9.157 ( -0.360 0.245 -0.482) 0.650 9.480 ( -0.391 -0.438 -0.517) 0.782 9.570 ( -3.897 -2.097 -2.340) 5.005 9.884 ( 2.839 4.098 2.435) 5.548 10.125 ( 7.719 0.512 0.691) 7.767 ======================= Grid point 12 (9/88) ======================= q-point: (-0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.563 ( -17.813 8.658 6.185) 20.749 0.636 ( -4.392 16.014 2.044) 16.731 0.971 ( -10.270 15.585 -8.799) 20.635 1.146 ( -7.076 -3.534 -1.118) 7.988 1.357 ( -0.066 1.912 1.705) 2.562 1.440 ( 5.199 -0.557 -1.314) 5.391 1.532 ( 2.629 -1.287 4.571) 5.428 1.588 ( 0.238 -1.856 -0.481) 1.932 1.639 ( -1.799 0.599 -1.128) 2.206 1.687 ( -1.064 0.332 1.824) 2.137 1.740 ( 0.606 0.584 1.303) 1.551 1.887 ( -2.950 2.642 -0.822) 4.045 1.985 ( -0.074 -0.159 -3.034) 3.039 2.029 ( -3.410 -1.890 -2.259) 4.506 2.119 ( -2.271 -2.194 1.569) 3.526 2.231 ( -1.015 1.324 -2.323) 2.860 2.304 ( 2.502 0.587 2.278) 3.434 2.363 ( -1.011 2.895 0.157) 3.071 2.466 ( 2.050 -4.511 0.861) 5.029 2.540 ( 6.497 -6.000 1.383) 8.951 2.728 ( 8.984 0.382 6.948) 11.363 2.966 ( 0.735 -0.438 -3.413) 3.519 3.112 ( 11.054 1.324 -7.129) 13.220 3.266 ( 0.985 -1.049 -0.292) 1.468 3.305 ( -5.991 -0.297 6.962) 9.190 3.497 ( 3.340 0.347 1.852) 3.835 3.590 ( -1.085 0.286 -0.382) 1.185 3.800 ( -1.129 -1.787 -2.644) 3.385 3.969 ( -3.073 -1.015 -3.104) 4.484 4.030 ( 1.811 -0.243 -1.357) 2.275 4.087 ( -1.953 0.067 4.823) 5.204 4.501 ( -6.322 -1.136 -4.263) 7.709 4.975 ( 0.938 -0.532 2.251) 2.496 5.043 ( 1.454 0.633 -1.232) 2.008 7.224 ( 0.841 -0.155 -0.911) 1.249 7.753 ( -2.128 -1.442 -5.255) 5.850 8.308 ( -10.797 -2.176 1.522) 11.118 9.146 ( -0.373 0.403 -0.380) 0.668 9.472 ( -0.993 -0.575 -0.907) 1.463 9.534 ( -1.949 -1.388 -1.102) 2.634 9.882 ( 1.301 3.641 1.184) 4.044 10.262 ( 10.050 1.012 0.395) 10.109 ======================= Grid point 13 (10/88) ======================= q-point: (-0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.258 ( -0.000 12.234 0.000) 12.234 0.410 ( -0.000 19.138 0.000) 19.138 0.596 ( -0.000 26.775 0.000) 26.775 1.152 ( 0.000 -3.830 -0.000) 3.830 1.342 ( -0.000 2.220 0.000) 2.220 1.512 ( 0.000 -1.843 -0.000) 1.843 1.523 ( -0.000 0.166 0.000) 0.166 1.618 ( 0.000 -1.500 -0.000) 1.500 1.677 ( 0.000 -0.487 -0.000) 0.487 1.686 ( -0.000 1.219 0.000) 1.219 1.697 ( 0.000 -1.936 -0.000) 1.936 1.860 ( -0.000 0.761 0.000) 0.761 1.926 ( -0.000 3.131 0.000) 3.131 2.032 ( 0.000 -1.963 -0.000) 1.963 2.150 ( 0.000 -3.790 -0.000) 3.790 2.205 ( 0.000 -0.215 -0.000) 0.215 2.309 ( -0.000 1.989 0.000) 1.989 2.325 ( -0.000 2.813 0.000) 2.813 2.530 ( 0.000 -3.713 -0.000) 3.713 2.654 ( 0.000 -5.181 -0.000) 5.181 2.926 ( 0.000 -3.391 -0.000) 3.391 2.927 ( -0.000 0.502 0.000) 0.502 3.180 ( -0.000 2.768 0.000) 2.768 3.237 ( 0.000 -0.262 -0.000) 0.262 3.282 ( -0.000 0.478 0.000) 0.478 3.557 ( -0.000 0.450 0.000) 0.450 3.582 ( 0.000 -2.809 -0.000) 2.809 3.790 ( 0.000 -0.848 -0.000) 0.848 3.939 ( 0.000 -0.548 -0.000) 0.548 4.058 ( -0.000 0.105 0.000) 0.105 4.067 ( 0.000 -0.110 -0.000) 0.110 4.424 ( -0.000 0.317 0.000) 0.317 4.987 ( 0.000 -0.193 -0.000) 0.193 5.044 ( -0.000 1.030 0.000) 1.030 7.233 ( 0.000 -0.092 -0.000) 0.092 7.705 ( -0.000 0.507 0.000) 0.507 8.196 ( -0.000 1.195 0.000) 1.195 9.137 ( -0.000 0.389 0.000) 0.389 9.461 ( 0.000 -0.175 -0.000) 0.175 9.529 ( 0.000 -0.834 -0.000) 0.834 9.861 ( -0.000 2.605 0.000) 2.605 10.389 ( 0.000 -2.337 -0.000) 2.337 ======================= Grid point 16 (11/88) ======================= q-point: ( 0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( 0.812 -0.000 7.635) 7.678 1.161 ( 11.992 -0.000 0.231) 11.994 1.199 ( -0.198 0.000 -0.946) 0.967 1.256 ( -4.790 0.000 4.428) 6.524 1.325 ( 3.554 -0.000 3.841) 5.233 1.429 ( -8.912 0.000 0.432) 8.922 1.585 ( -2.516 0.000 0.447) 2.555 1.632 ( -0.592 0.000 -1.197) 1.335 1.652 ( -6.961 0.000 3.692) 7.880 1.770 ( 9.020 -0.000 4.568) 10.111 1.817 ( 2.761 -0.000 4.874) 5.602 1.854 ( -3.821 0.000 1.208) 4.008 2.053 ( -2.669 0.000 -2.943) 3.973 2.067 ( -6.588 0.000 -5.899) 8.843 2.221 ( 0.562 0.000 -1.366) 1.477 2.221 ( 1.648 0.000 -1.549) 2.262 2.266 ( -2.817 0.000 -0.749) 2.915 2.311 ( 5.870 -0.000 2.383) 6.335 2.430 ( -0.101 0.000 -5.421) 5.422 2.434 ( 0.556 -0.000 -0.973) 1.121 2.495 ( 6.789 -0.000 -1.762) 7.014 2.696 ( 3.623 -0.000 -2.080) 4.178 2.893 ( 0.730 -0.000 1.408) 1.586 3.165 ( -1.644 0.000 1.351) 2.128 3.458 ( 1.594 -0.000 2.774) 3.199 3.484 ( -4.289 0.000 0.435) 4.311 3.599 ( 0.712 -0.000 -3.309) 3.385 3.698 ( 0.745 -0.000 -1.276) 1.478 4.016 ( 0.542 -0.000 -0.389) 0.668 4.050 ( -2.651 0.000 -1.663) 3.130 4.152 ( -0.212 0.000 1.886) 1.898 4.762 ( -6.975 0.000 -8.151) 10.728 4.798 ( 6.492 -0.000 3.148) 7.215 5.033 ( -0.685 0.000 4.189) 4.245 7.212 ( -0.105 0.000 -0.550) 0.559 7.778 ( -1.501 0.000 2.089) 2.572 8.565 ( -6.459 0.000 -2.236) 6.835 9.164 ( 0.108 -0.000 -0.335) 0.352 9.478 ( -0.342 0.000 -0.530) 0.631 9.598 ( -4.078 0.000 -2.247) 4.656 9.945 ( 2.331 -0.000 4.679) 5.228 9.959 ( 7.224 -0.000 1.066) 7.302 ======================= Grid point 17 (12/88) ======================= q-point: (-0.57 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( -6.285 -2.903 4.222) 8.109 1.116 ( -7.588 10.358 6.799) 14.528 1.139 ( -2.338 3.139 -3.079) 4.980 1.330 ( 7.583 -0.775 0.649) 7.650 1.337 ( -7.731 -7.705 4.553) 11.826 1.383 ( -6.562 4.039 2.072) 7.979 1.493 ( 3.054 -1.741 2.525) 4.329 1.602 ( -0.811 -0.343 -1.267) 1.543 1.641 ( 1.388 -0.354 -0.643) 1.570 1.776 ( -4.585 2.328 1.432) 5.338 1.848 ( -4.379 -0.121 -1.368) 4.589 1.908 ( -0.540 2.766 0.977) 2.983 1.959 ( -2.397 -2.551 -0.673) 3.565 2.020 ( 5.899 -2.472 -0.626) 6.426 2.185 ( 0.065 3.666 -0.199) 3.672 2.228 ( -2.498 -0.275 2.216) 3.351 2.296 ( 2.473 -0.840 -2.020) 3.302 2.345 ( 1.487 3.842 -4.227) 5.903 2.384 ( 0.920 0.852 1.606) 2.037 2.461 ( -1.149 -1.920 -0.555) 2.305 2.549 ( 2.051 -3.112 -2.199) 4.327 2.895 ( 14.501 0.838 -2.113) 14.679 2.930 ( 4.276 -2.541 -1.344) 5.152 3.170 ( 1.168 -0.792 2.826) 3.159 3.387 ( -7.058 -0.150 2.838) 7.608 3.489 ( 1.283 0.588 3.240) 3.535 3.597 ( 0.159 -0.415 -3.849) 3.874 3.735 ( 2.679 -1.019 -3.001) 4.150 3.995 ( -2.881 -0.360 -2.905) 4.107 4.022 ( 0.178 -0.282 -1.691) 1.724 4.135 ( -2.185 0.940 3.353) 4.111 4.618 ( -7.475 0.041 -6.560) 9.946 4.903 ( 4.637 -0.531 2.732) 5.409 5.042 ( 0.618 0.430 2.926) 3.022 7.213 ( 0.518 -0.002 -0.796) 0.950 7.761 ( -1.337 -0.200 0.449) 1.424 8.436 ( -8.313 0.216 -0.991) 8.375 9.161 ( -0.219 0.094 -0.448) 0.508 9.474 ( -0.218 -0.150 -0.471) 0.540 9.536 ( -3.304 -0.922 -2.129) 4.037 9.976 ( 3.231 4.047 2.800) 5.887 10.093 ( 6.317 -2.739 1.328) 7.012 ======================= Grid point 18 (13/88) ======================= q-point: (-0.43 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.706 ( -12.244 2.684 3.093) 12.910 0.929 ( -4.018 7.489 5.025) 9.873 1.033 ( -3.836 5.894 -0.494) 7.050 1.232 ( -4.729 0.767 -0.490) 4.816 1.322 ( -5.998 -3.137 0.035) 6.769 1.457 ( 6.273 0.609 -0.324) 6.310 1.555 ( 1.059 1.158 0.514) 1.651 1.585 ( 1.913 3.248 1.313) 3.992 1.653 ( 0.021 0.922 -2.242) 2.425 1.707 ( 0.346 -0.870 4.128) 4.232 1.767 ( -1.354 1.074 -2.131) 2.744 1.867 ( -6.985 -2.226 -3.953) 8.329 1.952 ( 3.513 -0.261 1.880) 3.992 2.065 ( -1.014 6.382 -1.734) 6.691 2.147 ( -4.121 3.215 2.865) 5.961 2.265 ( -0.592 0.935 -3.041) 3.236 2.277 ( 6.285 -3.809 1.958) 7.605 2.373 ( 0.314 -1.577 0.638) 1.730 2.405 ( -0.133 -0.368 1.626) 1.673 2.456 ( 1.888 -1.363 -1.987) 3.061 2.656 ( 4.052 -7.369 1.368) 8.521 2.940 ( -0.046 -1.232 -1.053) 1.621 3.142 ( 13.293 1.198 -7.776) 15.447 3.225 ( 1.823 -2.218 1.783) 3.380 3.301 ( -5.753 -0.077 7.819) 9.707 3.510 ( 1.398 0.927 2.747) 3.219 3.586 ( -0.775 -0.392 -3.003) 3.126 3.762 ( -0.168 -1.607 -2.616) 3.075 3.946 ( -2.718 -0.955 -2.794) 4.013 4.030 ( 1.826 0.127 -2.280) 2.924 4.097 ( -2.690 0.578 4.053) 4.898 4.493 ( -5.545 0.038 -4.098) 6.895 4.967 ( 2.014 -0.232 1.625) 2.599 5.059 ( 1.218 0.688 1.234) 1.865 7.223 ( 0.867 -0.044 -0.727) 1.132 7.739 ( -1.647 -0.225 -1.000) 1.940 8.304 ( -6.680 0.782 -0.005) 6.726 9.153 ( -0.264 0.278 -0.324) 0.502 9.467 ( -0.608 0.013 -0.557) 0.825 9.503 ( -1.508 -1.392 -1.019) 2.291 9.976 ( 1.780 4.990 1.342) 5.465 10.224 ( 5.264 -3.538 0.910) 6.407 ======================= Grid point 19 (14/88) ======================= q-point: (-0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.503 ( -0.000 10.486 0.000) 10.486 0.789 ( -0.000 16.125 0.000) 16.125 1.009 ( 0.000 -7.543 -0.000) 7.543 1.074 ( -0.000 17.281 0.000) 17.281 1.321 ( 0.000 -5.408 -0.000) 5.408 1.505 ( -0.000 1.013 0.000) 1.013 1.539 ( -0.000 1.079 0.000) 1.079 1.620 ( -0.000 1.789 0.000) 1.789 1.651 ( 0.000 -1.542 -0.000) 1.542 1.702 ( -0.000 2.571 0.000) 2.571 1.736 ( -0.000 3.293 0.000) 3.293 1.838 ( 0.000 -4.930 -0.000) 4.930 1.990 ( -0.000 1.251 0.000) 1.251 1.991 ( -0.000 2.150 0.000) 2.150 2.081 ( 0.000 -0.287 -0.000) 0.287 2.238 ( -0.000 2.164 0.000) 2.164 2.344 ( -0.000 0.966 0.000) 0.966 2.379 ( -0.000 2.017 0.000) 2.017 2.427 ( 0.000 -5.583 -0.000) 5.583 2.529 ( 0.000 -6.005 -0.000) 6.005 2.803 ( 0.000 -8.573 -0.000) 8.573 2.936 ( -0.000 0.194 0.000) 0.194 3.237 ( -0.000 0.174 0.000) 0.174 3.240 ( -0.000 2.639 0.000) 2.639 3.270 ( 0.000 -1.704 -0.000) 1.704 3.535 ( 0.000 -0.937 -0.000) 0.937 3.565 ( -0.000 0.308 0.000) 0.308 3.764 ( 0.000 -1.499 -0.000) 1.499 3.924 ( 0.000 -0.795 -0.000) 0.795 4.060 ( -0.000 0.158 0.000) 0.158 4.065 ( 0.000 -0.075 -0.000) 0.075 4.432 ( -0.000 0.458 0.000) 0.458 4.985 ( -0.000 0.031 0.000) 0.031 5.065 ( -0.000 0.878 0.000) 0.878 7.231 ( 0.000 -0.117 -0.000) 0.117 7.716 ( -0.000 0.440 0.000) 0.440 8.230 ( -0.000 1.801 0.000) 1.801 9.147 ( -0.000 0.421 0.000) 0.421 9.458 ( 0.000 -0.047 -0.000) 0.047 9.506 ( 0.000 -1.342 -0.000) 1.342 9.940 ( -0.000 4.762 0.000) 4.762 10.319 ( 0.000 -4.251 -0.000) 4.251 ======================= Grid point 24 (15/88) ======================= q-point: ( 0.43 -0.57 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.690 ( -8.549 0.000 1.536) 8.686 1.057 ( -13.992 0.000 8.576) 16.411 1.115 ( -1.914 0.000 -0.956) 2.139 1.242 ( -5.864 0.000 -4.234) 7.233 1.251 ( 5.042 -0.000 7.072) 8.685 1.452 ( 6.908 -0.000 -0.702) 6.943 1.575 ( -1.266 0.000 -2.969) 3.227 1.616 ( 4.785 -0.000 2.153) 5.247 1.674 ( 1.055 -0.000 0.163) 1.068 1.705 ( -8.195 0.000 -4.740) 9.468 1.724 ( -4.024 0.000 0.132) 4.026 1.855 ( -3.926 0.000 0.423) 3.949 1.985 ( 5.341 -0.000 3.066) 6.158 2.165 ( 9.354 -0.000 2.154) 9.598 2.185 ( -3.754 0.000 3.397) 5.062 2.224 ( 1.792 -0.000 -1.835) 2.565 2.330 ( -3.723 0.000 -5.836) 6.923 2.360 ( 3.567 -0.000 2.497) 4.354 2.381 ( -2.203 0.000 1.714) 2.791 2.439 ( 1.012 -0.000 -1.368) 1.702 2.512 ( -1.162 0.000 -3.344) 3.540 2.927 ( 0.759 -0.000 0.167) 0.777 3.156 ( 14.064 -0.000 -8.304) 16.333 3.198 ( 1.619 -0.000 2.466) 2.950 3.300 ( -5.419 0.000 8.669) 10.224 3.523 ( 0.876 -0.000 3.954) 4.050 3.581 ( -0.081 0.000 -4.535) 4.536 3.743 ( 0.086 -0.000 -2.980) 2.981 3.935 ( -2.517 0.000 -2.567) 3.595 4.032 ( 1.893 -0.000 -2.691) 3.290 4.104 ( -3.367 0.000 4.181) 5.368 4.494 ( -5.300 0.000 -4.084) 6.691 4.965 ( 2.397 -0.000 1.541) 2.850 5.067 ( 1.029 -0.000 1.804) 2.076 7.222 ( 0.802 -0.000 -0.607) 1.006 7.737 ( -1.461 0.000 -0.057) 1.462 8.316 ( -5.856 0.000 -0.383) 5.869 9.156 ( -0.216 0.000 -0.292) 0.363 9.470 ( -0.063 0.000 -0.259) 0.267 9.484 ( -1.801 0.000 -1.250) 2.193 10.054 ( 2.158 -0.000 1.663) 2.725 10.161 ( 3.909 -0.000 0.684) 3.968 ======================= Grid point 26 (16/88) ======================= q-point: (-0.43 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.621 ( 0.000 -0.321 -0.000) 0.321 0.912 ( -0.000 3.999 0.000) 3.999 1.110 ( -0.000 6.405 0.000) 6.405 1.171 ( 0.000 -4.343 -0.000) 4.343 1.304 ( -0.000 5.386 0.000) 5.386 1.524 ( -0.000 0.930 0.000) 0.930 1.544 ( 0.000 -0.581 -0.000) 0.581 1.625 ( 0.000 -4.524 -0.000) 4.524 1.644 ( -0.000 1.290 0.000) 1.290 1.702 ( 0.000 -2.197 -0.000) 2.197 1.709 ( 0.000 -2.917 -0.000) 2.917 1.811 ( -0.000 2.382 0.000) 2.382 2.065 ( -0.000 3.585 0.000) 3.585 2.086 ( -0.000 5.502 0.000) 5.502 2.191 ( -0.000 10.399 0.000) 10.399 2.250 ( 0.000 -0.888 -0.000) 0.888 2.307 ( 0.000 -5.172 -0.000) 5.172 2.346 ( 0.000 -0.700 -0.000) 0.700 2.406 ( -0.000 0.223 0.000) 0.223 2.448 ( 0.000 -1.003 -0.000) 1.003 2.572 ( 0.000 -12.081 -0.000) 12.081 2.935 ( 0.000 -0.132 -0.000) 0.132 3.225 ( 0.000 -1.236 -0.000) 1.236 3.247 ( -0.000 0.041 0.000) 0.041 3.281 ( -0.000 1.059 0.000) 1.059 3.537 ( -0.000 0.496 0.000) 0.496 3.569 ( -0.000 0.041 0.000) 0.041 3.736 ( 0.000 -0.862 -0.000) 0.862 3.910 ( 0.000 -0.398 -0.000) 0.398 4.063 ( -0.000 0.085 0.000) 0.085 4.065 ( -0.000 0.009 0.000) 0.009 4.440 ( -0.000 0.223 0.000) 0.223 4.986 ( -0.000 0.026 0.000) 0.026 5.078 ( -0.000 0.326 0.000) 0.326 7.229 ( 0.000 -0.053 -0.000) 0.053 7.722 ( -0.000 0.133 0.000) 0.133 8.261 ( -0.000 0.914 0.000) 0.914 9.153 ( -0.000 0.171 0.000) 0.171 9.462 ( -0.000 0.438 0.000) 0.438 9.478 ( 0.000 -1.111 -0.000) 1.111 10.046 ( -0.000 4.586 0.000) 4.586 10.222 ( 0.000 -4.302 -0.000) 4.302 ======================= Grid point 51 (17/88) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.372 ( 5.530 -0.000 17.022) 17.898 0.413 ( -14.062 0.000 18.618) 23.332 0.629 ( 8.604 -0.000 28.178) 29.463 1.175 ( -0.215 0.000 -0.499) 0.544 1.356 ( -0.128 0.000 3.855) 3.857 1.423 ( 8.028 -0.000 -4.978) 9.446 1.542 ( 4.204 -0.000 -1.594) 4.496 1.601 ( 0.050 -0.000 -0.434) 0.437 1.632 ( -6.735 0.000 1.091) 6.823 1.672 ( -8.682 0.000 -4.845) 9.943 1.785 ( -3.673 0.000 3.826) 5.303 1.794 ( -0.875 0.000 5.096) 5.171 1.979 ( 6.387 -0.000 3.648) 7.355 2.071 ( 0.747 -0.000 -0.764) 1.068 2.187 ( -0.793 0.000 -0.515) 0.946 2.206 ( 2.166 -0.000 -3.275) 3.927 2.253 ( 1.014 -0.000 -2.318) 2.530 2.326 ( -3.292 0.000 2.120) 3.915 2.487 ( -2.266 0.000 -6.778) 7.147 2.606 ( -5.179 0.000 -2.317) 5.673 2.812 ( 2.345 -0.000 -11.758) 11.990 2.941 ( 1.655 -0.000 1.639) 2.329 2.983 ( 3.841 -0.000 -11.606) 12.225 3.287 ( 1.053 -0.000 1.286) 1.662 3.404 ( -1.462 0.000 -4.032) 4.289 3.468 ( -8.099 0.000 10.503) 13.263 3.593 ( -0.674 0.000 2.710) 2.793 3.856 ( 5.500 -0.000 4.445) 7.072 3.994 ( 3.330 -0.000 3.973) 5.184 4.044 ( 0.195 -0.000 -1.948) 1.958 4.163 ( -16.949 0.000 0.454) 16.955 4.563 ( -0.293 0.000 -1.640) 1.666 4.905 ( 18.540 -0.000 0.615) 18.550 4.983 ( -4.269 0.000 -0.664) 4.320 7.220 ( 1.923 -0.000 -1.205) 2.270 8.079 ( 19.540 -0.000 -0.122) 19.541 8.452 ( -17.828 0.000 1.336) 17.878 9.134 ( 0.238 -0.000 0.032) 0.241 9.541 ( 0.017 -0.000 0.197) 0.198 9.624 ( 0.096 -0.000 -0.275) 0.292 9.749 ( 20.672 -0.000 0.182) 20.673 9.822 ( -2.125 0.000 -0.965) 2.334 ======================= Grid point 52 (18/88) ======================= q-point: ( 0.14 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.422 ( 10.012 -2.545 9.829) 14.259 0.574 ( 10.474 -2.615 14.439) 18.029 1.024 ( 17.439 -7.670 21.258) 28.546 1.182 ( 1.534 -1.594 0.641) 2.303 1.379 ( 0.944 0.494 4.485) 4.609 1.448 ( -5.660 5.105 -7.692) 10.829 1.528 ( 1.282 -1.607 -4.276) 4.745 1.559 ( 1.558 1.600 -0.570) 2.305 1.617 ( 1.013 0.599 1.645) 2.023 1.677 ( 4.898 -4.098 -0.114) 6.387 1.759 ( -2.316 0.213 2.652) 3.528 1.806 ( 0.385 -0.744 5.599) 5.662 2.074 ( 3.315 0.232 1.475) 3.635 2.090 ( 1.569 -0.294 2.422) 2.901 2.160 ( 0.158 3.571 -1.994) 4.093 2.209 ( 0.181 0.103 -3.996) 4.001 2.262 ( -1.516 -1.111 -1.381) 2.332 2.301 ( 0.101 -1.674 0.698) 1.817 2.420 ( -5.079 -2.555 -9.232) 10.842 2.511 ( -5.912 -0.689 -1.967) 6.268 2.646 ( -7.752 6.575 -6.091) 11.851 2.969 ( -0.713 -2.550 0.331) 2.668 2.999 ( 1.376 -0.213 -8.507) 8.620 3.287 ( -1.525 0.977 0.185) 1.821 3.380 ( -0.641 -0.022 -0.224) 0.680 3.450 ( -2.297 -2.398 6.489) 7.289 3.596 ( -0.344 -0.836 2.536) 2.693 3.906 ( -1.005 1.417 2.943) 3.417 4.026 ( -2.600 -0.350 -1.408) 2.978 4.041 ( 1.544 0.759 2.314) 2.883 4.069 ( 3.216 0.161 3.763) 4.952 4.564 ( 2.321 0.019 -0.859) 2.475 4.909 ( -4.417 -0.209 -3.472) 5.622 5.073 ( 5.022 1.383 -1.149) 5.334 7.218 ( -0.587 0.165 -0.825) 1.026 8.157 ( -12.100 4.636 11.519) 17.337 8.315 ( 13.596 6.605 -8.266) 17.228 9.151 ( 1.324 -0.160 0.524) 1.433 9.522 ( -1.215 0.812 0.564) 1.566 9.619 ( 4.800 4.884 1.053) 6.928 9.787 ( -2.922 -2.210 -2.326) 4.340 10.007 ( 1.815 -8.809 -5.969) 10.795 ======================= Grid point 53 (19/88) ======================= q-point: ( 0.29 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.704 ( 15.915 -2.396 3.498) 16.470 0.814 ( 10.356 -2.567 8.174) 13.441 1.181 ( 1.244 -0.312 2.527) 2.834 1.247 ( -4.596 4.796 -4.877) 8.241 1.391 ( -0.469 2.697 2.603) 3.778 1.492 ( 9.185 -5.783 5.123) 12.003 1.549 ( 4.200 -0.033 3.003) 5.164 1.588 ( 4.724 -0.553 0.178) 4.760 1.644 ( 1.276 0.381 1.054) 1.698 1.683 ( -0.694 -1.414 0.913) 1.821 1.806 ( 3.089 1.345 4.956) 5.993 1.892 ( 4.660 -5.359 0.325) 7.109 2.041 ( -2.940 5.062 -0.112) 5.855 2.116 ( -1.790 2.738 -2.193) 3.938 2.142 ( 1.979 -0.443 -1.787) 2.703 2.182 ( -0.959 1.013 -1.695) 2.195 2.252 ( -3.749 -1.790 -2.510) 4.853 2.288 ( 0.138 1.212 -5.898) 6.023 2.353 ( -0.964 -3.494 -0.203) 3.630 2.443 ( -3.296 -1.329 1.246) 3.766 2.530 ( -1.131 -0.304 -4.049) 4.215 2.891 ( -9.193 1.282 -1.510) 9.404 2.997 ( -1.428 -1.940 -1.094) 2.646 3.226 ( -2.610 2.604 -0.390) 3.708 3.401 ( 2.719 -0.017 -1.020) 2.904 3.450 ( -1.081 -0.565 3.826) 4.015 3.617 ( -0.337 -2.122 3.098) 3.771 3.855 ( -3.651 0.683 -2.124) 4.279 3.950 ( -3.891 -0.232 -2.727) 4.757 4.099 ( -0.057 0.696 1.232) 1.416 4.123 ( 5.205 1.621 4.771) 7.245 4.645 ( 6.057 -2.345 0.657) 6.528 4.821 ( -5.062 -0.424 -5.660) 7.606 5.092 ( 0.759 2.500 1.658) 3.094 7.205 ( -0.523 0.048 -1.244) 1.350 7.987 ( -7.187 4.623 9.209) 12.563 8.417 ( 8.065 2.504 -6.984) 10.958 9.175 ( 0.888 -0.202 1.313) 1.597 9.502 ( -0.821 0.257 0.516) 1.004 9.650 ( 2.886 2.456 -0.734) 3.860 9.768 ( -0.950 -2.020 -1.553) 2.719 10.033 ( -2.454 -2.912 -2.654) 4.642 ======================= Grid point 54 (20/88) ======================= q-point: ( 0.43 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.892 ( 2.191 3.300 2.863) 4.887 1.006 ( 11.693 -1.244 -2.226) 11.967 1.170 ( 2.182 -0.773 1.668) 2.853 1.209 ( -1.096 2.986 1.582) 3.553 1.293 ( -5.639 3.300 0.690) 6.570 1.547 ( 0.949 0.352 -0.839) 1.315 1.588 ( 0.938 -0.637 0.795) 1.385 1.608 ( 4.200 3.350 -2.479) 5.917 1.713 ( -0.979 -2.267 -0.768) 2.586 1.783 ( 3.082 3.387 4.514) 6.430 1.856 ( -5.251 3.767 -1.796) 6.707 1.957 ( -0.082 0.725 -1.919) 2.053 1.981 ( 4.656 -2.292 4.931) 7.158 2.045 ( 2.875 -2.441 -2.840) 4.721 2.159 ( -0.798 -1.720 -1.481) 2.406 2.195 ( 2.247 0.450 0.329) 2.315 2.213 ( -1.069 -1.493 -0.783) 1.996 2.319 ( 2.552 -1.334 -1.295) 3.157 2.373 ( -1.030 -1.449 0.705) 1.912 2.445 ( 0.571 -3.599 2.432) 4.381 2.545 ( 1.548 -2.172 -2.219) 3.470 2.678 ( -12.530 2.773 2.035) 12.994 2.978 ( -2.209 -0.124 -1.270) 2.551 3.179 ( 0.180 1.512 1.247) 1.969 3.421 ( 0.634 0.656 -1.584) 1.828 3.486 ( 3.732 -0.261 0.990) 3.870 3.643 ( -0.748 -2.140 3.806) 4.430 3.769 ( -5.292 -0.014 -1.091) 5.403 3.907 ( -0.111 -0.042 -5.945) 5.947 4.074 ( -2.177 -0.014 -1.017) 2.403 4.180 ( 2.303 1.911 4.631) 5.514 4.721 ( -5.390 -0.726 -6.825) 8.727 4.786 ( 6.685 -2.902 1.390) 7.419 5.072 ( -0.495 2.824 2.981) 4.136 7.192 ( -0.504 0.044 -1.641) 1.717 7.884 ( -4.041 2.970 6.138) 7.927 8.480 ( 3.839 -0.475 -5.630) 6.831 9.188 ( -0.225 -0.156 1.784) 1.805 9.492 ( -0.533 -0.102 0.279) 0.611 9.640 ( -2.018 -0.894 -3.613) 4.234 9.795 ( 3.383 1.137 1.081) 3.729 10.004 ( -1.373 0.617 -1.880) 2.409 ======================= Grid point 55 (21/88) ======================= q-point: (-0.43 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.802 ( -2.921 9.799 1.004) 10.274 0.997 ( -10.833 8.072 -6.083) 14.815 1.182 ( 3.594 -1.953 -0.173) 4.094 1.238 ( -0.107 1.351 2.958) 3.253 1.274 ( 5.203 -2.036 2.805) 6.252 1.535 ( -4.928 -0.250 1.188) 5.076 1.576 ( -4.203 3.757 -3.022) 6.397 1.617 ( 3.723 2.407 0.285) 4.442 1.655 ( -2.854 0.741 -0.814) 3.059 1.748 ( 1.792 2.394 0.217) 2.998 1.813 ( -2.015 0.019 -0.613) 2.106 1.894 ( -1.596 3.257 1.609) 3.968 2.064 ( -3.308 -2.832 -0.655) 4.404 2.118 ( 2.284 -2.859 0.845) 3.755 2.140 ( -2.032 -2.094 -1.949) 3.509 2.226 ( 2.941 0.608 -0.450) 3.037 2.237 ( 0.063 -1.598 1.489) 2.185 2.350 ( -0.885 -1.415 -0.378) 1.711 2.398 ( 3.082 -1.744 0.953) 3.667 2.436 ( -5.545 0.549 1.719) 5.832 2.593 ( 3.240 -3.696 -0.718) 4.967 2.647 ( 8.503 -0.437 2.525) 8.880 2.929 ( -1.520 1.688 -2.966) 3.735 3.206 ( 2.454 -0.208 1.345) 2.806 3.420 ( 1.293 1.163 -0.854) 1.938 3.531 ( -0.488 -0.673 2.988) 3.101 3.663 ( -0.526 -0.582 3.581) 3.666 3.717 ( -0.042 -1.186 -1.645) 2.028 3.900 ( 1.980 0.806 -5.892) 6.268 4.031 ( -2.937 -0.693 -2.228) 3.751 4.199 ( 0.350 0.068 3.973) 3.989 4.622 ( -5.413 -1.139 -5.448) 7.764 4.903 ( 4.098 -1.385 -1.419) 4.552 5.046 ( -0.517 1.840 3.956) 4.393 7.177 ( -0.404 0.039 -2.413) 2.447 7.831 ( -2.070 1.458 4.822) 5.447 8.515 ( -0.124 -3.906 -4.333) 5.834 9.183 ( -1.342 -0.195 1.768) 2.228 9.488 ( -0.434 -0.409 0.016) 0.597 9.595 ( -3.349 -1.616 -3.977) 5.445 9.839 ( 3.458 2.552 1.925) 4.709 9.969 ( 1.519 4.552 -3.179) 5.757 ======================= Grid point 56 (22/88) ======================= q-point: (-0.29 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.624 ( -4.366 14.986 2.696) 15.840 0.671 ( -13.148 10.775 -2.560) 17.191 1.152 ( -8.651 -1.862 3.598) 9.552 1.279 ( -5.184 1.290 0.764) 5.396 1.312 ( -2.167 5.229 4.824) 7.437 1.377 ( -1.151 -1.445 -1.367) 2.298 1.519 ( -1.150 2.798 -2.263) 3.778 1.605 ( -1.579 -1.570 0.487) 2.279 1.687 ( 0.292 -0.786 1.531) 1.745 1.694 ( -0.248 1.201 -1.509) 1.945 1.792 ( 2.751 1.189 3.737) 4.791 1.917 ( 2.202 -0.579 -0.848) 2.429 2.002 ( -7.801 -1.534 4.484) 9.127 2.045 ( -4.934 0.335 -2.671) 5.621 2.165 ( -0.822 -1.803 -2.798) 3.429 2.230 ( -2.827 -2.566 0.571) 3.860 2.310 ( -1.167 2.033 -1.924) 3.032 2.318 ( 4.824 0.825 1.604) 5.150 2.460 ( 4.289 -2.062 0.460) 4.781 2.517 ( 7.997 -4.848 0.135) 9.353 2.679 ( 5.144 -0.606 0.286) 5.187 2.779 ( 5.392 0.916 -4.854) 7.312 2.883 ( 0.099 1.615 -3.269) 3.648 3.244 ( 1.660 -0.027 0.040) 1.661 3.437 ( 2.174 1.169 0.146) 2.473 3.538 ( -0.384 -0.926 7.451) 7.518 3.643 ( -1.953 1.114 3.017) 3.763 3.762 ( 1.734 -1.493 -2.097) 3.104 3.923 ( 4.723 0.885 -4.415) 6.526 3.983 ( -2.801 -0.664 -1.688) 3.337 4.241 ( 1.544 -3.503 6.186) 7.275 4.540 ( -5.673 -2.827 -4.288) 7.653 4.910 ( 0.148 3.916 -6.259) 7.384 5.053 ( -0.759 -1.337 4.109) 4.388 7.163 ( 0.151 0.201 -3.482) 3.491 7.812 ( -1.416 0.323 5.979) 6.153 8.536 ( -4.049 -9.103 -2.722) 10.328 9.165 ( -1.872 -0.550 1.426) 2.417 9.482 ( -1.039 -0.611 -0.672) 1.380 9.550 ( -2.096 -0.686 -2.473) 3.314 9.855 ( 0.669 2.105 1.177) 2.502 9.931 ( 5.725 11.797 -5.588) 14.253 ======================= Grid point 57 (23/88) ======================= q-point: (-0.14 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.345 ( -7.232 8.300 6.296) 12.682 0.472 ( -0.993 13.679 15.134) 20.424 0.846 ( -26.259 4.138 17.307) 31.721 1.186 ( -1.211 0.211 -0.208) 1.247 1.339 ( 3.163 -0.226 -2.499) 4.038 1.366 ( 0.186 2.239 -0.633) 2.334 1.498 ( 2.848 1.736 -2.848) 4.385 1.602 ( -1.304 -1.009 0.610) 1.758 1.669 ( -1.053 -2.610 -0.988) 2.983 1.751 ( 1.182 -0.184 4.275) 4.440 1.861 ( -2.438 -0.197 0.149) 2.450 1.867 ( 0.500 1.066 0.383) 1.239 1.891 ( -8.717 -0.822 3.779) 9.537 2.039 ( 3.560 -0.681 -1.355) 3.869 2.171 ( -0.282 -3.044 -2.152) 3.739 2.208 ( -2.588 -1.945 -1.104) 3.421 2.267 ( 0.594 3.084 -2.494) 4.011 2.354 ( -0.595 0.003 2.570) 2.638 2.526 ( 2.164 1.362 -2.528) 3.595 2.665 ( 0.036 -0.807 0.122) 0.817 2.768 ( 2.684 -0.621 -4.658) 5.412 2.803 ( 10.584 -2.840 -9.795) 14.698 2.914 ( 6.195 2.462 -0.140) 6.667 3.265 ( 1.173 0.064 0.448) 1.257 3.444 ( 0.459 1.960 -1.397) 2.451 3.569 ( -2.212 -1.012 6.603) 7.036 3.613 ( -2.124 2.151 4.361) 5.306 3.771 ( 1.462 -0.674 -1.091) 1.945 3.957 ( -0.262 -0.412 1.006) 1.118 4.000 ( 5.091 -0.386 -2.202) 5.560 4.404 ( 8.774 -7.656 10.345) 15.576 4.443 ( -13.693 -8.390 -6.476) 17.315 4.800 ( 0.845 12.250 -6.927) 14.098 5.043 ( -3.506 -0.914 1.832) 4.060 7.169 ( 2.847 0.219 -2.380) 3.717 7.837 ( 3.151 -0.833 10.543) 11.036 8.564 ( -9.399 -16.954 -2.033) 19.491 9.147 ( -1.950 -1.133 0.644) 2.346 9.472 ( 0.966 -0.550 1.501) 1.868 9.535 ( 0.220 0.020 -0.128) 0.255 9.803 ( 3.511 15.270 -5.729) 16.683 9.865 ( 2.634 9.206 -1.364) 9.672 ======================= Grid point 59 (24/88) ======================= q-point: ( 0.14 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.685 ( 18.193 -0.000 3.161) 18.466 0.784 ( 10.633 -0.000 13.283) 17.015 1.186 ( 0.740 -0.000 1.726) 1.878 1.340 ( -5.614 0.000 -7.535) 9.396 1.353 ( 15.893 -0.000 12.297) 20.095 1.425 ( 1.262 -0.000 5.524) 5.666 1.525 ( 3.304 -0.000 -2.403) 4.085 1.617 ( 3.946 -0.000 -0.392) 3.966 1.649 ( -0.117 0.000 0.692) 0.702 1.676 ( -2.366 0.000 -0.028) 2.367 1.812 ( 7.919 -0.000 0.928) 7.973 1.838 ( 0.904 -0.000 7.900) 7.951 2.096 ( -0.720 0.000 5.012) 5.064 2.121 ( 1.385 -0.000 -1.665) 2.166 2.159 ( -1.718 0.000 -4.282) 4.614 2.214 ( -3.873 0.000 -5.904) 7.061 2.215 ( 2.499 -0.000 -0.396) 2.530 2.296 ( 0.572 -0.000 0.631) 0.852 2.321 ( -2.332 0.000 -9.482) 9.764 2.421 ( -4.119 0.000 1.587) 4.414 2.533 ( -6.154 0.000 -5.381) 8.175 2.932 ( -1.677 0.000 1.244) 2.088 2.943 ( -6.814 0.000 -3.088) 7.481 3.255 ( -2.888 0.000 -0.104) 2.890 3.399 ( 2.163 -0.000 -1.373) 2.562 3.439 ( 0.473 -0.000 4.942) 4.964 3.594 ( -0.277 0.000 2.404) 2.420 3.861 ( -4.172 0.000 -2.678) 4.957 3.944 ( -4.407 0.000 -2.837) 5.241 4.106 ( -0.282 0.000 1.127) 1.162 4.150 ( 5.945 -0.000 6.351) 8.699 4.617 ( 5.433 -0.000 0.293) 5.441 4.815 ( -5.093 0.000 -6.159) 7.992 5.121 ( 0.526 -0.000 1.243) 1.350 7.205 ( -0.557 0.000 -1.147) 1.275 8.039 ( -9.446 0.000 9.898) 13.683 8.462 ( 6.207 -0.000 -10.690) 12.362 9.173 ( 0.924 -0.000 1.326) 1.616 9.504 ( -1.260 0.000 0.339) 1.305 9.695 ( -4.372 0.000 -2.985) 5.294 9.739 ( 5.918 -0.000 -0.485) 5.937 9.983 ( 0.482 -0.000 0.423) 0.641 ======================= Grid point 60 (25/88) ======================= q-point: ( 0.29 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( 7.449 1.736 6.885) 10.291 0.981 ( 12.144 -1.755 2.692) 12.562 1.177 ( -2.162 0.890 -2.972) 3.781 1.282 ( 4.225 3.688 3.012) 6.366 1.382 ( -4.817 4.053 -2.107) 6.638 1.484 ( -0.576 -4.264 2.254) 4.857 1.608 ( -1.665 1.698 -0.617) 2.456 1.647 ( -1.618 -2.368 -0.607) 2.932 1.686 ( 6.452 0.986 -0.680) 6.563 1.744 ( 9.607 -4.200 6.233) 12.197 1.877 ( 2.022 1.108 6.218) 6.632 1.932 ( 1.927 -1.452 2.091) 3.193 2.028 ( -5.209 5.252 -3.560) 8.209 2.098 ( -2.796 1.117 -0.511) 3.054 2.131 ( 1.438 -0.532 -2.339) 2.797 2.170 ( -0.578 -2.447 -4.624) 5.264 2.225 ( 0.454 3.542 -2.794) 4.534 2.298 ( 3.106 -1.658 -1.856) 3.980 2.335 ( 3.112 -1.783 0.030) 3.587 2.386 ( -2.435 -1.157 2.703) 3.818 2.481 ( -0.535 -2.854 -2.585) 3.887 2.761 ( -10.526 3.911 1.164) 11.289 2.932 ( -1.763 -3.075 0.200) 3.550 3.209 ( -1.759 0.917 0.889) 2.174 3.431 ( 2.102 0.276 -1.488) 2.591 3.481 ( 2.998 -0.208 1.204) 3.238 3.603 ( -0.402 -1.213 2.828) 3.103 3.763 ( -6.641 -0.264 -1.062) 6.730 3.898 ( 0.048 -0.437 -6.719) 6.734 4.074 ( -3.135 -0.017 -1.176) 3.348 4.233 ( 2.699 2.033 6.979) 7.753 4.707 ( -5.007 -0.284 -7.621) 9.124 4.736 ( 6.701 -1.601 1.260) 7.004 5.115 ( -1.013 1.113 2.782) 3.163 7.193 ( -0.427 0.070 -1.465) 1.528 7.932 ( -6.297 1.303 7.265) 9.703 8.489 ( 2.094 0.772 -8.030) 8.334 9.185 ( -0.123 -0.082 1.777) 1.783 9.490 ( -0.732 -0.088 0.532) 0.909 9.618 ( -4.119 -0.721 -3.363) 5.366 9.831 ( 6.551 1.590 -0.371) 6.751 9.995 ( 0.086 -0.923 0.467) 1.038 ======================= Grid point 61 (26/88) ======================= q-point: (-0.57 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( 0.218 4.619 3.521) 5.812 1.114 ( -2.042 0.159 -4.638) 5.070 1.181 ( 1.682 -0.027 -0.742) 1.838 1.206 ( -2.360 4.916 -0.522) 5.478 1.356 ( 6.022 4.829 7.565) 10.808 1.510 ( -1.858 -2.121 3.032) 4.141 1.579 ( -0.942 -0.927 -0.517) 1.419 1.630 ( -2.793 -2.075 -2.091) 4.060 1.724 ( 0.028 4.386 -0.821) 4.462 1.820 ( -3.286 4.605 -1.218) 5.787 1.867 ( 2.159 2.463 1.569) 3.631 1.930 ( -8.394 -0.784 1.165) 8.511 1.986 ( 2.861 -4.493 0.899) 5.402 2.032 ( -0.656 -2.140 0.624) 2.324 2.133 ( -1.157 2.272 -2.560) 3.612 2.205 ( 0.561 -1.849 -2.082) 2.841 2.217 ( 3.764 -1.509 -1.918) 4.486 2.341 ( -0.489 0.448 2.030) 2.136 2.366 ( 0.212 -0.573 1.335) 1.468 2.457 ( 2.573 -0.026 0.086) 2.575 2.496 ( 1.085 -3.980 -1.510) 4.393 2.658 ( 5.122 0.928 1.132) 5.327 2.929 ( -1.692 -1.577 -1.955) 3.028 3.202 ( 1.007 0.004 2.016) 2.254 3.447 ( 1.816 1.299 -1.549) 2.718 3.520 ( -0.207 -0.369 2.412) 2.449 3.629 ( -0.380 -2.231 3.208) 3.926 3.688 ( -1.694 -1.221 -1.116) 2.368 3.899 ( 1.975 -0.505 -6.933) 7.227 4.016 ( -3.542 -0.668 -1.993) 4.118 4.240 ( -0.697 2.891 5.351) 6.122 4.602 ( -5.464 -0.714 -6.683) 8.662 4.864 ( 5.656 -1.789 0.758) 5.981 5.090 ( -1.267 1.741 2.863) 3.582 7.181 ( -0.244 0.230 -1.805) 1.836 7.860 ( -3.795 1.081 5.232) 6.553 8.469 ( -1.846 -0.774 -5.109) 5.487 9.181 ( -1.137 -0.019 1.557) 1.928 9.484 ( -0.456 -0.031 0.489) 0.669 9.558 ( -3.450 -1.563 -2.961) 4.807 9.901 ( 4.810 3.217 0.431) 5.803 10.018 ( 3.028 0.159 -1.643) 3.448 ======================= Grid point 62 (27/88) ======================= q-point: (-0.43 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.892 ( -2.542 9.197 2.298) 9.814 0.928 ( -7.624 12.519 -1.878) 14.777 1.075 ( -7.091 -5.075 -0.290) 8.724 1.292 ( 3.767 0.966 -2.171) 4.454 1.392 ( -3.181 2.746 5.903) 7.247 1.467 ( -0.799 6.929 3.862) 7.973 1.550 ( 0.139 -0.400 0.593) 0.729 1.600 ( -2.378 0.432 -1.542) 2.867 1.677 ( -6.221 0.381 3.122) 6.971 1.734 ( -1.751 2.332 -1.781) 3.417 1.787 ( -0.120 -0.727 4.120) 4.185 1.914 ( 0.418 -0.238 0.582) 0.755 1.941 ( -6.136 -3.208 -1.545) 7.094 2.037 ( -3.716 1.128 -1.662) 4.224 2.167 ( 2.604 -0.372 -2.597) 3.696 2.201 ( -2.706 0.024 -0.646) 2.782 2.307 ( 4.216 -0.480 2.220) 4.788 2.354 ( 4.022 -0.492 -3.385) 5.280 2.392 ( 2.093 -3.955 1.907) 4.864 2.443 ( 1.458 -0.220 1.109) 1.845 2.621 ( 5.556 -4.340 -1.853) 7.290 2.795 ( 8.387 0.036 -4.541) 9.538 2.903 ( -0.610 0.161 -3.339) 3.398 3.237 ( 1.589 -0.662 0.846) 1.918 3.462 ( 2.331 1.121 -0.779) 2.702 3.520 ( -0.987 -0.662 7.374) 7.470 3.635 ( -1.721 -1.575 2.048) 3.105 3.726 ( 2.144 -1.977 -0.684) 2.995 3.924 ( 3.056 -0.657 -5.033) 5.925 3.967 ( -2.797 -0.855 -1.263) 3.186 4.211 ( -1.466 0.897 4.072) 4.420 4.506 ( -5.141 -0.651 -4.231) 6.690 4.944 ( 2.721 -0.379 -1.375) 3.072 5.060 ( -1.124 1.700 2.100) 2.926 7.171 ( 0.473 0.470 -2.376) 2.467 7.819 ( -2.508 0.282 4.962) 5.567 8.417 ( -5.388 -2.670 -1.758) 6.265 9.163 ( -1.426 0.127 0.820) 1.650 9.476 ( -0.797 -0.078 -0.068) 0.804 9.525 ( -1.711 -1.418 -1.285) 2.567 9.915 ( 1.518 3.568 0.398) 3.898 10.078 ( 7.084 2.613 -4.603) 8.843 ======================= Grid point 63 (28/88) ======================= q-point: (-0.29 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.624 ( -7.555 14.878 -1.790) 16.782 0.753 ( -7.394 10.783 9.943) 16.426 0.999 ( -6.342 5.824 8.661) 12.213 1.172 ( -8.076 1.253 4.225) 9.200 1.364 ( 4.856 2.843 -4.413) 7.151 1.428 ( -2.325 2.851 4.013) 5.444 1.561 ( 3.323 2.692 -1.962) 4.705 1.581 ( 0.009 0.028 1.576) 1.577 1.601 ( -2.742 -1.986 -2.908) 4.464 1.741 ( -0.044 -0.782 3.541) 3.627 1.822 ( -7.803 -2.187 3.608) 8.871 1.868 ( 1.113 -0.604 0.860) 1.531 1.916 ( 1.022 0.404 -2.333) 2.579 2.007 ( -0.087 -1.382 -0.050) 1.386 2.134 ( -2.997 -1.046 -0.089) 3.175 2.171 ( 0.430 0.413 -3.654) 3.702 2.324 ( 0.752 1.772 -1.674) 2.551 2.370 ( -0.358 1.487 1.096) 1.882 2.494 ( 1.924 -3.790 1.358) 4.462 2.583 ( 5.698 -6.448 1.984) 8.830 2.730 ( 3.624 -2.446 -6.672) 7.977 2.811 ( 2.090 1.724 -12.975) 13.255 2.943 ( 5.876 0.251 -1.872) 6.172 3.263 ( 0.831 -0.442 -0.115) 0.948 3.488 ( 2.106 1.604 1.092) 2.864 3.546 ( -1.604 -1.291 6.786) 7.091 3.630 ( -2.092 -0.815 4.021) 4.605 3.753 ( 0.567 -0.940 -1.305) 1.705 3.946 ( -0.124 -0.572 0.764) 0.962 3.980 ( 3.645 -1.390 -2.240) 4.499 4.212 ( -3.356 -3.921 5.020) 7.200 4.433 ( -1.788 0.492 -0.803) 2.021 4.953 ( 1.985 3.024 -4.378) 5.678 5.031 ( -1.964 0.527 1.121) 2.322 7.177 ( 2.116 0.495 -2.394) 3.233 7.814 ( -0.193 -1.096 7.805) 7.884 8.346 ( -8.005 -4.128 2.370) 9.314 9.143 ( -0.774 0.267 0.101) 0.825 9.466 ( -0.213 -0.175 0.305) 0.411 9.522 ( -0.193 -0.949 0.143) 0.979 9.888 ( -0.089 3.362 -0.581) 3.413 10.139 ( 8.103 5.877 -9.292) 13.658 ======================= Grid point 64 (29/88) ======================= q-point: (-0.14 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.430 ( -2.590 8.087 11.141) 14.008 0.516 ( -7.972 9.396 13.604) 18.355 0.889 ( 7.259 18.027 19.691) 27.666 1.160 ( 0.315 -2.858 0.208) 2.883 1.367 ( -1.073 -0.018 -0.316) 1.119 1.431 ( 5.617 2.048 -1.083) 6.076 1.535 ( -3.692 -2.136 -5.559) 7.007 1.581 ( -2.596 -1.736 2.107) 3.767 1.619 ( 4.458 1.966 -0.716) 4.924 1.684 ( -7.052 0.625 -1.512) 7.239 1.765 ( -0.885 -1.890 4.752) 5.190 1.842 ( -2.025 3.649 0.616) 4.218 1.991 ( 5.729 0.510 3.541) 6.754 2.043 ( 1.757 -2.485 0.522) 3.088 2.136 ( -1.587 -4.435 -1.085) 4.834 2.181 ( 2.835 -0.218 -3.472) 4.488 2.304 ( 0.763 2.882 -2.003) 3.592 2.335 ( -2.782 1.105 1.668) 3.427 2.525 ( -1.930 -0.318 -2.375) 3.077 2.620 ( -3.340 0.606 -4.407) 5.563 2.698 ( -6.751 -6.794 -8.737) 12.964 2.894 ( 9.817 -0.560 -8.994) 13.326 3.021 ( 3.189 0.125 -4.046) 5.153 3.280 ( 0.592 -0.746 0.307) 1.001 3.475 ( -9.608 0.493 6.182) 11.436 3.489 ( 0.541 3.631 -1.703) 4.047 3.603 ( -0.929 0.857 3.295) 3.530 3.820 ( 4.549 -2.570 3.904) 6.522 3.986 ( 3.322 -0.504 2.903) 4.440 4.032 ( 1.047 -1.085 -0.877) 1.744 4.136 ( -10.163 -1.465 2.212) 10.504 4.493 ( 5.108 -2.494 3.063) 6.457 4.964 ( 5.185 1.855 -2.684) 6.126 4.986 ( -1.823 1.017 -1.433) 2.532 7.211 ( 1.964 -0.506 -1.429) 2.481 7.965 ( 11.379 -8.836 9.570) 17.296 8.264 ( -9.259 -3.778 6.573) 11.967 9.137 ( 0.499 0.338 -0.053) 0.605 9.492 ( 1.949 -2.060 2.265) 3.630 9.535 ( 0.769 -0.623 0.464) 1.094 9.844 ( -1.065 2.406 -1.423) 2.991 10.121 ( 4.523 10.887 -14.169) 18.432 ======================= Grid point 67 (30/88) ======================= q-point: ( 0.29 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( -1.678 0.000 6.235) 6.457 1.115 ( -3.565 0.000 -5.700) 6.724 1.175 ( 10.331 -0.000 1.366) 10.421 1.310 ( -5.048 0.000 -8.150) 9.587 1.400 ( -0.846 0.000 8.682) 8.723 1.478 ( 5.799 -0.000 7.997) 9.879 1.586 ( -2.678 0.000 -0.860) 2.813 1.594 ( -0.203 0.000 -2.428) 2.436 1.765 ( -1.604 0.000 1.799) 2.410 1.861 ( 7.274 -0.000 1.146) 7.364 1.880 ( -6.046 0.000 3.850) 7.168 1.919 ( -7.754 0.000 -4.354) 8.892 1.938 ( 0.390 -0.000 1.411) 1.464 2.029 ( -4.353 0.000 1.465) 4.593 2.133 ( 0.592 -0.000 -3.552) 3.601 2.183 ( 4.343 -0.000 -1.584) 4.623 2.254 ( 1.165 -0.000 -5.241) 5.369 2.349 ( 3.714 -0.000 0.879) 3.817 2.355 ( -2.458 0.000 1.896) 3.105 2.405 ( 4.517 -0.000 -0.813) 4.589 2.478 ( 1.913 -0.000 -0.198) 1.923 2.676 ( 0.327 -0.000 0.735) 0.804 2.899 ( -0.549 0.000 -0.826) 0.991 3.204 ( 0.044 -0.000 1.976) 1.976 3.463 ( 1.944 -0.000 -2.498) 3.165 3.517 ( 0.301 -0.000 2.374) 2.393 3.599 ( -0.352 0.000 3.323) 3.341 3.674 ( -2.581 0.000 -0.877) 2.726 3.892 ( 2.212 -0.000 -7.558) 7.875 4.008 ( -3.914 0.000 -1.862) 4.334 4.277 ( -1.425 0.000 6.506) 6.660 4.594 ( -5.251 0.000 -6.802) 8.593 4.843 ( 6.354 -0.000 0.711) 6.393 5.109 ( -1.405 0.000 2.744) 3.083 7.184 ( -0.163 0.000 -1.601) 1.609 7.871 ( -4.567 0.000 5.367) 7.047 8.465 ( -2.349 0.000 -5.698) 6.164 9.181 ( -1.019 0.000 1.533) 1.841 9.484 ( -0.326 0.000 1.033) 1.083 9.540 ( -3.489 0.000 -2.783) 4.463 9.951 ( 7.212 -0.000 -1.705) 7.410 10.003 ( 1.187 -0.000 0.393) 1.250 ======================= Grid point 68 (31/88) ======================= q-point: (-0.57 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.925 ( -10.050 -3.209 3.428) 11.093 1.062 ( -0.098 3.421 -3.094) 4.614 1.169 ( -3.553 8.080 -3.033) 9.333 1.311 ( 6.184 0.613 -0.919) 6.282 1.411 ( -1.330 -1.972 7.395) 7.768 1.543 ( -2.676 0.062 1.186) 2.927 1.560 ( 0.472 2.012 2.202) 3.020 1.610 ( -6.156 0.860 3.606) 7.186 1.658 ( -2.633 -1.556 6.415) 7.107 1.747 ( -8.069 -0.319 -5.330) 9.676 1.779 ( -4.398 -1.239 -1.196) 4.723 1.925 ( -4.107 2.204 -0.902) 4.747 1.938 ( 1.891 1.705 -1.028) 2.746 2.084 ( 7.201 -2.894 2.958) 8.306 2.164 ( 2.456 1.541 0.593) 2.959 2.203 ( -0.726 4.812 -5.448) 7.305 2.280 ( 6.709 -1.981 -2.243) 7.346 2.315 ( -2.303 -1.032 3.811) 4.571 2.380 ( 0.304 1.184 -1.139) 1.671 2.466 ( -0.662 0.613 0.432) 1.000 2.496 ( 2.996 -6.709 -1.909) 7.592 2.787 ( 9.413 -0.409 -5.339) 10.829 2.895 ( 0.180 -0.515 -2.346) 2.408 3.222 ( 0.829 -0.547 1.574) 1.861 3.473 ( 0.850 -0.030 -3.376) 3.481 3.516 ( -0.884 0.127 7.792) 7.843 3.612 ( 0.044 -0.141 3.589) 3.592 3.683 ( 1.930 -1.697 -1.452) 2.952 3.913 ( 2.909 -0.267 -6.165) 6.822 3.951 ( -2.642 -0.486 -0.778) 2.796 4.244 ( -3.376 1.274 4.531) 5.793 4.501 ( -4.254 -0.019 -3.542) 5.536 4.929 ( 3.710 -0.549 -0.444) 3.777 5.091 ( -1.155 0.852 1.475) 2.059 7.179 ( 0.546 0.233 -1.861) 1.954 7.823 ( -3.356 0.082 4.207) 5.382 8.393 ( -4.743 -0.241 -2.086) 5.187 9.165 ( -1.188 0.091 0.713) 1.388 9.479 ( -0.778 0.474 0.304) 0.961 9.497 ( -1.382 -1.122 -0.616) 1.884 9.997 ( 2.384 3.842 -0.866) 4.603 10.074 ( 5.566 -2.207 -2.952) 6.676 ======================= Grid point 69 (32/88) ======================= q-point: (-0.43 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.815 ( -10.661 -3.664 5.712) 12.638 0.928 ( -4.879 10.134 -3.997) 11.937 1.064 ( 0.055 8.398 3.598) 9.137 1.299 ( -4.829 6.175 4.635) 9.107 1.382 ( -8.249 -4.152 4.164) 10.131 1.463 ( 0.960 0.746 0.883) 1.503 1.543 ( 0.872 -0.531 1.838) 2.103 1.578 ( -0.781 0.798 -3.289) 3.473 1.679 ( 2.127 2.382 0.542) 3.239 1.725 ( -1.362 -1.022 1.047) 1.999 1.762 ( 0.156 -7.789 1.515) 7.937 1.827 ( -3.362 3.673 0.835) 5.049 1.949 ( 2.826 2.489 -2.904) 4.756 2.051 ( -1.777 6.803 1.069) 7.112 2.147 ( -3.798 2.654 -1.838) 4.985 2.204 ( 2.721 0.980 -3.234) 4.339 2.336 ( 1.056 -2.616 2.960) 4.089 2.368 ( 0.906 -0.380 -1.407) 1.717 2.432 ( -1.307 -3.004 0.656) 3.341 2.455 ( 5.611 -2.551 1.751) 6.408 2.626 ( 3.181 -7.762 -3.482) 9.082 2.849 ( 2.920 1.889 -11.015) 11.551 2.929 ( 4.399 -1.412 -4.287) 6.302 3.241 ( -0.194 -1.545 -0.451) 1.622 3.480 ( 0.168 -1.728 -2.916) 3.394 3.539 ( -0.967 0.534 10.218) 10.277 3.624 ( 0.414 0.838 3.835) 3.947 3.726 ( 1.548 -1.567 -0.228) 2.215 3.935 ( 0.163 -0.405 1.415) 1.481 3.953 ( 3.236 -0.982 -3.450) 4.831 4.192 ( -3.604 0.542 3.796) 5.262 4.444 ( -1.161 0.481 -0.069) 1.259 4.967 ( 1.018 -0.344 -1.806) 2.102 5.062 ( -1.097 1.503 -0.675) 1.980 7.186 ( 1.559 0.349 -2.121) 2.655 7.795 ( -1.909 -0.671 4.874) 5.278 8.315 ( -4.765 0.014 1.372) 4.958 9.150 ( -0.540 0.279 -0.045) 0.609 9.464 ( -0.258 0.086 0.119) 0.297 9.501 ( -0.101 -0.937 1.082) 1.435 9.972 ( 0.487 4.378 -1.602) 4.688 10.166 ( 4.687 -1.725 -5.649) 7.540 ======================= Grid point 70 (33/88) ======================= q-point: (-0.29 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.634 ( -8.810 9.085 9.531) 15.843 0.757 ( -1.853 11.092 0.061) 11.246 1.043 ( 0.362 -4.961 3.195) 5.912 1.224 ( 4.736 11.116 10.487) 15.999 1.339 ( -3.666 -4.148 0.947) 5.616 1.486 ( 1.312 3.654 -3.187) 5.023 1.517 ( -1.771 -0.307 -5.146) 5.451 1.559 ( -1.103 0.889 3.810) 4.065 1.662 ( -0.494 1.589 -1.712) 2.387 1.702 ( -2.093 -0.071 1.539) 2.599 1.766 ( -0.466 2.668 2.151) 3.459 1.892 ( 3.263 -2.517 3.496) 5.404 1.956 ( 3.263 -0.399 -1.459) 3.596 2.027 ( 2.256 0.954 1.402) 2.822 2.048 ( -3.694 -0.548 -1.617) 4.070 2.211 ( 2.367 2.326 -3.824) 5.064 2.356 ( -0.983 0.427 1.610) 1.934 2.359 ( -0.377 2.065 -1.964) 2.874 2.447 ( -1.966 -6.022 1.220) 6.452 2.543 ( -2.301 -3.758 -0.259) 4.414 2.665 ( -3.258 -1.301 -8.081) 8.809 2.884 ( 8.146 -0.466 -9.295) 12.369 2.998 ( 3.354 -1.959 -5.583) 6.801 3.248 ( -1.016 -2.481 -1.546) 3.095 3.466 ( -5.593 -1.266 1.076) 5.835 3.518 ( -2.604 0.145 5.472) 6.061 3.631 ( 0.689 1.914 4.350) 4.802 3.782 ( 3.649 -0.987 2.116) 4.332 3.977 ( 3.232 -0.456 3.420) 4.728 4.005 ( 2.285 -1.297 -1.335) 2.947 4.123 ( -5.958 0.145 2.148) 6.335 4.477 ( 4.797 0.215 3.412) 5.891 4.964 ( -1.223 -0.554 -1.916) 2.340 5.023 ( -0.301 1.548 -3.023) 3.409 7.205 ( 1.538 -0.063 -1.874) 2.425 7.833 ( 1.906 -3.857 7.770) 8.882 8.258 ( -2.012 1.244 2.849) 3.703 9.145 ( 0.511 0.378 -0.149) 0.653 9.474 ( 1.044 -0.205 1.244) 1.637 9.518 ( 0.599 -0.937 1.154) 1.602 9.914 ( -1.146 4.103 -2.174) 4.782 10.205 ( 0.889 -0.509 -8.750) 8.809 ======================= Grid point 71 (34/88) ======================= q-point: (-0.14 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.537 ( 7.317 8.199 5.759) 12.407 0.696 ( 6.555 8.046 6.718) 12.363 1.133 ( 2.421 -2.267 2.824) 4.356 1.281 ( 4.173 -0.513 6.953) 8.126 1.349 ( 4.663 8.890 4.679) 11.076 1.382 ( -2.814 -1.819 -4.108) 5.301 1.519 ( -1.682 -1.507 2.800) 3.597 1.567 ( 3.908 1.716 -1.839) 4.647 1.620 ( -0.692 1.152 -0.350) 1.388 1.719 ( -1.207 -1.893 3.513) 4.169 1.737 ( 0.926 1.528 0.672) 1.909 1.896 ( 2.873 6.044 -0.079) 6.693 2.027 ( -1.930 -5.011 0.125) 5.371 2.069 ( 3.136 -3.080 -0.347) 4.409 2.089 ( 3.882 -1.003 0.820) 4.093 2.211 ( 0.632 0.589 -4.093) 4.183 2.298 ( -2.517 0.907 -1.317) 2.982 2.340 ( -1.106 2.213 -0.379) 2.503 2.439 ( -6.034 -2.584 -3.160) 7.285 2.500 ( -4.137 -1.553 -1.873) 4.799 2.568 ( -2.481 1.677 -5.140) 5.949 2.988 ( 4.601 -0.779 -4.208) 6.283 3.005 ( -2.535 -0.292 -6.261) 6.761 3.245 ( -2.838 -3.099 -1.458) 4.448 3.385 ( -2.742 0.489 3.439) 4.425 3.487 ( -3.321 0.169 3.205) 4.619 3.633 ( 0.373 2.400 3.435) 4.207 3.859 ( 1.533 -2.449 2.000) 3.514 4.018 ( -3.752 -0.882 0.411) 3.876 4.049 ( 2.317 1.222 0.294) 2.636 4.056 ( 1.964 -0.794 2.989) 3.664 4.572 ( 5.461 0.886 1.864) 5.838 4.913 ( -4.141 0.115 -3.212) 5.242 5.036 ( 2.389 -1.708 -0.964) 3.091 7.214 ( -0.060 -0.190 -1.280) 1.295 7.963 ( -1.255 -9.183 9.872) 13.541 8.275 ( 6.879 1.129 -0.883) 7.027 9.157 ( 1.207 0.310 0.480) 1.336 9.499 ( 0.240 -0.847 1.379) 1.636 9.561 ( 3.357 -1.473 1.169) 3.848 9.840 ( -2.295 3.167 -2.441) 4.610 10.140 ( -3.528 2.591 -8.265) 9.352 ======================= Grid point 75 (35/88) ======================= q-point: ( 0.43 -0.57 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.736 ( -9.952 0.000 2.018) 10.154 1.089 ( 0.283 -0.000 -0.656) 0.714 1.180 ( -0.520 0.000 -0.502) 0.723 1.301 ( -18.624 0.000 11.325) 21.797 1.395 ( -3.778 0.000 3.038) 4.848 1.434 ( 5.363 -0.000 -2.005) 5.725 1.551 ( 1.275 -0.000 2.765) 3.045 1.587 ( 0.270 -0.000 -0.245) 0.365 1.622 ( -0.683 0.000 -2.867) 2.947 1.693 ( -4.379 0.000 -1.724) 4.706 1.721 ( 0.530 -0.000 2.055) 2.122 1.903 ( -2.376 0.000 2.887) 3.739 1.977 ( 3.377 -0.000 -3.906) 5.164 2.159 ( -4.929 0.000 -5.541) 7.416 2.182 ( 6.386 -0.000 -1.603) 6.584 2.264 ( 2.811 -0.000 2.328) 3.650 2.297 ( 0.319 -0.000 5.830) 5.839 2.327 ( -0.107 0.000 -3.669) 3.670 2.402 ( 0.812 -0.000 -0.395) 0.903 2.450 ( 0.419 -0.000 0.064) 0.424 2.479 ( 2.414 -0.000 1.672) 2.937 2.885 ( 6.687 -0.000 -12.762) 14.407 2.897 ( 1.000 -0.000 -2.883) 3.052 3.219 ( -1.064 0.000 -0.705) 1.276 3.460 ( -0.194 0.000 -4.329) 4.333 3.545 ( -0.699 0.000 10.085) 10.109 3.644 ( 1.135 -0.000 4.867) 4.997 3.702 ( 2.804 -0.000 -0.227) 2.814 3.931 ( 0.190 -0.000 2.288) 2.296 3.943 ( 3.149 -0.000 -4.689) 5.649 4.201 ( -4.266 0.000 3.901) 5.781 4.450 ( -1.050 0.000 0.177) 1.065 4.962 ( 1.086 -0.000 -1.817) 2.116 5.078 ( -1.212 0.000 -0.677) 1.388 7.190 ( 1.340 -0.000 -1.982) 2.392 7.788 ( -2.377 0.000 3.775) 4.461 8.318 ( -3.862 0.000 1.038) 3.999 9.153 ( -0.488 0.000 -0.065) 0.492 9.467 ( -0.240 0.000 -0.280) 0.369 9.489 ( -0.076 0.000 1.943) 1.945 10.040 ( 0.707 -0.000 -2.753) 2.842 10.123 ( 3.672 -0.000 -3.860) 5.328 ======================= Grid point 77 (36/88) ======================= q-point: (-0.43 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.666 ( -2.590 -4.088 2.929) 5.656 0.949 ( -6.781 10.127 2.231) 12.390 1.125 ( -5.244 4.759 2.774) 7.605 1.203 ( -0.555 -3.775 2.578) 4.605 1.322 ( -1.574 -2.221 1.801) 3.264 1.510 ( 3.801 1.391 -2.420) 4.716 1.569 ( -1.078 2.777 0.278) 2.992 1.594 ( 2.149 2.476 1.747) 3.715 1.647 ( -2.249 -2.733 -1.955) 4.043 1.701 ( -1.541 -0.578 -0.461) 1.709 1.729 ( 5.001 -7.826 3.452) 9.908 1.856 ( -0.846 4.524 2.362) 5.173 2.000 ( -2.144 -1.368 -2.905) 3.861 2.053 ( 1.155 4.736 -2.011) 5.273 2.189 ( -2.129 9.438 -0.487) 9.688 2.247 ( 2.438 0.893 -4.806) 5.462 2.321 ( -3.516 -4.720 0.896) 5.954 2.348 ( 0.512 -0.226 3.138) 3.188 2.388 ( 0.954 -0.449 -0.132) 1.063 2.497 ( 1.004 -0.884 2.415) 2.761 2.571 ( 1.570 -6.303 0.122) 6.496 2.891 ( 2.673 1.152 -6.354) 6.989 2.951 ( 4.702 -2.111 -11.742) 12.823 3.192 ( -2.495 -1.934 -2.745) 4.183 3.446 ( -0.651 -0.456 -3.479) 3.569 3.519 ( -5.793 0.002 7.982) 9.862 3.668 ( 0.766 1.150 4.917) 5.107 3.771 ( 3.769 -0.245 3.229) 4.969 3.967 ( 2.461 -0.357 4.556) 5.190 3.984 ( 3.146 -0.575 -2.992) 4.380 4.132 ( -5.200 0.383 2.363) 5.724 4.484 ( 4.693 0.286 3.779) 6.032 4.953 ( -1.292 -0.342 -2.869) 3.165 5.045 ( -1.730 0.534 -2.764) 3.304 7.205 ( 1.185 0.007 -1.905) 2.243 7.784 ( -0.239 -1.073 4.505) 4.637 8.284 ( -0.453 0.807 2.248) 2.432 9.151 ( 0.455 0.156 -0.197) 0.520 9.476 ( 1.207 0.299 1.094) 1.656 9.499 ( 0.145 -0.733 1.952) 2.091 10.003 ( -1.148 3.639 -3.683) 5.304 10.158 ( 0.103 -2.782 -5.307) 5.993 ======================= Grid point 78 (37/88) ======================= q-point: (-0.29 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.709 ( 5.755 3.563 3.278) 7.521 0.822 ( 0.244 4.089 -3.007) 5.081 1.065 ( 3.661 2.134 2.286) 4.815 1.243 ( -0.234 -4.389 0.975) 4.502 1.360 ( -1.185 0.893 -0.652) 1.621 1.478 ( -3.191 0.494 2.220) 3.919 1.519 ( -0.055 0.340 0.216) 0.406 1.621 ( 3.368 3.300 0.507) 4.743 1.629 ( -1.560 -0.623 -0.514) 1.757 1.698 ( 1.166 -0.297 2.568) 2.836 1.811 ( 2.007 5.150 2.495) 6.065 1.887 ( 0.480 -7.346 -2.547) 7.790 1.986 ( 1.859 0.163 4.885) 5.229 2.050 ( 1.660 4.417 -4.446) 6.483 2.099 ( 1.212 1.727 0.306) 2.132 2.218 ( -3.449 -0.153 -2.329) 4.164 2.292 ( 0.055 0.285 -3.907) 3.918 2.383 ( -0.749 -1.312 2.904) 3.273 2.407 ( 0.762 1.640 2.027) 2.716 2.483 ( -2.503 0.009 -0.135) 2.507 2.595 ( -1.961 -0.317 -3.306) 3.857 2.938 ( 1.996 -3.514 -1.547) 4.327 2.988 ( 1.428 -0.987 -11.475) 11.605 3.170 ( -2.698 -3.342 -2.639) 5.041 3.402 ( -3.389 1.100 3.213) 4.798 3.466 ( -3.341 -1.653 2.748) 4.632 3.677 ( 0.226 1.540 4.500) 4.762 3.823 ( 0.807 -0.927 1.999) 2.346 4.001 ( -2.895 -0.653 -1.503) 3.327 4.032 ( 2.331 -1.021 4.269) 4.970 4.085 ( 2.018 1.542 0.753) 2.649 4.594 ( 7.232 1.015 4.469) 8.562 4.910 ( -3.535 -0.421 -3.336) 4.879 5.011 ( -0.690 -0.637 -2.756) 2.912 7.211 ( 0.167 -0.084 -1.499) 1.511 7.830 ( 0.174 -3.775 5.798) 6.921 8.309 ( 4.861 1.640 0.708) 5.179 9.162 ( 1.067 0.200 0.394) 1.155 9.493 ( 0.393 0.168 1.694) 1.747 9.534 ( 2.411 -1.215 1.616) 3.147 9.918 ( -2.600 3.991 -3.620) 5.983 10.137 ( -3.585 -2.016 -6.163) 7.409 ======================= Grid point 79 (38/88) ======================= q-point: (-0.14 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.803 ( 10.184 6.586 0.098) 12.128 0.850 ( 7.085 -0.929 -0.005) 7.146 1.150 ( 2.421 -2.235 0.088) 3.296 1.222 ( -3.049 3.193 0.229) 4.421 1.323 ( -0.714 -3.059 -2.107) 3.782 1.455 ( -1.319 -5.602 1.371) 5.916 1.571 ( 2.815 2.236 1.595) 3.933 1.615 ( -1.009 -0.253 -1.767) 2.050 1.667 ( 4.439 -1.705 5.039) 6.928 1.718 ( 1.862 1.938 1.326) 2.997 1.844 ( 6.735 4.835 3.498) 8.998 1.918 ( -1.679 -4.204 0.741) 4.588 2.008 ( -5.042 -3.502 -3.179) 6.913 2.026 ( 3.585 3.647 -2.388) 5.644 2.134 ( 2.784 -0.925 0.054) 2.934 2.182 ( 0.243 1.058 0.475) 1.185 2.281 ( -0.508 1.648 -4.916) 5.210 2.323 ( -1.932 3.356 1.091) 4.023 2.406 ( -1.354 0.155 1.200) 1.816 2.464 ( -0.110 1.281 1.428) 1.921 2.548 ( -0.323 1.253 -2.911) 3.186 2.877 ( -11.021 -0.292 -2.637) 11.335 2.995 ( -0.555 -2.436 -1.574) 2.953 3.162 ( -1.331 -2.878 -0.675) 3.242 3.399 ( 2.613 -0.036 -0.652) 2.693 3.447 ( -1.315 -0.791 2.574) 2.997 3.668 ( -0.721 2.206 4.110) 4.720 3.828 ( -2.716 -1.825 0.115) 3.274 3.943 ( -2.892 -0.700 -3.626) 4.690 4.080 ( 0.756 -1.045 1.716) 2.147 4.121 ( 3.107 1.575 2.301) 4.175 4.701 ( 7.088 2.675 2.149) 7.875 4.828 ( -4.948 0.163 -4.935) 6.990 5.030 ( 0.520 -3.027 0.945) 3.214 7.204 ( -0.420 -0.005 -1.374) 1.436 7.879 ( -2.733 -4.753 6.477) 8.486 8.401 ( 7.714 0.800 -2.965) 8.303 9.179 ( 0.814 0.181 1.266) 1.516 9.497 ( -0.276 -0.039 0.951) 0.991 9.607 ( 3.792 -1.858 0.650) 4.272 9.823 ( -2.921 3.188 -2.656) 5.074 10.060 ( -4.542 -0.447 -4.488) 6.401 ======================= Grid point 84 (39/88) ======================= q-point: (-0.43 0.57 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.669 ( 4.009 -0.000 -0.810) 4.090 0.954 ( 1.799 -0.000 -0.503) 1.868 1.077 ( 0.220 -0.000 -2.961) 2.969 1.203 ( -1.452 0.000 1.984) 2.459 1.362 ( 8.017 -0.000 5.880) 9.942 1.482 ( -6.356 0.000 0.859) 6.414 1.512 ( -8.084 0.000 -5.998) 10.066 1.620 ( 0.758 -0.000 1.499) 1.680 1.661 ( -1.792 0.000 -1.385) 2.265 1.698 ( 5.030 -0.000 0.154) 5.032 1.769 ( 3.464 -0.000 -0.156) 3.467 1.900 ( 1.538 -0.000 3.434) 3.763 1.967 ( 2.081 -0.000 1.766) 2.730 2.108 ( 2.866 -0.000 -2.547) 3.834 2.122 ( -8.001 0.000 -1.846) 8.211 2.286 ( 0.206 -0.000 3.450) 3.456 2.301 ( 1.863 -0.000 -3.445) 3.916 2.310 ( -1.098 0.000 -2.803) 3.010 2.448 ( 2.902 -0.000 4.437) 5.302 2.484 ( -3.265 0.000 1.181) 3.472 2.566 ( 1.183 -0.000 1.594) 1.985 2.892 ( -0.406 0.000 -2.906) 2.934 2.975 ( 3.031 -0.000 -12.926) 13.277 3.131 ( -1.805 0.000 -3.156) 3.636 3.430 ( -0.071 0.000 -3.680) 3.680 3.431 ( -6.906 0.000 8.654) 11.072 3.693 ( -0.274 0.000 4.655) 4.663 3.815 ( 0.164 -0.000 2.636) 2.641 3.994 ( -2.323 0.000 -2.471) 3.391 4.020 ( 2.211 -0.000 4.600) 5.104 4.103 ( 2.383 -0.000 1.575) 2.857 4.606 ( 7.771 -0.000 5.527) 9.536 4.903 ( -3.290 0.000 -3.764) 4.999 5.005 ( -1.899 0.000 -3.545) 4.022 7.210 ( 0.210 -0.000 -1.512) 1.527 7.792 ( 0.124 -0.000 4.048) 4.050 8.328 ( 4.651 -0.000 1.018) 4.761 9.164 ( 1.006 -0.000 0.359) 1.068 9.499 ( -0.216 0.000 2.281) 2.291 9.516 ( 2.669 -0.000 1.520) 3.071 9.976 ( -2.899 0.000 -4.982) 5.764 10.099 ( -3.228 0.000 -4.544) 5.574 ======================= Grid point 86 (40/88) ======================= q-point: (-0.29 0.57 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.745 ( 1.846 -4.820 -3.717) 6.360 0.988 ( 10.183 9.293 -4.114) 14.386 1.152 ( 5.775 -2.373 -3.157) 6.996 1.231 ( 2.140 -2.107 1.452) 3.336 1.325 ( -6.847 3.881 -2.462) 8.246 1.364 ( -7.097 -2.266 0.084) 7.451 1.552 ( 7.128 -3.480 4.435) 9.088 1.617 ( -0.682 1.039 1.037) 1.619 1.642 ( -0.442 -0.603 -0.297) 0.804 1.749 ( 2.334 0.759 0.178) 2.461 1.798 ( -1.562 -3.615 -3.013) 4.959 1.872 ( -5.708 -0.564 -1.521) 5.934 2.031 ( 5.016 2.021 2.032) 5.776 2.088 ( 2.566 -1.319 2.753) 3.988 2.138 ( 3.273 2.478 -0.139) 4.108 2.231 ( 0.208 4.631 0.417) 4.654 2.324 ( 1.625 1.566 -3.309) 4.005 2.350 ( -0.213 -3.870 2.807) 4.786 2.395 ( -4.870 2.093 -0.363) 5.313 2.489 ( 1.484 0.483 1.999) 2.536 2.577 ( -0.307 1.168 0.513) 1.312 2.871 ( -5.736 -0.435 -3.184) 6.575 2.919 ( -4.691 -3.106 -2.759) 6.266 3.122 ( 0.789 -0.903 -1.056) 1.597 3.403 ( 1.897 0.493 0.971) 2.187 3.424 ( -0.221 -1.163 0.193) 1.199 3.694 ( -1.091 0.338 4.287) 4.436 3.797 ( -3.428 -0.710 1.956) 4.010 3.934 ( -2.432 -0.160 -5.614) 6.120 4.061 ( 1.036 -0.575 2.440) 2.713 4.160 ( 3.083 1.368 2.718) 4.331 4.746 ( 7.892 1.329 3.814) 8.865 4.826 ( -4.818 -0.273 -3.862) 6.181 4.981 ( -0.388 -1.304 -1.634) 2.126 7.204 ( -0.286 0.018 -1.390) 1.419 7.810 ( -0.816 -1.698 4.023) 4.442 8.426 ( 7.549 0.943 -1.434) 7.741 9.182 ( 0.804 0.080 1.249) 1.487 9.501 ( -0.236 0.240 1.862) 1.892 9.573 ( 3.158 -1.063 0.909) 3.454 9.891 ( -3.444 2.741 -4.186) 6.074 10.027 ( -5.145 -1.956 -4.194) 6.920 ======================= Grid point 87 (41/88) ======================= q-point: (-0.14 -0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.781 ( -3.154 -6.441 -3.003) 7.775 1.063 ( 7.610 3.723 -4.491) 9.589 1.142 ( -6.980 -2.064 -0.392) 7.290 1.202 ( -0.283 0.928 0.868) 1.302 1.286 ( 1.486 2.497 1.437) 3.242 1.442 ( 7.348 -6.994 -3.332) 10.677 1.589 ( -0.758 1.147 -0.131) 1.381 1.628 ( 0.134 0.990 0.202) 1.019 1.686 ( 0.846 -2.437 2.717) 3.747 1.730 ( -6.307 -3.366 -2.934) 7.727 1.809 ( 1.852 0.758 0.045) 2.002 1.841 ( 1.289 -4.690 -0.167) 4.867 2.093 ( 2.870 1.407 -0.784) 3.291 2.127 ( 2.556 3.871 1.173) 4.784 2.181 ( 3.005 0.174 0.673) 3.085 2.193 ( -1.665 1.605 -0.497) 2.366 2.256 ( -2.735 2.403 0.840) 3.736 2.365 ( 2.935 2.673 -2.093) 4.488 2.375 ( -1.035 -1.137 2.334) 2.795 2.517 ( 1.556 2.248 2.614) 3.782 2.552 ( -0.958 -0.546 1.324) 1.723 2.680 ( -10.260 3.003 1.379) 10.779 2.928 ( -1.494 -4.417 -1.943) 5.051 3.159 ( 2.463 -0.491 0.988) 2.698 3.407 ( -0.104 -0.552 -1.901) 1.982 3.491 ( 4.974 0.179 1.004) 5.077 3.677 ( -1.969 0.866 4.005) 4.546 3.751 ( -3.813 -1.607 0.672) 4.192 3.896 ( -0.080 -0.588 -6.902) 6.927 4.072 ( -0.950 -0.281 -0.652) 1.186 4.183 ( 1.267 1.855 3.381) 4.059 4.730 ( -5.339 0.088 -4.108) 6.737 4.846 ( 6.232 2.427 -0.636) 6.718 5.010 ( 0.421 -2.627 3.027) 4.030 7.192 ( -0.455 0.111 -1.862) 1.920 7.825 ( -1.596 -2.229 4.403) 5.187 8.514 ( 5.811 2.312 -3.830) 7.333 9.192 ( -0.203 0.206 1.906) 1.928 9.497 ( -0.311 0.431 0.777) 0.942 9.634 ( 1.627 -1.467 -2.236) 3.130 9.804 ( -1.749 1.984 -0.786) 2.760 9.964 ( -3.786 -2.936 -3.171) 5.745 ======================= Grid point 93 (42/88) ======================= q-point: (-0.29 -0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.696 ( -3.614 0.000 -4.939) 6.120 1.096 ( -11.332 0.000 -6.932) 13.284 1.140 ( 0.682 -0.000 -2.210) 2.313 1.233 ( 0.170 -0.000 1.135) 1.147 1.315 ( 10.592 -0.000 -5.533) 11.951 1.341 ( 4.871 -0.000 2.821) 5.629 1.604 ( -2.715 0.000 1.368) 3.040 1.631 ( -3.049 0.000 1.044) 3.223 1.653 ( 2.321 -0.000 0.772) 2.446 1.738 ( -3.034 0.000 -2.448) 3.898 1.744 ( 1.834 -0.000 0.787) 1.996 1.830 ( 3.073 -0.000 0.044) 3.074 2.119 ( 0.502 -0.000 2.211) 2.267 2.122 ( 4.061 -0.000 -2.088) 4.566 2.194 ( 1.693 -0.000 -0.444) 1.750 2.230 ( -4.302 0.000 -0.916) 4.399 2.288 ( -4.140 0.000 0.951) 4.248 2.350 ( 1.973 -0.000 4.569) 4.976 2.405 ( 4.071 -0.000 -3.661) 5.475 2.517 ( 1.505 -0.000 2.570) 2.978 2.562 ( -7.046 0.000 3.728) 7.971 2.754 ( -5.044 0.000 2.978) 5.858 2.842 ( -0.291 0.000 -3.116) 3.129 3.154 ( 3.153 -0.000 0.513) 3.194 3.401 ( -0.329 0.000 -2.031) 2.058 3.493 ( 5.986 -0.000 0.976) 6.065 3.682 ( -2.060 0.000 3.673) 4.211 3.728 ( -4.283 0.000 1.556) 4.557 3.891 ( -0.142 0.000 -7.924) 7.926 4.067 ( -0.423 0.000 -0.206) 0.471 4.212 ( 1.185 -0.000 3.720) 3.905 4.729 ( -5.431 0.000 -2.565) 6.006 4.873 ( 5.492 -0.000 -2.756) 6.145 4.980 ( 1.481 -0.000 3.695) 3.981 7.194 ( -0.361 0.000 -1.955) 1.988 7.801 ( -0.700 0.000 3.558) 3.626 8.545 ( 7.280 -0.000 -3.287) 7.988 9.195 ( -0.049 0.000 2.051) 2.052 9.504 ( -0.220 0.000 1.760) 1.774 9.609 ( 1.978 -0.000 -2.158) 2.928 9.846 ( -2.453 0.000 -2.732) 3.672 9.912 ( -5.992 0.000 -2.902) 6.658 ======================= Grid point 94 (43/88) ======================= q-point: (-0.14 -0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.608 ( -8.269 -6.650 -1.961) 10.791 0.856 ( -16.193 -4.184 -6.474) 17.934 1.174 ( 2.654 -1.969 2.586) 4.196 1.235 ( 1.827 2.300 -1.074) 3.127 1.388 ( 1.182 5.810 0.045) 5.929 1.476 ( 4.649 -3.995 -4.106) 7.378 1.500 ( -9.891 -3.141 3.066) 10.821 1.605 ( 1.782 -0.098 0.093) 1.788 1.660 ( -2.712 2.165 -0.708) 3.542 1.712 ( 2.861 -0.973 1.458) 3.355 1.788 ( -4.399 -4.201 0.517) 6.105 1.867 ( 2.501 1.519 -0.104) 2.928 2.094 ( -3.648 0.512 2.029) 4.206 2.130 ( -3.349 -0.594 -2.162) 4.031 2.186 ( 1.564 1.614 -0.194) 2.256 2.218 ( 3.450 -0.206 -2.312) 4.158 2.266 ( 0.381 0.470 1.214) 1.356 2.383 ( -4.161 2.165 3.200) 5.679 2.426 ( -3.245 -1.286 3.771) 5.138 2.450 ( 5.230 2.775 -2.759) 6.532 2.581 ( 4.134 -2.218 2.669) 5.398 2.733 ( 3.669 5.017 0.580) 6.242 2.868 ( 0.320 -3.621 -2.488) 4.405 3.208 ( 2.883 -0.005 0.568) 2.939 3.401 ( 0.866 -0.513 -0.628) 1.187 3.546 ( -0.739 0.571 3.832) 3.945 3.658 ( -2.267 -0.545 3.172) 3.937 3.725 ( 3.429 -0.233 -0.815) 3.533 3.878 ( 1.507 -0.670 -7.206) 7.392 4.041 ( -2.324 0.198 -2.394) 3.342 4.230 ( 0.901 1.765 4.668) 5.071 4.642 ( -4.340 0.570 -1.965) 4.798 4.902 ( 1.005 -0.958 -7.161) 7.294 5.037 ( 2.172 0.565 6.219) 6.612 7.179 ( -0.412 0.130 -3.109) 3.139 7.807 ( -0.763 -0.663 4.371) 4.486 8.614 ( 4.368 3.961 -4.502) 7.419 9.191 ( -1.128 0.502 2.414) 2.712 9.502 ( -0.212 0.839 0.644) 1.079 9.608 ( -1.626 -0.641 -6.203) 6.444 9.804 ( -0.293 -0.253 1.029) 1.099 9.855 ( -3.120 -4.875 -2.375) 6.257 ======================= Grid point 101 (44/88) ======================= q-point: (-0.14 -0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.407 ( -10.057 0.000 3.336) 10.596 0.542 ( -16.336 0.000 -1.484) 16.403 1.193 ( -0.085 0.000 1.168) 1.171 1.206 ( -23.145 0.000 10.691) 25.495 1.287 ( 3.692 -0.000 1.740) 4.081 1.404 ( -3.876 0.000 -9.358) 10.129 1.495 ( -0.265 0.000 -1.698) 1.719 1.623 ( 0.344 -0.000 0.244) 0.421 1.681 ( -1.998 0.000 -1.009) 2.238 1.691 ( 4.152 -0.000 2.958) 5.098 1.765 ( 2.814 -0.000 4.477) 5.288 1.943 ( 5.825 -0.000 0.787) 5.878 2.017 ( -7.588 0.000 -5.417) 9.324 2.018 ( -7.624 0.000 6.183) 9.816 2.215 ( -0.948 0.000 -0.573) 1.107 2.239 ( 1.402 -0.000 -3.381) 3.660 2.290 ( -5.379 0.000 1.199) 5.511 2.322 ( 3.786 -0.000 1.886) 4.230 2.477 ( 3.737 -0.000 0.368) 3.755 2.599 ( 12.838 -0.000 -4.222) 13.514 2.640 ( 3.483 -0.000 3.541) 4.967 2.781 ( 0.042 -0.000 -4.941) 4.941 2.857 ( 1.707 -0.000 -1.777) 2.465 3.243 ( 1.588 -0.000 -0.106) 1.591 3.421 ( 1.734 -0.000 -0.053) 1.734 3.551 ( -0.131 0.000 8.885) 8.886 3.620 ( -2.603 0.000 2.446) 3.572 3.780 ( 1.224 -0.000 -2.759) 3.019 3.909 ( 6.155 -0.000 -4.395) 7.563 3.991 ( -2.808 0.000 -1.979) 3.436 4.292 ( 3.822 -0.000 7.675) 8.574 4.596 ( -1.886 0.000 -0.340) 1.917 4.839 ( -4.046 0.000 -11.834) 12.506 5.078 ( -0.517 0.000 3.902) 3.936 7.162 ( -0.077 0.000 -4.359) 4.359 7.808 ( -0.933 0.000 6.446) 6.513 8.697 ( 4.006 -0.000 -6.339) 7.499 9.185 ( -1.240 0.000 2.772) 3.036 9.514 ( 0.474 -0.000 0.690) 0.837 9.527 ( -4.424 0.000 -8.342) 9.443 9.721 ( -4.734 0.000 -1.030) 4.845 9.832 ( 0.678 -0.000 1.612) 1.749 ======================= Grid point 102 (45/88) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.730 ( 5.529 -0.000 15.789) 16.729 0.793 ( -13.026 0.000 16.113) 20.719 1.153 ( 0.617 -0.000 -1.582) 1.698 1.166 ( 11.540 -0.000 15.420) 19.260 1.343 ( 6.502 -0.000 1.794) 6.745 1.362 ( -2.876 0.000 -7.770) 8.285 1.500 ( -3.332 0.000 2.304) 4.051 1.575 ( -3.384 0.000 -0.555) 3.429 1.664 ( -2.670 0.000 1.008) 2.854 1.679 ( 1.236 -0.000 5.430) 5.569 1.842 ( -1.903 0.000 0.974) 2.137 1.942 ( 0.875 -0.000 6.632) 6.689 2.000 ( 3.363 -0.000 -1.447) 3.661 2.074 ( 2.222 -0.000 1.104) 2.481 2.104 ( -0.728 0.000 -6.065) 6.108 2.194 ( -0.018 0.000 1.356) 1.356 2.196 ( 1.930 -0.000 -2.328) 3.023 2.309 ( -4.880 0.000 -8.947) 10.192 2.364 ( -4.692 0.000 0.975) 4.792 2.542 ( 0.934 -0.000 -12.081) 12.117 2.552 ( -3.643 0.000 -2.157) 4.234 2.728 ( 5.355 -0.000 -10.494) 11.782 2.979 ( 1.252 -0.000 1.554) 1.996 3.307 ( -0.288 0.000 -0.402) 0.495 3.329 ( 0.036 -0.000 -1.618) 1.619 3.650 ( -0.734 0.000 2.209) 2.328 3.656 ( -3.766 0.000 6.532) 7.540 3.942 ( 6.689 -0.000 1.669) 6.894 4.009 ( 0.958 -0.000 0.085) 0.962 4.087 ( 3.124 -0.000 3.874) 4.977 4.169 ( -9.967 0.000 0.039) 9.967 4.517 ( -0.505 0.000 -2.229) 2.285 4.921 ( 11.285 -0.000 0.823) 11.315 4.964 ( -7.149 0.000 -1.001) 7.219 7.191 ( 1.892 -0.000 -1.259) 2.273 8.077 ( 6.044 -0.000 -0.105) 6.045 8.484 ( -6.667 0.000 1.416) 6.816 9.133 ( 0.259 -0.000 -0.036) 0.261 9.546 ( 0.013 -0.000 0.223) 0.224 9.617 ( 0.098 -0.000 -0.306) 0.322 9.752 ( 9.764 -0.000 0.070) 9.764 9.799 ( -3.322 0.000 -0.887) 3.438 ======================= Grid point 103 (46/88) ======================= q-point: ( 0.14 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.700 ( -2.658 -0.612 13.369) 13.644 0.885 ( 7.215 0.291 13.079) 14.940 1.179 ( 2.992 -0.124 -0.824) 3.106 1.243 ( -6.079 0.985 -8.300) 10.335 1.385 ( 5.276 -1.545 -3.097) 6.310 1.466 ( 0.535 2.526 3.097) 4.032 1.515 ( 8.389 -2.266 13.470) 16.030 1.580 ( 2.910 -5.162 2.878) 6.588 1.656 ( 2.272 1.456 1.091) 2.911 1.724 ( 0.280 -1.929 4.503) 4.907 1.806 ( -1.890 0.577 1.883) 2.730 1.943 ( -0.145 4.245 3.992) 5.829 2.032 ( 2.136 0.293 -4.004) 4.548 2.068 ( 0.045 0.558 -5.992) 6.018 2.123 ( 1.583 2.097 -0.383) 2.655 2.177 ( -3.096 2.048 -0.434) 3.737 2.201 ( -1.308 -3.033 -3.355) 4.708 2.223 ( -1.077 -1.166 -2.785) 3.206 2.328 ( -1.809 -3.509 -0.932) 4.056 2.465 ( -1.120 2.677 -5.162) 5.922 2.513 ( -3.268 -1.305 -0.613) 3.572 2.786 ( 5.653 0.354 -10.238) 11.701 2.981 ( -1.461 -0.709 0.296) 1.651 3.279 ( -1.627 1.475 -0.497) 2.251 3.349 ( 1.030 -1.374 -1.130) 2.056 3.606 ( -3.760 0.989 5.411) 6.663 3.664 ( -0.701 -2.301 3.605) 4.334 3.920 ( -8.474 1.425 -0.732) 8.624 3.977 ( -2.794 -0.736 -2.887) 4.084 4.124 ( 0.459 0.444 1.199) 1.359 4.157 ( 5.991 1.878 6.283) 8.883 4.538 ( 3.683 -1.040 -1.185) 4.006 4.837 ( -7.807 -0.416 -3.029) 8.385 5.063 ( 6.496 0.804 0.070) 6.546 7.192 ( -0.381 0.406 -1.569) 1.665 8.170 ( 6.320 2.058 -5.233) 8.459 8.346 ( -8.376 2.200 6.640) 10.912 9.159 ( 2.338 -0.090 0.144) 2.344 9.532 ( -1.311 0.089 0.378) 1.368 9.623 ( 2.874 3.675 -0.590) 4.703 9.735 ( -3.442 -2.858 -2.193) 4.983 9.911 ( 5.026 -3.354 -2.898) 6.701 ======================= Grid point 104 (47/88) ======================= q-point: ( 0.29 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.794 ( 8.935 0.578 3.483) 9.607 0.984 ( 1.941 3.517 5.022) 6.431 1.133 ( -0.978 -0.839 -3.398) 3.634 1.276 ( 5.368 -0.170 6.586) 8.498 1.350 ( -6.166 -0.721 -6.369) 8.894 1.501 ( 5.905 2.853 -0.233) 6.562 1.599 ( -0.413 1.903 2.048) 2.826 1.630 ( -0.816 0.506 0.754) 1.221 1.713 ( -1.170 -2.192 3.219) 4.066 1.812 ( 4.380 -4.062 6.594) 8.898 1.892 ( 7.884 -3.487 1.647) 8.776 1.906 ( 1.608 3.821 0.643) 4.195 1.964 ( -4.941 3.699 -5.245) 8.100 2.040 ( -2.792 6.548 -2.792) 7.647 2.084 ( 1.235 -0.534 -2.110) 2.503 2.132 ( 0.935 -3.508 -2.060) 4.174 2.240 ( 0.823 -2.018 2.182) 3.083 2.251 ( 2.103 -0.700 1.832) 2.875 2.336 ( -1.038 -3.708 -2.965) 4.860 2.460 ( 0.637 -2.234 -0.780) 2.451 2.488 ( -0.868 -0.864 2.923) 3.169 2.795 ( -0.202 1.848 -6.906) 7.152 2.966 ( -1.065 -0.946 -1.772) 2.274 3.232 ( -1.119 2.359 0.867) 2.751 3.373 ( 0.995 -0.701 -0.830) 1.473 3.547 ( -4.057 0.784 4.090) 5.814 3.699 ( -0.651 -3.107 3.921) 5.045 3.780 ( -5.572 0.524 -3.179) 6.436 3.901 ( -5.727 -0.666 -2.698) 6.365 4.098 ( -2.642 0.282 -1.281) 2.950 4.246 ( 5.629 4.626 5.865) 9.354 4.624 ( 2.759 -1.386 -3.529) 4.690 4.728 ( -3.531 -2.464 -1.727) 4.639 5.122 ( 2.777 1.872 1.147) 3.540 7.174 ( -0.570 0.252 -1.607) 1.724 8.109 ( -5.242 5.625 -0.053) 7.689 8.326 ( 2.826 -1.335 0.953) 3.268 9.198 ( 2.029 -0.076 0.717) 2.153 9.512 ( -0.967 0.422 0.306) 1.099 9.602 ( -1.228 0.976 -3.054) 3.433 9.751 ( 1.906 -2.173 -0.111) 2.893 9.966 ( 0.902 -0.784 -2.965) 3.197 ======================= Grid point 105 (48/88) ======================= q-point: ( 0.43 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.887 ( 2.303 4.466 -5.751) 7.637 0.978 ( 3.953 3.394 2.449) 5.757 1.168 ( 0.514 -0.463 -0.255) 0.737 1.228 ( -4.701 -1.562 -3.611) 6.130 1.365 ( 4.123 3.886 8.169) 9.942 1.532 ( 3.908 4.809 -1.215) 6.315 1.570 ( -0.356 0.933 -0.710) 1.225 1.636 ( 0.858 -1.879 -0.185) 2.073 1.718 ( -3.807 -2.084 4.261) 6.082 1.802 ( -3.923 4.094 -1.582) 5.886 1.854 ( -1.435 3.273 1.259) 3.789 1.927 ( 2.080 2.947 -1.840) 4.049 1.970 ( 3.739 -1.879 -2.217) 4.735 2.019 ( -1.153 -3.762 -2.596) 4.714 2.118 ( 2.095 -0.975 -1.124) 2.570 2.191 ( 0.581 -2.794 1.347) 3.156 2.263 ( -0.753 -1.420 1.425) 2.148 2.301 ( 2.770 -0.436 -0.378) 2.830 2.387 ( 3.140 -1.771 0.939) 3.726 2.475 ( 0.049 -3.308 -0.301) 3.322 2.542 ( 1.320 -2.536 3.074) 4.198 2.715 ( -4.214 1.797 1.118) 4.716 2.931 ( -2.864 0.847 -2.893) 4.158 3.215 ( 0.722 1.110 1.589) 2.069 3.391 ( 1.229 0.266 -0.551) 1.373 3.517 ( 0.805 0.129 1.255) 1.497 3.680 ( -2.411 -0.608 -2.902) 3.822 3.748 ( -2.245 -1.166 2.267) 3.397 3.830 ( -1.991 -1.665 -1.384) 2.942 4.044 ( -2.959 -0.176 -1.366) 3.263 4.265 ( 1.413 4.744 2.865) 5.720 4.572 ( -4.393 -1.741 -6.344) 7.911 4.806 ( 4.778 -2.263 0.625) 5.324 5.130 ( 0.455 1.924 2.165) 2.931 7.158 ( -0.638 0.253 -1.330) 1.497 7.983 ( -3.973 3.568 1.900) 5.668 8.388 ( 2.532 -1.852 -1.673) 3.556 9.223 ( 0.383 -0.109 1.197) 1.262 9.495 ( -0.642 0.405 -0.254) 0.800 9.563 ( -2.193 -0.854 -2.784) 3.645 9.813 ( 3.567 -0.333 0.662) 3.643 9.953 ( -0.604 1.604 -2.465) 3.003 ======================= Grid point 106 (49/88) ======================= q-point: (-0.43 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.792 ( -4.204 7.621 -4.133) 9.635 0.921 ( -2.425 7.699 3.128) 8.657 1.166 ( 0.432 -1.410 -1.549) 2.138 1.229 ( -2.032 -3.229 -2.125) 4.367 1.394 ( 4.173 5.712 6.614) 9.684 1.531 ( 1.760 3.934 -0.594) 4.350 1.603 ( 0.471 -1.495 0.602) 1.679 1.621 ( -0.733 -0.822 0.049) 1.102 1.671 ( -2.587 1.018 3.240) 4.269 1.765 ( 0.121 2.342 2.173) 3.197 1.812 ( -2.611 -0.975 0.799) 2.899 1.905 ( -1.242 1.325 -0.086) 1.819 2.010 ( 0.498 -1.105 -4.292) 4.460 2.059 ( 2.811 -2.098 -3.704) 5.101 2.130 ( 0.128 0.624 -0.818) 1.036 2.211 ( 0.210 -1.230 -0.627) 1.396 2.263 ( -1.518 -1.947 0.462) 2.511 2.333 ( -0.069 -0.394 -1.470) 1.523 2.428 ( 2.158 0.229 1.709) 2.763 2.494 ( -7.881 -0.805 3.725) 8.754 2.548 ( 2.913 -4.235 -3.065) 5.985 2.734 ( 3.110 -0.736 4.632) 5.628 2.855 ( -2.632 1.545 -3.639) 4.749 3.229 ( 1.145 0.302 0.732) 1.392 3.408 ( 1.715 0.488 -0.219) 1.797 3.578 ( 4.991 -0.821 0.348) 5.070 3.658 ( -0.476 -1.288 -2.840) 3.154 3.730 ( 0.367 -0.261 1.681) 1.740 3.834 ( 0.249 0.988 0.006) 1.019 4.004 ( -1.940 0.013 0.198) 1.950 4.257 ( 1.154 -0.945 1.623) 2.205 4.514 ( -3.643 -2.007 -3.818) 5.646 4.861 ( 1.421 2.056 -2.023) 3.215 5.125 ( -0.687 -0.099 2.715) 2.802 7.138 ( -0.869 0.557 -0.929) 1.389 7.929 ( -0.956 0.812 3.301) 3.531 8.434 ( 0.952 -3.028 -2.518) 4.052 9.220 ( -1.574 -0.456 1.369) 2.136 9.481 ( -0.607 0.062 -0.706) 0.933 9.536 ( -1.222 -0.649 -1.048) 1.736 9.865 ( 3.351 1.743 0.178) 3.781 9.902 ( -1.134 3.666 -2.173) 4.410 ======================= Grid point 107 (50/88) ======================= q-point: (-0.29 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.614 ( -5.663 5.376 3.461) 8.541 0.844 ( 1.698 10.551 11.192) 15.475 1.164 ( -2.016 -2.204 -1.682) 3.429 1.214 ( -0.485 -0.859 -3.650) 3.781 1.436 ( 3.732 3.309 4.910) 6.999 1.485 ( -4.140 2.480 4.613) 6.676 1.526 ( -7.749 4.913 3.886) 9.964 1.627 ( -7.544 -2.435 -3.023) 8.484 1.663 ( -0.685 -1.532 5.740) 5.980 1.725 ( 5.308 -0.699 0.100) 5.355 1.860 ( 4.259 0.251 2.252) 4.825 1.877 ( -2.573 -0.464 -0.574) 2.677 1.985 ( -1.043 1.455 -2.509) 3.082 2.072 ( -2.180 1.001 -3.039) 3.872 2.105 ( -1.596 -2.947 -0.336) 3.368 2.227 ( -2.180 -0.516 -1.380) 2.631 2.273 ( -4.601 -0.525 -0.983) 4.734 2.304 ( 4.556 -1.748 -3.038) 5.748 2.452 ( 1.305 0.196 -0.292) 1.351 2.488 ( 4.413 -0.377 -0.317) 4.440 2.614 ( 1.393 -3.048 -4.889) 5.927 2.707 ( -4.799 0.564 -3.724) 6.101 2.862 ( 3.856 0.357 1.329) 4.094 3.250 ( 1.403 -0.259 0.367) 1.473 3.421 ( 0.750 1.491 -1.681) 2.369 3.642 ( 0.139 -1.060 0.682) 1.268 3.693 ( 4.623 -1.132 2.007) 5.165 3.758 ( -0.605 1.177 1.871) 2.291 3.842 ( 5.840 1.130 -2.691) 6.529 3.990 ( 0.071 -0.050 2.091) 2.092 4.357 ( 3.970 -7.381 4.252) 9.398 4.459 ( -4.626 -1.403 -2.267) 5.339 4.802 ( -0.748 6.653 -3.719) 7.658 5.119 ( -2.697 -1.468 1.893) 3.608 7.121 ( 0.259 0.597 -0.312) 0.721 7.947 ( 0.829 -1.080 5.216) 5.390 8.473 ( 0.130 -4.832 -2.766) 5.569 9.194 ( -2.985 -0.999 0.985) 3.298 9.476 ( 0.336 -0.391 0.627) 0.812 9.531 ( 0.136 -0.196 0.193) 0.306 9.818 ( -0.226 7.617 -3.451) 8.365 9.887 ( 0.959 1.995 0.817) 2.360 ======================= Grid point 108 (51/88) ======================= q-point: (-0.14 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.603 ( 2.100 -2.171 14.058) 14.379 0.835 ( 4.149 8.008 16.444) 18.755 1.145 ( -3.282 -1.238 0.001) 3.508 1.193 ( -4.668 4.156 -1.076) 6.342 1.278 ( -6.001 0.720 11.355) 12.863 1.422 ( -2.041 2.473 -2.460) 4.041 1.507 ( 2.282 0.827 5.150) 5.693 1.593 ( -1.115 -2.600 0.004) 2.829 1.680 ( -2.518 -2.305 1.319) 3.660 1.742 ( -2.905 2.601 -2.381) 4.569 1.870 ( -0.482 -2.412 1.405) 2.833 1.908 ( -2.263 0.001 2.234) 3.180 1.942 ( 4.026 1.698 -0.028) 4.369 2.051 ( 0.352 -0.802 -0.179) 0.894 2.115 ( -1.011 -2.633 -0.876) 2.954 2.192 ( -0.943 0.320 -2.171) 2.389 2.205 ( -1.273 1.252 -1.031) 2.062 2.365 ( 0.089 -2.472 -3.569) 4.342 2.441 ( -0.541 4.483 -3.543) 5.740 2.544 ( 2.276 0.286 -6.870) 7.243 2.610 ( -2.414 -1.245 -4.226) 5.024 2.669 ( 2.539 -3.492 -8.536) 9.566 2.931 ( 4.171 0.539 1.745) 4.553 3.283 ( 1.629 -0.724 0.838) 1.970 3.378 ( -1.653 2.801 -3.426) 4.724 3.648 ( -1.021 -1.217 2.046) 2.591 3.709 ( -2.845 2.126 2.944) 4.613 3.810 ( 7.063 -0.599 3.992) 8.135 3.944 ( 5.847 -1.253 -2.154) 6.356 4.024 ( 2.717 0.101 3.956) 4.800 4.346 ( -10.697 -2.592 -2.852) 11.370 4.514 ( 1.602 -4.519 1.402) 4.995 4.754 ( 8.112 5.753 0.415) 9.953 5.068 ( -5.611 -0.663 0.455) 5.668 7.145 ( 3.020 -0.142 -0.132) 3.026 7.999 ( 2.225 -0.937 4.698) 5.282 8.517 ( -1.194 -5.141 -2.121) 5.688 9.155 ( -2.876 -0.550 0.206) 2.936 9.523 ( 2.161 -2.498 1.539) 3.643 9.549 ( 1.908 -1.945 1.786) 3.258 9.722 ( 1.867 9.929 -1.991) 10.297 9.861 ( -1.673 2.180 0.116) 2.750 ======================= Grid point 110 (52/88) ======================= q-point: ( 0.14 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.812 ( 10.535 -0.000 7.349) 12.845 1.021 ( 4.297 -0.000 6.938) 8.161 1.124 ( -3.870 0.000 -9.461) 10.222 1.272 ( 7.126 -0.000 4.903) 8.650 1.328 ( -4.297 0.000 -7.776) 8.885 1.565 ( 2.853 -0.000 5.830) 6.491 1.594 ( 2.694 -0.000 -0.537) 2.747 1.641 ( 1.736 -0.000 0.291) 1.760 1.692 ( -3.625 0.000 3.070) 4.750 1.744 ( 3.895 -0.000 9.661) 10.416 1.856 ( 8.720 -0.000 2.629) 9.108 1.950 ( -1.652 0.000 -4.586) 4.875 2.041 ( 0.779 -0.000 -6.505) 6.552 2.057 ( -3.315 0.000 -2.411) 4.099 2.097 ( -1.533 0.000 -0.119) 1.538 2.160 ( -1.044 0.000 -3.182) 3.349 2.199 ( 2.728 -0.000 3.903) 4.762 2.220 ( 1.832 -0.000 1.632) 2.454 2.287 ( -0.624 0.000 -1.938) 2.036 2.432 ( -0.663 0.000 -1.479) 1.621 2.478 ( -1.788 0.000 3.240) 3.700 2.825 ( 2.119 -0.000 -7.411) 7.708 2.943 ( -2.360 0.000 -0.499) 2.412 3.258 ( -1.884 0.000 0.533) 1.958 3.363 ( 1.984 -0.000 -1.483) 2.477 3.559 ( -4.635 0.000 5.456) 7.159 3.657 ( -0.009 0.000 2.745) 2.745 3.785 ( -6.893 0.000 -2.897) 7.478 3.893 ( -5.558 0.000 -2.545) 6.113 4.101 ( -2.935 0.000 -1.500) 3.296 4.307 ( 6.658 -0.000 7.300) 9.880 4.615 ( 6.768 -0.000 -0.473) 6.785 4.690 ( -8.195 0.000 -5.338) 9.781 5.142 ( 2.758 -0.000 0.799) 2.872 7.177 ( -0.732 0.000 -1.581) 1.742 8.174 ( -7.119 0.000 -1.292) 7.236 8.312 ( 3.040 -0.000 1.045) 3.215 9.197 ( 2.048 -0.000 0.892) 2.234 9.516 ( -0.824 0.000 0.713) 1.090 9.623 ( -4.882 0.000 -3.539) 6.030 9.721 ( 5.254 -0.000 -1.064) 5.360 9.953 ( 2.538 -0.000 -2.263) 3.400 ======================= Grid point 111 (53/88) ======================= q-point: ( 0.29 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.975 ( 5.600 4.430 -5.437) 8.975 1.037 ( 3.800 0.362 0.652) 3.873 1.124 ( 1.608 -2.235 2.172) 3.507 1.225 ( -4.759 0.364 -7.239) 8.671 1.423 ( 8.766 1.302 6.277) 10.860 1.581 ( -2.725 0.367 0.389) 2.777 1.610 ( -1.520 0.884 1.282) 2.176 1.634 ( 3.536 2.492 -2.608) 5.051 1.668 ( -1.733 -2.071 4.286) 5.066 1.828 ( 1.640 -3.060 1.701) 3.866 1.881 ( -3.257 2.167 -7.120) 8.124 1.949 ( -1.908 0.911 -0.653) 2.213 1.982 ( -0.374 -1.298 -0.873) 1.608 2.027 ( -0.630 4.043 -3.743) 5.546 2.087 ( 2.519 -1.437 -2.670) 3.942 2.165 ( 1.926 1.223 5.642) 6.086 2.222 ( -2.516 -2.398 2.028) 4.024 2.297 ( 4.963 -0.167 0.108) 4.966 2.327 ( 4.858 -2.899 -0.340) 5.668 2.445 ( -0.857 0.441 2.833) 2.993 2.482 ( 1.208 -2.763 3.327) 4.491 2.777 ( -4.065 3.097 -0.000) 5.110 2.914 ( -2.500 -1.813 -1.954) 3.655 3.234 ( -0.721 0.527 1.008) 1.346 3.392 ( 1.838 -0.042 -1.298) 2.250 3.521 ( -0.456 0.209 2.110) 2.169 3.669 ( -1.202 -0.496 1.260) 1.811 3.707 ( -1.948 -1.711 -1.677) 3.088 3.804 ( -4.081 -0.437 -2.094) 4.608 4.040 ( -3.606 -0.156 -1.713) 3.995 4.381 ( 1.496 4.272 6.237) 7.706 4.552 ( -5.137 -0.217 -6.531) 8.312 4.743 ( 6.486 -2.726 -0.564) 7.058 5.161 ( -0.063 0.819 1.524) 1.732 7.163 ( -0.447 0.141 -1.388) 1.465 8.042 ( -6.974 1.630 1.317) 7.282 8.365 ( 2.604 -0.458 -1.690) 3.138 9.222 ( 0.342 -0.005 1.414) 1.455 9.508 ( -0.407 0.593 0.885) 1.140 9.545 ( -3.305 -0.598 -2.976) 4.487 9.807 ( 5.653 -0.165 -1.555) 5.865 9.969 ( 0.707 0.192 -2.263) 2.379 ======================= Grid point 112 (54/88) ======================= q-point: (-0.57 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.931 ( -0.393 4.679 -7.241) 8.631 1.059 ( 0.329 4.663 -1.946) 5.064 1.127 ( -4.030 -1.906 0.471) 4.482 1.201 ( 2.963 0.767 -0.498) 3.101 1.515 ( 2.597 4.912 5.626) 7.907 1.552 ( 0.732 -2.468 -2.821) 3.819 1.583 ( -1.221 -0.110 2.042) 2.382 1.630 ( -1.043 3.048 -2.769) 4.248 1.679 ( 1.014 0.231 3.630) 3.776 1.808 ( -0.676 0.406 -0.659) 1.027 1.833 ( -2.567 1.153 -2.041) 3.476 1.906 ( -3.860 0.364 -2.177) 4.446 1.988 ( 1.774 -4.047 -2.315) 4.989 2.019 ( 3.707 1.501 -1.837) 4.401 2.127 ( 0.075 -0.758 -0.093) 0.768 2.199 ( -3.026 -2.027 -0.173) 3.646 2.205 ( 1.625 -0.504 3.367) 3.772 2.348 ( 1.000 1.372 -0.693) 1.834 2.430 ( -0.979 -0.256 3.621) 3.759 2.448 ( 4.522 -4.348 -1.968) 6.575 2.499 ( -4.100 0.613 3.440) 5.387 2.724 ( 1.271 0.053 4.274) 4.459 2.869 ( -3.110 -0.256 -3.478) 4.673 3.233 ( 0.395 0.056 0.551) 0.680 3.413 ( 1.365 -0.101 -1.137) 1.780 3.566 ( 4.740 -0.400 0.750) 4.816 3.641 ( -1.023 -0.084 -1.866) 2.130 3.719 ( -0.186 -1.372 2.970) 3.277 3.792 ( 0.802 -2.972 -1.591) 3.465 3.993 ( -2.214 -0.759 0.095) 2.343 4.314 ( -2.850 4.634 0.767) 5.494 4.498 ( -1.507 0.112 -1.911) 2.436 4.854 ( 4.013 -1.900 -1.475) 4.679 5.139 ( -1.913 1.021 1.504) 2.639 7.149 ( -0.433 0.444 -0.997) 1.175 7.945 ( -3.909 0.650 1.805) 4.354 8.392 ( 0.444 -1.045 -1.201) 1.653 9.215 ( -1.652 -0.027 1.402) 2.167 9.485 ( -1.314 0.203 -1.118) 1.737 9.523 ( -0.395 -0.434 0.523) 0.786 9.886 ( 4.799 0.689 -1.461) 5.063 9.961 ( 0.672 1.467 -3.166) 3.553 ======================= Grid point 113 (55/88) ======================= q-point: (-0.43 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.791 ( -4.036 9.752 -4.453) 11.455 1.031 ( 3.095 4.542 3.531) 6.533 1.086 ( -5.301 -2.682 3.362) 6.826 1.223 ( 2.877 1.656 -3.180) 4.596 1.508 ( -1.397 0.905 1.437) 2.199 1.539 ( -2.695 1.187 0.658) 3.018 1.556 ( 0.112 2.573 -1.157) 2.823 1.612 ( -0.962 -1.420 1.999) 2.634 1.677 ( -7.046 4.150 1.066) 8.247 1.749 ( 4.691 1.630 3.307) 5.966 1.848 ( 1.013 0.290 1.241) 1.628 1.858 ( -1.573 -2.578 -1.350) 3.308 2.008 ( -5.757 -5.899 1.603) 8.397 2.036 ( 0.521 4.779 0.562) 4.840 2.098 ( -2.250 -0.058 -2.841) 3.625 2.185 ( -3.710 -1.685 -0.449) 4.099 2.267 ( 7.382 -0.752 -4.353) 8.603 2.306 ( -0.803 1.971 -0.202) 2.137 2.443 ( 0.293 -1.176 2.253) 2.559 2.473 ( 1.126 -0.703 2.341) 2.691 2.540 ( 2.836 -3.323 -4.807) 6.496 2.727 ( -4.225 0.613 -2.828) 5.121 2.854 ( 2.726 -1.134 -0.537) 3.001 3.241 ( 0.194 -0.632 -0.579) 0.879 3.435 ( 1.530 -0.385 -1.546) 2.209 3.632 ( 0.354 -0.156 -0.273) 0.473 3.665 ( 5.230 -0.973 2.840) 6.031 3.755 ( 0.891 -1.004 2.613) 2.938 3.841 ( 2.608 -1.921 -1.610) 3.617 3.985 ( -0.122 -0.482 2.555) 2.603 4.263 ( -0.313 -0.212 0.825) 0.908 4.465 ( -1.223 1.061 0.777) 1.796 4.887 ( 0.878 1.465 -3.394) 3.800 5.098 ( -2.994 -0.165 1.120) 3.201 7.136 ( 0.127 0.719 -0.699) 1.011 7.918 ( -1.240 -1.529 3.306) 3.847 8.399 ( -1.120 -1.997 0.053) 2.290 9.184 ( -2.646 -0.098 0.970) 2.820 9.469 ( -0.315 -0.247 -0.120) 0.418 9.528 ( 0.366 0.051 1.234) 1.288 9.908 ( -0.234 2.195 -0.939) 2.399 9.961 ( 4.337 3.116 -5.257) 7.494 ======================= Grid point 114 (56/88) ======================= q-point: (-0.29 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.654 ( 0.492 7.173 5.066) 8.796 1.006 ( -5.693 5.212 11.361) 13.735 1.094 ( 2.776 -2.554 1.308) 3.992 1.253 ( 4.543 1.770 -2.733) 5.589 1.383 ( -9.469 6.506 7.685) 13.822 1.485 ( -4.527 1.047 -3.397) 5.756 1.507 ( -2.855 1.151 0.344) 3.098 1.576 ( 4.960 2.010 3.864) 6.601 1.646 ( -1.215 -0.450 3.317) 3.561 1.775 ( -5.609 1.007 -3.468) 6.671 1.827 ( 1.883 -1.586 4.251) 4.913 1.903 ( -0.773 -0.922 1.298) 1.770 1.983 ( 1.056 -0.619 3.910) 4.097 2.010 ( -0.808 -0.187 -0.272) 0.873 2.072 ( -0.258 -1.326 -4.922) 5.104 2.132 ( -3.029 -2.321 0.680) 3.876 2.282 ( 0.643 3.486 -1.054) 3.698 2.339 ( 2.085 0.035 -5.518) 5.899 2.500 ( -0.769 -0.691 -3.388) 3.543 2.534 ( 6.548 -3.414 -3.255) 8.070 2.566 ( -0.190 -0.235 -6.773) 6.780 2.616 ( -4.229 0.081 -3.668) 5.599 2.926 ( 3.780 -1.453 0.412) 4.071 3.253 ( 0.087 -1.947 -0.899) 2.147 3.441 ( 0.162 1.656 -3.201) 3.608 3.634 ( -0.512 -0.076 1.343) 1.439 3.746 ( -2.593 0.924 3.186) 4.210 3.781 ( 5.747 -1.899 5.123) 7.930 3.913 ( 4.387 -1.349 -1.998) 5.006 4.023 ( 2.908 -0.198 4.068) 5.004 4.260 ( -5.261 -3.418 -0.437) 6.289 4.474 ( 2.767 0.278 3.589) 4.540 4.862 ( 2.777 3.618 -3.509) 5.755 5.047 ( -4.734 -0.952 0.247) 4.835 7.143 ( 1.863 0.114 -0.633) 1.971 7.956 ( 1.250 -3.115 4.455) 5.578 8.404 ( -2.479 -3.781 2.183) 5.021 9.148 ( -1.888 -0.023 0.304) 1.912 9.482 ( 1.123 -0.943 1.159) 1.869 9.539 ( 0.484 0.019 1.297) 1.385 9.859 ( -0.959 3.341 -2.191) 4.109 9.964 ( 3.275 5.492 -5.503) 8.436 ======================= Grid point 115 (57/88) ======================= q-point: (-0.14 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.714 ( 5.950 0.040 13.801) 15.029 0.834 ( -12.935 3.449 13.601) 19.084 1.150 ( 1.390 -0.515 -0.953) 1.763 1.276 ( 6.666 7.394 4.088) 10.762 1.334 ( 2.347 -0.660 -0.508) 2.490 1.391 ( -1.428 2.855 4.191) 5.268 1.490 ( -0.485 -0.450 1.714) 1.838 1.630 ( -2.972 2.019 1.560) 3.917 1.639 ( -1.166 1.616 -0.765) 2.135 1.673 ( 2.228 -1.209 5.213) 5.796 1.854 ( -4.021 0.314 0.381) 4.052 1.885 ( 0.667 -2.623 4.888) 5.587 2.012 ( 2.531 1.292 -3.777) 4.727 2.057 ( 2.485 -2.743 -0.326) 3.716 2.078 ( -0.206 -2.383 -2.013) 3.126 2.152 ( 0.320 -3.134 1.948) 3.704 2.244 ( 0.117 3.209 -3.022) 4.410 2.321 ( -1.811 2.178 -4.717) 5.502 2.421 ( -4.273 3.339 -2.637) 6.030 2.481 ( -3.554 -2.964 -10.551) 11.521 2.568 ( -1.754 -0.388 -1.300) 2.217 2.697 ( 8.047 -1.800 -8.499) 11.842 2.985 ( 1.646 -0.262 0.235) 1.683 3.276 ( -0.449 -2.845 -0.755) 2.977 3.384 ( -1.205 3.771 -2.932) 4.927 3.626 ( -1.735 -0.502 3.066) 3.558 3.700 ( -2.313 2.300 5.288) 6.213 3.924 ( 5.601 -3.571 4.697) 8.135 3.971 ( 1.653 -0.758 -2.140) 2.808 4.089 ( 2.826 -0.146 3.521) 4.518 4.159 ( -8.294 -0.829 0.247) 8.339 4.516 ( 1.446 0.499 -0.431) 1.589 4.930 ( 8.568 0.431 -0.381) 8.587 4.962 ( -6.653 -0.307 -1.141) 6.758 7.179 ( 1.781 -0.826 -1.267) 2.337 8.050 ( 5.177 -3.014 1.020) 6.076 8.403 ( -5.530 -5.078 4.696) 8.856 9.135 ( 0.508 0.161 -0.145) 0.553 9.536 ( 1.515 -3.194 1.444) 3.819 9.547 ( 0.698 0.131 0.645) 0.959 9.806 ( -1.201 2.324 -1.890) 3.227 9.919 ( 2.915 7.652 -5.023) 9.606 ======================= Grid point 118 (58/88) ======================= q-point: ( 0.29 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( -2.037 0.000 -7.557) 7.827 1.105 ( 1.093 -0.000 -8.663) 8.732 1.122 ( -1.859 0.000 5.357) 5.670 1.216 ( 4.118 -0.000 -0.008) 4.118 1.499 ( -2.271 0.000 -3.895) 4.508 1.586 ( -1.072 0.000 1.751) 2.053 1.597 ( 5.051 -0.000 5.930) 7.789 1.644 ( -0.585 0.000 5.152) 5.185 1.730 ( 3.330 -0.000 -2.624) 4.240 1.775 ( -7.863 0.000 -6.178) 10.000 1.845 ( 4.216 -0.000 -1.759) 4.568 1.886 ( -2.239 0.000 -4.803) 5.299 1.957 ( -2.643 0.000 1.299) 2.945 2.077 ( -0.207 0.000 1.800) 1.812 2.082 ( 2.817 -0.000 -3.216) 4.275 2.147 ( -2.762 0.000 -1.597) 3.190 2.244 ( 2.019 -0.000 5.797) 6.139 2.346 ( 2.179 -0.000 -0.942) 2.374 2.403 ( 5.104 -0.000 -0.288) 5.112 2.429 ( -2.488 0.000 4.197) 4.879 2.504 ( -0.506 0.000 3.437) 3.474 2.732 ( -2.817 0.000 3.759) 4.697 2.859 ( -2.037 0.000 -2.755) 3.426 3.233 ( -0.062 0.000 0.389) 0.394 3.409 ( 0.716 -0.000 -1.873) 2.005 3.561 ( 4.597 -0.000 0.979) 4.700 3.655 ( -1.360 0.000 -1.442) 1.982 3.677 ( 0.416 -0.000 3.239) 3.266 3.766 ( 0.742 -0.000 -2.429) 2.540 3.984 ( -2.328 0.000 -0.081) 2.330 4.372 ( -5.287 0.000 0.476) 5.308 4.505 ( -0.336 0.000 0.406) 0.527 4.824 ( 5.462 -0.000 -2.322) 5.935 5.151 ( -2.137 0.000 1.135) 2.420 7.154 ( -0.271 0.000 -1.063) 1.097 7.953 ( -5.244 0.000 1.199) 5.380 8.382 ( 0.477 -0.000 -0.900) 1.019 9.216 ( -1.635 0.000 1.465) 2.195 9.487 ( -1.993 0.000 -1.898) 2.752 9.519 ( 0.286 -0.000 1.991) 2.011 9.895 ( 5.941 -0.000 -3.128) 6.715 9.973 ( 0.557 -0.000 -2.666) 2.724 ======================= Grid point 119 (59/88) ======================= q-point: (-0.57 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.890 ( -5.733 -1.970 -5.627) 8.271 1.049 ( -2.168 5.936 -1.585) 6.516 1.135 ( 2.410 -0.277 2.745) 3.663 1.269 ( 4.608 2.259 -2.264) 5.609 1.484 ( -0.896 -1.313 -2.890) 3.298 1.553 ( -5.553 0.210 -3.077) 6.352 1.595 ( -0.381 0.757 4.272) 4.356 1.666 ( -0.049 0.927 0.170) 0.944 1.679 ( 0.103 1.875 0.465) 1.935 1.765 ( -2.029 -4.282 0.472) 4.762 1.806 ( -3.548 2.675 2.538) 5.117 1.875 ( -6.666 -3.284 -0.218) 7.434 1.932 ( 1.593 2.335 0.719) 2.917 2.083 ( 1.139 0.412 -1.409) 1.858 2.131 ( 0.461 -1.275 -1.315) 1.889 2.142 ( 5.695 0.081 -5.054) 7.614 2.278 ( 2.589 2.091 4.423) 5.535 2.354 ( -0.523 1.552 -1.072) 1.957 2.409 ( -1.052 -0.443 4.058) 4.215 2.470 ( -2.142 -0.787 1.539) 2.752 2.480 ( 2.604 -1.880 -0.322) 3.228 2.725 ( -1.323 -0.434 -0.757) 1.585 2.830 ( -0.089 -0.759 -3.302) 3.389 3.226 ( -1.193 -0.571 -1.189) 1.778 3.410 ( -0.076 -1.283 -2.279) 2.617 3.639 ( 0.445 0.883 -0.084) 0.993 3.659 ( 6.162 0.059 2.756) 6.750 3.716 ( 0.726 -2.183 3.563) 4.241 3.805 ( 4.122 -0.761 -1.879) 4.594 3.975 ( 0.493 -0.312 2.728) 2.790 4.295 ( -2.858 1.511 0.183) 3.239 4.490 ( -1.273 0.924 2.486) 2.942 4.886 ( 2.576 -0.654 -3.250) 4.198 5.105 ( -3.362 0.425 -0.154) 3.392 7.147 ( 0.092 0.304 -0.919) 0.972 7.892 ( -3.067 -0.690 1.630) 3.541 8.379 ( -0.913 -0.249 0.888) 1.298 9.184 ( -2.456 0.065 0.913) 2.621 9.466 ( -0.278 -0.068 -0.219) 0.361 9.531 ( 0.386 0.135 2.376) 2.411 9.951 ( 1.652 1.969 -2.807) 3.806 9.983 ( 3.396 -0.670 -4.903) 6.002 ======================= Grid point 120 (60/88) ======================= q-point: (-0.43 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( -3.079 0.499 -3.680) 4.824 0.940 ( -4.397 2.134 3.399) 5.953 1.189 ( 2.916 4.437 6.828) 8.649 1.313 ( 5.837 4.330 -1.356) 7.393 1.403 ( -7.014 -1.926 -2.748) 7.776 1.507 ( -6.257 0.443 0.590) 6.300 1.534 ( -2.854 -0.618 -0.724) 3.009 1.619 ( -0.224 2.668 2.005) 3.345 1.695 ( 0.030 1.979 4.034) 4.494 1.749 ( -4.424 -3.489 -0.053) 5.635 1.801 ( 0.127 -5.362 2.206) 5.800 1.842 ( 1.400 -0.058 -0.429) 1.466 1.930 ( 0.509 0.957 2.225) 2.474 2.065 ( -0.626 0.611 -3.262) 3.377 2.111 ( -0.443 3.785 1.715) 4.179 2.147 ( -1.744 5.122 -0.279) 5.418 2.344 ( 3.169 2.590 -1.495) 4.357 2.347 ( 3.180 0.020 -3.821) 4.971 2.426 ( -1.386 -3.303 -1.029) 3.727 2.470 ( 2.341 -3.056 1.791) 4.246 2.553 ( 3.874 -1.891 -3.071) 5.293 2.652 ( -4.467 2.441 -5.217) 7.289 2.868 ( 2.326 -3.614 -1.737) 4.636 3.206 ( -2.054 -2.350 -2.509) 4.004 3.424 ( -0.214 -2.584 -2.236) 3.424 3.638 ( -0.069 0.558 1.087) 1.224 3.745 ( -0.501 -0.708 3.037) 3.159 3.760 ( 4.728 -0.044 3.469) 5.864 3.889 ( 5.327 -0.851 0.164) 5.397 4.019 ( 2.808 -0.182 4.668) 5.451 4.239 ( -3.705 0.767 0.254) 3.792 4.491 ( 2.131 0.931 4.145) 4.753 4.899 ( 0.779 0.167 -3.940) 4.020 5.039 ( -4.081 0.202 -1.417) 4.324 7.149 ( 1.018 0.282 -1.110) 1.532 7.887 ( -0.711 -2.839 2.895) 4.117 8.367 ( -1.782 -0.356 2.803) 3.340 9.151 ( -1.513 0.201 0.161) 1.535 9.475 ( 1.011 -0.011 0.961) 1.394 9.543 ( 0.327 0.212 2.348) 2.380 9.918 ( -0.887 2.536 -2.969) 4.004 10.024 ( 3.105 0.555 -6.307) 7.052 ======================= Grid point 121 (61/88) ======================= q-point: (-0.29 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.775 ( 2.942 4.479 4.625) 7.079 0.873 ( -9.035 -1.336 6.707) 11.331 1.140 ( -2.495 1.825 5.708) 6.492 1.328 ( 0.122 0.869 -0.188) 0.897 1.346 ( -2.686 0.554 -3.420) 4.383 1.461 ( 0.441 -1.695 -0.743) 1.903 1.516 ( 3.577 3.799 8.100) 9.635 1.633 ( -1.305 -1.137 -1.317) 2.175 1.652 ( -0.054 1.796 4.073) 4.452 1.733 ( 1.503 2.619 1.431) 3.342 1.825 ( -1.816 -0.429 3.648) 4.097 1.900 ( -2.264 1.262 -2.647) 3.705 1.937 ( 2.602 -5.909 -0.917) 6.521 2.049 ( 0.592 0.748 -0.053) 0.955 2.069 ( 0.399 2.920 2.135) 3.639 2.108 ( 1.511 0.194 -2.077) 2.576 2.299 ( -3.998 1.151 -3.224) 5.263 2.377 ( 3.921 2.432 -0.487) 4.639 2.418 ( -2.493 -0.113 -4.870) 5.472 2.502 ( -3.249 1.024 -2.580) 4.274 2.549 ( -1.666 0.134 -2.037) 2.635 2.663 ( 8.763 -1.811 -8.048) 12.035 2.943 ( 1.883 -3.820 -0.871) 4.347 3.201 ( -1.775 -4.025 -2.341) 4.983 3.423 ( -1.538 -0.661 -2.055) 2.651 3.625 ( -1.959 0.140 2.625) 3.279 3.740 ( -0.824 1.308 4.370) 4.636 3.837 ( 1.966 -2.796 1.623) 3.784 3.982 ( 5.660 0.850 1.479) 5.911 4.082 ( 2.437 -0.258 4.030) 4.716 4.146 ( -7.117 -0.100 -0.029) 7.118 4.546 ( 3.889 1.998 2.380) 4.978 4.916 ( 1.483 -1.761 -1.855) 2.956 4.963 ( -3.112 0.565 -2.359) 3.945 7.166 ( 1.405 -0.363 -1.507) 2.092 7.951 ( 2.040 -5.451 2.775) 6.448 8.347 ( -2.612 -0.372 4.477) 5.197 9.140 ( 0.631 0.286 -0.305) 0.757 9.502 ( 1.546 -0.383 1.152) 1.965 9.552 ( 0.389 0.227 1.760) 1.817 9.859 ( -1.790 2.658 -2.451) 4.035 10.022 ( 1.110 2.120 -6.839) 7.245 ======================= Grid point 122 (62/88) ======================= q-point: (-0.14 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.738 ( -3.557 3.321 9.215) 10.421 0.871 ( 5.064 -1.533 8.290) 9.834 1.157 ( 0.183 -2.333 -0.610) 2.418 1.247 ( -2.949 2.272 -1.204) 3.913 1.367 ( 1.936 -4.037 2.314) 5.040 1.469 ( 0.099 3.115 -4.897) 5.805 1.576 ( -0.195 -3.098 2.690) 4.107 1.621 ( 2.156 4.899 7.419) 9.148 1.697 ( 6.996 1.472 7.088) 10.067 1.756 ( -2.733 1.113 1.422) 3.275 1.795 ( 3.824 -0.571 2.164) 4.430 1.878 ( 0.888 0.972 -0.917) 1.604 2.006 ( -0.345 -5.424 -3.187) 6.300 2.033 ( -2.441 0.165 -1.404) 2.821 2.074 ( 1.596 -0.218 -4.027) 4.337 2.149 ( 1.511 -0.083 1.203) 1.933 2.223 ( -1.769 -0.311 -1.914) 2.625 2.312 ( -3.084 4.980 -3.517) 6.832 2.411 ( -2.152 3.774 -1.844) 4.720 2.432 ( 3.416 0.373 -1.063) 3.597 2.527 ( -2.355 0.005 0.107) 2.357 2.769 ( 5.619 -1.213 -10.442) 11.919 2.981 ( -0.453 -1.512 -0.857) 1.796 3.216 ( -1.335 -4.131 -0.655) 4.391 3.388 ( -1.011 1.391 -0.675) 1.847 3.591 ( -3.649 -0.464 3.768) 5.266 3.724 ( -0.321 2.818 4.348) 5.192 3.862 ( -4.513 -3.561 -1.077) 5.849 4.006 ( -4.314 1.753 -2.689) 5.377 4.098 ( 3.697 -1.836 4.512) 6.116 4.120 ( 0.448 -0.752 2.114) 2.288 4.583 ( 4.559 3.133 -0.599) 5.564 4.845 ( -6.693 0.115 -2.776) 7.247 5.028 ( 5.350 -2.406 0.350) 5.876 7.180 ( 0.187 -0.560 -1.702) 1.801 8.063 ( 1.743 -7.386 -0.336) 7.596 8.322 ( -1.946 0.617 4.872) 5.283 9.162 ( 2.265 0.190 -0.061) 2.274 9.522 ( -0.591 -0.667 0.400) 0.977 9.576 ( 2.223 -0.636 0.150) 2.317 9.793 ( -2.088 2.674 -1.336) 3.646 9.985 ( 0.502 2.503 -5.274) 5.859 ======================= Grid point 126 (63/88) ======================= q-point: ( 0.43 -0.57 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.741 ( -7.134 0.000 -1.875) 7.376 1.101 ( -1.406 0.000 1.316) 1.926 1.165 ( 5.140 -0.000 -1.195) 5.277 1.376 ( -8.015 0.000 -1.778) 8.210 1.388 ( 7.967 -0.000 -0.598) 7.989 1.519 ( 1.478 -0.000 -5.049) 5.261 1.533 ( -15.573 0.000 6.721) 16.961 1.652 ( 0.448 -0.000 -0.288) 0.533 1.663 ( -4.836 0.000 4.225) 6.422 1.684 ( 0.313 -0.000 4.026) 4.038 1.733 ( -1.085 0.000 0.290) 1.123 1.883 ( 2.661 -0.000 -3.467) 4.370 1.955 ( -0.008 0.000 0.928) 0.928 2.090 ( -1.564 0.000 0.621) 1.683 2.109 ( 0.886 -0.000 -3.058) 3.184 2.261 ( 4.127 -0.000 -2.201) 4.677 2.326 ( 0.642 -0.000 3.636) 3.692 2.386 ( 6.335 -0.000 -6.681) 9.207 2.404 ( -4.913 0.000 0.867) 4.989 2.434 ( 1.643 -0.000 5.337) 5.584 2.502 ( 2.808 -0.000 0.054) 2.808 2.689 ( -2.451 0.000 -4.277) 4.929 2.816 ( 0.925 -0.000 -4.076) 4.180 3.175 ( -3.387 0.000 -2.996) 4.522 3.388 ( -0.400 0.000 -2.329) 2.364 3.649 ( -0.377 0.000 1.200) 1.258 3.733 ( 1.121 -0.000 3.186) 3.377 3.762 ( 4.877 -0.000 1.197) 5.021 3.880 ( 5.792 -0.000 1.857) 6.082 4.017 ( 2.834 -0.000 4.933) 5.689 4.253 ( -4.205 0.000 0.635) 4.253 4.503 ( 1.899 -0.000 4.465) 4.852 4.895 ( 0.319 -0.000 -3.909) 3.922 5.044 ( -3.868 0.000 -2.346) 4.524 7.152 ( 0.759 -0.000 -1.248) 1.461 7.855 ( -1.578 0.000 1.902) 2.471 8.366 ( -1.326 0.000 2.854) 3.147 9.153 ( -1.436 0.000 0.130) 1.442 9.475 ( 1.163 -0.000 1.110) 1.608 9.545 ( 0.160 -0.000 2.903) 2.908 9.953 ( -0.674 0.000 -4.657) 4.705 10.019 ( 2.843 -0.000 -5.013) 5.763 ======================= Grid point 128 (64/88) ======================= q-point: (-0.43 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.694 ( -2.303 -6.052 -0.450) 6.491 0.997 ( -2.682 9.782 2.553) 10.460 1.220 ( -12.394 -1.011 3.711) 12.977 1.266 ( 0.657 -1.120 3.162) 3.418 1.379 ( -1.161 -1.509 3.327) 3.834 1.459 ( 2.642 3.594 -2.458) 5.093 1.520 ( -0.421 -1.244 -1.693) 2.143 1.615 ( -1.071 0.722 -2.298) 2.636 1.670 ( -0.123 -2.094 1.301) 2.468 1.727 ( 0.860 -1.561 4.650) 4.980 1.764 ( 1.297 -4.878 1.093) 5.164 1.881 ( 1.613 3.335 -1.438) 3.974 1.965 ( 0.992 0.648 0.887) 1.480 2.078 ( 1.222 1.642 1.576) 2.583 2.109 ( -0.187 -0.387 -2.688) 2.722 2.201 ( -1.610 7.414 -0.660) 7.615 2.308 ( -5.364 0.683 -1.514) 5.615 2.377 ( 0.943 -3.483 2.626) 4.463 2.455 ( 3.452 3.178 1.005) 4.798 2.494 ( 2.175 -0.047 -2.010) 2.962 2.577 ( 0.790 -0.632 -0.220) 1.035 2.628 ( 4.009 0.100 -10.319) 11.070 2.847 ( 1.317 -4.066 -2.813) 5.117 3.124 ( -2.748 -2.530 -2.999) 4.791 3.386 ( -0.285 -1.605 -1.847) 2.463 3.630 ( -2.763 0.233 2.998) 4.083 3.754 ( 0.330 0.288 2.664) 2.700 3.811 ( 1.267 -0.380 -1.042) 1.684 3.995 ( 6.601 0.331 4.791) 8.163 4.078 ( 2.252 -0.149 4.741) 5.251 4.156 ( -7.119 0.638 -0.371) 7.157 4.581 ( 5.624 1.047 4.478) 7.265 4.879 ( -1.217 -1.257 -3.407) 3.830 4.974 ( -2.945 0.334 -3.365) 4.485 7.163 ( 1.094 -0.028 -1.675) 2.001 7.863 ( 0.245 -2.375 2.214) 3.256 8.355 ( -1.019 0.484 3.727) 3.893 9.145 ( 0.591 0.141 -0.342) 0.697 9.504 ( 1.815 0.263 1.372) 2.291 9.555 ( -0.080 0.018 2.791) 2.793 9.909 ( -1.680 1.691 -4.266) 4.887 10.030 ( 0.258 -0.537 -5.528) 5.560 ======================= Grid point 129 (65/88) ======================= q-point: (-0.29 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.756 ( 0.279 -6.853 -0.016) 6.859 0.867 ( -2.450 6.813 6.505) 9.733 1.131 ( -0.408 -0.695 3.613) 3.702 1.288 ( -0.775 -2.676 3.299) 4.318 1.327 ( -2.552 4.735 -0.436) 5.396 1.480 ( -2.861 -4.342 -0.254) 5.206 1.532 ( 1.259 1.514 -2.215) 2.963 1.618 ( 2.151 -4.110 -0.215) 4.644 1.686 ( 0.131 0.987 3.993) 4.115 1.765 ( 0.113 -1.059 2.816) 3.011 1.831 ( -0.531 -5.230 -0.761) 5.311 1.883 ( 3.627 4.035 1.887) 5.744 1.952 ( -0.614 1.339 -2.189) 2.638 2.087 ( 0.122 1.091 -0.731) 1.319 2.097 ( 2.026 4.276 1.902) 5.099 2.162 ( 3.598 1.862 -1.385) 4.281 2.222 ( -2.284 1.053 -1.491) 2.924 2.404 ( -1.634 2.743 -1.105) 3.378 2.450 ( -2.498 -0.102 0.283) 2.516 2.471 ( 2.307 2.407 0.006) 3.334 2.540 ( -0.181 2.237 -0.694) 2.349 2.738 ( 6.858 -1.547 -10.616) 12.733 2.904 ( 0.020 -5.516 -2.067) 5.890 3.128 ( -0.206 -3.650 -0.630) 3.710 3.389 ( -0.747 -1.009 -0.842) 1.512 3.581 ( -4.711 -0.528 4.370) 6.448 3.759 ( -0.159 0.517 2.554) 2.611 3.810 ( -1.725 -1.087 -2.200) 3.000 4.019 ( -8.059 -0.686 0.278) 8.093 4.099 ( 3.091 1.285 2.635) 4.260 4.117 ( 2.543 0.857 2.510) 3.674 4.652 ( 4.769 2.950 0.214) 5.612 4.839 ( -4.760 -0.670 -2.713) 5.519 4.973 ( 3.082 -2.383 -0.058) 3.896 7.172 ( 0.520 -0.185 -1.801) 1.884 7.920 ( 0.450 -5.321 1.824) 5.643 8.351 ( 0.633 1.533 2.955) 3.388 9.166 ( 2.126 0.157 -0.156) 2.137 9.522 ( 0.308 0.724 0.446) 0.904 9.569 ( 0.922 -0.463 1.498) 1.819 9.847 ( -1.905 2.283 -2.096) 3.637 10.004 ( -1.640 -0.381 -5.194) 5.461 ======================= Grid point 130 (66/88) ======================= q-point: (-0.14 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.811 ( 4.724 0.305 -1.997) 5.138 0.885 ( 1.314 -3.886 4.872) 6.369 1.159 ( 2.167 1.382 0.463) 2.611 1.284 ( 0.631 0.932 5.376) 5.493 1.313 ( -4.139 -3.775 0.805) 5.660 1.447 ( -0.836 -3.613 -2.115) 4.269 1.559 ( 2.523 -0.095 -0.576) 2.589 1.629 ( -1.625 0.185 0.242) 1.654 1.759 ( 2.193 -0.159 4.414) 4.931 1.772 ( 0.187 -3.096 2.393) 3.918 1.865 ( -0.517 -2.744 -0.397) 2.821 1.888 ( -4.640 -4.570 -0.995) 6.589 1.946 ( 3.616 2.584 -2.834) 5.271 2.044 ( 2.334 5.934 0.886) 6.438 2.112 ( 2.862 2.354 -3.988) 5.444 2.191 ( 1.746 1.538 0.392) 2.360 2.246 ( 4.224 0.140 3.662) 5.592 2.305 ( -2.981 3.832 -1.357) 5.041 2.410 ( -1.461 2.507 -1.669) 3.347 2.499 ( 1.764 1.211 -0.359) 2.170 2.517 ( 0.873 2.241 2.745) 3.650 2.768 ( -0.814 -0.628 -6.964) 7.039 2.944 ( -0.270 -3.393 -2.748) 4.374 3.175 ( 1.053 -2.691 1.514) 3.263 3.381 ( -0.281 -0.096 -0.120) 0.320 3.531 ( -3.806 -0.896 3.720) 5.397 3.741 ( -2.991 0.228 -0.374) 3.023 3.777 ( -1.102 0.629 -0.080) 1.271 3.907 ( -6.170 -0.717 -1.650) 6.427 4.092 ( -2.261 -0.223 -0.748) 2.392 4.181 ( 3.896 -0.244 3.314) 5.121 4.669 ( -0.037 2.515 -5.539) 6.083 4.769 ( -0.273 1.233 0.667) 1.429 5.067 ( 3.148 -3.077 2.090) 4.873 7.170 ( -0.333 -0.146 -1.631) 1.671 7.977 ( -2.125 -6.058 1.588) 6.613 8.366 ( 2.866 2.215 0.426) 3.648 9.200 ( 2.020 0.115 0.501) 2.085 9.509 ( -0.860 0.392 -0.305) 0.993 9.591 ( 0.346 -0.506 -1.641) 1.752 9.797 ( -0.387 2.171 0.617) 2.290 9.967 ( -1.617 -0.849 -3.557) 3.999 ======================= Grid point 135 (67/88) ======================= q-point: (-0.43 0.57 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.653 ( 1.035 -0.000 -0.178) 1.050 1.016 ( -8.071 0.000 5.040) 9.515 1.060 ( 1.270 -0.000 1.219) 1.761 1.272 ( 0.440 -0.000 4.096) 4.120 1.410 ( -5.758 0.000 -2.414) 6.244 1.420 ( -3.093 0.000 -1.837) 3.597 1.505 ( 4.749 -0.000 3.631) 5.978 1.611 ( -0.751 0.000 -2.927) 3.022 1.675 ( 1.156 -0.000 2.432) 2.693 1.757 ( 0.593 -0.000 -0.127) 0.606 1.758 ( 1.373 -0.000 4.824) 5.016 1.927 ( 3.234 -0.000 -4.214) 5.312 1.967 ( -3.919 0.000 1.528) 4.206 2.085 ( 0.786 -0.000 -0.631) 1.007 2.139 ( 2.994 -0.000 2.703) 4.034 2.215 ( 0.440 -0.000 -4.029) 4.053 2.277 ( -0.435 0.000 -0.679) 0.806 2.371 ( 0.988 -0.000 4.323) 4.435 2.480 ( -4.359 0.000 -0.830) 4.437 2.499 ( 0.693 -0.000 -0.050) 0.695 2.582 ( 1.010 -0.000 -0.684) 1.220 2.721 ( 9.523 -0.000 -9.287) 13.302 2.816 ( -0.828 0.000 -3.643) 3.736 3.085 ( 0.784 -0.000 -0.660) 1.025 3.372 ( 0.160 -0.000 -1.639) 1.647 3.574 ( -5.523 0.000 4.868) 7.362 3.766 ( -0.244 0.000 1.911) 1.927 3.798 ( -1.401 0.000 -3.175) 3.470 4.008 ( -8.042 0.000 1.330) 8.151 4.106 ( -0.303 0.000 2.638) 2.655 4.142 ( 5.730 -0.000 2.917) 6.430 4.687 ( 4.525 -0.000 0.552) 4.559 4.827 ( -2.695 0.000 -2.522) 3.691 4.946 ( 0.969 -0.000 -0.719) 1.207 7.171 ( 0.592 -0.000 -1.807) 1.902 7.862 ( 0.373 -0.000 1.775) 1.814 8.369 ( 1.192 -0.000 2.513) 2.782 9.167 ( 2.061 -0.000 -0.156) 2.067 9.538 ( 1.510 -0.000 0.050) 1.511 9.558 ( -0.588 0.000 2.734) 2.797 9.876 ( -1.779 0.000 -3.193) 3.655 9.993 ( -2.287 0.000 -4.425) 4.981 ======================= Grid point 137 (68/88) ======================= q-point: (-0.29 -0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.704 ( 0.881 -5.008 0.457) 5.106 0.947 ( 2.672 5.129 0.324) 5.792 1.136 ( 2.913 -4.059 1.985) 5.376 1.270 ( -5.004 1.635 0.401) 5.280 1.317 ( -3.986 0.620 1.716) 4.384 1.354 ( -0.317 -3.803 1.209) 4.003 1.592 ( 2.882 2.188 -0.652) 3.677 1.626 ( 1.787 -0.722 0.683) 2.045 1.695 ( 1.386 -1.643 3.068) 3.746 1.763 ( -0.817 -2.143 0.235) 2.305 1.796 ( 0.848 -0.314 3.093) 3.222 1.860 ( -7.855 -0.386 1.126) 7.945 1.974 ( 4.502 0.298 -4.377) 6.286 2.108 ( 1.356 0.712 -1.331) 2.029 2.173 ( 1.017 1.456 -0.980) 2.028 2.224 ( 2.484 1.563 -2.743) 4.018 2.271 ( 3.055 2.365 0.955) 3.980 2.380 ( -5.075 2.511 0.833) 5.723 2.413 ( -0.304 -1.619 1.914) 2.525 2.512 ( 1.757 0.149 0.086) 1.765 2.588 ( 1.921 3.461 0.671) 4.015 2.772 ( 0.245 1.062 -5.565) 5.671 2.845 ( 1.749 -4.851 -3.412) 6.184 3.131 ( 2.972 -1.264 1.701) 3.650 3.373 ( 0.033 -0.435 -0.890) 0.991 3.511 ( -3.771 -0.731 4.397) 5.838 3.746 ( -1.803 0.835 -2.635) 3.300 3.773 ( -0.942 -1.203 -0.150) 1.535 3.882 ( -7.702 -0.821 -0.293) 7.751 4.088 ( -2.199 -0.113 -0.285) 2.221 4.218 ( 3.412 1.987 2.719) 4.794 4.717 ( 0.693 1.816 -5.546) 5.877 4.776 ( -1.763 -0.541 -0.174) 1.852 5.013 ( 4.369 -1.559 3.543) 5.838 7.168 ( -0.239 -0.005 -1.627) 1.645 7.883 ( -0.237 -2.431 2.045) 3.186 8.405 ( 3.335 1.195 -0.107) 3.544 9.203 ( 2.088 0.085 0.455) 2.139 9.531 ( -0.632 1.630 -0.605) 1.850 9.569 ( -0.101 -1.558 -0.044) 1.562 9.839 ( -0.960 1.560 0.012) 1.832 9.938 ( -3.473 -1.394 -3.411) 5.063 ======================= Grid point 138 (69/88) ======================= q-point: (-0.14 -0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.761 ( -1.701 -6.745 0.578) 6.980 0.941 ( -1.698 -0.358 -3.695) 4.082 1.175 ( -1.940 1.037 0.211) 2.210 1.244 ( 4.792 -2.876 2.683) 6.199 1.293 ( -1.337 -0.776 1.986) 2.517 1.438 ( 3.569 -3.237 2.356) 5.364 1.586 ( 0.340 2.212 0.442) 2.281 1.658 ( 2.376 0.289 -0.490) 2.443 1.708 ( -2.912 -2.713 1.458) 4.239 1.735 ( -6.450 -1.489 2.546) 7.092 1.827 ( 1.923 0.841 2.158) 3.011 1.848 ( 3.255 -3.972 0.556) 5.165 2.026 ( 4.166 1.699 -4.239) 6.181 2.084 ( -1.495 2.121 -4.098) 4.850 2.142 ( -1.122 1.161 -2.980) 3.389 2.242 ( 0.119 1.779 3.192) 3.656 2.281 ( -0.579 0.537 -2.409) 2.535 2.316 ( 0.877 0.965 0.939) 1.607 2.410 ( 0.071 0.647 0.395) 0.761 2.545 ( 2.714 1.892 -1.303) 3.556 2.588 ( 0.520 2.392 2.786) 3.708 2.717 ( -2.897 2.021 1.709) 3.924 2.880 ( -1.910 -3.690 -2.371) 4.784 3.193 ( 2.227 -0.894 1.810) 3.006 3.382 ( 0.871 -0.491 -0.209) 1.022 3.515 ( 2.488 -0.042 0.983) 2.675 3.697 ( -1.388 1.090 -4.040) 4.409 3.758 ( -3.317 0.057 1.786) 3.768 3.814 ( -1.840 -3.296 -0.548) 3.814 4.044 ( -2.703 -0.089 -1.612) 3.148 4.242 ( 1.858 2.028 2.189) 3.516 4.627 ( -4.056 3.553 -5.228) 7.511 4.811 ( 2.369 -2.204 -1.032) 3.396 5.097 ( 2.410 -0.851 3.666) 4.469 7.154 ( -0.941 -0.127 -1.351) 1.652 7.912 ( -0.677 -2.701 2.772) 3.929 8.438 ( 3.244 2.470 -2.462) 4.763 9.227 ( 0.665 0.305 1.097) 1.319 9.499 ( -0.942 0.891 -1.133) 1.722 9.568 ( -1.294 -0.604 -2.013) 2.468 9.822 ( 0.545 0.652 1.603) 1.814 9.903 ( -2.426 -2.807 -1.935) 4.184 ======================= Grid point 144 (70/88) ======================= q-point: (-0.29 -0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.674 ( -2.459 0.000 3.109) 3.964 0.942 ( -8.307 0.000 -4.693) 9.541 1.175 ( 4.376 -0.000 4.889) 6.562 1.225 ( 3.469 -0.000 -2.698) 4.395 1.267 ( -2.812 0.000 1.766) 3.321 1.413 ( 5.432 -0.000 3.895) 6.684 1.620 ( -1.856 0.000 0.732) 1.995 1.665 ( 5.023 -0.000 0.729) 5.076 1.694 ( -9.140 0.000 1.275) 9.228 1.713 ( -2.963 0.000 -0.111) 2.965 1.773 ( 4.514 -0.000 4.285) 6.224 1.851 ( 2.890 -0.000 0.803) 2.999 2.038 ( 4.978 -0.000 -4.883) 6.973 2.108 ( -1.873 0.000 -2.065) 2.787 2.154 ( -3.230 0.000 -3.538) 4.790 2.260 ( 1.367 -0.000 0.715) 1.543 2.290 ( -1.604 0.000 -1.922) 2.504 2.330 ( -1.067 0.000 0.367) 1.128 2.416 ( 0.408 -0.000 0.362) 0.546 2.555 ( 3.302 -0.000 1.080) 3.475 2.623 ( -2.315 0.000 1.179) 2.598 2.776 ( 1.301 -0.000 -2.113) 2.481 2.806 ( -2.655 0.000 1.383) 2.994 3.183 ( 2.890 -0.000 1.814) 3.412 3.376 ( 0.875 -0.000 -0.308) 0.928 3.515 ( 3.900 -0.000 0.995) 4.025 3.728 ( 0.037 -0.000 -5.282) 5.282 3.738 ( -2.118 0.000 1.141) 2.406 3.768 ( -5.280 0.000 0.537) 5.308 4.043 ( -2.636 0.000 -1.799) 3.191 4.276 ( 1.998 -0.000 2.346) 3.082 4.708 ( -4.140 0.000 0.848) 4.226 4.738 ( 1.351 -0.000 -7.247) 7.372 5.092 ( 3.856 -0.000 4.405) 5.855 7.153 ( -1.096 0.000 -1.407) 1.784 7.882 ( 0.651 -0.000 3.161) 3.228 8.469 ( 4.064 -0.000 -3.110) 5.117 9.232 ( 1.013 -0.000 1.071) 1.474 9.524 ( -1.347 0.000 -4.094) 4.310 9.545 ( -1.007 0.000 1.595) 1.886 9.848 ( 0.161 -0.000 1.979) 1.986 9.851 ( -4.597 0.000 -2.198) 5.096 ======================= Grid point 145 (71/88) ======================= q-point: (-0.14 -0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.653 ( -4.919 -4.406 4.824) 8.178 0.785 ( -9.010 -3.959 2.263) 10.098 1.211 ( -0.654 2.588 -1.540) 3.082 1.269 ( -0.523 -0.289 -1.159) 1.304 1.301 ( 4.723 -2.777 3.636) 6.576 1.485 ( 1.784 0.395 1.819) 2.578 1.587 ( -5.331 -1.265 2.640) 6.082 1.615 ( 1.164 -2.143 0.722) 2.544 1.676 ( 0.354 1.780 1.680) 2.473 1.752 ( 3.673 0.590 2.654) 4.570 1.821 ( -4.878 -2.201 2.956) 6.114 1.883 ( 2.397 1.143 1.355) 2.981 2.039 ( -4.203 0.991 -4.474) 6.218 2.076 ( 0.499 -0.282 -4.001) 4.041 2.111 ( 2.442 -0.591 -5.216) 5.789 2.237 ( -1.488 0.887 1.310) 2.172 2.281 ( -0.047 0.146 0.370) 0.400 2.352 ( 2.813 0.946 -3.570) 4.643 2.427 ( 1.748 -0.025 -1.159) 2.098 2.519 ( -9.258 0.919 4.429) 10.304 2.607 ( 3.289 1.180 -1.207) 3.697 2.756 ( -0.507 1.465 1.456) 2.127 2.816 ( 0.400 -1.816 -1.524) 2.405 3.224 ( 1.663 -0.163 0.834) 1.867 3.397 ( 1.365 -0.409 -0.089) 1.428 3.602 ( 5.772 1.278 0.662) 5.949 3.686 ( -0.823 1.531 -2.224) 2.823 3.737 ( 0.868 0.202 1.886) 2.086 3.756 ( 0.728 -4.505 -2.271) 5.097 4.002 ( -1.752 -0.067 -0.746) 1.906 4.315 ( 3.602 2.343 3.665) 5.648 4.598 ( -4.224 5.900 -2.602) 7.709 4.764 ( -1.142 -6.361 -4.415) 7.827 5.140 ( 0.755 0.804 3.193) 3.378 7.129 ( -1.293 -0.246 -0.978) 1.640 7.916 ( 1.303 -0.355 4.584) 4.779 8.502 ( 2.918 2.484 -4.878) 6.203 9.235 ( -0.884 0.770 1.251) 1.714 9.484 ( -1.136 0.338 -1.802) 2.157 9.538 ( -0.930 -0.535 0.004) 1.073 9.790 ( -3.274 -3.252 -1.401) 4.823 9.864 ( 0.260 -0.622 2.077) 2.183 ======================= Grid point 152 (72/88) ======================= q-point: (-0.14 -0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.595 ( -2.931 0.000 11.761) 12.121 0.677 ( -1.671 0.000 11.813) 11.931 1.191 ( -1.863 0.000 -1.244) 2.240 1.223 ( -1.909 0.000 -5.710) 6.021 1.398 ( 5.798 -0.000 6.835) 8.963 1.461 ( -14.115 0.000 9.751) 17.155 1.465 ( -3.530 0.000 0.016) 3.530 1.643 ( 2.411 -0.000 -1.122) 2.659 1.679 ( -5.851 0.000 4.512) 7.389 1.759 ( 4.671 -0.000 0.358) 4.685 1.847 ( 3.793 -0.000 3.712) 5.307 1.916 ( -6.449 0.000 -2.261) 6.834 1.929 ( 1.629 -0.000 -1.703) 2.357 2.072 ( -0.627 0.000 -2.658) 2.731 2.139 ( 2.700 -0.000 -5.428) 6.062 2.208 ( -3.681 0.000 -0.147) 3.684 2.305 ( -8.306 0.000 -0.616) 8.328 2.326 ( 5.337 -0.000 -1.448) 5.530 2.434 ( 0.324 -0.000 -4.250) 4.262 2.495 ( 4.459 -0.000 0.507) 4.487 2.646 ( 0.830 -0.000 -3.067) 3.177 2.710 ( -2.573 0.000 -4.979) 5.605 2.853 ( 3.669 -0.000 1.827) 4.098 3.253 ( 1.839 -0.000 0.809) 2.009 3.398 ( -0.746 0.000 -2.002) 2.137 3.671 ( -1.778 0.000 2.013) 2.685 3.701 ( 4.944 -0.000 4.275) 6.536 3.720 ( -0.136 0.000 -2.552) 2.556 3.834 ( 8.428 -0.000 -2.027) 8.668 3.990 ( 0.276 -0.000 1.850) 1.870 4.419 ( 4.429 -0.000 4.028) 5.986 4.593 ( -3.113 0.000 0.100) 3.114 4.638 ( -2.999 0.000 -5.960) 6.672 5.138 ( -2.749 0.000 1.624) 3.193 7.114 ( 0.379 -0.000 -0.080) 0.387 7.959 ( 1.570 -0.000 5.938) 6.142 8.544 ( 2.480 -0.000 -6.258) 6.731 9.214 ( -2.961 0.000 0.168) 2.966 9.484 ( 2.151 -0.000 1.962) 2.912 9.528 ( -0.126 0.000 0.482) 0.498 9.701 ( -3.920 0.000 -0.624) 3.970 9.867 ( -0.473 0.000 1.611) 1.679 ======================= Grid point 153 (73/88) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( -0.000 0.000 -0.000) 0.000 1.056 ( 0.000 -0.000 0.000) 0.000 1.088 ( 0.000 -0.000 -0.000) 0.000 1.095 ( -0.000 0.000 0.000) 0.000 1.225 ( 0.000 -0.000 0.000) 0.000 1.511 ( -0.000 0.000 0.000) 0.000 1.541 ( -0.000 0.000 0.000) 0.000 1.626 ( -0.000 0.000 -0.000) 0.000 1.689 ( -0.000 0.000 0.000) 0.000 1.803 ( -0.000 0.000 0.000) 0.000 1.825 ( -0.000 0.000 0.000) 0.000 1.903 ( -0.000 0.000 0.000) 0.000 1.982 ( -0.000 0.000 0.000) 0.000 2.097 ( -0.000 0.000 0.000) 0.000 2.106 ( -0.000 0.000 -0.000) 0.000 2.136 ( 0.000 -0.000 0.000) 0.000 2.172 ( -0.000 0.000 0.000) 0.000 2.270 ( -0.000 0.000 -0.000) 0.000 2.293 ( 0.000 -0.000 0.000) 0.000 2.417 ( -0.000 0.000 0.000) 0.000 2.527 ( -0.000 0.000 0.000) 0.000 2.599 ( 0.000 -0.000 0.000) 0.000 2.998 ( 0.000 -0.000 0.000) 0.000 3.284 ( -0.000 0.000 0.000) 0.000 3.328 ( 0.000 -0.000 0.000) 0.000 3.676 ( -0.000 0.000 0.000) 0.000 3.734 ( -0.000 0.000 0.000) 0.000 3.933 ( -0.000 0.000 0.000) 0.000 4.034 ( -0.000 0.000 0.000) 0.000 4.134 ( -0.000 0.000 0.000) 0.000 4.168 ( -0.000 0.000 0.000) 0.000 4.488 ( 0.000 -0.000 0.000) 0.000 4.936 ( 0.000 -0.000 0.000) 0.000 4.946 ( -0.000 0.000 0.000) 0.000 7.176 ( -0.000 0.000 0.000) 0.000 8.075 ( -0.000 0.000 0.000) 0.000 8.502 ( -0.000 0.000 0.000) 0.000 9.133 ( -0.000 0.000 0.000) 0.000 9.548 ( 0.000 -0.000 0.000) 0.000 9.613 ( -0.000 0.000 0.000) 0.000 9.752 ( -0.000 0.000 0.000) 0.000 9.789 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 155 (74/88) ======================= q-point: ( 0.14 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.864 ( -6.089 6.748 -5.388) 10.566 1.035 ( -4.811 -7.702 -0.119) 9.082 1.094 ( 1.990 0.722 4.234) 4.733 1.203 ( 2.496 -1.979 -9.623) 10.137 1.292 ( 5.627 -1.281 6.953) 9.036 1.508 ( 2.582 3.249 -0.500) 4.180 1.581 ( 2.756 -0.533 -5.110) 5.830 1.632 ( 1.206 -3.279 0.556) 3.538 1.727 ( -1.212 3.062 -2.995) 4.451 1.793 ( 4.702 -0.848 -4.458) 6.535 1.846 ( 2.490 -1.572 1.506) 3.308 1.889 ( -1.133 1.194 2.816) 3.262 1.951 ( -3.584 -2.145 2.659) 4.951 2.031 ( -2.211 2.007 -4.917) 5.753 2.127 ( 3.563 4.249 3.261) 6.433 2.131 ( -4.106 -0.347 -0.776) 4.193 2.215 ( 2.384 -2.031 3.276) 4.532 2.264 ( 0.479 -1.169 -1.725) 2.138 2.326 ( -0.010 0.196 7.689) 7.691 2.451 ( 3.902 -1.103 3.579) 5.408 2.539 ( 0.364 0.593 1.807) 1.937 2.602 ( 1.664 -0.142 -4.916) 5.192 2.970 ( -2.859 -0.113 -1.408) 3.189 3.284 ( -0.681 1.408 0.774) 1.745 3.335 ( 0.903 -1.897 0.167) 2.107 3.665 ( -0.832 1.975 0.611) 2.229 3.729 ( -1.677 -2.876 1.294) 3.572 3.902 ( -6.207 -0.136 -3.924) 7.345 3.912 ( -6.359 1.162 0.422) 6.478 4.105 ( -2.569 0.157 -2.781) 3.789 4.276 ( 8.472 2.374 4.241) 9.767 4.523 ( 3.354 -0.163 -0.155) 3.361 4.782 ( -9.748 -1.396 -1.985) 10.046 5.068 ( 6.524 0.594 0.260) 6.556 7.158 ( -1.184 0.360 -1.289) 1.787 8.080 ( 1.140 1.097 -3.469) 3.813 8.457 ( -3.901 1.969 3.741) 5.752 9.158 ( 2.887 0.147 -0.114) 2.893 9.536 ( -1.085 0.346 -0.095) 1.143 9.596 ( -0.576 4.022 -1.888) 4.480 9.705 ( -2.341 -5.411 -0.365) 5.907 9.871 ( 3.648 -1.755 -0.986) 4.166 ======================= Grid point 156 (75/88) ======================= q-point: ( 0.29 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.750 ( 1.266 2.811 -6.831) 7.494 1.034 ( -2.949 -3.422 -1.352) 4.716 1.140 ( 2.391 -1.130 1.035) 2.840 1.175 ( -2.625 -1.003 -4.993) 5.730 1.430 ( 4.649 -2.811 5.410) 7.667 1.526 ( 3.016 4.018 1.955) 5.391 1.592 ( 0.624 0.678 -1.719) 1.951 1.619 ( -1.680 3.458 -3.273) 5.049 1.716 ( 0.687 -4.845 -1.864) 5.236 1.827 ( 2.044 2.487 -3.087) 4.460 1.871 ( 0.934 0.550 -1.874) 2.165 1.931 ( -0.060 -1.057 -1.120) 1.541 1.938 ( -4.495 -0.056 -0.109) 4.497 1.990 ( 2.982 -1.565 2.564) 4.233 2.076 ( -1.184 -0.702 0.747) 1.566 2.165 ( 3.780 2.124 3.768) 5.744 2.253 ( 1.105 1.695 0.505) 2.085 2.271 ( 0.274 -2.261 -0.412) 2.315 2.381 ( 0.829 -2.708 5.956) 6.595 2.489 ( 0.288 0.649 2.632) 2.726 2.570 ( -0.339 -0.647 2.812) 2.905 2.640 ( 7.419 0.989 -4.339) 8.651 2.916 ( -2.883 -0.057 -2.814) 4.029 3.251 ( -0.973 1.447 0.471) 1.806 3.379 ( 0.891 -1.645 1.480) 2.385 3.614 ( -3.291 1.594 2.224) 4.280 3.732 ( -6.967 1.137 -1.526) 7.222 3.770 ( -0.940 -3.645 2.220) 4.370 3.837 ( -4.498 -0.216 -2.756) 5.280 4.050 ( -2.517 -0.078 -2.882) 3.827 4.353 ( 4.506 7.202 3.664) 9.252 4.512 ( -3.544 0.162 -5.620) 6.646 4.740 ( 0.764 -5.383 2.005) 5.795 5.137 ( 3.401 1.421 0.073) 3.687 7.138 ( -0.317 -0.017 -1.538) 1.571 8.042 ( -1.683 2.761 -4.026) 5.164 8.404 ( -1.651 1.098 3.950) 4.420 9.205 ( 2.935 0.390 -0.081) 2.962 9.504 ( -1.060 1.611 -1.294) 2.322 9.547 ( -1.474 -0.293 -1.507) 2.129 9.764 ( 1.582 -4.481 1.456) 4.970 9.915 ( 0.860 -0.617 -1.759) 2.053 ======================= Grid point 157 (76/88) ======================= q-point: ( 0.43 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.768 ( 2.530 -0.362 -3.108) 4.024 1.007 ( -1.625 -0.698 -2.004) 2.672 1.141 ( -0.580 0.066 -0.574) 0.818 1.193 ( 1.804 -0.236 0.765) 1.974 1.507 ( -1.824 0.440 -1.491) 2.396 1.510 ( 1.357 -0.863 1.711) 2.348 1.557 ( 1.542 2.074 1.204) 2.851 1.638 ( 1.178 0.080 1.952) 2.281 1.722 ( -2.205 -2.227 -4.630) 5.591 1.815 ( 1.271 2.325 1.502) 3.046 1.849 ( -2.467 -0.744 -2.762) 3.777 1.903 ( 1.042 1.894 0.494) 2.217 1.943 ( 1.213 -1.066 -0.275) 1.638 1.988 ( -3.115 0.149 2.140) 3.782 2.120 ( 1.543 -1.442 0.415) 2.152 2.206 ( 1.458 -0.345 -0.751) 1.676 2.277 ( 2.587 1.074 -0.876) 2.935 2.285 ( -0.634 -0.978 2.306) 2.583 2.426 ( 0.081 -2.089 1.737) 2.718 2.488 ( -0.317 1.468 1.618) 2.208 2.575 ( 1.186 -0.242 -1.777) 2.150 2.752 ( 5.929 -0.594 3.003) 6.673 2.854 ( -3.319 0.865 -3.980) 5.254 3.235 ( -0.113 0.339 0.237) 0.429 3.399 ( 0.084 -0.271 0.777) 0.827 3.546 ( -3.608 0.658 1.911) 4.136 3.634 ( -2.093 0.619 -0.686) 2.288 3.763 ( -2.217 0.193 -1.078) 2.472 3.833 ( 0.706 -2.730 0.714) 2.909 4.022 ( -0.506 -0.603 -0.851) 1.159 4.287 ( -1.720 5.012 -0.875) 5.371 4.481 ( -0.060 -0.679 -1.244) 1.418 4.824 ( 1.739 -2.495 1.226) 3.279 5.155 ( 0.840 0.978 -0.059) 1.291 7.136 ( 0.164 -0.135 -0.616) 0.652 7.976 ( -1.400 1.470 -1.501) 2.525 8.397 ( -0.048 0.232 1.377) 1.397 9.235 ( 1.165 0.215 -0.050) 1.186 9.478 ( -0.413 0.380 -0.710) 0.905 9.533 ( -0.450 -0.250 -0.382) 0.641 9.835 ( 1.453 -2.495 1.570) 3.287 9.908 ( -0.580 0.655 -1.556) 1.785 ======================= Grid point 162 (77/88) ======================= q-point: ( 0.14 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.861 ( -1.207 0.000 -12.255) 12.314 0.897 ( -0.281 0.000 -3.602) 3.613 1.145 ( 2.318 -0.000 3.114) 3.882 1.169 ( -0.514 0.000 -3.069) 3.112 1.388 ( 5.341 -0.000 4.350) 6.888 1.592 ( 1.042 -0.000 -2.971) 3.149 1.608 ( 1.374 -0.000 0.899) 1.642 1.623 ( -0.169 0.000 -7.401) 7.403 1.688 ( -2.056 0.000 2.527) 3.257 1.858 ( 5.075 -0.000 -9.319) 10.612 1.883 ( -0.811 0.000 2.243) 2.385 1.885 ( 2.683 -0.000 2.323) 3.549 1.951 ( 2.758 -0.000 6.335) 6.909 1.967 ( -3.807 0.000 -6.086) 7.179 2.055 ( -4.480 0.000 0.641) 4.525 2.206 ( 3.071 -0.000 -0.439) 3.102 2.268 ( 1.654 -0.000 1.110) 1.992 2.295 ( 2.324 -0.000 8.324) 8.642 2.304 ( -1.121 0.000 2.167) 2.440 2.503 ( 0.180 -0.000 5.932) 5.935 2.557 ( -0.699 0.000 4.140) 4.199 2.659 ( 8.290 -0.000 -5.976) 10.220 2.908 ( -3.431 0.000 -2.498) 4.244 3.267 ( -1.958 0.000 -0.189) 1.967 3.356 ( 2.169 -0.000 1.140) 2.450 3.656 ( -4.138 0.000 3.371) 5.337 3.693 ( 0.674 -0.000 0.285) 0.732 3.750 ( -9.301 0.000 -0.709) 9.328 3.838 ( -4.320 0.000 -2.157) 4.829 4.049 ( -2.846 0.000 -3.008) 4.141 4.436 ( 6.712 -0.000 3.593) 7.613 4.596 ( -9.713 0.000 -2.504) 10.031 4.602 ( 5.525 -0.000 -0.627) 5.560 5.153 ( 3.450 -0.000 0.099) 3.451 7.138 ( -0.537 0.000 -1.826) 1.903 8.071 ( -1.793 0.000 -5.104) 5.410 8.421 ( -2.912 0.000 5.675) 6.378 9.211 ( 2.958 -0.000 0.380) 2.983 9.530 ( -0.068 0.000 0.381) 0.387 9.547 ( -4.751 0.000 -3.365) 5.822 9.701 ( 4.196 -0.000 -0.574) 4.235 9.905 ( 1.891 -0.000 -1.967) 2.728 ======================= Grid point 163 (78/88) ======================= q-point: ( 0.29 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.799 ( 2.471 2.951 -8.551) 9.377 0.930 ( 0.677 -4.729 -8.784) 9.998 1.171 ( 1.407 1.986 1.594) 2.909 1.199 ( 2.388 -0.208 2.974) 3.820 1.449 ( -0.955 -2.185 -4.216) 4.844 1.553 ( 0.317 3.120 -4.675) 5.629 1.604 ( 1.093 0.629 -0.009) 1.261 1.639 ( 2.183 -1.765 0.092) 2.808 1.665 ( -2.071 -0.639 0.285) 2.186 1.826 ( -5.555 0.395 -2.246) 6.005 1.867 ( -1.777 -0.449 1.028) 2.102 1.933 ( 1.225 -0.420 -2.996) 3.263 1.940 ( 1.349 1.583 3.209) 3.824 1.994 ( -1.312 1.702 1.521) 2.633 2.044 ( 3.578 -3.452 -0.322) 4.982 2.237 ( 0.302 -0.046 0.353) 0.467 2.290 ( 1.380 1.923 2.329) 3.320 2.293 ( 1.651 0.713 0.767) 1.955 2.363 ( 0.336 -3.007 3.686) 4.769 2.528 ( 0.196 1.883 4.079) 4.497 2.563 ( 1.271 -1.252 2.376) 2.971 2.763 ( 5.586 1.225 -0.490) 5.740 2.852 ( -3.060 -0.693 -3.443) 4.658 3.239 ( -1.049 0.090 -0.461) 1.150 3.388 ( 0.670 -0.476 0.589) 1.011 3.570 ( -5.212 1.421 2.606) 5.998 3.650 ( -2.429 0.789 -0.120) 2.557 3.734 ( 0.803 -4.437 1.232) 4.675 3.772 ( -2.362 0.288 -1.256) 2.691 4.008 ( -1.306 -0.375 -1.055) 1.720 4.408 ( -6.629 2.935 -4.828) 8.710 4.517 ( 3.770 4.986 4.458) 7.678 4.727 ( 4.095 -5.755 -0.323) 7.071 5.176 ( 0.073 0.712 -0.311) 0.781 7.134 ( 0.430 -0.061 -1.103) 1.185 8.000 ( -3.751 0.662 -3.478) 5.158 8.408 ( -0.698 0.520 3.902) 3.998 9.242 ( 0.849 0.303 0.426) 0.997 9.484 ( -1.681 0.164 -1.576) 2.310 9.536 ( 0.561 0.264 0.593) 0.858 9.780 ( 4.153 -1.930 -0.595) 4.618 9.914 ( 0.265 0.055 -2.555) 2.569 ======================= Grid point 164 (79/88) ======================= q-point: ( 0.43 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( 0.888 1.287 -3.803) 4.112 0.965 ( 1.393 -2.660 -4.450) 5.369 1.167 ( 1.432 2.104 0.276) 2.560 1.216 ( -0.894 0.848 2.763) 3.025 1.433 ( -1.051 -4.379 -6.968) 8.297 1.518 ( -1.168 0.760 -4.776) 4.975 1.596 ( 0.148 3.051 1.072) 3.237 1.649 ( -1.193 1.184 0.042) 1.681 1.705 ( 0.884 -2.004 0.841) 2.347 1.784 ( 2.953 -2.201 -1.086) 3.839 1.849 ( -1.614 -1.589 0.309) 2.286 1.908 ( -1.241 1.152 -2.809) 3.280 1.938 ( -2.395 -1.727 3.591) 4.649 1.991 ( 2.572 3.444 1.047) 4.424 2.109 ( 0.508 -1.196 -0.185) 1.312 2.220 ( -3.373 -2.409 2.140) 4.665 2.299 ( 1.477 3.751 3.358) 5.247 2.313 ( 1.837 1.666 -2.321) 3.397 2.411 ( 1.358 -2.287 -0.931) 2.818 2.501 ( -1.284 1.693 2.679) 3.420 2.589 ( -1.080 0.832 3.193) 3.472 2.775 ( -5.188 1.169 -3.223) 6.218 2.821 ( 1.606 -1.737 2.699) 3.589 3.226 ( -0.903 -0.489 -1.073) 1.485 3.394 ( -0.180 -0.684 -0.885) 1.133 3.541 ( 2.758 0.125 -1.774) 3.282 3.631 ( 0.643 0.455 1.438) 1.639 3.764 ( 2.106 0.231 1.113) 2.393 3.804 ( 0.565 -4.488 1.072) 4.649 4.013 ( 0.748 -0.895 1.313) 1.757 4.286 ( -2.416 3.168 -2.091) 4.499 4.525 ( 1.660 3.584 3.578) 5.329 4.818 ( 1.201 -2.888 -1.414) 3.432 5.147 ( -2.396 0.222 -0.881) 2.563 7.139 ( 0.236 0.098 0.071) 0.266 7.947 ( -1.712 -1.116 -0.901) 2.234 8.402 ( -0.439 0.593 1.280) 1.478 9.235 ( -1.461 0.148 0.328) 1.504 9.472 ( 0.019 -0.156 0.470) 0.496 9.546 ( 1.032 0.733 0.965) 1.592 9.854 ( 2.963 -0.776 -1.312) 3.332 9.901 ( -0.259 0.335 -1.857) 1.904 ======================= Grid point 165 (80/88) ======================= q-point: (-0.43 0.14 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.760 ( -0.970 2.617 1.363) 3.106 0.998 ( 0.492 -4.037 -4.307) 5.924 1.173 ( 0.385 1.249 -1.295) 1.840 1.236 ( 5.274 2.824 6.946) 9.167 1.435 ( -3.524 -1.854 -5.611) 6.880 1.474 ( -2.299 -1.804 -5.174) 5.942 1.566 ( -0.647 0.157 -0.368) 0.761 1.600 ( -0.374 1.136 1.032) 1.579 1.764 ( 0.681 -2.843 3.233) 4.359 1.826 ( -3.173 2.008 0.288) 3.766 1.845 ( 1.227 -0.439 3.137) 3.397 1.891 ( 1.788 -1.801 -2.016) 3.242 1.976 ( -0.171 0.625 -3.955) 4.008 1.986 ( 3.046 -2.099 1.209) 3.892 2.071 ( -3.510 2.746 -0.201) 4.461 2.195 ( -4.224 -1.085 0.608) 4.403 2.245 ( -0.904 4.300 1.762) 4.734 2.325 ( 1.492 2.157 1.259) 2.909 2.418 ( -1.207 1.175 -4.966) 5.244 2.487 ( 0.539 0.590 1.189) 1.433 2.568 ( -1.044 -0.726 3.255) 3.494 2.647 ( -7.016 1.600 -1.374) 7.326 2.885 ( 1.749 -3.184 2.555) 4.441 3.214 ( -1.165 -1.867 -1.776) 2.828 3.398 ( 0.439 -0.226 -1.559) 1.635 3.598 ( 3.625 -0.042 -2.547) 4.431 3.693 ( 5.968 -1.904 1.511) 6.444 3.808 ( 0.344 -0.225 0.076) 0.418 3.852 ( 3.901 0.185 2.650) 4.719 4.050 ( 2.337 -0.143 2.864) 3.699 4.247 ( -1.540 -1.236 -2.242) 2.988 4.538 ( 2.131 2.097 5.507) 6.266 4.814 ( -0.765 1.500 -3.052) 3.486 5.102 ( -3.848 -1.616 -0.815) 4.253 7.140 ( 0.036 0.160 0.949) 0.963 7.967 ( 0.332 -3.878 1.584) 4.202 8.393 ( 0.138 0.202 -1.060) 1.088 9.200 ( -2.861 -0.056 0.459) 2.898 9.484 ( 0.738 -0.310 1.370) 1.587 9.559 ( 1.045 0.759 1.379) 1.889 9.845 ( -0.179 2.870 -3.582) 4.594 9.919 ( 1.188 -0.311 0.774) 1.451 ======================= Grid point 166 (81/88) ======================= q-point: (-0.29 0.14 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.785 ( 5.507 -0.653 4.743) 7.297 1.024 ( -2.080 -4.520 -4.950) 7.019 1.171 ( 3.830 3.648 -2.769) 5.970 1.286 ( -1.028 5.355 9.530) 10.979 1.315 ( -6.594 0.655 -6.098) 9.005 1.457 ( 1.440 -1.141 -3.099) 3.603 1.580 ( 0.946 -1.536 2.502) 3.084 1.664 ( 3.446 -2.758 2.174) 4.920 1.728 ( -2.865 3.776 3.628) 5.970 1.768 ( -3.908 -0.884 4.359) 5.921 1.863 ( -1.455 1.124 -2.853) 3.394 1.896 ( -3.676 0.866 -7.051) 7.999 1.957 ( -0.914 -3.601 2.555) 4.509 1.998 ( -0.650 -3.005 1.151) 3.283 2.066 ( 4.942 4.144 -1.491) 6.620 2.152 ( 0.712 0.513 1.274) 1.547 2.227 ( -0.522 -1.227 -1.059) 1.703 2.311 ( -0.177 3.206 2.137) 3.857 2.333 ( -3.515 2.146 -6.300) 7.526 2.496 ( -2.562 2.363 -3.586) 5.001 2.528 ( 0.015 -0.001 0.462) 0.463 2.592 ( -1.369 -1.395 4.223) 4.653 2.954 ( 2.136 -2.245 1.602) 3.489 3.226 ( -0.349 -3.660 -1.329) 3.909 3.390 ( 0.007 2.009 -1.151) 2.315 3.638 ( 1.712 -0.485 -0.887) 1.988 3.782 ( 0.310 1.510 -0.077) 1.544 3.845 ( 6.005 -4.076 0.043) 7.258 3.930 ( 4.604 1.814 3.866) 6.280 4.102 ( 2.507 0.014 2.526) 3.559 4.209 ( -4.683 -2.638 -3.969) 6.682 4.548 ( -1.303 2.176 2.717) 3.717 4.815 ( 5.623 1.263 -0.456) 5.781 5.042 ( -5.976 -1.836 -0.638) 6.284 7.148 ( 0.503 -0.427 1.012) 1.209 8.024 ( -0.141 -4.251 2.441) 4.904 8.408 ( 1.637 -1.687 -2.093) 3.147 9.156 ( -2.584 -0.024 0.395) 2.614 9.511 ( 1.139 -1.186 1.219) 2.047 9.567 ( 0.067 0.441 0.983) 1.080 9.801 ( 0.640 3.566 -2.123) 4.199 9.919 ( -0.532 2.091 0.813) 2.306 ======================= Grid point 167 (82/88) ======================= q-point: (-0.14 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 Number of triplets: 77 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( -0.000 -4.273 -0.000) 4.273 0.967 ( 0.000 -3.795 0.000) 3.795 1.175 ( 0.000 4.571 -0.000) 4.571 1.185 ( -0.000 5.578 0.000) 5.578 1.239 ( 0.000 1.955 0.000) 1.955 1.503 ( 0.000 -2.859 0.000) 2.859 1.597 ( -0.000 5.660 0.000) 5.660 1.640 ( -0.000 0.389 0.000) 0.389 1.695 ( -0.000 2.843 -0.000) 2.843 1.809 ( -0.000 -1.073 0.000) 1.073 1.813 ( 0.000 -1.732 0.000) 1.732 1.851 ( -0.000 -3.522 0.000) 3.522 1.990 ( 0.000 -3.843 0.000) 3.843 2.043 ( -0.000 1.577 -0.000) 1.577 2.047 ( 0.000 -1.254 -0.000) 1.254 2.177 ( -0.000 0.979 0.000) 0.979 2.241 ( -0.000 5.225 0.000) 5.225 2.260 ( 0.000 -3.786 0.000) 3.786 2.291 ( 0.000 0.573 -0.000) 0.573 2.412 ( -0.000 2.201 0.000) 2.201 2.557 ( -0.000 1.109 0.000) 1.109 2.586 ( 0.000 -1.035 0.000) 1.035 2.994 ( -0.000 -0.858 0.000) 0.858 3.261 ( -0.000 -3.317 0.000) 3.317 3.357 ( -0.000 3.147 0.000) 3.147 3.656 ( -0.000 -0.907 0.000) 0.907 3.767 ( -0.000 2.019 0.000) 2.019 3.940 ( -0.000 -1.045 0.000) 1.045 3.984 ( 0.000 -2.526 0.000) 2.526 4.129 ( -0.000 -0.425 0.000) 0.425 4.161 ( -0.000 -0.652 0.000) 0.652 4.505 ( 0.000 2.012 0.000) 2.012 4.935 ( 0.000 -0.139 0.000) 0.139 4.941 ( -0.000 -0.889 -0.000) 0.889 7.164 ( -0.000 -0.873 0.000) 0.873 8.058 ( -0.000 -2.118 0.000) 2.118 8.454 ( -0.000 -3.523 0.000) 3.523 9.133 ( -0.000 0.037 0.000) 0.037 9.551 ( -0.000 -3.215 0.000) 3.215 9.556 ( 0.000 0.724 -0.000) 0.724 9.781 ( 0.000 2.328 0.000) 2.328 9.870 ( -0.000 4.840 0.000) 4.840 ======================= Grid point 171 (83/88) ======================= q-point: ( 0.29 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.800 ( -0.224 0.000 -7.556) 7.559 0.945 ( 5.287 -0.000 -4.766) 7.118 1.204 ( 0.625 -0.000 -0.461) 0.777 1.214 ( -1.446 0.000 2.516) 2.902 1.374 ( -1.081 0.000 -7.304) 7.384 1.532 ( -4.032 0.000 -7.737) 8.724 1.630 ( 2.894 -0.000 0.633) 2.962 1.687 ( -0.573 0.000 0.618) 0.843 1.697 ( 4.157 -0.000 -0.223) 4.163 1.722 ( -2.164 0.000 -1.802) 2.816 1.824 ( -0.287 0.000 0.260) 0.387 1.913 ( 0.033 -0.000 -4.645) 4.645 1.917 ( -4.261 0.000 6.025) 7.379 2.073 ( 4.406 -0.000 2.652) 5.142 2.086 ( 1.388 -0.000 -0.435) 1.455 2.171 ( -5.912 0.000 4.103) 7.196 2.320 ( 1.584 -0.000 -1.392) 2.109 2.366 ( 0.467 -0.000 4.424) 4.448 2.373 ( 5.124 -0.000 -2.269) 5.604 2.525 ( -2.243 0.000 3.916) 4.513 2.596 ( -0.112 0.000 3.539) 3.540 2.790 ( -2.671 0.000 -3.012) 4.026 2.801 ( -2.133 0.000 1.947) 2.888 3.220 ( -1.365 0.000 -1.389) 1.947 3.383 ( -0.808 0.000 -0.792) 1.132 3.544 ( 1.967 -0.000 -1.784) 2.656 3.646 ( 0.121 -0.000 1.688) 1.692 3.730 ( 1.502 -0.000 1.610) 2.202 3.771 ( 2.306 -0.000 0.861) 2.462 4.003 ( 0.987 -0.000 1.602) 1.881 4.327 ( -3.490 0.000 -2.631) 4.371 4.593 ( -0.372 0.000 5.910) 5.922 4.758 ( 4.380 -0.000 -3.254) 5.457 5.152 ( -3.087 0.000 -1.227) 3.322 7.140 ( 0.433 -0.000 -0.152) 0.459 7.935 ( -3.117 0.000 -1.939) 3.671 8.411 ( -0.683 0.000 2.442) 2.536 9.238 ( -1.651 0.000 0.461) 1.714 9.470 ( 0.134 -0.000 0.673) 0.687 9.555 ( 1.082 -0.000 0.864) 1.385 9.840 ( 4.534 -0.000 -1.337) 4.727 9.906 ( -0.205 0.000 -3.158) 3.165 ======================= Grid point 172 (84/88) ======================= q-point: (-0.57 0.29 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.766 ( -2.494 -2.247 -4.895) 5.936 0.988 ( 2.918 3.652 -2.939) 5.522 1.181 ( -2.025 -1.746 -0.817) 2.796 1.256 ( 6.893 0.381 1.347) 7.034 1.393 ( 2.584 -1.882 -4.813) 5.778 1.437 ( -4.719 -0.984 -5.707) 7.470 1.600 ( -4.066 2.291 -2.412) 5.254 1.650 ( -0.798 2.466 -1.356) 2.925 1.700 ( 1.061 -2.225 2.075) 3.222 1.772 ( -0.130 -2.931 -0.301) 2.950 1.853 ( -0.359 -1.178 -1.897) 2.261 1.874 ( -2.144 0.470 4.037) 4.595 1.972 ( 7.485 -0.421 -7.471) 10.584 2.020 ( -3.900 2.509 5.814) 7.437 2.111 ( 0.501 1.733 2.755) 3.294 2.161 ( -0.731 -2.042 2.552) 3.349 2.317 ( -2.266 1.125 -2.162) 3.328 2.375 ( 1.653 2.446 3.388) 4.494 2.433 ( 2.610 0.345 -1.627) 3.095 2.504 ( -0.692 0.303 1.878) 2.024 2.560 ( -4.747 0.297 4.777) 6.741 2.701 ( -5.440 3.554 -0.980) 6.572 2.795 ( -0.784 -4.779 0.751) 4.901 3.182 ( -2.941 -0.983 -2.570) 4.027 3.374 ( -0.362 -1.295 -0.970) 1.658 3.602 ( 4.758 0.168 -3.984) 6.207 3.673 ( 3.505 0.053 2.238) 4.159 3.772 ( 0.655 -2.189 1.268) 2.613 3.849 ( 6.234 0.019 2.948) 6.896 4.047 ( 2.977 -0.119 3.205) 4.376 4.272 ( -1.967 1.666 -1.996) 3.260 4.585 ( -0.144 1.843 5.837) 6.123 4.810 ( 1.771 -1.068 -3.133) 3.754 5.081 ( -4.948 -0.390 -2.216) 5.435 7.143 ( -0.021 0.108 0.557) 0.568 7.903 ( -1.381 -1.747 -0.218) 2.237 8.404 ( -0.390 0.443 0.648) 0.877 9.201 ( -2.841 0.071 0.527) 2.891 9.485 ( 1.019 0.203 1.994) 2.249 9.573 ( 0.990 0.400 0.896) 1.394 9.884 ( -0.095 0.940 -3.602) 3.723 9.906 ( 2.967 -0.646 -0.790) 3.137 ======================= Grid point 173 (85/88) ======================= q-point: (-0.43 0.29 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.762 ( -0.360 -4.598 -1.019) 4.723 0.968 ( 0.706 2.960 -1.486) 3.387 1.211 ( 4.651 -0.494 -3.613) 5.910 1.339 ( -0.866 1.431 -2.053) 2.648 1.370 ( -1.136 1.037 2.289) 2.757 1.455 ( 4.946 0.162 -2.323) 5.466 1.512 ( -3.554 -1.554 -1.252) 4.076 1.611 ( -2.126 -1.511 -0.231) 2.618 1.748 ( -0.159 -1.297 -0.716) 1.490 1.759 ( -2.737 -1.337 1.784) 3.530 1.856 ( 0.444 -1.807 -0.112) 1.864 1.892 ( 1.698 -2.356 -0.368) 2.927 1.915 ( -3.806 0.548 3.174) 4.986 2.042 ( -1.184 6.464 0.746) 6.614 2.143 ( 1.689 1.204 -1.124) 2.359 2.160 ( 4.828 1.375 -1.317) 5.190 2.219 ( -4.922 1.241 -0.309) 5.086 2.384 ( 1.644 4.081 1.057) 4.525 2.408 ( -2.734 3.599 0.791) 4.588 2.503 ( -0.202 -1.359 -0.545) 1.478 2.544 ( -0.471 -2.528 2.569) 3.635 2.573 ( -4.302 3.679 -0.415) 5.676 2.865 ( 1.294 -5.930 1.183) 6.184 3.149 ( -2.286 -3.254 -2.272) 4.580 3.389 ( 0.081 -1.842 -0.861) 2.035 3.641 ( 2.111 0.637 -1.209) 2.515 3.763 ( 4.348 -2.193 0.789) 4.934 3.793 ( -0.141 -0.985 0.063) 0.997 3.966 ( 6.807 1.120 4.266) 8.111 4.105 ( 2.693 0.190 2.512) 3.688 4.199 ( -3.954 1.364 -3.769) 5.631 4.597 ( 0.666 2.000 4.707) 5.157 4.827 ( 2.287 -0.124 -1.923) 2.991 5.001 ( -5.416 -1.668 -1.962) 5.997 7.144 ( -0.022 -0.057 0.658) 0.660 7.924 ( -0.337 -4.327 0.856) 4.423 8.398 ( 0.300 0.339 -0.510) 0.682 9.158 ( -2.333 0.151 0.446) 2.380 9.505 ( 1.020 0.401 1.604) 1.942 9.582 ( 0.409 0.682 0.715) 1.069 9.854 ( -0.411 1.498 -2.510) 2.952 9.945 ( 1.523 0.387 -0.284) 1.597 ======================= Grid point 174 (86/88) ======================= q-point: (-0.29 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 Number of triplets: 77 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.846 ( -0.000 -7.876 0.000) 7.876 0.933 ( 0.000 2.359 -0.000) 2.359 1.259 ( 0.000 3.007 -0.000) 3.007 1.272 ( -0.000 2.905 0.000) 2.905 1.320 ( 0.000 5.165 -0.000) 5.165 1.452 ( 0.000 -1.727 0.000) 1.727 1.602 ( 0.000 -5.015 0.000) 5.015 1.605 ( -0.000 -4.430 0.000) 4.430 1.734 ( -0.000 -1.321 0.000) 1.321 1.775 ( -0.000 -0.283 -0.000) 0.283 1.854 ( -0.000 1.465 -0.000) 1.465 1.869 ( -0.000 9.857 0.000) 9.857 1.909 ( 0.000 -3.337 -0.000) 3.337 1.983 ( -0.000 -2.057 0.000) 2.057 2.141 ( 0.000 1.121 0.000) 1.121 2.173 ( -0.000 -1.530 -0.000) 1.530 2.203 ( -0.000 2.416 0.000) 2.416 2.326 ( 0.000 4.495 0.000) 4.495 2.355 ( 0.000 4.180 0.000) 4.180 2.475 ( -0.000 2.718 0.000) 2.718 2.550 ( -0.000 -1.543 0.000) 1.543 2.563 ( 0.000 -1.230 -0.000) 1.230 2.939 ( -0.000 -4.645 0.000) 4.645 3.171 ( -0.000 -4.678 0.000) 4.678 3.400 ( -0.000 -0.099 0.000) 0.099 3.651 ( -0.000 0.393 0.000) 0.393 3.793 ( -0.000 0.273 0.000) 0.273 3.841 ( 0.000 -4.763 0.000) 4.763 4.023 ( 0.000 3.747 0.000) 3.747 4.122 ( -0.000 -0.224 0.000) 0.224 4.145 ( -0.000 -0.704 0.000) 0.704 4.570 ( 0.000 3.753 0.000) 3.753 4.900 ( 0.000 -2.932 0.000) 2.932 4.931 ( -0.000 -0.173 0.000) 0.173 7.148 ( -0.000 -0.506 0.000) 0.506 7.976 ( -0.000 -5.177 0.000) 5.177 8.403 ( -0.000 -0.844 0.000) 0.844 9.136 ( -0.000 0.226 0.000) 0.226 9.516 ( -0.000 -0.260 0.000) 0.260 9.576 ( 0.000 0.996 -0.000) 0.996 9.829 ( 0.000 1.905 -0.000) 1.905 9.943 ( -0.000 1.948 0.000) 1.948 ======================= Grid point 180 (87/88) ======================= q-point: ( 0.43 -0.57 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.681 ( -3.137 0.000 -2.673) 4.122 1.102 ( -3.267 0.000 -1.652) 3.661 1.118 ( 9.167 -0.000 -3.505) 9.814 1.350 ( -2.653 0.000 -1.898) 3.262 1.386 ( 6.832 -0.000 0.564) 6.855 1.421 ( 2.307 -0.000 -3.226) 3.966 1.569 ( -7.070 0.000 -1.580) 7.244 1.580 ( -0.359 0.000 -1.756) 1.793 1.700 ( -1.571 0.000 0.399) 1.621 1.758 ( -0.407 0.000 0.387) 0.561 1.830 ( -0.285 0.000 2.330) 2.347 1.857 ( -1.231 0.000 1.409) 1.871 1.926 ( -2.802 0.000 0.592) 2.864 2.129 ( 0.394 -0.000 3.611) 3.633 2.143 ( -0.595 0.000 2.271) 2.347 2.165 ( 8.579 -0.000 -6.949) 11.041 2.275 ( -2.844 0.000 -0.898) 2.982 2.409 ( 0.589 -0.000 2.833) 2.894 2.474 ( -2.811 0.000 2.329) 3.651 2.489 ( -0.901 0.000 -0.338) 0.962 2.494 ( -0.633 0.000 2.465) 2.545 2.647 ( -5.068 0.000 -0.526) 5.095 2.763 ( 1.716 -0.000 0.285) 1.739 3.109 ( -3.473 0.000 -2.580) 4.327 3.359 ( -0.258 0.000 -0.361) 0.444 3.652 ( 2.416 -0.000 -1.919) 3.085 3.743 ( 3.813 -0.000 0.747) 3.885 3.777 ( 0.575 -0.000 0.795) 0.981 3.976 ( 7.753 -0.000 3.947) 8.699 4.108 ( 2.855 -0.000 2.584) 3.851 4.223 ( -4.717 0.000 -3.290) 5.751 4.619 ( 1.543 -0.000 5.492) 5.705 4.821 ( 0.917 -0.000 -2.102) 2.293 4.983 ( -5.084 0.000 -3.017) 5.912 7.143 ( -0.171 0.000 0.517) 0.545 7.875 ( -0.749 0.000 0.206) 0.776 8.404 ( 0.040 -0.000 0.021) 0.045 9.160 ( -2.253 0.000 0.430) 2.294 9.512 ( 1.071 -0.000 1.985) 2.255 9.589 ( 0.567 -0.000 0.434) 0.714 9.869 ( -0.654 0.000 -2.423) 2.510 9.946 ( 2.113 -0.000 -0.786) 2.254 ======================= Grid point 182 (88/88) ======================= q-point: (-0.43 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 Number of triplets: 77 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.682 ( -0.000 -5.692 0.000) 5.692 1.032 ( 0.000 5.481 -0.000) 5.481 1.253 ( 0.000 -3.675 0.000) 3.675 1.320 ( -0.000 1.455 0.000) 1.455 1.417 ( -0.000 3.098 0.000) 3.098 1.426 ( 0.000 -1.003 0.000) 1.003 1.514 ( 0.000 -2.400 0.000) 2.400 1.557 ( -0.000 2.107 0.000) 2.107 1.709 ( -0.000 -5.246 0.000) 5.246 1.744 ( -0.000 1.563 0.000) 1.563 1.848 ( -0.000 -0.139 0.000) 0.139 1.871 ( -0.000 -3.999 0.000) 3.999 1.906 ( -0.000 0.605 -0.000) 0.605 2.129 ( -0.000 6.027 -0.000) 6.027 2.139 ( 0.000 -1.157 0.000) 1.157 2.147 ( 0.000 3.562 0.000) 3.562 2.286 ( -0.000 2.755 0.000) 2.755 2.400 ( 0.000 1.973 0.000) 1.973 2.449 ( -0.000 -4.259 -0.000) 4.259 2.454 ( 0.000 4.106 0.000) 4.106 2.533 ( -0.000 -1.431 0.000) 1.431 2.572 ( -0.000 3.171 0.000) 3.171 2.817 ( -0.000 -5.459 0.000) 5.459 3.087 ( 0.000 -2.686 0.000) 2.686 3.366 ( -0.000 -1.766 0.000) 1.766 3.665 ( -0.000 0.633 0.000) 0.633 3.782 ( -0.000 -1.108 0.000) 1.108 3.786 ( -0.000 -0.544 0.000) 0.544 4.096 ( 0.000 2.330 0.000) 2.330 4.116 ( -0.000 -0.251 -0.000) 0.251 4.137 ( -0.000 -0.044 0.000) 0.044 4.639 ( 0.000 2.199 0.000) 2.199 4.837 ( -0.000 -2.260 0.000) 2.260 4.929 ( -0.000 -0.082 0.000) 0.082 7.143 ( 0.000 -0.071 0.000) 0.071 7.884 ( -0.000 -2.674 0.000) 2.674 8.403 ( -0.000 0.303 0.000) 0.303 9.140 ( -0.000 0.143 0.000) 0.143 9.523 ( -0.000 0.445 0.000) 0.445 9.592 ( 0.000 0.465 0.000) 0.465 9.855 ( -0.000 0.598 -0.000) 0.598 9.961 ( -0.000 0.192 0.000) 0.192 =================== 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 3/12348 10.0 83.652 68.672 59.915 -0.000 6.618 -0.000 3/12348 20.0 14.214 10.039 9.676 -0.000 1.279 -0.000 3/12348 30.0 6.553 4.433 4.454 -0.000 0.585 -0.000 3/12348 40.0 4.164 2.768 2.849 -0.000 0.361 -0.000 3/12348 50.0 3.056 2.010 2.104 -0.000 0.257 -0.000 3/12348 60.0 2.426 1.584 1.679 -0.000 0.198 -0.000 3/12348 70.0 2.021 1.312 1.404 -0.000 0.160 -0.000 3/12348 80.0 1.739 1.125 1.212 -0.000 0.134 -0.000 3/12348 90.0 1.531 0.988 1.070 -0.000 0.115 -0.000 3/12348 100.0 1.371 0.883 0.961 -0.000 0.100 -0.000 3/12348 110.0 1.244 0.800 0.873 -0.000 0.089 -0.000 3/12348 120.0 1.140 0.733 0.802 -0.000 0.080 -0.000 3/12348 130.0 1.053 0.677 0.742 -0.000 0.072 -0.000 3/12348 140.0 0.979 0.630 0.691 0.000 0.065 -0.000 3/12348 150.0 0.916 0.590 0.647 0.000 0.060 -0.000 3/12348 160.0 0.861 0.555 0.609 0.000 0.055 -0.000 3/12348 170.0 0.812 0.524 0.575 0.000 0.051 -0.000 3/12348 180.0 0.769 0.496 0.545 0.000 0.048 -0.000 3/12348 190.0 0.730 0.472 0.518 0.000 0.045 -0.000 3/12348 200.0 0.695 0.449 0.494 0.000 0.042 -0.000 3/12348 210.0 0.664 0.429 0.471 0.000 0.040 -0.000 3/12348 220.0 0.635 0.411 0.451 0.000 0.038 -0.000 3/12348 230.0 0.609 0.394 0.433 0.000 0.036 -0.000 3/12348 240.0 0.584 0.379 0.416 0.000 0.034 -0.000 3/12348 250.0 0.562 0.364 0.400 0.000 0.033 -0.000 3/12348 260.0 0.541 0.351 0.386 0.000 0.031 -0.000 3/12348 270.0 0.522 0.339 0.372 0.000 0.030 -0.000 3/12348 280.0 0.504 0.328 0.359 0.000 0.029 -0.000 3/12348 290.0 0.488 0.317 0.348 0.000 0.028 -0.000 3/12348 300.0 0.472 0.307 0.337 0.000 0.027 -0.000 3/12348 310.0 0.458 0.298 0.326 0.000 0.026 -0.000 3/12348 320.0 0.444 0.289 0.317 0.000 0.025 -0.000 3/12348 330.0 0.431 0.281 0.307 0.000 0.024 -0.000 3/12348 340.0 0.419 0.273 0.299 0.000 0.023 -0.000 3/12348 350.0 0.407 0.265 0.291 0.000 0.022 -0.000 3/12348 360.0 0.396 0.258 0.283 0.000 0.022 -0.000 3/12348 370.0 0.386 0.252 0.276 0.000 0.021 -0.000 3/12348 380.0 0.376 0.245 0.269 0.000 0.021 -0.000 3/12348 390.0 0.367 0.239 0.262 0.000 0.020 -0.000 3/12348 400.0 0.358 0.234 0.256 0.000 0.019 -0.000 3/12348 410.0 0.349 0.228 0.250 0.000 0.019 -0.000 3/12348 420.0 0.341 0.223 0.244 0.000 0.019 -0.000 3/12348 430.0 0.334 0.218 0.239 0.000 0.018 -0.000 3/12348 440.0 0.326 0.213 0.233 0.000 0.018 -0.000 3/12348 450.0 0.319 0.209 0.228 0.000 0.017 -0.000 3/12348 460.0 0.313 0.204 0.224 0.000 0.017 -0.000 3/12348 470.0 0.306 0.200 0.219 0.000 0.016 -0.000 3/12348 480.0 0.300 0.196 0.215 0.000 0.016 -0.000 3/12348 490.0 0.294 0.192 0.210 0.000 0.016 -0.000 3/12348 500.0 0.288 0.189 0.206 0.000 0.015 -0.000 3/12348 510.0 0.283 0.185 0.202 0.000 0.015 -0.000 3/12348 520.0 0.277 0.182 0.199 0.000 0.015 -0.000 3/12348 530.0 0.272 0.178 0.195 0.000 0.015 -0.000 3/12348 540.0 0.267 0.175 0.192 0.000 0.014 -0.000 3/12348 550.0 0.263 0.172 0.188 0.000 0.014 -0.000 3/12348 560.0 0.258 0.169 0.185 0.000 0.014 -0.000 3/12348 570.0 0.254 0.166 0.182 0.000 0.014 -0.000 3/12348 580.0 0.249 0.164 0.179 0.000 0.013 -0.000 3/12348 590.0 0.245 0.161 0.176 0.000 0.013 -0.000 3/12348 600.0 0.241 0.158 0.173 0.000 0.013 -0.000 3/12348 610.0 0.237 0.156 0.170 0.000 0.013 -0.000 3/12348 620.0 0.234 0.153 0.167 0.000 0.012 -0.000 3/12348 630.0 0.230 0.151 0.165 0.000 0.012 -0.000 3/12348 640.0 0.226 0.149 0.162 0.000 0.012 -0.000 3/12348 650.0 0.223 0.147 0.160 0.000 0.012 -0.000 3/12348 660.0 0.220 0.144 0.158 0.000 0.012 -0.000 3/12348 670.0 0.217 0.142 0.155 0.000 0.011 -0.000 3/12348 680.0 0.213 0.140 0.153 0.000 0.011 -0.000 3/12348 690.0 0.210 0.138 0.151 0.000 0.011 -0.000 3/12348 700.0 0.207 0.136 0.149 0.000 0.011 -0.000 3/12348 710.0 0.205 0.134 0.147 0.000 0.011 -0.000 3/12348 720.0 0.202 0.133 0.145 0.000 0.011 -0.000 3/12348 730.0 0.199 0.131 0.143 0.000 0.011 -0.000 3/12348 740.0 0.196 0.129 0.141 0.000 0.010 -0.000 3/12348 750.0 0.194 0.128 0.139 0.000 0.010 -0.000 3/12348 760.0 0.191 0.126 0.137 0.000 0.010 -0.000 3/12348 770.0 0.189 0.124 0.136 0.000 0.010 -0.000 3/12348 780.0 0.187 0.123 0.134 0.000 0.010 -0.000 3/12348 790.0 0.184 0.121 0.132 0.000 0.010 -0.000 3/12348 800.0 0.182 0.120 0.131 0.000 0.010 -0.000 3/12348 810.0 0.180 0.118 0.129 0.000 0.009 -0.000 3/12348 820.0 0.178 0.117 0.127 0.000 0.009 -0.000 3/12348 830.0 0.175 0.116 0.126 0.000 0.009 -0.000 3/12348 840.0 0.173 0.114 0.124 0.000 0.009 -0.000 3/12348 850.0 0.171 0.113 0.123 0.000 0.009 -0.000 3/12348 860.0 0.169 0.112 0.122 0.000 0.009 -0.000 3/12348 870.0 0.168 0.110 0.120 0.000 0.009 -0.000 3/12348 880.0 0.166 0.109 0.119 0.000 0.009 -0.000 3/12348 890.0 0.164 0.108 0.118 0.000 0.009 -0.000 3/12348 900.0 0.162 0.107 0.116 0.000 0.009 -0.000 3/12348 910.0 0.160 0.106 0.115 0.000 0.008 -0.000 3/12348 920.0 0.159 0.104 0.114 0.000 0.008 -0.000 3/12348 930.0 0.157 0.103 0.113 0.000 0.008 -0.000 3/12348 940.0 0.155 0.102 0.111 0.000 0.008 -0.000 3/12348 950.0 0.154 0.101 0.110 0.000 0.008 -0.000 3/12348 960.0 0.152 0.100 0.109 0.000 0.008 -0.000 3/12348 970.0 0.151 0.099 0.108 0.000 0.008 -0.000 3/12348 980.0 0.149 0.098 0.107 0.000 0.008 -0.000 3/12348 990.0 0.148 0.097 0.106 0.000 0.008 -0.000 3/12348 1000.0 0.146 0.096 0.105 0.000 0.008 -0.000 3/12348 Thermal conductivity related properties were written into "kappa-m776.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:09:19]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|