----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 23:04:04]------------------------- 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: [1 2 2] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.424528640815354 -2.824458945000000 0.000000000000000 b 6.424528640815354 2.824458945000000 0.000000000000000 c -1.291480896215932 0.000000000000000 5.562174434950937 Atomic positions (fractional): *1 Bi 0.32254436848474 0.88894449740268 0.58475810601727 208.980 2 Bi 0.88894449740267 0.32254436848474 0.08475810601727 208.980 3 Bi 0.11105550259733 0.67745563151526 0.91524189398273 208.980 4 Bi 0.67745563151526 0.11105550259732 0.41524189398273 208.980 *5 O 0.96300803126120 0.03699196873880 0.75000000000000 15.999 6 O 0.03699196873880 0.96300803126120 0.25000000000000 15.999 *7 F 0.45188187731462 0.70233490306644 0.95070140346368 18.998 8 F 0.70233490306644 0.45188187731462 0.45070140346368 18.998 *9 F 0.15888383227741 0.27220798760271 0.83477378377887 18.998 10 F 0.27220798760271 0.15888383227741 0.33477378377887 18.998 11 F 0.72779201239729 0.84111616772259 0.66522621622113 18.998 12 F 0.84111616772259 0.72779201239729 0.16522621622114 18.998 13 F 0.29766509693356 0.54811812268538 0.54929859653632 18.998 14 F 0.54811812268538 0.29766509693356 0.04929859653632 18.998 -------------------------------- unit cell --------------------------------- Lattice vectors: a 12.849057281630708 0.000000000000000 0.000000000000000 b 0.000000000000000 5.648917890000000 0.000000000000000 c -1.291480896215932 0.000000000000000 5.562174434950937 Atomic positions (fractional): *1 Bi 0.60574443294371 0.28320006445897 0.58475810601727 208.980 > 1 2 Bi 0.60574443294371 0.71679993554103 0.08475810601727 208.980 > 2 3 Bi 0.89425556705629 0.78320006445897 0.91524189398273 208.980 > 3 4 Bi 0.89425556705629 0.21679993554103 0.41524189398273 208.980 > 4 5 Bi 0.10574443294371 0.78320006445897 0.58475810601727 208.980 > 1 6 Bi 0.10574443294371 0.21679993554103 0.08475810601727 208.980 > 2 7 Bi 0.39425556705629 0.28320006445897 0.91524189398273 208.980 > 3 8 Bi 0.39425556705629 0.71679993554103 0.41524189398273 208.980 > 4 *9 O 0.00000000000000 0.03699196873880 0.75000000000000 15.999 > 5 10 O 0.00000000000000 0.96300803126120 0.25000000000000 15.999 > 6 11 O 0.50000000000000 0.53699196873880 0.75000000000000 15.999 > 5 12 O 0.50000000000000 0.46300803126120 0.25000000000000 15.999 > 6 *13 F 0.57710839019053 0.12522651287591 0.95070140346368 18.998 > 7 14 F 0.57710839019053 0.87477348712409 0.45070140346368 18.998 > 8 *15 F 0.71554590994006 0.55666207766265 0.83477378377887 18.998 > 9 16 F 0.71554590994006 0.44333792233735 0.33477378377887 18.998 > 10 17 F 0.78445409005994 0.05666207766265 0.66522621622113 18.998 > 11 18 F 0.78445409005994 0.94333792233735 0.16522621622114 18.998 > 12 19 F 0.92289160980947 0.62522651287591 0.54929859653632 18.998 > 13 20 F 0.92289160980947 0.37477348712409 0.04929859653632 18.998 > 14 21 F 0.07710839019053 0.62522651287591 0.95070140346368 18.998 > 7 22 F 0.07710839019053 0.37477348712409 0.45070140346368 18.998 > 8 23 F 0.21554590994006 0.05666207766265 0.83477378377887 18.998 > 9 24 F 0.21554590994006 0.94333792233735 0.33477378377887 18.998 > 10 25 F 0.28445409005994 0.55666207766265 0.66522621622113 18.998 > 11 26 F 0.28445409005994 0.44333792233735 0.16522621622114 18.998 > 12 27 F 0.42289160980947 0.12522651287591 0.54929859653632 18.998 > 13 28 F 0.42289160980947 0.87477348712409 0.04929859653632 18.998 > 14 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.849057281630708 0.000000000000000 0.000000000000000 b 0.000000000000000 11.297835780000000 0.000000000000000 c -2.582961792431864 0.000000000000000 11.124348869901874 Atomic positions (fractional): *1 Bi 0.60574443294371 0.14160003222948 0.29237905300863 208.980 > 1 2 Bi 0.60574443294371 0.64160003222948 0.29237905300863 208.980 > 1 3 Bi 0.60574443294371 0.14160003222948 0.79237905300863 208.980 > 1 4 Bi 0.60574443294371 0.64160003222948 0.79237905300863 208.980 > 1 5 Bi 0.60574443294371 0.35839996777052 0.04237905300863 208.980 > 2 6 Bi 0.60574443294371 0.85839996777052 0.04237905300863 208.980 > 2 7 Bi 0.60574443294371 0.35839996777052 0.54237905300863 208.980 > 2 8 Bi 0.60574443294371 0.85839996777052 0.54237905300863 208.980 > 2 9 Bi 0.89425556705629 0.39160003222948 0.45762094699137 208.980 > 3 10 Bi 0.89425556705629 0.89160003222948 0.45762094699137 208.980 > 3 11 Bi 0.89425556705629 0.39160003222948 0.95762094699137 208.980 > 3 12 Bi 0.89425556705629 0.89160003222948 0.95762094699137 208.980 > 3 13 Bi 0.89425556705629 0.10839996777052 0.20762094699137 208.980 > 4 14 Bi 0.89425556705629 0.60839996777052 0.20762094699137 208.980 > 4 15 Bi 0.89425556705629 0.10839996777052 0.70762094699137 208.980 > 4 16 Bi 0.89425556705629 0.60839996777052 0.70762094699137 208.980 > 4 17 Bi 0.10574443294371 0.39160003222948 0.29237905300863 208.980 > 1 18 Bi 0.10574443294371 0.89160003222948 0.29237905300863 208.980 > 1 19 Bi 0.10574443294371 0.39160003222948 0.79237905300863 208.980 > 1 20 Bi 0.10574443294371 0.89160003222948 0.79237905300863 208.980 > 1 21 Bi 0.10574443294371 0.10839996777052 0.04237905300863 208.980 > 2 22 Bi 0.10574443294371 0.60839996777052 0.04237905300863 208.980 > 2 23 Bi 0.10574443294371 0.10839996777052 0.54237905300863 208.980 > 2 24 Bi 0.10574443294371 0.60839996777052 0.54237905300863 208.980 > 2 25 Bi 0.39425556705629 0.14160003222948 0.45762094699137 208.980 > 3 26 Bi 0.39425556705629 0.64160003222948 0.45762094699137 208.980 > 3 27 Bi 0.39425556705629 0.14160003222948 0.95762094699137 208.980 > 3 28 Bi 0.39425556705629 0.64160003222948 0.95762094699137 208.980 > 3 29 Bi 0.39425556705629 0.35839996777052 0.20762094699137 208.980 > 4 30 Bi 0.39425556705629 0.85839996777052 0.20762094699137 208.980 > 4 31 Bi 0.39425556705629 0.35839996777052 0.70762094699137 208.980 > 4 32 Bi 0.39425556705629 0.85839996777052 0.70762094699137 208.980 > 4 *33 O 0.00000000000000 0.01849598436940 0.37500000000000 15.999 > 5 34 O 0.00000000000000 0.51849598436940 0.37500000000000 15.999 > 5 35 O 0.00000000000000 0.01849598436940 0.87500000000000 15.999 > 5 36 O 0.00000000000000 0.51849598436940 0.87500000000000 15.999 > 5 37 O 0.00000000000000 0.48150401563060 0.12500000000000 15.999 > 6 38 O 0.00000000000000 0.98150401563060 0.12500000000000 15.999 > 6 39 O 0.00000000000000 0.48150401563060 0.62500000000000 15.999 > 6 40 O 0.00000000000000 0.98150401563060 0.62500000000000 15.999 > 6 41 O 0.50000000000000 0.26849598436940 0.37500000000000 15.999 > 5 42 O 0.50000000000000 0.76849598436940 0.37500000000000 15.999 > 5 43 O 0.50000000000000 0.26849598436940 0.87500000000000 15.999 > 5 44 O 0.50000000000000 0.76849598436940 0.87500000000000 15.999 > 5 45 O 0.50000000000000 0.23150401563060 0.12500000000000 15.999 > 6 46 O 0.50000000000000 0.73150401563060 0.12500000000000 15.999 > 6 47 O 0.50000000000000 0.23150401563060 0.62500000000000 15.999 > 6 48 O 0.50000000000000 0.73150401563060 0.62500000000000 15.999 > 6 *49 F 0.57710839019053 0.06261325643796 0.47535070173184 18.998 > 7 50 F 0.57710839019053 0.56261325643796 0.47535070173184 18.998 > 7 51 F 0.57710839019053 0.06261325643796 0.97535070173184 18.998 > 7 52 F 0.57710839019053 0.56261325643796 0.97535070173184 18.998 > 7 53 F 0.57710839019053 0.43738674356204 0.22535070173184 18.998 > 8 54 F 0.57710839019053 0.93738674356204 0.22535070173184 18.998 > 8 55 F 0.57710839019053 0.43738674356204 0.72535070173184 18.998 > 8 56 F 0.57710839019053 0.93738674356204 0.72535070173184 18.998 > 8 *57 F 0.71554590994006 0.27833103883133 0.41738689188943 18.998 > 9 58 F 0.71554590994006 0.77833103883133 0.41738689188943 18.998 > 9 59 F 0.71554590994006 0.27833103883133 0.91738689188943 18.998 > 9 60 F 0.71554590994006 0.77833103883133 0.91738689188943 18.998 > 9 61 F 0.71554590994006 0.22166896116867 0.16738689188943 18.998 > 10 62 F 0.71554590994006 0.72166896116867 0.16738689188943 18.998 > 10 63 F 0.71554590994006 0.22166896116867 0.66738689188943 18.998 > 10 64 F 0.71554590994006 0.72166896116867 0.66738689188943 18.998 > 10 65 F 0.78445409005994 0.02833103883133 0.33261310811057 18.998 > 11 66 F 0.78445409005994 0.52833103883133 0.33261310811057 18.998 > 11 67 F 0.78445409005994 0.02833103883133 0.83261310811057 18.998 > 11 68 F 0.78445409005994 0.52833103883133 0.83261310811057 18.998 > 11 69 F 0.78445409005994 0.47166896116867 0.08261310811057 18.998 > 12 70 F 0.78445409005994 0.97166896116867 0.08261310811057 18.998 > 12 71 F 0.78445409005994 0.47166896116867 0.58261310811057 18.998 > 12 72 F 0.78445409005994 0.97166896116867 0.58261310811057 18.998 > 12 73 F 0.92289160980947 0.31261325643796 0.27464929826816 18.998 > 13 74 F 0.92289160980947 0.81261325643796 0.27464929826816 18.998 > 13 75 F 0.92289160980947 0.31261325643796 0.77464929826816 18.998 > 13 76 F 0.92289160980947 0.81261325643796 0.77464929826816 18.998 > 13 77 F 0.92289160980947 0.18738674356204 0.02464929826816 18.998 > 14 78 F 0.92289160980947 0.68738674356204 0.02464929826816 18.998 > 14 79 F 0.92289160980947 0.18738674356204 0.52464929826816 18.998 > 14 80 F 0.92289160980947 0.68738674356204 0.52464929826816 18.998 > 14 81 F 0.07710839019053 0.31261325643796 0.47535070173184 18.998 > 7 82 F 0.07710839019053 0.81261325643796 0.47535070173184 18.998 > 7 83 F 0.07710839019053 0.31261325643796 0.97535070173184 18.998 > 7 84 F 0.07710839019053 0.81261325643796 0.97535070173184 18.998 > 7 85 F 0.07710839019053 0.18738674356204 0.22535070173184 18.998 > 8 86 F 0.07710839019053 0.68738674356204 0.22535070173184 18.998 > 8 87 F 0.07710839019053 0.18738674356204 0.72535070173184 18.998 > 8 88 F 0.07710839019053 0.68738674356204 0.72535070173184 18.998 > 8 89 F 0.21554590994006 0.02833103883133 0.41738689188943 18.998 > 9 90 F 0.21554590994006 0.52833103883133 0.41738689188943 18.998 > 9 91 F 0.21554590994006 0.02833103883133 0.91738689188943 18.998 > 9 92 F 0.21554590994006 0.52833103883133 0.91738689188943 18.998 > 9 93 F 0.21554590994006 0.47166896116867 0.16738689188943 18.998 > 10 94 F 0.21554590994006 0.97166896116867 0.16738689188943 18.998 > 10 95 F 0.21554590994006 0.47166896116867 0.66738689188943 18.998 > 10 96 F 0.21554590994006 0.97166896116867 0.66738689188943 18.998 > 10 97 F 0.28445409005994 0.27833103883133 0.33261310811057 18.998 > 11 98 F 0.28445409005994 0.77833103883133 0.33261310811057 18.998 > 11 99 F 0.28445409005994 0.27833103883133 0.83261310811057 18.998 > 11 100 F 0.28445409005994 0.77833103883133 0.83261310811057 18.998 > 11 101 F 0.28445409005994 0.22166896116867 0.08261310811057 18.998 > 12 102 F 0.28445409005994 0.72166896116867 0.08261310811057 18.998 > 12 103 F 0.28445409005994 0.22166896116867 0.58261310811057 18.998 > 12 104 F 0.28445409005994 0.72166896116867 0.58261310811057 18.998 > 12 105 F 0.42289160980947 0.06261325643796 0.27464929826816 18.998 > 13 106 F 0.42289160980947 0.56261325643796 0.27464929826816 18.998 > 13 107 F 0.42289160980947 0.06261325643796 0.77464929826816 18.998 > 13 108 F 0.42289160980947 0.56261325643796 0.77464929826816 18.998 > 13 109 F 0.42289160980947 0.43738674356204 0.02464929826816 18.998 > 14 110 F 0.42289160980947 0.93738674356204 0.02464929826816 18.998 > 14 111 F 0.42289160980947 0.43738674356204 0.52464929826816 18.998 > 14 112 F 0.42289160980947 0.93738674356204 0.52464929826816 18.998 > 14 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.0708799 0.0000000 -0.0190126 0.0000000 4.1113437 0.0000000 -0.0190129 0.0000000 4.2584696 -------------------------- Born effective charges -------------------------- 1 Bi 4.5132668 -0.2230473 -0.1984616 -0.0197720 4.5235586 -0.2305508 -0.2401696 0.0962947 4.6246014 2 Bi 4.5132668 0.2230473 -0.1984616 0.0197720 4.5235586 0.2305508 -0.2401696 -0.0962947 4.6246014 3 Bi 4.5132668 0.2230473 -0.1984616 0.0197720 4.5235586 0.2305508 -0.2401696 -0.0962947 4.6246014 4 Bi 4.5132668 -0.2230473 -0.1984616 -0.0197720 4.5235586 -0.2305508 -0.2401696 0.0962947 4.6246014 5 O -2.1309551 0.0000000 -0.0413502 0.0000000 -2.1165736 0.0000000 -0.1191757 0.0000000 -3.2951991 6 O -2.1309551 0.0000000 -0.0413502 0.0000000 -2.1165736 0.0000000 -0.1191757 0.0000000 -3.2951991 7 F -1.2465037 0.2193577 0.2685838 0.2238884 -2.0859035 0.7557122 0.4247766 0.8264113 -1.5850927 8 F -1.2465037 -0.2193577 0.2685838 -0.2238884 -2.0859035 -0.7557122 0.4247766 -0.8264113 -1.5850927 9 F -2.2012855 -0.5029882 -0.0494471 -0.4816124 -1.3793683 -0.7953025 -0.1250191 -0.9487192 -1.3919092 10 F -2.2012855 0.5029882 -0.0494471 0.4816124 -1.3793683 0.7953025 -0.1250191 0.9487192 -1.3919092 11 F -2.2012855 0.5029882 -0.0494471 0.4816124 -1.3793683 0.7953025 -0.1250191 0.9487192 -1.3919092 12 F -2.2012855 -0.5029882 -0.0494471 -0.4816124 -1.3793683 -0.7953025 -0.1250191 -0.9487192 -1.3919092 13 F -1.2465037 -0.2193577 0.2685838 -0.2238884 -2.0859035 -0.7557122 0.4247766 -0.8264113 -1.5850927 14 F -1.2465037 0.2193577 0.2685838 0.2238884 -2.0859035 0.7557122 0.4247766 0.8264113 -1.5850927 ---------------------------------------------------------------------------- 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: 8736/8736 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1850 Number of blocks in projector: 1850 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: 396 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 388 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 388 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 226 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 226 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 226 Use standard eigh solver. Tree of FC basis block matrices: - (1850, 1819), data: False |-- (226, 222), data: True |-- (226, 222), data: True |-- (226, 222), data: True |-- (388, 382), data: True |-- (388, 382), data: True |-- (396, 389), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 480 - Time: 2.985 Solver_block: 200 / 480 - Time: 2.927 Solver_block: 300 / 480 - Time: 2.916 Solver_block: 400 / 480 - Time: 2.923 Solver_block: 480 / 480 - Time: 2.360 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.159 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 336/336 Permutation basis: 8736/8736 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1850 Number of blocks in projector: 1850 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: 396 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 388 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 388 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 226 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 226 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 226 Use standard eigh solver. Tree of FC basis block matrices: - (1850, 1819), data: False |-- (226, 222), data: True |-- (226, 222), data: True |-- (226, 222), data: True |-- (388, 382), data: True |-- (388, 382), data: True |-- (396, 389), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 23:04:39]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:04:39]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 2] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.424528640815354 -2.824458945000000 0.000000000000000 b 6.424528640815354 2.824458945000000 0.000000000000000 c -1.291480896215932 0.000000000000000 5.562174434950937 Atomic positions (fractional): 1 Bi 0.32254436848474 0.88894449740268 0.58475810601727 208.980 2 Bi 0.88894449740267 0.32254436848474 0.08475810601727 208.980 3 Bi 0.11105550259733 0.67745563151526 0.91524189398273 208.980 4 Bi 0.67745563151526 0.11105550259732 0.41524189398273 208.980 5 O 0.96300803126120 0.03699196873880 0.75000000000000 15.999 6 O 0.03699196873880 0.96300803126120 0.25000000000000 15.999 7 F 0.45188187731462 0.70233490306644 0.95070140346368 18.998 8 F 0.70233490306644 0.45188187731462 0.45070140346368 18.998 9 F 0.15888383227741 0.27220798760271 0.83477378377887 18.998 10 F 0.27220798760271 0.15888383227741 0.33477378377887 18.998 11 F 0.72779201239729 0.84111616772259 0.66522621622113 18.998 12 F 0.84111616772259 0.72779201239729 0.16522621622114 18.998 13 F 0.29766509693356 0.54811812268538 0.54929859653632 18.998 14 F 0.54811812268538 0.29766509693356 0.04929859653632 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.849057281630708 0.000000000000000 0.000000000000000 b 0.000000000000000 11.297835780000000 0.000000000000000 c -2.582961792431864 0.000000000000000 11.124348869901874 Atomic positions (fractional): 1 Bi 0.60574443294371 0.14160003222948 0.29237905300863 208.980 > 1 2 Bi 0.60574443294371 0.64160003222948 0.29237905300863 208.980 > 1 3 Bi 0.60574443294371 0.14160003222948 0.79237905300863 208.980 > 1 4 Bi 0.60574443294371 0.64160003222948 0.79237905300863 208.980 > 1 5 Bi 0.60574443294371 0.35839996777052 0.04237905300863 208.980 > 5 6 Bi 0.60574443294371 0.85839996777052 0.04237905300863 208.980 > 5 7 Bi 0.60574443294371 0.35839996777052 0.54237905300863 208.980 > 5 8 Bi 0.60574443294371 0.85839996777052 0.54237905300863 208.980 > 5 9 Bi 0.89425556705629 0.39160003222948 0.45762094699137 208.980 > 9 10 Bi 0.89425556705629 0.89160003222948 0.45762094699137 208.980 > 9 11 Bi 0.89425556705629 0.39160003222948 0.95762094699137 208.980 > 9 12 Bi 0.89425556705629 0.89160003222948 0.95762094699137 208.980 > 9 13 Bi 0.89425556705629 0.10839996777052 0.20762094699137 208.980 > 13 14 Bi 0.89425556705629 0.60839996777052 0.20762094699137 208.980 > 13 15 Bi 0.89425556705629 0.10839996777052 0.70762094699137 208.980 > 13 16 Bi 0.89425556705629 0.60839996777052 0.70762094699137 208.980 > 13 17 Bi 0.10574443294371 0.39160003222948 0.29237905300863 208.980 > 1 18 Bi 0.10574443294371 0.89160003222948 0.29237905300863 208.980 > 1 19 Bi 0.10574443294371 0.39160003222948 0.79237905300863 208.980 > 1 20 Bi 0.10574443294371 0.89160003222948 0.79237905300863 208.980 > 1 21 Bi 0.10574443294371 0.10839996777052 0.04237905300863 208.980 > 5 22 Bi 0.10574443294371 0.60839996777052 0.04237905300863 208.980 > 5 23 Bi 0.10574443294371 0.10839996777052 0.54237905300863 208.980 > 5 24 Bi 0.10574443294371 0.60839996777052 0.54237905300863 208.980 > 5 25 Bi 0.39425556705629 0.14160003222948 0.45762094699137 208.980 > 9 26 Bi 0.39425556705629 0.64160003222948 0.45762094699137 208.980 > 9 27 Bi 0.39425556705629 0.14160003222948 0.95762094699137 208.980 > 9 28 Bi 0.39425556705629 0.64160003222948 0.95762094699137 208.980 > 9 29 Bi 0.39425556705629 0.35839996777052 0.20762094699137 208.980 > 13 30 Bi 0.39425556705629 0.85839996777052 0.20762094699137 208.980 > 13 31 Bi 0.39425556705629 0.35839996777052 0.70762094699137 208.980 > 13 32 Bi 0.39425556705629 0.85839996777052 0.70762094699137 208.980 > 13 33 O 0.00000000000000 0.01849598436940 0.37500000000000 15.999 > 33 34 O 0.00000000000000 0.51849598436940 0.37500000000000 15.999 > 33 35 O 0.00000000000000 0.01849598436940 0.87500000000000 15.999 > 33 36 O 0.00000000000000 0.51849598436940 0.87500000000000 15.999 > 33 37 O 0.00000000000000 0.48150401563060 0.12500000000000 15.999 > 37 38 O 0.00000000000000 0.98150401563060 0.12500000000000 15.999 > 37 39 O 0.00000000000000 0.48150401563060 0.62500000000000 15.999 > 37 40 O 0.00000000000000 0.98150401563060 0.62500000000000 15.999 > 37 41 O 0.50000000000000 0.26849598436940 0.37500000000000 15.999 > 33 42 O 0.50000000000000 0.76849598436940 0.37500000000000 15.999 > 33 43 O 0.50000000000000 0.26849598436940 0.87500000000000 15.999 > 33 44 O 0.50000000000000 0.76849598436940 0.87500000000000 15.999 > 33 45 O 0.50000000000000 0.23150401563060 0.12500000000000 15.999 > 37 46 O 0.50000000000000 0.73150401563060 0.12500000000000 15.999 > 37 47 O 0.50000000000000 0.23150401563060 0.62500000000000 15.999 > 37 48 O 0.50000000000000 0.73150401563060 0.62500000000000 15.999 > 37 49 F 0.57710839019053 0.06261325643796 0.47535070173184 18.998 > 49 50 F 0.57710839019053 0.56261325643796 0.47535070173184 18.998 > 49 51 F 0.57710839019053 0.06261325643796 0.97535070173184 18.998 > 49 52 F 0.57710839019053 0.56261325643796 0.97535070173184 18.998 > 49 53 F 0.57710839019053 0.43738674356204 0.22535070173184 18.998 > 53 54 F 0.57710839019053 0.93738674356204 0.22535070173184 18.998 > 53 55 F 0.57710839019053 0.43738674356204 0.72535070173184 18.998 > 53 56 F 0.57710839019053 0.93738674356204 0.72535070173184 18.998 > 53 57 F 0.71554590994006 0.27833103883133 0.41738689188943 18.998 > 57 58 F 0.71554590994006 0.77833103883133 0.41738689188943 18.998 > 57 59 F 0.71554590994006 0.27833103883133 0.91738689188943 18.998 > 57 60 F 0.71554590994006 0.77833103883133 0.91738689188943 18.998 > 57 61 F 0.71554590994006 0.22166896116867 0.16738689188943 18.998 > 61 62 F 0.71554590994006 0.72166896116867 0.16738689188943 18.998 > 61 63 F 0.71554590994006 0.22166896116867 0.66738689188943 18.998 > 61 64 F 0.71554590994006 0.72166896116867 0.66738689188943 18.998 > 61 65 F 0.78445409005994 0.02833103883133 0.33261310811057 18.998 > 65 66 F 0.78445409005994 0.52833103883133 0.33261310811057 18.998 > 65 67 F 0.78445409005994 0.02833103883133 0.83261310811057 18.998 > 65 68 F 0.78445409005994 0.52833103883133 0.83261310811057 18.998 > 65 69 F 0.78445409005994 0.47166896116867 0.08261310811057 18.998 > 69 70 F 0.78445409005994 0.97166896116867 0.08261310811057 18.998 > 69 71 F 0.78445409005994 0.47166896116867 0.58261310811057 18.998 > 69 72 F 0.78445409005994 0.97166896116867 0.58261310811057 18.998 > 69 73 F 0.92289160980947 0.31261325643796 0.27464929826816 18.998 > 73 74 F 0.92289160980947 0.81261325643796 0.27464929826816 18.998 > 73 75 F 0.92289160980947 0.31261325643796 0.77464929826816 18.998 > 73 76 F 0.92289160980947 0.81261325643796 0.77464929826816 18.998 > 73 77 F 0.92289160980947 0.18738674356204 0.02464929826816 18.998 > 77 78 F 0.92289160980947 0.68738674356204 0.02464929826816 18.998 > 77 79 F 0.92289160980947 0.18738674356204 0.52464929826816 18.998 > 77 80 F 0.92289160980947 0.68738674356204 0.52464929826816 18.998 > 77 81 F 0.07710839019053 0.31261325643796 0.47535070173184 18.998 > 49 82 F 0.07710839019053 0.81261325643796 0.47535070173184 18.998 > 49 83 F 0.07710839019053 0.31261325643796 0.97535070173184 18.998 > 49 84 F 0.07710839019053 0.81261325643796 0.97535070173184 18.998 > 49 85 F 0.07710839019053 0.18738674356204 0.22535070173184 18.998 > 53 86 F 0.07710839019053 0.68738674356204 0.22535070173184 18.998 > 53 87 F 0.07710839019053 0.18738674356204 0.72535070173184 18.998 > 53 88 F 0.07710839019053 0.68738674356204 0.72535070173184 18.998 > 53 89 F 0.21554590994006 0.02833103883133 0.41738689188943 18.998 > 57 90 F 0.21554590994006 0.52833103883133 0.41738689188943 18.998 > 57 91 F 0.21554590994006 0.02833103883133 0.91738689188943 18.998 > 57 92 F 0.21554590994006 0.52833103883133 0.91738689188943 18.998 > 57 93 F 0.21554590994006 0.47166896116867 0.16738689188943 18.998 > 61 94 F 0.21554590994006 0.97166896116867 0.16738689188943 18.998 > 61 95 F 0.21554590994006 0.47166896116867 0.66738689188943 18.998 > 61 96 F 0.21554590994006 0.97166896116867 0.66738689188943 18.998 > 61 97 F 0.28445409005994 0.27833103883133 0.33261310811057 18.998 > 65 98 F 0.28445409005994 0.77833103883133 0.33261310811057 18.998 > 65 99 F 0.28445409005994 0.27833103883133 0.83261310811057 18.998 > 65 100 F 0.28445409005994 0.77833103883133 0.83261310811057 18.998 > 65 101 F 0.28445409005994 0.22166896116867 0.08261310811057 18.998 > 69 102 F 0.28445409005994 0.72166896116867 0.08261310811057 18.998 > 69 103 F 0.28445409005994 0.22166896116867 0.58261310811057 18.998 > 69 104 F 0.28445409005994 0.72166896116867 0.58261310811057 18.998 > 69 105 F 0.42289160980947 0.06261325643796 0.27464929826816 18.998 > 73 106 F 0.42289160980947 0.56261325643796 0.27464929826816 18.998 > 73 107 F 0.42289160980947 0.06261325643796 0.77464929826816 18.998 > 73 108 F 0.42289160980947 0.56261325643796 0.77464929826816 18.998 > 73 109 F 0.42289160980947 0.43738674356204 0.02464929826816 18.998 > 77 110 F 0.42289160980947 0.93738674356204 0.02464929826816 18.998 > 77 111 F 0.42289160980947 0.43738674356204 0.52464929826816 18.998 > 77 112 F 0.42289160980947 0.93738674356204 0.52464929826816 18.998 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.0708799 0.0000000 -0.0190126 0.0000000 4.1113437 0.0000000 -0.0190129 0.0000000 4.2584696 -------------------------- Born effective charges -------------------------- 1 Bi 4.5132668 -0.2230473 -0.1984616 -0.0197720 4.5235586 -0.2305508 -0.2401696 0.0962947 4.6246014 2 Bi 4.5132668 0.2230473 -0.1984616 0.0197720 4.5235586 0.2305508 -0.2401696 -0.0962947 4.6246014 3 Bi 4.5132668 0.2230473 -0.1984616 0.0197720 4.5235586 0.2305508 -0.2401696 -0.0962947 4.6246014 4 Bi 4.5132668 -0.2230473 -0.1984616 -0.0197720 4.5235586 -0.2305508 -0.2401696 0.0962947 4.6246014 5 O -2.1309551 0.0000000 -0.0413502 0.0000000 -2.1165736 0.0000000 -0.1191757 0.0000000 -3.2951991 6 O -2.1309551 0.0000000 -0.0413502 0.0000000 -2.1165736 0.0000000 -0.1191757 0.0000000 -3.2951991 7 F -1.2465037 0.2193577 0.2685838 0.2238884 -2.0859035 0.7557122 0.4247766 0.8264113 -1.5850927 8 F -1.2465037 -0.2193577 0.2685838 -0.2238884 -2.0859035 -0.7557122 0.4247766 -0.8264113 -1.5850927 9 F -2.2012855 -0.5029882 -0.0494471 -0.4816124 -1.3793683 -0.7953025 -0.1250191 -0.9487192 -1.3919092 10 F -2.2012855 0.5029882 -0.0494471 0.4816124 -1.3793683 0.7953025 -0.1250191 0.9487192 -1.3919092 11 F -2.2012855 0.5029882 -0.0494471 0.4816124 -1.3793683 0.7953025 -0.1250191 0.9487192 -1.3919092 12 F -2.2012855 -0.5029882 -0.0494471 -0.4816124 -1.3793683 -0.7953025 -0.1250191 -0.9487192 -1.3919092 13 F -1.2465037 -0.2193577 0.2685838 -0.2238884 -2.0859035 -0.7557122 0.4247766 -0.8264113 -1.5850927 14 F -1.2465037 0.2193577 0.2685838 0.2238884 -2.0859035 0.7557122 0.4247766 0.8264113 -1.5850927 ---------------------------------------------------------------------------- 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] [-0.0023 0.0000 0.0097] [ 0.0023 0.0000 -0.0097] Computing fc3[ 33, 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] [-0.0023 0.0000 0.0097] [ 0.0023 0.0000 -0.0097] 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] [-0.0023 0.0000 0.0097] [ 0.0023 0.0000 -0.0097] 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] [-0.0023 0.0000 0.0097] [ 0.0023 0.0000 -0.0097] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000004 (yyy) -0.00000004 (yyy) -0.00000004 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000002 (yz) 0.00000002 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:04:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:04:56]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 2] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.424528640815354 -2.824458945000000 0.000000000000000 b 6.424528640815354 2.824458945000000 0.000000000000000 c -1.291480896215932 0.000000000000000 5.562174434950937 Atomic positions (fractional): 1 Bi 0.32254436848474 0.88894449740268 0.58475810601727 208.980 2 Bi 0.88894449740267 0.32254436848474 0.08475810601727 208.980 3 Bi 0.11105550259733 0.67745563151526 0.91524189398273 208.980 4 Bi 0.67745563151526 0.11105550259732 0.41524189398273 208.980 5 O 0.96300803126120 0.03699196873880 0.75000000000000 15.999 6 O 0.03699196873880 0.96300803126120 0.25000000000000 15.999 7 F 0.45188187731462 0.70233490306644 0.95070140346368 18.998 8 F 0.70233490306644 0.45188187731462 0.45070140346368 18.998 9 F 0.15888383227741 0.27220798760271 0.83477378377887 18.998 10 F 0.27220798760271 0.15888383227741 0.33477378377887 18.998 11 F 0.72779201239729 0.84111616772259 0.66522621622113 18.998 12 F 0.84111616772259 0.72779201239729 0.16522621622114 18.998 13 F 0.29766509693356 0.54811812268538 0.54929859653632 18.998 14 F 0.54811812268538 0.29766509693356 0.04929859653632 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.849057281630708 0.000000000000000 0.000000000000000 b 0.000000000000000 11.297835780000000 0.000000000000000 c -2.582961792431864 0.000000000000000 11.124348869901874 Atomic positions (fractional): 1 Bi 0.60574443294371 0.14160003222948 0.29237905300863 208.980 > 1 2 Bi 0.60574443294371 0.64160003222948 0.29237905300863 208.980 > 1 3 Bi 0.60574443294371 0.14160003222948 0.79237905300863 208.980 > 1 4 Bi 0.60574443294371 0.64160003222948 0.79237905300863 208.980 > 1 5 Bi 0.60574443294371 0.35839996777052 0.04237905300863 208.980 > 5 6 Bi 0.60574443294371 0.85839996777052 0.04237905300863 208.980 > 5 7 Bi 0.60574443294371 0.35839996777052 0.54237905300863 208.980 > 5 8 Bi 0.60574443294371 0.85839996777052 0.54237905300863 208.980 > 5 9 Bi 0.89425556705629 0.39160003222948 0.45762094699137 208.980 > 9 10 Bi 0.89425556705629 0.89160003222948 0.45762094699137 208.980 > 9 11 Bi 0.89425556705629 0.39160003222948 0.95762094699137 208.980 > 9 12 Bi 0.89425556705629 0.89160003222948 0.95762094699137 208.980 > 9 13 Bi 0.89425556705629 0.10839996777052 0.20762094699137 208.980 > 13 14 Bi 0.89425556705629 0.60839996777052 0.20762094699137 208.980 > 13 15 Bi 0.89425556705629 0.10839996777052 0.70762094699137 208.980 > 13 16 Bi 0.89425556705629 0.60839996777052 0.70762094699137 208.980 > 13 17 Bi 0.10574443294371 0.39160003222948 0.29237905300863 208.980 > 1 18 Bi 0.10574443294371 0.89160003222948 0.29237905300863 208.980 > 1 19 Bi 0.10574443294371 0.39160003222948 0.79237905300863 208.980 > 1 20 Bi 0.10574443294371 0.89160003222948 0.79237905300863 208.980 > 1 21 Bi 0.10574443294371 0.10839996777052 0.04237905300863 208.980 > 5 22 Bi 0.10574443294371 0.60839996777052 0.04237905300863 208.980 > 5 23 Bi 0.10574443294371 0.10839996777052 0.54237905300863 208.980 > 5 24 Bi 0.10574443294371 0.60839996777052 0.54237905300863 208.980 > 5 25 Bi 0.39425556705629 0.14160003222948 0.45762094699137 208.980 > 9 26 Bi 0.39425556705629 0.64160003222948 0.45762094699137 208.980 > 9 27 Bi 0.39425556705629 0.14160003222948 0.95762094699137 208.980 > 9 28 Bi 0.39425556705629 0.64160003222948 0.95762094699137 208.980 > 9 29 Bi 0.39425556705629 0.35839996777052 0.20762094699137 208.980 > 13 30 Bi 0.39425556705629 0.85839996777052 0.20762094699137 208.980 > 13 31 Bi 0.39425556705629 0.35839996777052 0.70762094699137 208.980 > 13 32 Bi 0.39425556705629 0.85839996777052 0.70762094699137 208.980 > 13 33 O 0.00000000000000 0.01849598436940 0.37500000000000 15.999 > 33 34 O 0.00000000000000 0.51849598436940 0.37500000000000 15.999 > 33 35 O 0.00000000000000 0.01849598436940 0.87500000000000 15.999 > 33 36 O 0.00000000000000 0.51849598436940 0.87500000000000 15.999 > 33 37 O 0.00000000000000 0.48150401563060 0.12500000000000 15.999 > 37 38 O 0.00000000000000 0.98150401563060 0.12500000000000 15.999 > 37 39 O 0.00000000000000 0.48150401563060 0.62500000000000 15.999 > 37 40 O 0.00000000000000 0.98150401563060 0.62500000000000 15.999 > 37 41 O 0.50000000000000 0.26849598436940 0.37500000000000 15.999 > 33 42 O 0.50000000000000 0.76849598436940 0.37500000000000 15.999 > 33 43 O 0.50000000000000 0.26849598436940 0.87500000000000 15.999 > 33 44 O 0.50000000000000 0.76849598436940 0.87500000000000 15.999 > 33 45 O 0.50000000000000 0.23150401563060 0.12500000000000 15.999 > 37 46 O 0.50000000000000 0.73150401563060 0.12500000000000 15.999 > 37 47 O 0.50000000000000 0.23150401563060 0.62500000000000 15.999 > 37 48 O 0.50000000000000 0.73150401563060 0.62500000000000 15.999 > 37 49 F 0.57710839019053 0.06261325643796 0.47535070173184 18.998 > 49 50 F 0.57710839019053 0.56261325643796 0.47535070173184 18.998 > 49 51 F 0.57710839019053 0.06261325643796 0.97535070173184 18.998 > 49 52 F 0.57710839019053 0.56261325643796 0.97535070173184 18.998 > 49 53 F 0.57710839019053 0.43738674356204 0.22535070173184 18.998 > 53 54 F 0.57710839019053 0.93738674356204 0.22535070173184 18.998 > 53 55 F 0.57710839019053 0.43738674356204 0.72535070173184 18.998 > 53 56 F 0.57710839019053 0.93738674356204 0.72535070173184 18.998 > 53 57 F 0.71554590994006 0.27833103883133 0.41738689188943 18.998 > 57 58 F 0.71554590994006 0.77833103883133 0.41738689188943 18.998 > 57 59 F 0.71554590994006 0.27833103883133 0.91738689188943 18.998 > 57 60 F 0.71554590994006 0.77833103883133 0.91738689188943 18.998 > 57 61 F 0.71554590994006 0.22166896116867 0.16738689188943 18.998 > 61 62 F 0.71554590994006 0.72166896116867 0.16738689188943 18.998 > 61 63 F 0.71554590994006 0.22166896116867 0.66738689188943 18.998 > 61 64 F 0.71554590994006 0.72166896116867 0.66738689188943 18.998 > 61 65 F 0.78445409005994 0.02833103883133 0.33261310811057 18.998 > 65 66 F 0.78445409005994 0.52833103883133 0.33261310811057 18.998 > 65 67 F 0.78445409005994 0.02833103883133 0.83261310811057 18.998 > 65 68 F 0.78445409005994 0.52833103883133 0.83261310811057 18.998 > 65 69 F 0.78445409005994 0.47166896116867 0.08261310811057 18.998 > 69 70 F 0.78445409005994 0.97166896116867 0.08261310811057 18.998 > 69 71 F 0.78445409005994 0.47166896116867 0.58261310811057 18.998 > 69 72 F 0.78445409005994 0.97166896116867 0.58261310811057 18.998 > 69 73 F 0.92289160980947 0.31261325643796 0.27464929826816 18.998 > 73 74 F 0.92289160980947 0.81261325643796 0.27464929826816 18.998 > 73 75 F 0.92289160980947 0.31261325643796 0.77464929826816 18.998 > 73 76 F 0.92289160980947 0.81261325643796 0.77464929826816 18.998 > 73 77 F 0.92289160980947 0.18738674356204 0.02464929826816 18.998 > 77 78 F 0.92289160980947 0.68738674356204 0.02464929826816 18.998 > 77 79 F 0.92289160980947 0.18738674356204 0.52464929826816 18.998 > 77 80 F 0.92289160980947 0.68738674356204 0.52464929826816 18.998 > 77 81 F 0.07710839019053 0.31261325643796 0.47535070173184 18.998 > 49 82 F 0.07710839019053 0.81261325643796 0.47535070173184 18.998 > 49 83 F 0.07710839019053 0.31261325643796 0.97535070173184 18.998 > 49 84 F 0.07710839019053 0.81261325643796 0.97535070173184 18.998 > 49 85 F 0.07710839019053 0.18738674356204 0.22535070173184 18.998 > 53 86 F 0.07710839019053 0.68738674356204 0.22535070173184 18.998 > 53 87 F 0.07710839019053 0.18738674356204 0.72535070173184 18.998 > 53 88 F 0.07710839019053 0.68738674356204 0.72535070173184 18.998 > 53 89 F 0.21554590994006 0.02833103883133 0.41738689188943 18.998 > 57 90 F 0.21554590994006 0.52833103883133 0.41738689188943 18.998 > 57 91 F 0.21554590994006 0.02833103883133 0.91738689188943 18.998 > 57 92 F 0.21554590994006 0.52833103883133 0.91738689188943 18.998 > 57 93 F 0.21554590994006 0.47166896116867 0.16738689188943 18.998 > 61 94 F 0.21554590994006 0.97166896116867 0.16738689188943 18.998 > 61 95 F 0.21554590994006 0.47166896116867 0.66738689188943 18.998 > 61 96 F 0.21554590994006 0.97166896116867 0.66738689188943 18.998 > 61 97 F 0.28445409005994 0.27833103883133 0.33261310811057 18.998 > 65 98 F 0.28445409005994 0.77833103883133 0.33261310811057 18.998 > 65 99 F 0.28445409005994 0.27833103883133 0.83261310811057 18.998 > 65 100 F 0.28445409005994 0.77833103883133 0.83261310811057 18.998 > 65 101 F 0.28445409005994 0.22166896116867 0.08261310811057 18.998 > 69 102 F 0.28445409005994 0.72166896116867 0.08261310811057 18.998 > 69 103 F 0.28445409005994 0.22166896116867 0.58261310811057 18.998 > 69 104 F 0.28445409005994 0.72166896116867 0.58261310811057 18.998 > 69 105 F 0.42289160980947 0.06261325643796 0.27464929826816 18.998 > 73 106 F 0.42289160980947 0.56261325643796 0.27464929826816 18.998 > 73 107 F 0.42289160980947 0.06261325643796 0.77464929826816 18.998 > 73 108 F 0.42289160980947 0.56261325643796 0.77464929826816 18.998 > 73 109 F 0.42289160980947 0.43738674356204 0.02464929826816 18.998 > 77 110 F 0.42289160980947 0.93738674356204 0.02464929826816 18.998 > 77 111 F 0.42289160980947 0.43738674356204 0.52464929826816 18.998 > 77 112 F 0.42289160980947 0.93738674356204 0.52464929826816 18.998 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.0708799 0.0000000 -0.0190126 0.0000000 4.1113437 0.0000000 -0.0190129 0.0000000 4.2584696 -------------------------- Born effective charges -------------------------- 1 Bi 4.5132668 -0.2230473 -0.1984616 -0.0197720 4.5235586 -0.2305508 -0.2401696 0.0962947 4.6246014 2 Bi 4.5132668 0.2230473 -0.1984616 0.0197720 4.5235586 0.2305508 -0.2401696 -0.0962947 4.6246014 3 Bi 4.5132668 0.2230473 -0.1984616 0.0197720 4.5235586 0.2305508 -0.2401696 -0.0962947 4.6246014 4 Bi 4.5132668 -0.2230473 -0.1984616 -0.0197720 4.5235586 -0.2305508 -0.2401696 0.0962947 4.6246014 5 O -2.1309551 0.0000000 -0.0413502 0.0000000 -2.1165736 0.0000000 -0.1191757 0.0000000 -3.2951991 6 O -2.1309551 0.0000000 -0.0413502 0.0000000 -2.1165736 0.0000000 -0.1191757 0.0000000 -3.2951991 7 F -1.2465037 0.2193577 0.2685838 0.2238884 -2.0859035 0.7557122 0.4247766 0.8264113 -1.5850927 8 F -1.2465037 -0.2193577 0.2685838 -0.2238884 -2.0859035 -0.7557122 0.4247766 -0.8264113 -1.5850927 9 F -2.2012855 -0.5029882 -0.0494471 -0.4816124 -1.3793683 -0.7953025 -0.1250191 -0.9487192 -1.3919092 10 F -2.2012855 0.5029882 -0.0494471 0.4816124 -1.3793683 0.7953025 -0.1250191 0.9487192 -1.3919092 11 F -2.2012855 0.5029882 -0.0494471 0.4816124 -1.3793683 0.7953025 -0.1250191 0.9487192 -1.3919092 12 F -2.2012855 -0.5029882 -0.0494471 -0.4816124 -1.3793683 -0.7953025 -0.1250191 -0.9487192 -1.3919092 13 F -1.2465037 -0.2193577 0.2685838 -0.2238884 -2.0859035 -0.7557122 0.4247766 -0.8264113 -1.5850927 14 F -1.2465037 0.2193577 0.2685838 0.2238884 -2.0859035 0.7557122 0.4247766 0.8264113 -1.5850927 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000004 (yyy) -0.00000004 (yyy) -0.00000004 (yyy) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 10 9 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.71, Number of G-points: 283, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/251) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 251 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 1.951 ( 0.000 0.000 0.000) 0.000 2.226 ( 0.000 0.000 0.000) 0.000 2.607 ( 0.000 0.000 0.000) 0.000 2.635 ( 0.000 0.000 0.000) 0.000 2.746 ( 0.000 0.000 0.000) 0.000 2.902 ( 0.000 0.000 0.000) 0.000 3.237 ( 0.000 0.000 0.000) 0.000 3.446 ( 0.000 0.000 0.000) 0.000 4.147 ( 0.000 0.000 0.000) 0.000 4.230 ( 0.000 0.000 0.000) 0.000 4.288 ( 0.000 0.000 0.000) 0.000 4.363 ( 0.000 0.000 0.000) 0.000 4.605 ( 0.000 0.000 0.000) 0.000 4.763 ( 0.000 0.000 0.000) 0.000 4.995 ( 0.000 0.000 0.000) 0.000 5.253 ( 0.000 0.000 0.000) 0.000 5.527 ( 0.000 0.000 0.000) 0.000 5.629 ( 0.000 0.000 0.000) 0.000 5.630 ( 0.000 0.000 0.000) 0.000 6.000 ( 0.000 0.000 0.000) 0.000 6.381 ( 0.000 0.000 0.000) 0.000 6.551 ( 0.000 0.000 0.000) 0.000 6.724 ( 0.000 0.000 0.000) 0.000 7.106 ( 0.000 0.000 0.000) 0.000 7.111 ( 0.000 0.000 0.000) 0.000 7.281 ( 0.000 0.000 0.000) 0.000 7.805 ( 0.000 0.000 0.000) 0.000 8.037 ( 0.000 0.000 0.000) 0.000 8.520 ( 0.000 0.000 0.000) 0.000 8.828 ( 0.000 0.000 0.000) 0.000 9.202 ( 0.000 0.000 0.000) 0.000 9.593 ( 0.000 0.000 0.000) 0.000 10.281 ( 0.000 0.000 0.000) 0.000 10.657 ( 0.000 0.000 0.000) 0.000 11.732 ( 0.000 0.000 0.000) 0.000 12.312 ( 0.000 0.000 0.000) 0.000 13.783 ( 0.000 0.000 0.000) 0.000 14.600 ( 0.000 0.000 0.000) 0.000 14.796 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/251) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.385 ( 4.674 -19.493 -0.906) 20.066 0.459 ( 10.525 -20.298 0.235) 22.866 0.756 ( 14.326 -34.248 8.978) 38.194 1.952 ( -0.781 -0.214 2.341) 2.477 2.200 ( -0.178 2.633 -0.458) 2.679 2.517 ( 1.957 10.155 6.448) 12.188 2.638 ( 0.582 0.146 0.310) 0.675 2.801 ( 1.040 -2.222 0.276) 2.469 2.917 ( -1.146 -1.976 3.856) 4.482 3.230 ( 0.532 1.017 -0.776) 1.386 3.444 ( -1.112 0.633 -1.221) 1.768 4.013 ( -0.574 6.612 -1.071) 6.722 4.237 ( -5.107 2.526 0.213) 5.702 4.426 ( -2.227 -11.589 2.047) 11.978 4.534 ( 1.381 3.829 -0.947) 4.179 4.735 ( -3.719 -9.799 -7.803) 13.067 4.794 ( -0.962 1.726 -3.295) 3.842 5.083 ( 11.828 4.836 1.742) 12.897 5.395 ( -10.779 6.963 5.999) 14.166 5.599 ( 3.575 2.937 -7.531) 8.839 5.670 ( 0.299 -5.350 -13.446) 14.474 5.880 ( 5.381 10.860 2.593) 12.394 6.386 ( 1.443 -1.868 -3.476) 4.202 6.615 ( 1.074 -13.091 2.358) 13.345 6.753 ( -2.384 -5.194 1.637) 5.945 6.996 ( -1.281 1.076 -3.553) 3.927 7.211 ( -0.374 -6.423 -0.494) 6.453 7.302 ( -8.733 -5.858 2.344) 10.773 7.689 ( 1.969 9.754 3.858) 10.673 7.977 ( 10.593 0.546 6.014) 12.193 8.422 ( -8.778 0.435 7.324) 11.441 8.716 ( 14.298 14.994 -1.753) 20.792 8.802 ( 0.109 4.076 -0.495) 4.108 9.649 ( 0.524 -5.486 -0.415) 5.526 10.172 ( -0.514 11.749 -0.111) 11.761 10.614 ( 0.421 3.844 -3.586) 5.273 11.687 ( 0.883 5.586 1.793) 5.932 12.258 ( -4.529 1.204 -11.088) 12.038 12.456 ( -14.162 -10.303 5.629) 18.396 14.201 ( -29.193 -16.491 -17.832) 37.976 14.807 ( 1.199 -0.460 3.846) 4.055 14.904 ( 24.566 11.046 25.436) 37.047 ======================= Grid point 2 (3/251) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.752 ( 4.514 -17.650 0.010) 18.218 0.869 ( 9.206 -17.085 -0.047) 19.407 1.435 ( 10.618 -28.290 6.450) 30.897 1.949 ( -3.003 -0.412 3.175) 4.390 2.157 ( 2.486 1.273 -1.042) 2.981 2.382 ( 0.544 7.319 7.640) 10.594 2.656 ( -1.073 -2.307 -0.539) 2.600 2.826 ( -1.077 -1.360 -3.297) 3.726 2.963 ( -2.142 -2.916 8.267) 9.024 3.206 ( 0.300 1.848 0.494) 1.937 3.395 ( -0.228 3.835 -1.918) 4.294 3.933 ( -2.098 1.240 0.401) 2.470 4.132 ( -3.923 5.241 1.701) 6.764 4.478 ( -1.213 0.968 -1.083) 1.892 4.551 ( -5.907 -3.179 3.518) 7.575 4.709 ( 2.958 7.910 -3.597) 9.179 4.883 ( 1.346 -6.591 -3.264) 7.478 5.002 ( 0.757 9.918 0.053) 9.947 5.206 ( -3.029 7.185 0.132) 7.799 5.509 ( 3.343 7.128 -7.917) 11.165 5.685 ( 2.757 4.988 -7.303) 9.264 5.947 ( 0.073 -18.013 -1.512) 18.077 6.437 ( -2.358 -4.359 0.828) 5.025 6.735 ( -7.308 -5.122 -7.806) 11.857 6.939 ( 0.731 -10.707 10.721) 15.169 7.050 ( 9.083 -6.357 -6.314) 12.759 7.263 ( 0.073 0.469 -6.870) 6.886 7.341 ( -10.561 -5.354 -0.030) 11.840 7.597 ( 7.496 3.866 10.702) 13.626 8.043 ( 10.425 2.697 5.615) 12.144 8.341 ( 2.081 6.415 1.808) 6.982 8.519 ( 1.363 13.356 2.290) 13.619 8.704 ( 1.069 6.228 -3.547) 7.246 9.728 ( -6.720 1.606 8.820) 11.204 9.912 ( 5.061 11.739 -7.203) 14.674 10.540 ( 0.076 3.727 0.241) 3.736 11.559 ( 0.714 9.672 1.053) 9.755 12.184 ( -3.388 1.452 -8.698) 9.447 12.542 ( -7.098 -7.372 5.453) 11.596 14.240 ( -12.522 -8.848 -9.829) 18.212 14.842 ( 1.248 -1.287 4.225) 4.589 14.941 ( 8.523 3.116 8.721) 12.586 ======================= Grid point 3 (4/251) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( 4.020 -14.231 0.641) 14.802 1.204 ( 7.134 -13.670 -0.889) 15.445 1.792 ( -0.627 -3.145 3.744) 4.930 1.983 ( 1.683 -4.505 2.333) 5.345 2.243 ( -0.149 -1.686 2.217) 2.789 2.340 ( 6.016 -8.250 2.407) 10.491 2.682 ( -3.354 -1.857 -0.013) 3.833 2.833 ( -2.760 -2.523 -6.606) 7.591 2.993 ( -5.133 -1.836 4.178) 6.868 3.191 ( 0.899 0.725 8.257) 8.337 3.322 ( 4.169 4.651 -2.678) 6.796 3.926 ( -1.755 -0.737 1.321) 2.317 3.998 ( -3.098 7.163 4.423) 8.970 4.413 ( -2.635 6.785 -1.603) 7.453 4.494 ( -4.642 3.750 2.032) 6.304 4.583 ( 5.340 7.181 -3.480) 9.602 4.780 ( -0.030 9.296 -10.926) 14.345 4.957 ( -6.458 -0.589 8.872) 10.989 5.091 ( 2.283 5.393 -5.235) 7.855 5.433 ( -0.493 1.480 -3.180) 3.542 5.627 ( 8.760 4.970 1.497) 10.182 6.337 ( -3.996 -25.657 -10.964) 28.186 6.510 ( -3.463 -6.035 2.663) 7.450 6.726 ( -7.847 -3.457 -6.768) 10.924 7.102 ( -1.195 -5.561 5.629) 8.002 7.172 ( 0.605 3.978 1.316) 4.234 7.284 ( -0.547 -9.267 -7.961) 12.230 7.386 ( 5.493 -7.228 -2.392) 9.388 7.669 ( 6.877 -0.791 7.539) 10.235 8.041 ( 8.205 8.090 3.626) 12.080 8.244 ( 3.978 7.726 4.297) 9.694 8.310 ( 3.383 10.869 0.702) 11.405 8.621 ( -0.926 1.662 -2.883) 3.454 9.389 ( -4.024 23.904 9.012) 25.861 9.966 ( 2.063 -7.055 -4.047) 8.391 10.495 ( 0.401 1.682 0.815) 1.912 11.370 ( -0.306 11.405 -0.576) 11.424 12.127 ( -2.635 0.789 -5.888) 6.499 12.619 ( -4.543 -5.258 4.123) 8.080 14.277 ( -6.271 -5.171 -6.079) 10.150 14.878 ( 1.620 -0.499 4.048) 4.388 14.952 ( 1.817 1.371 2.256) 3.204 ======================= Grid point 4 (5/251) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( 3.191 -9.093 0.639) 9.658 1.460 ( 4.525 -10.235 -2.077) 11.382 1.751 ( -4.480 3.455 2.742) 6.287 2.051 ( 4.370 -0.203 1.565) 4.646 2.180 ( -1.931 3.742 3.411) 5.419 2.645 ( 1.299 -7.213 -2.694) 7.809 2.676 ( -1.725 -7.240 -0.031) 7.443 2.859 ( -0.863 -3.348 -5.442) 6.448 2.970 ( -5.628 -0.795 -4.018) 6.961 3.197 ( -2.224 1.649 11.969) 12.285 3.333 ( 10.202 -1.203 -0.707) 10.297 3.782 ( -5.961 10.542 2.758) 12.421 3.969 ( 0.387 -0.617 4.503) 4.561 4.236 ( 1.038 8.454 -2.755) 8.952 4.425 ( -6.707 -0.595 1.343) 6.866 4.506 ( 7.113 7.172 -5.218) 11.369 4.643 ( -1.779 3.285 -4.255) 5.663 4.908 ( -2.601 1.803 3.016) 4.372 5.035 ( 0.717 1.751 -2.033) 2.777 5.408 ( -1.953 0.101 -0.841) 2.128 5.640 ( 6.725 1.996 3.551) 7.862 6.554 ( -2.609 -3.294 -11.120) 11.888 6.625 ( -6.393 -7.881 8.983) 13.552 6.825 ( -0.399 -14.297 -13.295) 19.528 7.058 ( -6.467 1.687 1.095) 6.772 7.185 ( 0.750 -0.245 3.358) 3.449 7.424 ( -3.070 -10.149 -1.424) 10.699 7.611 ( 10.526 -5.693 0.850) 11.998 7.749 ( 7.910 -3.994 0.383) 8.870 7.898 ( 3.640 11.667 2.709) 12.518 8.070 ( 1.090 12.030 -2.551) 12.345 8.267 ( 1.615 1.375 2.223) 3.073 8.626 ( -0.876 -2.859 1.625) 3.403 8.979 ( -0.875 19.976 7.134) 21.229 10.094 ( 1.027 -5.827 -1.605) 6.131 10.483 ( 0.412 0.394 0.536) 0.783 11.175 ( -0.964 8.859 -1.098) 8.979 12.093 ( -1.587 0.298 -3.072) 3.471 12.669 ( -2.334 -2.728 2.301) 4.265 14.301 ( -2.696 -2.386 -2.950) 4.655 14.899 ( 2.313 0.552 3.919) 4.584 14.936 ( -1.614 0.366 -1.447) 2.199 ======================= Grid point 5 (6/251) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.413 ( 0.000 -0.000 0.000) 0.000 1.619 ( 0.000 -0.000 -0.000) 0.000 1.645 ( -0.000 0.000 0.000) 0.000 2.071 ( 0.000 -0.000 0.000) 0.000 2.135 ( 0.000 -0.000 0.000) 0.000 2.640 ( 0.000 -0.000 -0.000) 0.000 2.810 ( 0.000 -0.000 0.000) 0.000 2.898 ( 0.000 -0.000 -0.000) 0.000 2.938 ( -0.000 -0.000 0.000) 0.000 3.165 ( 0.000 -0.000 -0.000) 0.000 3.458 ( 0.000 -0.000 0.000) 0.000 3.598 ( 0.000 -0.000 0.000) 0.000 3.981 ( 0.000 -0.000 -0.000) 0.000 4.162 ( 0.000 -0.000 -0.000) 0.000 4.418 ( -0.000 -0.000 0.000) 0.000 4.442 ( 0.000 0.000 -0.000) 0.000 4.610 ( -0.000 -0.000 0.000) 0.000 4.885 ( 0.000 -0.000 -0.000) 0.000 5.022 ( -0.000 -0.000 0.000) 0.000 5.399 ( 0.000 -0.000 0.000) 0.000 5.652 ( 0.000 -0.000 0.000) 0.000 6.550 ( 0.000 -0.000 0.000) 0.000 6.679 ( -0.000 -0.000 -0.000) 0.000 6.976 ( -0.000 -0.000 0.000) 0.000 7.001 ( 0.000 -0.000 -0.000) 0.000 7.194 ( 0.000 -0.000 -0.000) 0.000 7.520 ( -0.000 -0.000 0.000) 0.000 7.743 ( -0.000 0.000 -0.000) 0.000 7.757 ( 0.000 -0.000 0.000) 0.000 7.898 ( 0.000 -0.000 0.000) 0.000 7.907 ( -0.000 0.000 -0.000) 0.000 8.231 ( 0.000 -0.000 -0.000) 0.000 8.692 ( 0.000 0.000 -0.000) 0.000 8.762 ( 0.000 -0.000 0.000) 0.000 10.154 ( 0.000 -0.000 -0.000) 0.000 10.483 ( 0.000 -0.000 -0.000) 0.000 11.082 ( 0.000 -0.000 0.000) 0.000 12.081 ( 0.000 -0.000 0.000) 0.000 12.686 ( 0.000 -0.000 0.000) 0.000 14.309 ( 0.000 -0.000 0.000) 0.000 14.911 ( -0.000 -0.000 -0.000) 0.000 14.918 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 12 (7/251) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.199 ( 8.941 0.000 16.593) 18.848 0.364 ( 20.274 0.000 11.064) 23.096 0.672 ( 39.917 0.000 9.702) 41.079 1.935 ( -2.427 -0.000 1.479) 2.842 2.218 ( -0.918 -0.000 -0.389) 0.997 2.585 ( -4.746 -0.000 -2.115) 5.196 2.748 ( -1.880 -0.000 4.495) 4.872 2.797 ( -0.408 -0.000 6.415) 6.428 2.908 ( -1.570 -0.000 13.893) 13.981 3.241 ( 0.714 0.000 -0.541) 0.896 3.427 ( -5.173 -0.000 -5.284) 7.395 4.153 ( 0.608 0.000 1.234) 1.376 4.252 ( -4.826 -0.000 1.429) 5.033 4.360 ( 6.832 0.000 -27.142) 27.989 4.382 ( 1.848 0.000 3.075) 3.588 4.648 ( 5.121 0.000 -0.564) 5.152 4.761 ( 0.282 0.000 -2.301) 2.318 5.258 ( -0.455 -0.000 -1.377) 1.450 5.412 ( -9.225 -0.000 10.792) 14.197 5.490 ( -4.328 -0.000 -15.827) 16.408 5.743 ( 11.149 0.000 -14.755) 18.494 6.007 ( 0.278 0.000 -0.559) 0.624 6.410 ( 6.682 0.000 -15.375) 16.764 6.550 ( -0.119 -0.000 -2.763) 2.766 6.693 ( -3.332 -0.000 0.671) 3.399 6.745 ( -8.776 -0.000 17.630) 19.694 7.177 ( 7.786 0.000 -0.472) 7.801 7.273 ( -0.339 -0.000 1.419) 1.459 7.835 ( 2.259 0.000 6.834) 7.198 8.013 ( -3.182 -0.000 1.376) 3.467 8.340 ( 0.077 0.000 23.489) 23.490 8.828 ( 0.114 0.000 -0.829) 0.837 9.207 ( 0.600 0.000 0.100) 0.609 9.591 ( -0.200 -0.000 -0.363) 0.414 10.272 ( -1.219 -0.000 0.651) 1.382 10.627 ( 6.197 0.000 -29.889) 30.524 11.694 ( -4.014 -0.000 -0.997) 4.136 11.909 ( -1.821 -0.000 15.862) 15.966 12.287 ( -2.737 -0.000 -1.431) 3.088 13.818 ( 4.036 0.000 1.358) 4.259 14.782 ( -1.649 -0.000 -0.548) 1.738 15.324 ( -7.820 -0.000 34.162) 35.045 ======================= Grid point 13 (8/251) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.447 ( 6.220 -16.498 3.648) 18.005 0.724 ( 15.938 -14.347 7.015) 22.563 1.155 ( 28.645 -17.739 10.015) 35.150 1.925 ( -4.078 -0.504 3.237) 5.231 2.196 ( -0.061 1.256 -1.016) 1.616 2.509 ( -4.238 4.272 3.102) 6.770 2.668 ( -0.393 4.717 5.288) 7.097 2.798 ( -1.579 -0.187 -1.074) 1.918 2.930 ( -1.427 -0.883 14.631) 14.727 3.243 ( 1.664 0.996 -0.668) 2.051 3.392 ( -4.096 -1.322 -2.970) 5.230 3.998 ( -0.099 8.851 -3.115) 9.384 4.171 ( -3.563 2.889 2.948) 5.452 4.400 ( -1.249 -4.820 3.241) 5.941 4.566 ( 3.080 0.730 -1.494) 3.500 4.683 ( 0.267 -9.927 -7.212) 12.273 4.798 ( 2.113 -0.117 -4.213) 4.714 5.226 ( 5.187 5.616 0.097) 7.645 5.237 ( -10.609 6.873 7.672) 14.787 5.519 ( -5.479 -8.431 -7.916) 12.797 5.694 ( 6.567 9.685 -18.076) 21.533 5.970 ( 4.026 4.812 0.111) 6.276 6.392 ( 1.121 1.112 -7.984) 8.139 6.576 ( -5.661 -4.242 -5.687) 9.077 6.729 ( -3.570 -11.170 10.374) 15.657 6.946 ( 0.226 -13.544 -7.234) 15.357 7.207 ( -3.473 0.111 5.223) 6.273 7.294 ( 8.543 0.519 -4.114) 9.497 7.764 ( 4.073 6.529 10.364) 12.908 8.100 ( 1.827 -5.371 1.451) 5.856 8.386 ( 0.649 0.521 11.696) 11.726 8.800 ( 0.319 3.702 -2.057) 4.247 8.897 ( 8.031 22.944 0.197) 24.309 9.651 ( -0.256 -4.202 -0.318) 4.222 10.160 ( -0.943 10.711 -0.138) 10.753 10.605 ( 0.819 2.791 -6.511) 7.131 11.703 ( -0.664 3.653 2.226) 4.330 12.070 ( -9.332 -10.895 -10.641) 17.861 12.305 ( -8.429 -7.329 7.130) 13.252 13.967 ( -1.571 -10.273 -2.927) 10.797 14.788 ( -2.152 -2.472 -0.711) 3.353 15.184 ( 4.175 11.357 17.262) 21.081 ======================= Grid point 14 (9/251) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.802 ( 4.184 -17.611 0.502) 18.108 1.079 ( 13.400 -11.442 4.018) 18.072 1.661 ( 12.903 -15.169 6.744) 21.025 1.906 ( -3.213 -1.824 3.723) 5.245 2.199 ( 3.361 -1.566 -1.346) 3.945 2.414 ( -0.279 4.935 8.993) 10.262 2.627 ( -2.577 -0.720 -0.554) 2.733 2.776 ( -3.039 -0.002 -3.979) 5.007 2.944 ( -4.723 -0.463 9.767) 10.859 3.236 ( 2.372 1.457 3.936) 4.821 3.380 ( -0.242 0.287 -3.330) 3.351 3.901 ( -1.926 1.082 0.069) 2.210 4.088 ( -2.925 4.641 3.869) 6.713 4.434 ( -3.236 -0.630 2.230) 3.980 4.524 ( 0.435 4.375 0.469) 4.422 4.743 ( 3.271 4.935 -6.214) 8.582 4.866 ( -2.024 -6.716 3.496) 7.838 4.990 ( -3.045 13.642 -0.845) 14.003 5.178 ( 0.979 3.769 -2.617) 4.692 5.508 ( 1.148 8.878 -12.648) 15.495 5.675 ( 0.430 -10.011 -9.217) 13.614 5.978 ( 3.178 -5.232 -0.637) 6.155 6.394 ( -4.241 -3.898 2.056) 6.116 6.575 ( -8.099 -3.702 -9.269) 12.853 6.956 ( -1.601 -13.432 4.971) 14.412 7.138 ( 0.287 -0.282 -0.055) 0.406 7.236 ( 1.672 -12.109 -2.971) 12.580 7.297 ( 5.191 3.945 -5.882) 8.781 7.761 ( 7.922 2.095 11.492) 14.115 8.182 ( 4.531 -0.034 1.567) 4.794 8.390 ( 3.082 1.900 7.887) 8.678 8.565 ( 2.819 17.963 2.448) 18.347 8.712 ( 2.315 7.939 -6.529) 10.536 9.672 ( -4.492 5.365 10.066) 12.259 9.946 ( 2.588 7.955 -7.033) 10.929 10.544 ( 0.457 3.210 -0.023) 3.242 11.573 ( 0.228 10.532 1.549) 10.647 12.092 ( -3.120 -1.575 -11.130) 11.666 12.417 ( -11.171 -11.121 6.652) 17.109 14.110 ( -1.445 -7.944 -3.883) 8.960 14.824 ( -2.520 -3.422 -1.299) 4.444 15.080 ( 3.904 7.311 9.339) 12.486 ======================= Grid point 15 (10/251) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( 3.308 -14.438 0.081) 14.813 1.349 ( 9.470 -8.404 1.449) 12.744 1.764 ( -3.784 1.308 1.615) 4.317 2.034 ( 1.506 -5.354 5.448) 7.786 2.249 ( 0.370 2.153 2.323) 3.189 2.460 ( 7.627 -8.966 2.717) 12.081 2.619 ( -4.182 -0.564 -0.462) 4.245 2.766 ( -2.266 -3.778 -8.288) 9.386 2.915 ( -4.887 0.140 2.837) 5.652 3.240 ( 0.144 1.464 9.645) 9.756 3.386 ( 4.969 -0.507 -2.069) 5.406 3.882 ( -4.362 1.869 0.962) 4.842 3.987 ( -0.759 3.999 5.729) 7.028 4.373 ( -2.493 5.421 0.939) 6.040 4.413 ( -4.887 5.949 -0.443) 7.711 4.665 ( 6.320 5.947 -3.392) 9.318 4.742 ( -0.873 10.350 -9.341) 13.969 4.906 ( -4.047 0.028 8.982) 9.852 5.110 ( 3.980 4.218 -6.540) 8.741 5.398 ( -1.808 1.901 -3.628) 4.477 5.751 ( 4.996 2.379 2.571) 6.102 6.235 ( -4.083 -21.349 -10.697) 24.226 6.473 ( -5.589 -8.280 4.486) 10.951 6.580 ( -3.144 -5.511 -10.128) 11.951 7.058 ( -4.225 3.330 0.828) 5.443 7.195 ( -2.555 -12.466 -2.436) 12.956 7.249 ( 3.487 2.699 3.743) 5.784 7.529 ( 10.903 -12.844 -5.412) 17.696 7.799 ( 5.591 2.161 7.317) 9.459 8.138 ( 3.201 9.412 0.280) 9.946 8.292 ( 1.082 13.448 0.395) 13.497 8.403 ( 6.398 5.959 5.841) 10.514 8.592 ( -0.948 2.170 -3.584) 4.295 9.375 ( -2.290 22.149 11.717) 25.161 9.978 ( 1.377 -6.521 -4.951) 8.302 10.506 ( 0.546 1.739 0.926) 2.045 11.364 ( -0.301 12.402 -0.401) 12.412 12.075 ( -0.756 -0.466 -6.643) 6.702 12.529 ( -8.610 -8.983 4.052) 13.086 14.215 ( 0.150 -5.205 -2.522) 5.786 14.855 ( -3.243 -2.796 -2.482) 4.950 15.009 ( 2.310 4.912 5.666) 7.847 ======================= Grid point 16 (11/251) ======================= q-point: ( 0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( 1.364 -8.009 0.013) 8.124 1.535 ( 5.028 -6.589 -0.991) 8.348 1.701 ( -2.494 2.993 2.103) 4.427 2.060 ( -4.764 0.613 1.912) 5.170 2.199 ( 3.590 4.032 1.247) 5.540 2.602 ( -2.783 -2.339 -0.255) 3.644 2.710 ( 2.859 -10.684 1.197) 11.125 2.825 ( -5.345 -5.411 -4.546) 8.861 2.906 ( 3.765 -0.860 -5.078) 6.380 3.201 ( -1.613 3.207 7.723) 8.516 3.485 ( 8.483 -4.340 1.001) 9.581 3.709 ( -4.638 12.073 4.730) 13.771 3.976 ( -1.236 -0.198 2.027) 2.382 4.234 ( -0.381 7.946 -5.615) 9.737 4.294 ( -8.948 -0.534 4.793) 10.165 4.584 ( 3.297 5.824 -9.907) 11.956 4.635 ( 3.279 2.607 0.095) 4.190 4.874 ( -3.846 0.895 7.236) 8.244 5.081 ( 6.551 2.949 -3.959) 8.203 5.375 ( -1.553 -0.954 -1.269) 2.221 5.709 ( 0.223 4.742 2.214) 5.238 6.459 ( -6.370 -8.982 4.452) 11.878 6.614 ( 1.401 -8.063 -3.695) 8.979 6.746 ( -2.612 -16.248 -10.519) 19.531 6.979 ( -3.469 0.412 -2.018) 4.034 7.223 ( 3.063 1.413 -0.627) 3.431 7.411 ( 1.036 -9.618 2.251) 9.933 7.750 ( 5.664 -1.049 3.823) 6.914 7.867 ( 6.819 -5.866 1.158) 9.069 7.944 ( 1.840 11.731 -4.447) 12.680 8.042 ( -2.601 13.469 -3.822) 14.240 8.297 ( 1.239 8.985 3.111) 9.589 8.620 ( -1.081 -3.752 3.121) 4.999 9.003 ( 0.313 19.600 7.984) 21.166 10.097 ( 0.116 -5.787 -2.343) 6.245 10.489 ( 0.073 0.751 0.495) 0.903 11.164 ( -0.072 8.686 -0.426) 8.697 12.077 ( 1.106 -0.639 -3.059) 3.315 12.612 ( -5.627 -6.047 1.758) 8.445 14.290 ( 1.800 -2.784 -0.272) 3.327 14.859 ( -3.943 -1.556 -3.674) 5.610 14.969 ( 2.059 2.391 3.888) 5.007 ======================= Grid point 17 (12/251) ======================= q-point: (-0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.389 ( -2.638 2.482 -0.146) 3.625 1.601 ( -1.281 6.400 2.057) 6.843 1.693 ( 4.672 -6.115 -2.070) 7.969 2.006 ( -6.106 0.200 0.095) 6.110 2.174 ( 3.529 1.489 -1.838) 4.248 2.650 ( 0.592 -3.090 1.293) 3.402 2.792 ( -1.955 1.100 0.646) 2.334 2.916 ( -0.826 -3.333 -4.465) 5.633 2.942 ( 2.808 -3.589 5.471) 7.121 3.184 ( 3.072 -0.447 -4.084) 5.129 3.421 ( -4.472 15.864 5.869) 17.496 3.664 ( 6.661 -7.839 -1.284) 10.367 3.960 ( -1.693 0.265 -2.425) 2.970 4.137 ( -2.387 -0.595 -2.224) 3.316 4.299 ( -9.249 -6.217 5.262) 12.324 4.537 ( 6.064 2.870 -4.136) 7.881 4.629 ( 2.454 -0.143 -1.226) 2.747 4.858 ( -4.728 -1.752 6.670) 8.361 5.084 ( 8.362 2.705 -2.799) 9.224 5.396 ( -0.072 -2.096 -1.049) 2.345 5.609 ( -5.426 4.107 -0.847) 6.858 6.561 ( -0.334 -4.538 9.947) 10.938 6.723 ( 5.935 -1.524 -5.398) 8.167 6.881 ( -6.495 -3.701 5.200) 9.106 7.051 ( 0.213 -8.003 -11.189) 13.758 7.236 ( 7.810 1.709 -1.434) 8.122 7.545 ( 1.207 -2.754 6.171) 6.865 7.685 ( -2.551 12.315 -5.038) 13.548 7.768 ( -3.670 5.625 0.930) 6.781 7.848 ( -1.201 4.416 -1.003) 4.685 7.911 ( -2.459 1.718 1.694) 3.445 8.270 ( 4.219 -2.904 0.701) 5.170 8.676 ( -1.808 -1.264 -0.173) 2.213 8.761 ( -0.312 3.798 0.741) 3.882 10.145 ( -0.840 0.147 -0.631) 1.061 10.479 ( -0.409 0.296 -0.066) 0.509 11.094 ( 1.074 -0.849 0.697) 1.536 12.102 ( 2.379 -0.791 0.025) 2.507 12.661 ( -2.811 -2.979 -0.455) 4.121 14.344 ( 3.499 -0.844 2.117) 4.176 14.843 ( -3.773 -1.052 -4.440) 5.921 14.965 ( 1.731 0.704 2.653) 3.245 ======================= Grid point 18 (13/251) ======================= q-point: (-0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( -4.314 10.079 -0.519) 10.976 1.424 ( -1.157 12.383 1.450) 12.522 1.811 ( 4.356 -1.802 -2.604) 5.385 1.967 ( -5.184 -1.539 -0.168) 5.410 2.201 ( 1.772 -2.309 -2.872) 4.089 2.603 ( -3.195 13.999 3.026) 14.674 2.741 ( 4.285 2.615 1.026) 5.123 2.907 ( 2.038 1.752 2.669) 3.787 3.055 ( 3.564 -1.391 1.619) 4.155 3.168 ( -2.157 3.124 -11.309) 11.929 3.213 ( -3.740 -1.298 4.028) 5.648 3.859 ( 4.227 -8.798 -1.013) 9.813 3.945 ( -0.503 -0.189 -3.835) 3.872 4.231 ( 0.208 -10.914 1.764) 11.058 4.379 ( -7.770 -9.583 2.585) 12.605 4.527 ( 3.606 2.337 0.640) 4.345 4.704 ( 4.619 -5.047 -0.311) 6.849 4.899 ( -4.915 -5.962 6.439) 10.058 5.100 ( 9.631 3.124 -4.369) 11.027 5.438 ( 1.556 -1.268 0.341) 2.036 5.489 ( -11.008 0.481 -1.882) 11.178 6.620 ( 3.556 1.952 3.134) 5.127 6.743 ( 8.001 6.375 2.314) 10.489 6.847 ( -2.371 7.098 9.434) 12.041 7.089 ( -0.875 -1.634 -8.127) 8.336 7.247 ( 9.588 5.875 -2.143) 11.447 7.444 ( -9.246 8.125 0.301) 12.312 7.484 ( 0.375 10.164 2.419) 10.455 7.641 ( -3.889 1.428 3.165) 5.213 7.823 ( -4.241 -7.276 -5.982) 10.330 8.033 ( -3.524 -12.460 0.756) 12.971 8.232 ( -1.752 6.232 -0.876) 6.533 8.633 ( 0.374 1.167 -0.426) 1.297 8.975 ( 1.018 -21.667 -4.184) 22.091 10.082 ( -0.841 5.677 0.785) 5.792 10.474 ( -0.437 -0.319 -0.300) 0.619 11.196 ( 1.046 -8.485 0.947) 8.601 12.139 ( 2.515 -0.932 2.178) 3.455 12.672 ( -0.499 0.030 -1.971) 2.033 14.385 ( 5.462 0.641 4.400) 7.044 14.822 ( -4.029 -0.823 -5.631) 6.973 14.968 ( 0.941 0.946 1.764) 2.211 ======================= Grid point 19 (14/251) ======================= q-point: (-0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( -4.255 14.714 -0.660) 15.331 1.161 ( -0.565 16.702 1.109) 16.748 1.771 ( -0.852 10.390 -2.113) 10.637 1.974 ( 0.333 -0.333 -0.256) 0.536 2.232 ( -0.717 13.907 -0.468) 13.933 2.271 ( -1.638 -1.306 -1.605) 2.639 2.717 ( 1.167 3.001 -0.080) 3.221 2.878 ( 0.596 3.151 2.591) 4.123 3.027 ( 1.464 3.669 -3.391) 5.206 3.175 ( 0.715 -1.729 -1.730) 2.548 3.283 ( -1.621 -7.629 1.081) 7.874 3.938 ( 0.499 -0.044 -0.942) 1.067 4.029 ( 1.544 -7.919 -1.189) 8.156 4.459 ( 2.059 -6.912 0.712) 7.247 4.525 ( 0.009 -10.103 -1.245) 10.179 4.536 ( -1.278 -5.571 1.662) 5.953 4.834 ( 2.281 -4.344 5.566) 7.420 5.009 ( 0.177 -5.644 0.375) 5.659 5.077 ( 1.668 2.110 -3.674) 4.553 5.404 ( -4.748 -2.619 2.222) 5.860 5.536 ( -1.445 -6.849 -0.381) 7.010 6.424 ( 2.522 28.412 5.023) 28.962 6.562 ( 2.984 6.688 -1.153) 7.414 6.821 ( 1.450 -0.796 3.261) 3.657 7.078 ( 2.978 7.720 -7.911) 11.448 7.161 ( -7.622 8.445 3.919) 12.032 7.269 ( 3.759 -0.525 7.982) 8.838 7.399 ( -1.964 0.722 -4.154) 4.651 7.597 ( 2.406 5.179 -1.624) 5.937 7.885 ( -8.218 -5.402 -3.050) 10.296 8.180 ( -1.938 -4.968 -1.957) 5.681 8.274 ( -1.211 -15.028 0.028) 15.077 8.638 ( 0.268 -1.477 1.032) 1.822 9.418 ( 2.090 -26.039 -3.508) 26.357 9.950 ( -1.079 8.346 1.712) 8.587 10.489 ( -0.145 -1.817 -0.313) 1.850 11.376 ( 0.165 -10.381 0.271) 10.386 12.182 ( 1.668 -1.630 2.644) 3.525 12.645 ( 0.869 2.633 -2.063) 3.456 14.427 ( 7.560 1.349 6.233) 9.890 14.779 ( -5.574 0.565 -7.011) 8.974 14.944 ( -0.084 2.511 0.812) 2.640 ======================= Grid point 20 (15/251) ======================= q-point: (-0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.674 ( -0.000 17.668 0.000) 17.668 0.829 ( -0.000 20.603 0.000) 20.603 1.333 ( -0.000 33.467 0.000) 33.467 1.967 ( -0.000 1.229 0.000) 1.229 2.137 ( 0.000 -2.853 -0.000) 2.853 2.358 ( 0.000 -6.693 -0.000) 6.693 2.666 ( -0.000 2.763 0.000) 2.763 2.834 ( -0.000 2.035 0.000) 2.035 2.966 ( -0.000 3.278 0.000) 3.278 3.206 ( 0.000 -1.534 -0.000) 1.534 3.400 ( 0.000 -5.179 -0.000) 5.179 3.951 ( 0.000 -1.585 -0.000) 1.585 4.168 ( 0.000 -6.778 -0.000) 6.778 4.487 ( 0.000 -0.712 -0.000) 0.712 4.626 ( -0.000 4.782 0.000) 4.782 4.688 ( 0.000 -8.669 -0.000) 8.669 4.851 ( -0.000 2.815 0.000) 2.815 4.997 ( 0.000 -1.424 -0.000) 1.424 5.236 ( 0.000 -12.659 -0.000) 12.659 5.487 ( 0.000 -6.718 -0.000) 6.718 5.668 ( 0.000 -8.835 -0.000) 8.835 5.962 ( -0.000 22.810 0.000) 22.810 6.456 ( -0.000 5.723 0.000) 5.723 6.835 ( -0.000 2.248 0.000) 2.248 6.881 ( -0.000 14.900 0.000) 14.900 6.977 ( -0.000 3.227 0.000) 3.227 7.300 ( -0.000 4.957 0.000) 4.957 7.471 ( 0.000 -11.843 -0.000) 11.843 7.491 ( -0.000 7.963 0.000) 7.963 7.910 ( 0.000 -2.228 -0.000) 2.228 8.316 ( 0.000 -9.678 -0.000) 9.678 8.507 ( 0.000 -10.328 -0.000) 10.328 8.702 ( 0.000 -5.724 -0.000) 5.724 9.786 ( -0.000 9.093 0.000) 9.093 9.865 ( 0.000 -22.234 -0.000) 22.234 10.539 ( 0.000 -3.923 -0.000) 3.923 11.550 ( 0.000 -8.966 -0.000) 8.966 12.232 ( 0.000 -2.830 -0.000) 2.830 12.588 ( -0.000 4.064 0.000) 4.064 14.470 ( -0.000 0.138 0.000) 0.138 14.693 ( -0.000 3.576 0.000) 3.576 14.885 ( -0.000 3.756 0.000) 3.756 ======================= Grid point 23 (16/251) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.397 ( 9.052 0.000 14.821) 17.367 0.703 ( 18.097 0.000 10.311) 20.828 1.296 ( 35.233 0.000 8.985) 36.361 1.883 ( -4.990 -0.000 1.772) 5.295 2.195 ( -1.629 -0.000 -1.271) 2.066 2.498 ( -5.165 -0.000 -1.495) 5.377 2.704 ( -6.003 -0.000 5.513) 8.151 2.783 ( -2.659 -0.000 0.114) 2.661 2.967 ( -0.396 -0.000 21.445) 21.449 3.256 ( 1.559 0.000 -0.910) 1.805 3.329 ( -3.781 -0.000 -1.639) 4.121 4.149 ( -9.019 -0.000 1.104) 9.086 4.181 ( 2.115 0.000 3.273) 3.897 4.366 ( 4.015 0.000 -16.631) 17.108 4.446 ( 4.572 0.000 4.568) 6.463 4.738 ( 6.323 0.000 -1.573) 6.515 4.754 ( 0.200 0.000 -4.265) 4.270 5.179 ( -8.045 -0.000 3.356) 8.717 5.356 ( -7.873 -0.000 -1.867) 8.091 5.414 ( 4.159 0.000 4.772) 6.330 5.823 ( 6.089 0.000 -16.315) 17.414 5.993 ( -2.059 -0.000 0.814) 2.214 6.439 ( 2.981 0.000 -16.351) 16.621 6.486 ( -7.339 -0.000 -2.767) 7.843 6.675 ( -3.486 -0.000 2.738) 4.432 6.677 ( 2.139 0.000 -0.398) 2.176 7.210 ( -2.907 -0.000 3.057) 4.218 7.381 ( 11.548 0.000 -3.861) 12.177 7.921 ( 4.641 0.000 9.606) 10.669 7.964 ( -3.170 -0.000 4.136) 5.211 8.447 ( 5.082 0.000 10.745) 11.887 8.826 ( 0.258 0.000 -1.407) 1.431 9.220 ( 0.953 0.000 0.030) 0.954 9.584 ( -0.420 -0.000 -0.439) 0.608 10.250 ( -1.834 -0.000 1.135) 2.157 10.614 ( 2.879 0.000 -15.852) 16.111 11.616 ( -5.261 -0.000 -1.134) 5.382 11.933 ( -1.130 -0.000 9.260) 9.329 12.223 ( -4.417 -0.000 -2.241) 4.953 13.907 ( 6.127 0.000 2.130) 6.486 14.743 ( -2.817 -0.000 -1.024) 2.997 15.326 ( -3.178 -0.000 14.358) 14.705 ======================= Grid point 24 (17/251) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.592 ( 8.608 -11.056 7.623) 15.951 0.981 ( 13.485 -11.602 8.331) 19.643 1.627 ( 25.175 -6.157 8.052) 27.139 1.856 ( -5.239 -1.199 2.445) 5.904 2.189 ( -0.101 -1.215 -1.935) 2.287 2.451 ( -3.576 0.607 1.407) 3.890 2.634 ( -5.433 2.706 4.115) 7.332 2.758 ( -3.049 0.375 -0.261) 3.083 2.959 ( -2.050 2.824 14.650) 15.060 3.269 ( 0.911 -0.203 -1.735) 1.970 3.346 ( 0.661 -2.089 2.971) 3.692 3.973 ( -3.482 8.384 -2.297) 9.364 4.130 ( -2.183 2.717 2.981) 4.586 4.427 ( 2.491 -0.602 3.165) 4.073 4.615 ( 3.717 -5.557 -0.330) 6.693 4.669 ( 0.813 -0.654 -4.444) 4.565 4.820 ( 2.887 -0.966 -6.155) 6.867 5.101 ( -8.492 3.872 5.854) 11.017 5.289 ( 0.041 4.791 4.771) 6.761 5.447 ( 0.997 -5.483 -6.542) 8.594 5.708 ( 3.812 12.068 -19.079) 22.895 6.000 ( -0.073 -0.375 0.671) 0.772 6.321 ( -8.214 2.498 -4.814) 9.843 6.464 ( -4.486 -2.383 -5.463) 7.460 6.724 ( 0.404 -10.061 5.255) 11.358 6.960 ( 4.108 -18.398 -9.148) 20.953 7.172 ( -3.045 1.958 4.287) 5.611 7.404 ( 5.209 4.386 -5.606) 8.820 7.888 ( 6.926 3.221 10.916) 13.323 8.102 ( -0.156 -7.856 2.249) 8.173 8.484 ( 5.419 2.350 8.904) 10.685 8.797 ( 0.435 4.068 -2.850) 4.985 8.987 ( 4.105 20.330 0.173) 20.742 9.644 ( -0.519 -4.069 0.477) 4.129 10.142 ( -1.235 9.978 0.007) 10.054 10.597 ( 1.121 1.898 -5.850) 6.252 11.668 ( -4.027 -3.187 -0.448) 5.155 11.950 ( -3.766 -4.497 -1.869) 6.156 12.205 ( -6.818 -3.261 2.256) 7.887 14.004 ( 4.810 -4.706 0.652) 6.761 14.742 ( -3.176 -2.538 -1.387) 4.295 15.254 ( 0.121 7.148 9.292) 11.724 ======================= Grid point 25 (18/251) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( 6.452 -14.381 2.591) 15.974 1.281 ( 10.190 -9.595 5.568) 15.063 1.753 ( -3.189 0.984 0.323) 3.353 1.957 ( 5.848 -5.834 7.803) 11.363 2.242 ( 2.352 -3.363 -1.631) 4.416 2.453 ( 2.212 -1.593 6.173) 6.748 2.576 ( -2.984 -0.076 -0.836) 3.100 2.711 ( -3.730 1.497 -2.717) 4.851 2.915 ( -1.308 2.044 6.675) 7.103 3.272 ( -0.196 0.276 1.557) 1.594 3.389 ( 2.744 -1.059 1.236) 3.190 3.858 ( -4.856 1.390 0.282) 5.058 4.063 ( -1.521 3.839 3.191) 5.219 4.426 ( 0.728 2.513 3.358) 4.257 4.535 ( 0.498 8.298 0.677) 8.341 4.764 ( 2.450 0.890 -4.528) 5.224 4.867 ( 0.404 -3.764 -0.508) 3.820 4.919 ( -5.269 10.719 4.626) 12.808 5.220 ( 5.190 5.097 -2.326) 7.637 5.466 ( -0.088 8.475 -12.242) 14.890 5.651 ( 0.606 -14.153 -8.490) 16.516 5.995 ( -1.560 -0.798 -1.228) 2.140 6.273 ( -11.755 -5.839 2.662) 13.392 6.492 ( 1.595 -3.883 -7.327) 8.444 6.948 ( -0.348 -12.787 0.178) 12.792 7.107 ( -2.247 3.409 4.074) 5.768 7.299 ( 4.459 -10.094 -4.913) 12.079 7.340 ( 2.183 -3.449 -3.379) 5.299 7.911 ( 6.349 3.417 7.507) 10.409 8.215 ( 1.114 -3.131 0.670) 3.390 8.484 ( 3.525 3.774 6.527) 8.323 8.613 ( 2.461 16.482 3.905) 17.117 8.730 ( 3.200 10.735 -7.600) 13.537 9.668 ( -0.780 5.659 10.550) 11.998 9.942 ( 0.066 6.717 -6.755) 9.526 10.555 ( 0.901 2.714 -0.278) 2.873 11.573 ( -0.856 10.143 1.208) 10.251 12.019 ( -1.026 -4.765 -10.018) 11.141 12.263 ( -10.996 -10.477 6.284) 16.437 14.130 ( 3.750 -5.400 -0.462) 6.590 14.766 ( -3.788 -3.274 -2.187) 5.464 15.144 ( 1.317 7.100 5.788) 9.254 ======================= Grid point 26 (19/251) ======================= q-point: ( 0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.180 ( 3.978 -12.140 0.617) 12.790 1.484 ( 6.672 -4.826 2.509) 8.608 1.708 ( -2.708 -0.139 -0.531) 2.763 2.020 ( -5.771 -0.272 4.242) 7.167 2.291 ( 4.036 0.971 2.336) 4.763 2.547 ( -2.535 -0.292 0.288) 2.568 2.587 ( 4.573 -6.792 2.007) 8.430 2.680 ( -5.630 -3.505 -4.703) 8.130 2.923 ( 5.577 -0.769 -0.931) 5.706 3.252 ( -1.599 2.028 4.896) 5.535 3.455 ( 3.794 -3.692 0.472) 5.315 3.800 ( -6.944 1.431 1.678) 7.286 3.995 ( -0.456 3.134 1.828) 3.657 4.335 ( -3.014 10.405 5.930) 12.350 4.384 ( 1.714 6.525 -1.887) 7.006 4.670 ( -3.788 8.349 -8.837) 12.733 4.746 ( 4.142 4.674 -0.283) 6.251 4.888 ( -2.016 1.369 5.986) 6.463 5.193 ( 9.383 3.594 -4.626) 11.062 5.363 ( -0.967 1.571 -2.271) 2.925 5.772 ( -3.902 1.613 0.289) 4.232 6.137 ( -4.416 -19.578 -4.572) 20.584 6.349 ( -7.276 -11.176 -1.560) 13.427 6.601 ( 6.154 -5.901 -5.076) 9.923 6.983 ( -5.457 3.306 0.867) 6.439 7.183 ( 2.334 -8.134 -4.187) 9.442 7.306 ( 1.053 -2.594 5.476) 6.150 7.657 ( 7.392 -15.501 -4.023) 17.639 7.883 ( 2.202 4.092 4.452) 6.435 8.160 ( 0.532 10.851 0.290) 10.868 8.289 ( -0.606 15.665 -4.070) 16.196 8.516 ( 4.082 6.454 8.221) 11.221 8.576 ( 0.778 3.443 -3.968) 5.311 9.406 ( 0.828 21.676 10.986) 24.315 9.969 ( -0.246 -6.956 -4.974) 8.554 10.518 ( 0.536 2.131 0.668) 2.296 11.358 ( -0.352 12.514 -0.077) 12.519 12.061 ( 1.961 -1.792 -5.999) 6.561 12.397 ( -9.484 -11.654 3.692) 15.472 14.245 ( 3.407 -4.394 0.020) 5.560 14.784 ( -4.115 -2.628 -2.926) 5.692 15.053 ( 1.242 4.998 3.549) 6.254 ======================= Grid point 27 (20/251) ======================= q-point: ( 0.60 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( -0.041 -4.803 -0.079) 4.803 1.587 ( 1.598 -4.745 0.268) 5.014 1.712 ( 3.628 2.180 0.603) 4.275 1.955 ( -8.143 -0.234 0.721) 8.178 2.267 ( 4.159 5.095 0.004) 6.577 2.574 ( -1.036 -4.891 1.416) 5.196 2.705 ( -6.516 -5.762 -3.149) 9.251 2.756 ( 2.129 -7.414 0.322) 7.721 2.989 ( 6.016 -0.097 -1.468) 6.193 3.212 ( 0.773 1.647 2.723) 3.275 3.569 ( 1.384 -4.610 0.029) 4.813 3.690 ( -0.151 7.754 5.297) 9.392 3.951 ( -1.755 1.110 -0.717) 2.197 4.130 ( -6.530 6.139 -1.979) 9.179 4.271 ( 0.589 6.969 2.429) 7.404 4.560 ( -0.829 -0.051 -6.849) 6.899 4.701 ( 3.498 4.142 0.188) 5.425 4.841 ( -3.196 2.204 5.003) 6.332 5.206 ( 9.583 2.885 -1.553) 10.128 5.362 ( 1.311 -0.991 -0.924) 1.886 5.648 ( -8.242 5.090 -0.611) 9.706 6.420 ( -3.108 -12.467 15.976) 20.502 6.566 ( -1.471 -18.419 -19.236) 26.673 6.746 ( 4.322 -4.805 0.378) 6.474 6.914 ( -4.057 -1.332 -2.740) 5.074 7.278 ( 3.997 -2.872 -1.021) 5.027 7.451 ( 2.082 -8.361 2.681) 9.024 7.811 ( 0.096 2.035 4.080) 4.560 7.912 ( -1.184 14.859 -1.503) 14.982 7.960 ( 1.927 -1.957 -3.399) 4.370 7.998 ( 0.687 8.190 -3.783) 9.048 8.330 ( 1.521 12.502 2.196) 12.784 8.614 ( -0.960 -3.093 2.702) 4.218 9.040 ( 0.914 21.286 5.652) 22.043 10.082 ( -0.725 -5.856 -2.073) 6.254 10.490 ( -0.086 1.275 0.269) 1.306 11.167 ( 0.346 7.921 0.100) 7.930 12.100 ( 2.611 -1.393 -2.150) 3.658 12.524 ( -5.522 -8.629 1.124) 10.306 14.337 ( 3.205 -3.032 1.140) 4.557 14.786 ( -3.445 -1.618 -3.019) 4.858 15.003 ( 0.933 2.252 2.004) 3.156 ======================= Grid point 28 (21/251) ======================= q-point: (-0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( -1.602 4.053 0.011) 4.358 1.596 ( -0.150 7.079 0.593) 7.105 1.758 ( 3.659 -6.928 -0.771) 7.873 1.916 ( -4.414 0.503 -0.073) 4.443 2.213 ( 1.754 2.653 -0.897) 3.305 2.653 ( -0.703 -2.435 0.926) 2.699 2.791 ( 1.595 -5.983 1.924) 6.484 2.862 ( -3.172 -5.048 -3.410) 6.868 3.010 ( 2.338 0.050 2.424) 3.367 3.217 ( 2.181 0.494 -2.686) 3.494 3.386 ( -1.914 18.347 3.058) 18.698 3.750 ( 3.572 -6.566 0.082) 7.475 3.929 ( -0.857 -0.131 -1.647) 1.861 4.091 ( -1.693 -6.092 -1.479) 6.494 4.201 ( -4.472 -1.298 2.489) 5.280 4.587 ( 2.082 -0.792 -2.208) 3.137 4.667 ( 2.542 0.240 -1.535) 2.979 4.802 ( -4.124 -0.797 4.584) 6.217 5.239 ( 10.684 2.055 -0.083) 10.880 5.384 ( -1.317 -0.459 -2.622) 2.970 5.491 ( -7.847 4.457 0.597) 9.044 6.609 ( 1.377 -6.880 6.934) 9.865 6.786 ( 1.756 -1.486 -0.139) 2.304 6.835 ( 0.250 -9.811 -0.769) 9.844 6.970 ( -3.522 -7.006 -6.966) 10.489 7.368 ( 6.589 -1.515 -0.276) 6.767 7.580 ( 1.120 0.784 3.484) 3.743 7.655 ( 0.984 8.077 -4.624) 9.359 7.678 ( -6.689 13.042 2.157) 14.815 7.836 ( -0.885 -2.789 0.284) 2.940 7.874 ( -1.507 14.294 -0.357) 14.378 8.337 ( 2.901 -2.402 0.753) 3.841 8.645 ( -1.548 -0.648 -0.216) 1.692 8.758 ( -0.257 4.942 0.416) 4.967 10.131 ( -0.508 -0.069 -0.393) 0.646 10.473 ( -0.239 0.491 -0.027) 0.547 11.111 ( 0.630 -1.352 0.411) 1.547 12.139 ( 1.705 -1.181 0.040) 2.075 12.616 ( -1.944 -4.811 -0.294) 5.197 14.407 ( 2.583 -2.029 1.681) 3.690 14.779 ( -2.169 -0.684 -2.416) 3.318 14.988 ( 0.465 0.657 0.932) 1.232 ======================= Grid point 29 (22/251) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.203 ( -0.000 11.163 0.000) 11.163 1.420 ( -0.000 12.478 0.000) 12.478 1.855 ( -0.000 2.940 0.000) 2.940 1.910 ( 0.000 -6.328 -0.000) 6.328 2.210 ( 0.000 -1.566 -0.000) 1.566 2.583 ( -0.000 14.073 0.000) 14.073 2.786 ( -0.000 5.283 0.000) 5.283 2.923 ( 0.000 -0.517 -0.000) 0.517 3.085 ( 0.000 -8.175 -0.000) 8.175 3.117 ( -0.000 8.202 0.000) 8.202 3.203 ( -0.000 0.589 0.000) 0.589 3.892 ( 0.000 -7.837 -0.000) 7.837 3.932 ( 0.000 -0.517 -0.000) 0.517 4.273 ( 0.000 -12.130 -0.000) 12.130 4.281 ( 0.000 -10.964 -0.000) 10.964 4.558 ( -0.000 3.020 0.000) 3.020 4.757 ( 0.000 -6.403 -0.000) 6.403 4.849 ( 0.000 -6.614 -0.000) 6.614 5.236 ( -0.000 8.499 0.000) 8.499 5.334 ( 0.000 -2.302 -0.000) 2.302 5.452 ( 0.000 -1.939 -0.000) 1.939 6.667 ( -0.000 2.350 0.000) 2.350 6.799 ( 0.000 -0.987 -0.000) 0.987 6.871 ( -0.000 14.229 0.000) 14.229 7.043 ( 0.000 -6.433 -0.000) 6.433 7.354 ( -0.000 15.157 0.000) 15.157 7.387 ( -0.000 0.713 0.000) 0.713 7.418 ( -0.000 11.198 0.000) 11.198 7.677 ( -0.000 3.560 0.000) 3.560 7.740 ( 0.000 -6.573 -0.000) 6.573 8.001 ( 0.000 -13.485 -0.000) 13.485 8.216 ( -0.000 9.481 0.000) 9.481 8.635 ( -0.000 0.421 0.000) 0.421 8.976 ( 0.000 -22.559 -0.000) 22.559 10.077 ( -0.000 5.565 0.000) 5.565 10.470 ( 0.000 -0.331 -0.000) 0.331 11.207 ( 0.000 -8.256 -0.000) 8.256 12.166 ( 0.000 -1.144 -0.000) 1.144 12.660 ( 0.000 -0.956 -0.000) 0.956 14.451 ( 0.000 -1.340 -0.000) 1.340 14.768 ( -0.000 0.542 0.000) 0.542 14.978 ( -0.000 1.128 0.000) 1.128 ======================= Grid point 34 (23/251) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.580 ( 8.109 0.000 11.485) 14.060 0.994 ( 14.493 0.000 8.961) 17.040 1.798 ( -6.145 -0.000 0.662) 6.181 1.807 ( 25.260 0.000 8.599) 26.683 2.160 ( -1.567 -0.000 -3.316) 3.668 2.424 ( -3.787 -0.000 -0.368) 3.805 2.611 ( -7.715 -0.000 4.437) 8.900 2.735 ( -3.198 -0.000 1.064) 3.370 3.004 ( -1.413 -0.000 9.748) 9.850 3.278 ( 1.463 0.000 -0.861) 1.698 3.354 ( 4.659 0.000 10.483) 11.471 3.979 ( -12.880 -0.000 -0.043) 12.880 4.242 ( 3.614 0.000 5.369) 6.472 4.361 ( 2.167 0.000 -13.110) 13.288 4.546 ( 5.409 0.000 2.518) 5.967 4.738 ( 0.455 0.000 -4.021) 4.046 4.821 ( 5.022 0.000 -2.343) 5.541 5.089 ( -4.972 -0.000 5.506) 7.419 5.247 ( -5.967 -0.000 1.807) 6.235 5.521 ( 7.250 0.000 2.018) 7.526 5.813 ( 0.162 0.000 -15.236) 15.237 5.956 ( -2.770 -0.000 1.093) 2.978 6.335 ( -9.925 -0.000 -1.219) 9.999 6.379 ( -4.090 -0.000 -6.605) 7.769 6.669 ( 2.975 0.000 -7.650) 8.208 6.741 ( 6.230 0.000 -2.380) 6.669 7.166 ( -4.270 -0.000 4.081) 5.907 7.469 ( 0.520 0.000 -6.243) 6.265 8.001 ( 6.291 0.000 5.873) 8.607 8.035 ( 5.296 0.000 8.248) 9.802 8.560 ( 5.144 0.000 5.685) 7.667 8.827 ( 0.454 0.000 -1.470) 1.539 9.236 ( 1.081 0.000 -0.155) 1.092 9.575 ( -0.650 -0.000 -0.263) 0.701 10.227 ( -1.689 -0.000 1.275) 2.116 10.607 ( 2.237 0.000 -9.566) 9.824 11.528 ( -5.259 -0.000 -0.975) 5.349 11.940 ( -1.424 -0.000 5.853) 6.023 12.141 ( -4.770 -0.000 -2.253) 5.276 14.011 ( 5.802 0.000 2.127) 6.179 14.692 ( -3.015 -0.000 -1.223) 3.254 15.328 ( -1.493 -0.000 6.970) 7.128 ======================= Grid point 35 (24/251) ======================= q-point: ( 0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.744 ( 7.003 -9.139 6.649) 13.296 1.199 ( 10.471 -8.611 7.377) 15.434 1.744 ( -5.435 1.074 -0.470) 5.560 1.990 ( 12.327 -0.304 8.861) 15.184 2.177 ( -0.075 -3.532 -4.440) 5.674 2.419 ( -0.975 -2.423 0.660) 2.694 2.559 ( -4.937 0.103 3.026) 5.791 2.709 ( -2.837 0.864 0.367) 2.988 2.990 ( 2.293 3.264 7.184) 8.217 3.265 ( 0.536 0.806 -2.334) 2.527 3.426 ( 4.667 0.132 8.714) 9.886 3.844 ( -11.425 2.740 -0.913) 11.785 4.149 ( 2.659 6.311 2.100) 7.163 4.451 ( -0.576 -1.665 -2.234) 2.845 4.675 ( 2.540 -3.890 1.371) 4.844 4.701 ( 5.051 -0.840 0.019) 5.120 4.837 ( 2.548 1.049 -6.895) 7.425 5.024 ( -4.453 4.840 7.413) 9.910 5.269 ( -3.019 -4.279 3.200) 6.137 5.501 ( 6.434 4.126 -2.366) 8.001 5.677 ( 0.984 10.583 -17.818) 20.747 5.982 ( -2.143 -1.025 0.317) 2.397 6.141 ( -11.925 3.692 -0.216) 12.485 6.397 ( -2.413 -5.588 -2.911) 6.747 6.783 ( 5.376 -7.639 -0.249) 9.344 6.989 ( 3.446 -18.538 -7.578) 20.321 7.139 ( -3.366 -0.373 4.081) 5.303 7.390 ( -3.759 4.996 -3.656) 7.243 8.040 ( 7.767 3.333 4.688) 9.665 8.140 ( 3.166 -5.213 4.895) 7.820 8.586 ( 3.899 2.404 4.580) 6.477 8.795 ( 0.771 4.055 -2.507) 4.829 9.036 ( 2.285 18.379 0.019) 18.521 9.643 ( 0.153 -5.331 0.910) 5.410 10.122 ( -1.291 10.028 0.184) 10.113 10.599 ( 1.408 1.371 -3.751) 4.235 11.594 ( -4.325 -7.606 -1.355) 8.854 11.911 ( -1.627 0.660 0.770) 1.917 12.114 ( -5.223 -1.622 0.336) 5.479 14.087 ( 4.705 -3.265 1.286) 5.869 14.686 ( -3.031 -2.022 -1.421) 3.910 15.276 ( -0.229 5.478 4.573) 7.140 ======================= Grid point 36 (25/251) ======================= q-point: ( 0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.997 ( 4.712 -12.345 2.384) 13.427 1.439 ( 7.492 -8.310 5.632) 12.526 1.675 ( -4.854 1.187 -2.773) 5.714 2.020 ( -0.868 2.934 5.113) 5.959 2.261 ( 0.939 -6.156 -0.280) 6.233 2.504 ( 2.473 -5.083 -3.081) 6.437 2.545 ( -2.110 -0.615 5.606) 6.021 2.650 ( -2.721 3.210 -1.078) 4.344 2.974 ( 5.937 2.013 2.151) 6.627 3.261 ( -0.002 -0.066 -0.736) 0.739 3.450 ( 2.881 0.418 2.811) 4.046 3.739 ( -9.488 -0.057 0.453) 9.499 4.071 ( 0.853 5.116 1.793) 5.488 4.445 ( 0.191 0.436 -0.669) 0.821 4.562 ( 2.096 11.650 4.616) 12.706 4.784 ( 0.737 6.389 -6.255) 8.971 4.836 ( -0.381 1.218 -1.499) 1.968 4.909 ( -1.154 2.784 8.298) 8.828 5.314 ( 7.021 0.384 -0.406) 7.043 5.429 ( -0.136 7.732 -6.868) 10.343 5.631 ( 1.037 -9.893 -8.966) 13.392 5.902 ( -9.111 0.004 -0.798) 9.145 6.137 ( -5.625 -7.583 3.072) 9.928 6.516 ( 2.829 -7.655 -3.745) 8.979 6.946 ( 0.315 -5.088 -0.985) 5.192 7.118 ( 2.075 -1.218 2.185) 3.250 7.278 ( -4.750 0.980 0.222) 4.855 7.375 ( 3.107 -19.344 -3.832) 19.963 8.005 ( 3.463 6.022 2.334) 7.328 8.248 ( 1.944 -2.335 2.946) 4.232 8.509 ( -0.588 9.579 -1.739) 9.753 8.684 ( 2.630 11.396 9.465) 15.045 8.748 ( 2.495 11.720 -8.288) 14.570 9.722 ( 2.614 3.130 9.926) 10.731 9.899 ( -2.290 7.929 -7.120) 10.900 10.569 ( 0.880 2.556 -0.195) 2.710 11.559 ( -1.067 8.921 0.477) 8.997 11.991 ( 1.472 -8.573 -7.602) 11.552 12.132 ( -8.261 -6.859 5.615) 12.116 14.192 ( 3.484 -4.545 0.586) 5.756 14.702 ( -3.051 -2.600 -1.737) 4.369 15.172 ( 0.495 6.607 2.682) 7.148 ======================= Grid point 37 (26/251) ======================= q-point: ( 0.60 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( 1.725 -9.917 0.425) 10.074 1.557 ( 1.352 0.206 1.587) 2.095 1.704 ( 2.414 -7.412 -1.338) 7.909 1.924 ( -5.928 4.817 1.820) 7.852 2.379 ( 6.063 -0.376 1.775) 6.329 2.481 ( -5.605 -1.499 -0.661) 5.840 2.587 ( -2.559 -0.439 -2.432) 3.557 2.664 ( 2.212 -6.423 2.139) 7.122 3.016 ( 4.415 -0.932 -1.169) 4.662 3.250 ( 0.367 1.537 1.228) 2.001 3.497 ( 1.247 -3.676 0.413) 3.904 3.696 ( -5.355 -1.561 1.064) 5.678 3.988 ( -0.460 4.153 -0.230) 4.184 4.326 ( -0.423 15.052 1.610) 15.144 4.446 ( 5.161 5.040 5.130) 8.852 4.562 ( -5.806 8.362 -7.580) 12.692 4.791 ( 1.555 3.499 0.075) 3.829 4.881 ( -0.817 2.584 2.246) 3.520 5.309 ( 2.874 3.868 -3.200) 5.785 5.403 ( 9.211 0.159 2.293) 9.493 5.635 ( -11.277 2.519 -2.616) 11.848 6.083 ( -1.485 -21.953 0.162) 22.004 6.273 ( -1.995 -10.379 -1.339) 10.653 6.681 ( 4.443 -7.974 -2.150) 9.378 6.910 ( -3.504 4.138 0.477) 5.444 7.212 ( 2.010 -4.783 -2.011) 5.564 7.322 ( -0.568 -7.813 2.775) 8.311 7.725 ( 2.575 -17.519 -1.421) 17.764 7.906 ( 0.089 6.476 0.901) 6.539 8.176 ( 0.745 12.834 2.429) 13.083 8.255 ( -1.048 15.852 -4.305) 16.460 8.572 ( -0.591 0.953 6.763) 6.855 8.588 ( 2.498 11.010 -4.650) 12.210 9.459 ( 1.282 22.488 4.997) 23.072 9.943 ( -0.741 -8.044 -2.584) 8.482 10.526 ( 0.256 2.570 0.245) 2.594 11.353 ( -0.191 12.132 0.021) 12.134 12.086 ( 2.612 -1.948 -3.293) 4.633 12.284 ( -5.421 -13.594 2.383) 14.828 14.294 ( 2.004 -4.222 0.472) 4.697 14.723 ( -2.023 -2.367 -1.393) 3.411 15.074 ( 0.384 4.927 1.166) 5.077 ======================= Grid point 38 (27/251) ======================= q-point: (-0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( 0.000 -3.112 -0.000) 3.112 1.598 ( 0.000 -4.677 -0.000) 4.677 1.777 ( -0.000 6.690 0.000) 6.690 1.859 ( 0.000 -5.571 -0.000) 5.571 2.306 ( -0.000 6.442 0.000) 6.442 2.575 ( 0.000 -6.208 -0.000) 6.208 2.636 ( 0.000 -7.125 -0.000) 7.125 2.773 ( 0.000 -4.966 -0.000) 4.966 3.037 ( -0.000 0.603 0.000) 0.603 3.231 ( -0.000 0.665 0.000) 0.665 3.569 ( 0.000 -0.915 -0.000) 0.915 3.703 ( 0.000 -0.461 -0.000) 0.461 3.933 ( -0.000 1.545 0.000) 1.545 4.074 ( -0.000 9.426 0.000) 9.426 4.283 ( -0.000 9.898 0.000) 9.898 4.536 ( 0.000 -3.232 -0.000) 3.232 4.731 ( -0.000 3.978 0.000) 3.978 4.822 ( -0.000 3.303 0.000) 3.303 5.282 ( -0.000 0.296 0.000) 0.296 5.444 ( -0.000 2.865 0.000) 2.865 5.504 ( -0.000 3.294 0.000) 3.294 6.452 ( 0.000 -10.815 -0.000) 10.815 6.493 ( 0.000 -22.846 -0.000) 22.846 6.821 ( -0.000 3.041 0.000) 3.041 6.842 ( 0.000 -7.238 -0.000) 7.238 7.313 ( 0.000 -5.785 -0.000) 5.785 7.474 ( 0.000 -8.141 -0.000) 8.141 7.803 ( -0.000 4.524 0.000) 4.524 7.917 ( -0.000 14.410 0.000) 14.410 7.936 ( -0.000 13.557 0.000) 13.557 8.018 ( 0.000 -6.161 -0.000) 6.161 8.348 ( -0.000 12.882 0.000) 12.882 8.611 ( 0.000 -2.549 -0.000) 2.549 9.059 ( -0.000 22.589 0.000) 22.589 10.070 ( 0.000 -6.035 -0.000) 6.035 10.490 ( -0.000 1.532 0.000) 1.532 11.170 ( -0.000 7.480 0.000) 7.480 12.122 ( 0.000 -1.511 -0.000) 1.511 12.477 ( 0.000 -9.736 -0.000) 9.736 14.370 ( 0.000 -3.300 -0.000) 3.300 14.749 ( 0.000 -1.561 -0.000) 1.561 15.013 ( -0.000 2.236 0.000) 2.236 ======================= Grid point 45 (28/251) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.719 ( 5.081 0.000 6.417) 8.185 1.208 ( 8.945 0.000 6.224) 10.897 1.710 ( -4.650 -0.000 -0.804) 4.719 2.089 ( 2.627 0.000 10.871) 11.183 2.149 ( 6.376 0.000 -8.396) 10.543 2.380 ( -1.817 -0.000 0.172) 1.825 2.515 ( -5.602 -0.000 2.332) 6.068 2.701 ( -1.475 -0.000 0.650) 1.611 3.062 ( 6.695 0.000 3.922) 7.759 3.293 ( 0.745 0.000 -0.529) 0.913 3.485 ( 5.128 0.000 10.760) 11.920 3.761 ( -13.976 -0.000 -0.787) 13.998 4.326 ( 4.110 0.000 6.261) 7.489 4.341 ( 0.561 0.000 -8.931) 8.948 4.569 ( -1.788 -0.000 -5.459) 5.744 4.781 ( 4.776 0.000 1.861) 5.126 4.876 ( 3.052 0.000 -1.867) 3.578 5.068 ( -0.628 -0.000 5.323) 5.360 5.182 ( -3.404 -0.000 2.197) 4.052 5.626 ( 4.645 0.000 -2.161) 5.123 5.742 ( -2.001 -0.000 -7.629) 7.887 5.921 ( -1.989 -0.000 0.634) 2.088 6.194 ( -7.104 -0.000 -0.564) 7.126 6.301 ( -3.121 -0.000 -2.433) 3.957 6.688 ( 2.341 0.000 -6.012) 6.452 6.846 ( 8.663 0.000 -3.946) 9.519 7.099 ( -6.864 -0.000 4.874) 8.418 7.402 ( -4.304 -0.000 -3.487) 5.539 8.129 ( 3.418 0.000 4.548) 5.689 8.145 ( 7.752 0.000 2.979) 8.305 8.639 ( 2.976 0.000 2.392) 3.818 8.830 ( 0.515 0.000 -0.893) 1.031 9.251 ( 0.877 0.000 -0.205) 0.901 9.564 ( -0.599 -0.000 -0.079) 0.604 10.209 ( -1.005 -0.000 0.890) 1.342 10.614 ( 1.716 0.000 -4.504) 4.820 11.453 ( -3.622 -0.000 -0.630) 3.677 11.935 ( -1.051 -0.000 2.861) 3.048 12.068 ( -3.306 -0.000 -1.450) 3.610 14.092 ( 3.497 0.000 1.358) 3.751 14.647 ( -1.982 -0.000 -0.886) 2.171 15.330 ( -0.610 -0.000 2.894) 2.957 ======================= Grid point 46 (29/251) ======================= q-point: ( 0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( 2.718 -8.561 2.610) 9.353 1.344 ( 4.754 -7.521 3.748) 9.655 1.667 ( -2.997 1.400 -1.296) 3.553 2.115 ( 1.595 3.508 8.272) 9.126 2.154 ( -0.262 -2.616 -6.644) 7.145 2.416 ( 0.180 -4.991 -0.306) 5.004 2.514 ( -1.989 -2.104 1.625) 3.321 2.681 ( -0.900 1.563 0.037) 1.804 3.091 ( 5.916 4.146 2.642) 7.692 3.274 ( 1.295 1.198 -0.704) 1.899 3.507 ( 1.813 2.399 3.131) 4.342 3.663 ( -8.819 -0.152 0.181) 8.822 4.199 ( 2.120 7.585 1.395) 7.998 4.415 ( -1.586 -1.925 -2.593) 3.598 4.703 ( 0.455 -10.680 1.264) 10.764 4.763 ( 2.106 4.890 -1.656) 5.575 4.872 ( 3.268 1.970 -1.651) 4.158 5.003 ( -1.596 5.873 4.771) 7.733 5.241 ( -1.334 -6.383 1.242) 6.638 5.581 ( 2.336 9.506 -0.073) 9.789 5.636 ( 1.769 2.802 -9.244) 9.821 5.937 ( -3.531 10.681 -0.294) 11.253 6.002 ( -4.454 -2.963 1.428) 5.537 6.366 ( -0.761 -8.409 -0.856) 8.487 6.863 ( 4.078 -8.271 -1.235) 9.304 7.021 ( 4.238 -13.984 -5.464) 15.601 7.086 ( -5.731 -5.747 5.102) 9.587 7.317 ( -2.799 5.261 -1.440) 6.131 8.131 ( 2.524 4.055 0.702) 4.828 8.211 ( 2.670 -2.697 2.777) 4.703 8.632 ( 0.893 3.904 0.982) 4.123 8.802 ( 0.663 3.042 -0.775) 3.208 9.060 ( 0.776 17.582 -0.020) 17.599 9.651 ( 0.323 -7.144 0.459) 7.166 10.107 ( -0.621 10.622 0.130) 10.640 10.609 ( 0.746 1.227 -1.242) 1.899 11.540 ( -1.831 -9.056 -0.608) 9.259 11.897 ( -0.542 2.096 0.471) 2.216 12.055 ( -2.079 -0.973 -0.069) 2.297 14.144 ( 1.898 -3.147 0.612) 3.725 14.647 ( -1.289 -1.389 -0.635) 1.999 15.284 ( -0.082 4.841 1.373) 5.032 ======================= Grid point 47 (30/251) ======================= q-point: ( 0.60 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.041 ( 0.000 -11.759 -0.000) 11.759 1.532 ( 0.000 -10.367 -0.000) 10.367 1.610 ( -0.000 3.176 0.000) 3.176 2.012 ( -0.000 6.490 0.000) 6.490 2.269 ( 0.000 -8.786 -0.000) 8.786 2.511 ( -0.000 2.225 0.000) 2.225 2.542 ( 0.000 -8.045 -0.000) 8.045 2.627 ( -0.000 4.008 0.000) 4.008 3.040 ( -0.000 2.530 0.000) 2.530 3.272 ( -0.000 0.500 0.000) 0.500 3.477 ( -0.000 0.835 0.000) 0.835 3.643 ( 0.000 -1.305 -0.000) 1.305 4.084 ( -0.000 6.464 0.000) 6.464 4.441 ( 0.000 -1.456 -0.000) 1.456 4.600 ( -0.000 11.800 0.000) 11.800 4.758 ( -0.000 9.660 0.000) 9.660 4.849 ( -0.000 2.502 0.000) 2.502 4.913 ( -0.000 1.671 0.000) 1.671 5.388 ( 0.000 -8.711 -0.000) 8.711 5.413 ( -0.000 7.819 0.000) 7.819 5.622 ( -0.000 2.270 0.000) 2.270 5.802 ( 0.000 -4.831 -0.000) 4.831 6.104 ( 0.000 -7.826 -0.000) 7.826 6.533 ( 0.000 -9.734 -0.000) 9.734 6.948 ( 0.000 -0.306 -0.000) 0.306 7.168 ( 0.000 -8.101 -0.000) 8.101 7.208 ( -0.000 3.602 0.000) 3.602 7.393 ( 0.000 -20.438 -0.000) 20.438 8.036 ( -0.000 7.161 0.000) 7.161 8.274 ( 0.000 -1.716 -0.000) 1.716 8.494 ( -0.000 11.532 0.000) 11.532 8.738 ( -0.000 16.861 0.000) 16.861 8.739 ( -0.000 5.195 0.000) 5.195 9.790 ( 0.000 -8.087 -0.000) 8.087 9.840 ( -0.000 18.552 0.000) 18.552 10.576 ( -0.000 2.574 0.000) 2.574 11.550 ( -0.000 8.273 0.000) 8.273 11.998 ( 0.000 -13.942 -0.000) 13.942 12.067 ( 0.000 -1.388 -0.000) 1.388 14.224 ( 0.000 -4.524 -0.000) 4.524 14.673 ( 0.000 -2.186 -0.000) 2.186 15.181 ( -0.000 6.419 0.000) 6.419 ======================= Grid point 58 (31/251) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.772 ( 0.000 0.000 -0.000) 0.000 1.294 ( 0.000 0.000 -0.000) 0.000 1.668 ( 0.000 0.000 0.000) 0.000 2.095 ( 0.000 0.000 0.000) 0.000 2.206 ( 0.000 0.000 -0.000) 0.000 2.366 ( 0.000 0.000 -0.000) 0.000 2.472 ( 0.000 0.000 0.000) 0.000 2.691 ( 0.000 0.000 -0.000) 0.000 3.163 ( 0.000 0.000 -0.000) 0.000 3.297 ( 0.000 0.000 0.000) 0.000 3.543 ( 0.000 0.000 0.000) 0.000 3.622 ( 0.000 0.000 0.000) 0.000 4.326 ( 0.000 0.000 0.000) 0.000 4.385 ( 0.000 0.000 -0.000) 0.000 4.524 ( 0.000 0.000 0.000) 0.000 4.830 ( 0.000 0.000 0.000) 0.000 4.898 ( 0.000 0.000 -0.000) 0.000 5.081 ( 0.000 0.000 -0.000) 0.000 5.159 ( 0.000 0.000 0.000) 0.000 5.630 ( -0.000 -0.000 0.000) 0.000 5.736 ( 0.000 0.000 -0.000) 0.000 5.905 ( 0.000 0.000 0.000) 0.000 6.133 ( 0.000 0.000 -0.000) 0.000 6.272 ( 0.000 0.000 0.000) 0.000 6.696 ( 0.000 0.000 -0.000) 0.000 6.956 ( -0.000 -0.000 0.000) 0.000 7.005 ( 0.000 0.000 -0.000) 0.000 7.358 ( 0.000 0.000 0.000) 0.000 8.165 ( 0.000 0.000 -0.000) 0.000 8.216 ( 0.000 0.000 -0.000) 0.000 8.667 ( 0.000 0.000 -0.000) 0.000 8.833 ( 0.000 0.000 0.000) 0.000 9.258 ( 0.000 0.000 0.000) 0.000 9.558 ( 0.000 0.000 -0.000) 0.000 10.203 ( 0.000 0.000 0.000) 0.000 10.620 ( 0.000 0.000 0.000) 0.000 11.422 ( 0.000 0.000 0.000) 0.000 11.932 ( 0.000 0.000 0.000) 0.000 12.038 ( 0.000 0.000 0.000) 0.000 14.123 ( 0.000 0.000 -0.000) 0.000 14.630 ( 0.000 0.000 0.000) 0.000 15.330 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 105 (32/251) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.347 ( 10.532 0.000 17.165) 20.139 0.423 ( 8.177 0.000 21.189) 22.712 0.753 ( 0.408 0.000 36.097) 36.099 1.971 ( 1.767 0.000 1.535) 2.341 2.306 ( -3.004 -0.000 7.337) 7.928 2.626 ( -3.784 -0.000 -0.028) 3.784 2.682 ( 6.885 0.000 2.363) 7.279 2.795 ( 5.993 0.000 4.565) 7.534 3.031 ( 8.548 0.000 13.410) 15.903 3.235 ( -0.982 -0.000 -0.105) 0.987 3.485 ( -4.888 -0.000 1.864) 5.231 4.112 ( 2.260 0.000 -2.785) 3.586 4.259 ( -3.634 -0.000 -1.964) 4.130 4.394 ( 3.513 0.000 1.361) 3.767 4.485 ( -9.884 -0.000 -2.311) 10.150 4.597 ( -20.356 -0.000 -0.552) 20.364 4.693 ( -0.810 -0.000 -7.022) 7.069 4.911 ( 16.779 0.000 -10.854) 19.984 5.248 ( 0.976 0.000 -4.316) 4.425 5.315 ( 6.988 0.000 -7.970) 10.599 5.757 ( -13.619 -0.000 4.636) 14.387 6.007 ( -2.394 -0.000 0.758) 2.511 6.412 ( -3.688 -0.000 2.591) 4.507 6.450 ( 0.171 0.000 -6.391) 6.393 6.774 ( -1.633 -0.000 4.192) 4.499 7.133 ( -0.554 -0.000 -0.688) 0.883 7.137 ( -7.166 -0.000 2.757) 7.678 7.380 ( -0.859 -0.000 10.778) 10.812 7.758 ( 14.206 0.000 -4.320) 14.848 8.087 ( 0.104 0.000 4.535) 4.537 8.416 ( 9.445 0.000 -0.910) 9.489 8.734 ( 1.086 0.000 -7.931) 8.005 9.120 ( 2.118 0.000 -7.772) 8.055 9.528 ( 4.940 0.000 -5.936) 7.723 9.813 ( -6.926 -0.000 7.162) 9.963 10.312 ( 0.116 0.000 2.781) 2.784 11.744 ( 0.811 0.000 1.362) 1.585 12.315 ( -2.047 -0.000 0.091) 2.049 13.723 ( -53.283 -0.000 2.328) 53.334 13.799 ( 1.528 0.000 1.642) 2.243 14.785 ( -0.423 -0.000 -0.989) 1.076 15.243 ( 48.523 0.000 -3.497) 48.648 ======================= Grid point 106 (33/251) ======================= q-point: ( 0.10 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.570 ( 5.915 -8.296 14.568) 17.777 0.613 ( 12.691 -11.059 12.748) 21.116 1.119 ( 10.820 -22.905 24.159) 35.006 2.010 ( 2.035 -1.414 2.009) 3.190 2.255 ( -2.897 4.406 5.320) 7.490 2.591 ( -5.149 -0.529 1.435) 5.371 2.737 ( 4.561 -0.041 2.694) 5.297 2.785 ( 3.453 7.018 5.204) 9.395 3.124 ( 5.441 0.489 12.184) 13.353 3.237 ( -0.122 -1.316 2.312) 2.663 3.463 ( -3.354 -0.962 3.380) 4.858 4.028 ( -5.887 6.452 -1.187) 8.814 4.239 ( 0.746 5.839 3.016) 6.614 4.402 ( 3.662 -13.606 -3.859) 14.610 4.451 ( 1.316 2.985 -4.973) 5.947 4.604 ( -6.810 -5.775 -4.189) 9.862 4.682 ( -1.440 0.083 -7.224) 7.366 4.921 ( 12.767 7.571 -14.164) 20.516 5.358 ( 1.731 -7.191 -9.242) 11.837 5.367 ( 3.367 -0.896 -5.630) 6.621 5.581 ( -11.264 6.998 3.144) 13.628 5.965 ( -2.441 2.257 4.426) 5.536 6.364 ( -5.297 -0.261 1.424) 5.491 6.482 ( 1.391 -4.655 -10.033) 11.147 6.809 ( -3.970 -5.667 3.020) 7.549 7.101 ( -5.517 -3.453 6.971) 9.537 7.165 ( -0.203 -1.573 -2.756) 3.180 7.393 ( -3.256 -0.865 7.406) 8.136 7.825 ( 13.743 5.224 2.935) 14.992 8.041 ( 4.071 4.011 2.651) 6.300 8.427 ( 3.159 3.942 -3.655) 6.235 8.710 ( -0.156 2.569 -6.200) 6.713 8.819 ( 4.157 18.563 1.838) 19.111 9.638 ( -0.238 -5.353 -1.605) 5.594 10.127 ( 4.071 -14.844 -15.123) 21.578 10.233 ( 0.916 6.258 2.220) 6.703 11.743 ( 0.254 1.518 1.488) 2.141 12.239 ( -4.496 5.214 2.984) 7.504 13.150 ( -30.993 11.954 31.610) 45.855 13.943 ( -6.747 -9.421 -7.814) 13.976 14.799 ( -1.410 -2.356 -1.547) 3.152 15.219 ( 17.138 17.058 2.864) 24.349 ======================= Grid point 107 (34/251) ======================= q-point: ( 0.20 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( 1.638 -14.580 5.576) 15.695 0.952 ( 13.204 -11.965 7.736) 19.425 1.641 ( 9.709 -20.664 13.751) 26.652 2.036 ( -1.574 0.336 4.499) 4.778 2.164 ( 1.201 2.983 1.466) 3.535 2.564 ( -2.805 1.852 5.636) 6.562 2.670 ( 1.179 6.560 0.365) 6.675 2.756 ( -1.181 -0.019 3.351) 3.553 3.099 ( -1.522 4.151 1.195) 4.580 3.322 ( 2.595 -4.522 11.283) 12.430 3.438 ( -3.484 1.913 7.014) 8.062 3.920 ( -1.534 1.798 -2.397) 3.366 4.150 ( -0.233 5.483 1.157) 5.608 4.410 ( 1.707 1.566 -5.324) 5.806 4.535 ( 2.543 5.623 -12.626) 14.053 4.575 ( 0.059 2.990 -4.884) 5.727 4.695 ( -0.498 0.274 -8.218) 8.238 4.935 ( 3.900 -7.637 -3.517) 9.268 5.261 ( -4.045 8.440 4.525) 10.396 5.454 ( -0.339 -5.965 -11.110) 12.615 5.492 ( -3.785 -1.489 -0.149) 4.070 5.951 ( 0.495 -1.642 3.355) 3.768 6.368 ( -0.904 -2.434 -4.050) 4.811 6.568 ( -1.630 -6.342 -10.440) 12.324 6.929 ( -2.565 -10.191 -1.915) 10.681 7.137 ( -2.939 -0.655 0.049) 3.012 7.202 ( 1.897 -4.926 4.751) 7.102 7.374 ( -4.954 0.349 3.695) 6.190 7.838 ( 9.816 4.678 10.623) 15.202 8.023 ( 8.053 4.102 -5.622) 10.644 8.364 ( 5.866 5.655 -0.704) 8.178 8.539 ( 1.412 15.238 -3.559) 15.711 8.655 ( 0.005 3.187 1.615) 3.573 9.739 ( 4.589 -1.646 -5.539) 7.379 9.966 ( -5.595 11.672 9.623) 16.129 10.357 ( 3.549 -4.936 -12.328) 13.746 11.670 ( -0.625 7.746 4.840) 9.155 12.123 ( -5.805 2.777 4.768) 8.009 12.920 ( -16.652 1.697 23.903) 29.182 14.032 ( -2.706 -6.884 -9.381) 11.947 14.829 ( -2.272 -2.774 -2.930) 4.630 15.096 ( 7.826 8.763 3.232) 12.185 ======================= Grid point 108 (35/251) ======================= q-point: ( 0.30 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.104 ( 1.376 -14.628 1.255) 14.746 1.245 ( 9.703 -9.506 4.937) 14.453 1.895 ( -3.253 0.046 6.129) 6.939 2.046 ( 4.721 -1.967 3.738) 6.335 2.246 ( 1.672 -8.496 0.315) 8.665 2.498 ( 2.899 4.600 10.989) 12.261 2.611 ( -0.856 -1.282 -13.105) 13.195 2.746 ( -5.436 -1.149 6.456) 8.518 2.985 ( -3.183 5.987 -3.802) 7.773 3.381 ( -3.490 0.468 7.995) 8.736 3.450 ( 3.228 -1.634 13.186) 13.674 3.888 ( 0.447 2.750 -5.381) 6.060 4.054 ( -0.464 4.285 1.422) 4.539 4.304 ( -0.055 10.280 -8.661) 13.443 4.440 ( 3.209 1.372 -7.348) 8.135 4.485 ( 3.737 8.386 -4.636) 10.285 4.642 ( -5.880 -0.524 -2.539) 6.426 4.941 ( -0.808 6.473 -1.021) 6.603 5.221 ( -5.722 -2.384 10.329) 12.046 5.482 ( -5.424 -0.579 4.479) 7.058 5.587 ( 11.258 -5.751 -6.821) 14.365 6.056 ( -1.279 -11.254 -11.201) 15.930 6.403 ( -0.979 -4.296 -9.990) 10.919 6.630 ( -3.690 -4.740 -5.218) 7.957 7.034 ( -1.260 -2.868 -8.932) 9.466 7.191 ( -2.924 -7.692 -0.063) 8.229 7.315 ( 1.642 -0.168 7.337) 7.521 7.376 ( 3.027 -7.494 0.497) 8.097 7.820 ( 5.799 6.336 5.622) 10.265 7.977 ( 6.550 6.667 -6.663) 11.478 8.278 ( 1.085 13.664 -0.692) 13.724 8.333 ( 6.597 3.748 0.429) 7.600 8.648 ( 0.374 -1.428 5.745) 5.931 9.517 ( 2.295 22.797 2.427) 23.040 9.981 ( -2.773 -9.215 5.920) 11.298 10.403 ( 1.925 -0.979 -8.122) 8.405 11.490 ( -2.402 11.610 9.181) 14.995 12.081 ( -4.889 -1.512 3.116) 5.992 12.847 ( -9.689 0.011 15.497) 18.277 14.114 ( 0.329 -5.208 -8.997) 10.401 14.844 ( -2.772 -1.821 -4.843) 5.870 15.024 ( 3.695 5.221 1.784) 6.640 ======================= Grid point 109 (36/251) ======================= q-point: ( 0.40 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( 1.052 -10.141 1.036) 10.248 1.456 ( 5.541 -7.043 1.910) 9.162 1.827 ( -5.425 3.176 4.812) 7.917 2.069 ( 4.039 2.821 -0.090) 4.928 2.268 ( -3.963 3.807 4.268) 6.958 2.581 ( 4.288 -5.171 -2.946) 7.335 2.680 ( 0.041 -6.083 -7.387) 9.569 2.762 ( -2.161 -6.351 3.416) 7.528 2.851 ( -1.931 4.955 -4.136) 6.737 3.369 ( -1.871 1.084 8.855) 9.115 3.463 ( 3.020 4.426 6.285) 8.259 3.768 ( -1.379 8.625 -4.804) 9.968 4.003 ( -0.173 2.875 -1.204) 3.121 4.169 ( -0.443 1.627 -2.509) 3.023 4.346 ( 3.509 8.248 -4.733) 10.136 4.451 ( -0.204 -1.647 -1.595) 2.302 4.625 ( -4.160 -2.238 0.609) 4.763 4.850 ( 3.348 4.134 -0.437) 5.338 5.214 ( -5.489 -0.726 9.698) 11.167 5.448 ( -4.996 0.501 5.041) 7.115 5.686 ( 6.624 2.683 0.284) 7.152 6.254 ( 3.957 -10.706 -18.719) 21.924 6.511 ( -0.681 -10.985 -15.210) 18.775 6.668 ( -0.520 -3.374 -2.605) 4.294 7.047 ( -1.226 -2.057 -6.294) 6.734 7.195 ( -8.522 0.011 0.352) 8.529 7.404 ( 1.923 -5.814 -0.470) 6.142 7.593 ( 10.921 -6.374 -5.582) 13.823 7.777 ( 3.732 0.262 4.230) 5.647 7.867 ( 1.671 6.937 -4.099) 8.229 8.070 ( 0.584 11.341 3.401) 11.855 8.328 ( 1.981 1.479 3.359) 4.171 8.705 ( 0.047 -2.426 5.844) 6.328 9.122 ( 0.861 22.811 5.990) 23.600 10.135 ( -1.396 -7.756 5.196) 9.439 10.412 ( 1.410 -0.279 -6.258) 6.421 11.298 ( -2.970 8.516 11.203) 14.382 12.098 ( -3.302 -3.036 3.992) 6.005 12.805 ( -5.576 0.932 10.066) 11.545 14.185 ( 2.480 -3.219 -8.112) 9.073 14.836 ( -2.886 -1.047 -5.602) 6.388 14.974 ( 2.239 3.184 0.614) 3.941 ======================= Grid point 110 (37/251) ======================= q-point: (-0.50 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( -1.023 -0.395 2.716) 2.929 1.601 ( 3.627 -5.518 -0.606) 6.631 1.713 ( -4.537 6.440 5.307) 9.498 2.052 ( 0.785 0.882 -0.907) 1.489 2.177 ( -4.129 2.335 3.097) 5.665 2.635 ( 3.955 0.537 -8.461) 9.355 2.710 ( 2.422 2.753 -8.611) 9.359 2.814 ( 0.412 -4.525 3.864) 5.964 2.950 ( 0.539 -9.737 -1.300) 9.838 3.257 ( -6.093 10.035 7.403) 13.879 3.472 ( 8.600 0.915 -0.221) 8.651 3.596 ( -3.418 4.724 -0.616) 5.863 3.929 ( -1.442 3.310 -3.666) 5.145 4.211 ( -2.865 -4.679 5.148) 7.523 4.264 ( 3.881 1.063 -9.042) 9.897 4.477 ( 0.559 -0.938 -2.022) 2.298 4.672 ( -3.887 -6.420 5.307) 9.192 4.834 ( 6.583 2.609 1.670) 7.275 5.205 ( -5.640 -0.971 8.163) 9.969 5.416 ( -1.596 0.422 2.202) 2.752 5.654 ( 0.620 2.569 1.600) 3.089 6.380 ( 8.161 -0.891 -17.315) 19.163 6.611 ( 0.006 -4.588 -3.302) 5.652 6.814 ( 4.947 -9.213 -9.448) 14.093 7.077 ( -2.391 -4.470 -5.585) 7.543 7.114 ( -6.612 2.392 -2.270) 7.389 7.488 ( 6.047 1.152 -2.743) 6.739 7.605 ( -2.392 1.228 -11.296) 11.611 7.820 ( 1.933 4.333 2.522) 5.373 7.839 ( -0.201 5.250 -0.670) 5.296 7.969 ( -0.196 -7.490 3.068) 8.097 8.340 ( -0.929 -2.017 11.305) 11.521 8.683 ( -1.196 8.619 -0.911) 8.749 8.835 ( -0.066 5.327 6.111) 8.107 10.218 ( -2.062 -1.315 5.229) 5.773 10.418 ( 1.136 -0.438 -4.684) 4.839 11.222 ( -2.038 -0.531 11.881) 12.066 12.144 ( -1.268 -2.964 6.059) 6.864 12.764 ( -2.536 1.724 7.376) 7.988 14.235 ( 4.097 -1.131 -7.685) 8.782 14.821 ( -2.819 -0.848 -4.459) 5.343 14.950 ( 2.345 1.569 -0.762) 2.922 ======================= Grid point 111 (38/251) ======================= q-point: (-0.40 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( -4.114 8.716 4.372) 10.583 1.525 ( -5.068 10.885 4.127) 12.696 1.723 ( 3.147 -4.023 0.320) 5.117 2.024 ( -2.170 1.858 -0.646) 2.928 2.161 ( 0.438 -1.670 1.425) 2.239 2.594 ( 4.332 9.190 -9.072) 13.621 2.674 ( 3.955 1.952 -4.402) 6.232 2.899 ( -0.584 -2.145 -1.341) 2.596 2.952 ( -6.119 7.084 -0.918) 9.406 3.132 ( 2.626 -1.843 9.151) 9.697 3.447 ( -2.762 1.628 6.272) 7.044 3.669 ( 5.598 -7.714 -8.249) 12.605 3.880 ( 1.239 0.861 -2.261) 2.718 4.244 ( 1.186 -2.697 -4.647) 5.502 4.367 ( -0.036 -7.975 -1.626) 8.139 4.495 ( -0.705 -2.735 -3.351) 4.383 4.792 ( -0.348 -5.741 3.330) 6.646 4.862 ( 6.004 -0.513 7.972) 9.993 5.181 ( -5.210 -0.182 3.270) 6.154 5.445 ( -0.360 -4.617 1.290) 4.808 5.635 ( -3.525 -0.950 6.818) 7.734 6.349 ( 5.639 5.208 -15.819) 17.583 6.736 ( 7.383 -3.297 7.496) 11.026 6.839 ( 0.239 11.995 -10.080) 15.669 7.016 ( -4.564 -1.173 -10.397) 11.415 7.143 ( 1.197 -3.501 1.375) 3.947 7.431 ( 4.749 5.773 -1.318) 7.590 7.613 ( -3.208 7.947 -1.811) 8.760 7.619 ( -3.220 -1.025 -8.915) 9.534 7.852 ( -5.996 -5.546 0.267) 8.172 8.099 ( -2.469 -5.466 0.439) 6.014 8.299 ( -4.474 5.871 3.996) 8.394 8.628 ( 1.260 -3.804 2.273) 4.607 8.912 ( 1.699 -12.001 1.423) 12.204 10.175 ( -2.485 4.210 5.379) 7.269 10.422 ( 0.920 0.229 -3.776) 3.893 11.318 ( -1.579 -8.361 10.820) 13.765 12.194 ( 0.089 -1.546 6.519) 6.701 12.742 ( 0.045 0.845 9.474) 9.512 14.262 ( 5.662 0.639 -7.790) 9.652 14.804 ( -2.915 -0.393 -3.280) 4.406 14.944 ( 2.458 1.272 -1.559) 3.177 ======================= Grid point 112 (39/251) ======================= q-point: (-0.30 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( -6.393 12.579 5.126) 15.013 1.261 ( -5.783 14.866 4.703) 16.630 1.757 ( -1.475 4.183 0.528) 4.467 1.960 ( 2.865 5.934 0.037) 6.590 2.218 ( 1.280 -2.310 1.978) 3.300 2.323 ( -4.620 11.659 -2.285) 12.748 2.663 ( 3.361 1.477 -5.469) 6.587 2.838 ( -0.362 2.231 1.549) 2.740 2.954 ( 2.724 -0.379 1.564) 3.164 3.200 ( 2.511 -1.353 6.311) 6.926 3.440 ( -3.218 -1.759 7.174) 8.057 3.807 ( 4.151 -5.097 -10.357) 12.266 3.934 ( 5.024 -4.306 -0.898) 6.678 4.322 ( 3.321 -4.917 -9.469) 11.175 4.458 ( 1.271 -2.136 -2.209) 3.325 4.585 ( -4.210 -9.235 -2.481) 10.448 4.810 ( 9.287 5.607 -2.276) 11.085 5.013 ( -2.327 -9.817 11.120) 15.015 5.152 ( -3.977 -0.449 -1.308) 4.211 5.562 ( -3.983 -9.126 -1.042) 10.012 5.669 ( -5.496 -5.301 13.684) 15.670 6.259 ( 3.194 8.906 -10.321) 14.001 6.441 ( -0.403 20.339 -9.414) 22.416 6.837 ( 0.019 0.466 0.477) 0.668 6.968 ( 2.125 4.878 -2.787) 6.007 7.218 ( 6.512 1.116 3.434) 7.446 7.363 ( -0.035 1.047 2.223) 2.458 7.499 ( -6.071 4.932 4.627) 9.088 7.541 ( -3.796 2.009 -7.284) 8.456 7.914 ( -6.530 -1.875 -2.613) 7.279 8.118 ( -0.800 -9.241 -8.406) 12.518 8.322 ( -2.858 -7.351 0.250) 7.891 8.694 ( -3.048 -4.184 3.984) 6.532 9.249 ( 6.835 -19.063 -3.485) 20.549 10.091 ( -3.271 3.007 7.536) 8.748 10.407 ( 1.398 1.585 -5.899) 6.267 11.490 ( -1.620 -9.564 8.255) 12.737 12.219 ( -0.137 -0.367 3.876) 3.896 12.784 ( 1.975 -2.176 18.617) 18.848 14.275 ( 7.599 2.085 -8.225) 11.391 14.769 ( -3.280 1.198 -2.859) 4.513 14.927 ( 1.759 2.440 -1.772) 3.491 ======================= Grid point 113 (40/251) ======================= q-point: (-0.20 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( -8.256 14.020 6.506) 17.523 0.927 ( -7.714 17.946 4.628) 20.075 1.421 ( -5.499 26.823 6.625) 28.171 1.925 ( 4.147 0.898 0.153) 4.246 2.212 ( -3.522 -3.422 4.529) 6.680 2.358 ( 5.691 -6.138 5.320) 9.918 2.655 ( 2.467 0.979 -3.541) 4.425 2.792 ( -0.525 3.041 1.616) 3.484 2.979 ( 5.241 1.713 5.655) 7.898 3.243 ( 0.050 -1.291 3.580) 3.806 3.467 ( -0.926 -1.620 4.201) 4.597 3.919 ( 2.509 -6.653 -2.084) 7.409 4.064 ( 6.402 -5.165 -3.729) 9.031 4.401 ( 3.831 -1.873 -9.009) 9.968 4.480 ( 1.267 0.639 -3.780) 4.037 4.691 ( -2.508 -5.720 -5.121) 8.077 4.773 ( 5.649 3.280 -5.114) 8.296 5.058 ( -9.741 0.597 0.387) 9.767 5.211 ( 2.707 -5.278 1.934) 6.240 5.666 ( -9.199 -7.061 -6.704) 13.395 5.716 ( -8.328 2.318 3.302) 9.254 5.942 ( -0.360 9.589 2.693) 9.967 6.358 ( 2.403 -2.960 -3.215) 4.987 6.694 ( -3.160 9.886 -11.988) 15.857 6.906 ( 5.473 7.770 7.596) 12.166 7.199 ( 0.295 2.936 8.465) 8.965 7.319 ( -5.777 4.093 -1.465) 7.229 7.393 ( 4.842 9.057 2.778) 10.640 7.536 ( -3.706 -9.624 0.804) 10.344 7.910 ( -2.632 -2.773 -1.788) 4.221 8.293 ( -0.758 -8.064 -5.640) 9.870 8.487 ( 1.645 -13.487 -1.058) 13.628 8.742 ( -4.658 -3.563 0.925) 5.937 9.573 ( 7.208 -9.545 -5.769) 13.279 10.084 ( -4.805 -5.329 9.176) 11.648 10.357 ( 1.932 4.420 -11.954) 12.890 11.640 ( -0.285 -6.522 4.548) 7.957 12.234 ( -1.384 -1.973 2.213) 3.272 12.937 ( 2.329 -9.055 32.153) 33.485 14.278 ( 8.768 3.035 -10.298) 13.862 14.701 ( -1.202 3.680 -0.691) 3.932 14.878 ( 0.753 3.662 -1.372) 3.982 ======================= Grid point 114 (41/251) ======================= q-point: (-0.10 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.526 ( -10.897 18.613 5.634) 22.292 0.544 ( -5.504 13.899 11.348) 18.769 0.945 ( -1.561 23.491 24.713) 34.132 1.955 ( 3.590 -0.085 1.021) 3.733 2.276 ( -2.442 -3.961 6.671) 8.134 2.554 ( 7.604 -6.853 7.833) 12.889 2.657 ( 1.622 0.796 1.458) 2.322 2.748 ( 1.342 0.916 -1.260) 2.056 2.993 ( 5.578 3.053 9.589) 11.506 3.251 ( -1.327 0.285 0.871) 1.613 3.490 ( -1.469 -1.252 2.714) 3.330 4.069 ( 1.513 -6.975 -0.934) 7.198 4.195 ( 4.419 -5.954 -0.184) 7.417 4.375 ( 2.018 6.925 -2.190) 7.538 4.468 ( -0.731 -3.156 -6.722) 7.461 4.722 ( -0.466 -0.368 -7.507) 7.530 4.793 ( 5.004 -1.301 -4.519) 6.867 4.911 ( -22.885 1.641 -10.353) 25.172 5.267 ( 8.183 2.716 -6.609) 10.864 5.423 ( -4.281 10.702 -8.846) 14.529 5.764 ( -12.612 -8.521 3.653) 15.653 5.982 ( -1.539 -4.684 4.995) 7.018 6.414 ( -0.135 -0.504 0.979) 1.110 6.501 ( -0.575 5.606 -7.542) 9.415 6.811 ( 3.065 6.052 4.774) 8.295 7.156 ( -7.486 0.801 7.120) 10.362 7.205 ( -0.777 4.201 0.890) 4.364 7.349 ( 7.776 2.472 6.706) 10.562 7.677 ( -0.357 -6.024 -5.420) 8.111 7.970 ( 1.918 -5.290 7.327) 9.238 8.371 ( 5.287 0.035 -0.454) 5.307 8.739 ( -0.463 -2.109 -4.714) 5.185 8.791 ( -2.096 -17.946 -0.047) 18.068 9.643 ( 0.788 2.900 -2.297) 3.782 10.162 ( -0.948 16.445 -16.241) 23.132 10.225 ( -2.044 -8.044 3.356) 8.953 11.723 ( 1.328 -1.806 1.219) 2.552 12.282 ( -1.888 -3.989 2.179) 4.922 13.314 ( -3.221 -27.408 35.974) 45.340 14.209 ( -8.674 6.134 -19.170) 21.917 14.722 ( 27.532 -0.195 13.628) 30.721 14.820 ( 1.729 2.890 0.418) 3.393 ======================= Grid point 116 (42/251) ======================= q-point: ( 0.10 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.648 ( 11.658 0.000 17.268) 20.835 0.690 ( 14.656 0.000 19.196) 24.151 1.033 ( 21.540 0.000 26.022) 33.780 1.995 ( -0.333 -0.000 3.923) 3.937 2.281 ( -3.402 -0.000 6.082) 6.969 2.529 ( -7.198 -0.000 -2.508) 7.622 2.763 ( 2.910 0.000 -0.994) 3.075 2.879 ( 0.978 0.000 8.291) 8.349 3.224 ( 6.239 0.000 13.215) 14.614 3.225 ( 0.075 0.000 -1.157) 1.159 3.422 ( -3.818 -0.000 5.377) 6.595 4.145 ( -4.460 -0.000 -0.830) 4.537 4.153 ( 3.911 0.000 -0.845) 4.001 4.336 ( -6.460 -0.000 5.286) 8.347 4.455 ( 3.637 0.000 2.453) 4.387 4.580 ( 5.602 0.000 -5.976) 8.192 4.650 ( -1.281 -0.000 -8.270) 8.369 5.142 ( 17.569 0.000 -18.415) 25.451 5.218 ( -2.610 -0.000 -4.084) 4.847 5.403 ( 8.417 0.000 -14.931) 17.140 5.602 ( -7.654 -0.000 7.087) 10.432 5.947 ( -4.828 -0.000 -1.439) 5.037 6.284 ( -10.060 -0.000 2.396) 10.341 6.452 ( 2.465 0.000 -4.608) 5.226 6.725 ( -5.587 -0.000 2.523) 6.131 6.993 ( -10.288 -0.000 6.561) 12.202 7.188 ( 7.250 0.000 -1.528) 7.409 7.383 ( -3.544 -0.000 10.417) 11.004 7.978 ( 10.966 0.000 1.482) 11.066 8.089 ( -1.910 -0.000 5.612) 5.928 8.470 ( 2.273 0.000 -3.964) 4.569 8.730 ( 2.054 0.000 -7.452) 7.730 9.129 ( 2.532 0.000 -7.411) 7.832 9.549 ( 0.254 0.000 -4.684) 4.691 9.939 ( 16.723 0.000 -9.969) 19.469 10.315 ( -1.105 -0.000 3.251) 3.434 11.744 ( -2.073 -0.000 2.664) 3.376 12.263 ( -4.117 -0.000 -1.155) 4.276 12.971 ( -45.684 -0.000 35.812) 58.048 13.860 ( 4.924 0.000 2.783) 5.657 14.760 ( -2.175 -0.000 -1.496) 2.640 15.481 ( -0.715 -0.000 -8.032) 8.063 ======================= Grid point 117 (43/251) ======================= q-point: ( 0.20 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.725 ( 6.981 -1.759 17.812) 19.212 0.930 ( 17.624 -7.427 11.694) 22.417 1.433 ( 19.050 -15.997 17.570) 30.455 2.016 ( -3.383 -1.452 5.220) 6.387 2.234 ( -1.498 3.056 3.584) 4.942 2.488 ( -6.977 -2.426 -1.856) 7.616 2.757 ( -0.245 2.346 -1.885) 3.020 2.843 ( -1.571 5.007 10.131) 11.409 3.174 ( -1.055 4.712 2.377) 5.382 3.284 ( -2.079 -2.946 6.262) 7.226 3.435 ( 0.540 -0.305 9.783) 9.803 3.968 ( -0.520 6.521 0.254) 6.547 4.237 ( -3.175 4.566 3.623) 6.638 4.444 ( 1.869 -11.974 -1.228) 12.181 4.484 ( 5.607 -0.703 -3.975) 6.909 4.573 ( 2.345 0.656 -3.660) 4.396 4.642 ( 0.446 -0.889 -9.055) 9.109 5.065 ( 12.076 11.124 -16.632) 23.371 5.284 ( -5.685 -2.590 -3.761) 7.292 5.400 ( 0.783 2.943 -6.306) 7.003 5.492 ( -0.150 4.514 1.049) 4.637 5.950 ( -0.505 -2.260 -0.052) 2.317 6.279 ( -5.884 -5.340 0.084) 7.946 6.464 ( -0.498 -0.699 -5.290) 5.359 6.742 ( -4.084 -6.759 -1.264) 7.997 7.020 ( -5.247 -8.009 6.928) 11.819 7.225 ( 6.168 2.049 -2.932) 7.130 7.362 ( -3.738 0.724 9.534) 10.266 8.006 ( 5.380 4.150 10.982) 12.914 8.096 ( 3.767 -0.312 -3.444) 5.114 8.471 ( 4.187 1.918 -1.806) 4.946 8.696 ( 1.214 4.672 -6.432) 8.042 8.894 ( 4.974 18.384 -2.073) 19.157 9.629 ( 0.007 -7.090 -2.269) 7.445 10.149 ( 3.374 0.826 -8.561) 9.239 10.268 ( 4.197 -1.695 -4.928) 6.691 11.732 ( -2.535 0.288 1.596) 3.010 12.177 ( -4.980 5.239 4.532) 8.531 12.757 ( -29.939 -3.321 30.137) 42.610 13.935 ( 4.365 -3.157 -0.031) 5.387 14.758 ( -2.852 -2.136 -2.163) 4.169 15.327 ( 0.590 10.808 -2.171) 11.040 ======================= Grid point 118 (44/251) ======================= q-point: ( 0.30 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.910 ( 5.924 -9.698 8.597) 14.249 1.212 ( 14.782 -7.316 8.049) 18.353 1.828 ( 5.873 -9.514 9.665) 14.779 1.998 ( -2.883 -2.381 5.675) 6.796 2.216 ( 3.853 0.082 1.530) 4.146 2.498 ( -4.837 -3.972 -2.468) 6.728 2.664 ( -1.729 5.885 1.245) 6.259 2.749 ( -3.221 4.921 6.849) 9.028 3.063 ( -2.988 5.983 1.490) 6.851 3.321 ( -6.054 -3.363 3.564) 7.789 3.471 ( 2.541 -0.961 12.215) 12.513 3.904 ( -0.163 1.576 -0.221) 1.600 4.133 ( -2.455 5.022 1.136) 5.704 4.432 ( 1.189 5.130 -2.593) 5.870 4.504 ( 1.068 3.637 -10.260) 10.938 4.572 ( 2.149 1.264 -2.956) 3.867 4.727 ( 6.455 5.006 -11.020) 13.717 4.969 ( 2.607 -0.337 -3.245) 4.176 5.188 ( -5.955 3.107 6.514) 9.357 5.409 ( -0.956 -3.888 -5.210) 6.570 5.496 ( 3.877 -4.600 -5.631) 8.240 5.982 ( 1.868 -0.272 1.334) 2.311 6.326 ( -2.328 -3.040 -4.363) 5.805 6.469 ( -7.251 -5.452 -3.110) 9.590 6.879 ( -0.985 -10.397 -7.472) 12.841 7.144 ( 1.788 -0.061 0.679) 1.914 7.248 ( 2.160 -7.778 2.945) 8.593 7.350 ( -0.097 0.684 6.960) 6.994 7.970 ( 2.171 5.109 6.334) 8.422 8.123 ( 8.161 3.207 -5.201) 10.195 8.449 ( 4.332 4.965 -0.741) 6.630 8.534 ( 1.336 12.391 -6.624) 14.114 8.698 ( 3.401 6.342 5.228) 8.895 9.770 ( 1.726 -6.899 -3.677) 8.006 9.931 ( -2.988 15.383 7.747) 17.481 10.374 ( 4.298 -3.083 -11.638) 12.783 11.664 ( -2.122 6.748 3.418) 7.856 12.060 ( -4.875 3.268 7.346) 9.403 12.706 ( -19.151 -6.353 18.558) 27.414 14.032 ( 4.446 -4.165 -3.082) 6.827 14.772 ( -3.395 -2.473 -3.707) 5.602 15.167 ( 1.686 7.970 -0.825) 8.189 ======================= Grid point 119 (45/251) ======================= q-point: ( 0.40 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( 4.252 -11.557 2.790) 12.627 1.429 ( 10.350 -4.532 5.618) 12.618 1.824 ( -7.174 1.606 4.260) 8.496 2.121 ( 1.028 -1.419 2.793) 3.298 2.267 ( 1.123 -1.749 0.414) 2.119 2.550 ( 0.423 -5.919 -9.631) 11.312 2.587 ( 2.792 2.791 5.983) 7.168 2.680 ( -5.362 -1.166 6.835) 8.766 2.935 ( -1.394 6.118 -1.226) 6.393 3.334 ( -5.330 -2.637 4.330) 7.356 3.534 ( 1.588 -0.660 10.888) 11.023 3.860 ( -1.867 3.149 -3.857) 5.318 4.039 ( -1.897 3.396 0.499) 3.921 4.280 ( 0.442 10.563 -7.588) 13.013 4.442 ( -0.915 1.073 -3.395) 3.676 4.512 ( 2.052 8.328 -4.430) 9.653 4.630 ( 4.974 3.794 -2.864) 6.880 4.935 ( 0.577 3.832 -0.708) 3.940 5.185 ( -2.176 -1.444 8.784) 9.164 5.414 ( -4.117 -0.401 2.752) 4.968 5.712 ( 6.384 -9.425 -9.459) 14.801 6.011 ( -0.933 -6.097 -6.463) 8.933 6.362 ( 1.313 -4.413 -10.091) 11.092 6.545 ( -5.333 -8.303 2.097) 10.089 7.027 ( 3.630 -5.610 -9.062) 11.260 7.089 ( -7.242 0.721 0.655) 7.307 7.365 ( 1.555 -1.002 4.360) 4.737 7.504 ( 10.147 -11.739 1.495) 15.589 7.884 ( 1.091 6.152 -1.470) 6.418 8.040 ( 4.801 10.293 -6.873) 13.275 8.284 ( -0.101 12.538 1.809) 12.668 8.417 ( 4.537 4.128 -2.078) 6.477 8.694 ( 1.598 -0.147 9.023) 9.165 9.544 ( -0.063 22.319 3.609) 22.609 9.970 ( -1.268 -9.924 4.950) 11.162 10.407 ( 2.479 -0.365 -8.564) 8.923 11.482 ( -2.757 11.521 8.798) 14.756 12.033 ( -2.710 -1.960 4.066) 5.264 12.717 ( -12.701 -5.157 12.332) 18.439 14.135 ( 4.914 -3.939 -4.816) 7.928 14.775 ( -3.449 -1.864 -5.091) 6.425 15.061 ( 1.172 5.195 -0.799) 5.385 ======================= Grid point 120 (46/251) ======================= q-point: ( 0.50 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.364 ( 1.399 -8.053 1.148) 8.254 1.563 ( 6.242 -3.266 3.093) 7.694 1.758 ( -4.960 1.888 3.700) 6.469 2.067 ( -4.524 3.014 -1.178) 5.562 2.237 ( -0.357 4.426 2.197) 4.954 2.617 ( 1.430 -2.639 -2.134) 3.683 2.670 ( 0.905 -6.796 -8.902) 11.236 2.747 ( -1.203 -5.661 6.272) 8.534 2.854 ( 3.820 1.533 -0.652) 4.167 3.332 ( -4.860 0.644 6.754) 8.346 3.547 ( 3.741 1.601 2.423) 4.736 3.733 ( -1.111 9.332 -3.564) 10.051 3.973 ( -2.244 3.605 -1.978) 4.684 4.122 ( -3.926 1.257 -3.193) 5.215 4.352 ( -0.669 7.800 -1.860) 8.047 4.466 ( 1.523 -2.893 1.237) 3.495 4.617 ( 2.733 1.588 -1.364) 3.443 4.902 ( 2.437 1.141 0.216) 2.699 5.198 ( 0.360 0.932 8.240) 8.300 5.395 ( -3.574 -0.536 3.913) 5.327 5.735 ( -0.896 4.246 0.169) 4.343 6.216 ( -0.531 -15.422 -23.066) 27.751 6.478 ( 4.537 -7.690 -8.381) 12.246 6.679 ( 1.845 -7.895 0.589) 8.130 7.009 ( -6.911 0.446 2.405) 7.331 7.120 ( 4.915 -1.845 -7.523) 9.174 7.433 ( 1.657 -4.395 -0.877) 4.778 7.703 ( 5.387 3.591 -11.868) 13.519 7.827 ( 1.929 -1.957 1.834) 3.304 7.890 ( 3.213 4.062 -3.353) 6.170 8.082 ( -0.727 10.862 8.108) 13.574 8.368 ( 1.434 4.276 3.826) 5.914 8.710 ( -2.272 0.074 5.116) 5.598 9.146 ( -0.789 22.330 5.667) 23.051 10.130 ( -1.521 -7.472 5.154) 9.204 10.411 ( 1.480 -0.153 -6.576) 6.742 11.296 ( -2.600 7.935 11.238) 14.000 12.085 ( -0.219 -3.897 4.333) 5.832 12.726 ( -8.285 -2.945 8.530) 12.250 14.224 ( 5.204 -2.621 -6.290) 8.574 14.771 ( -2.678 -1.504 -4.418) 5.380 14.997 ( 0.952 2.757 -1.356) 3.216 ======================= Grid point 121 (47/251) ======================= q-point: (-0.40 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( -2.579 1.483 3.461) 4.564 1.655 ( -0.729 5.041 1.574) 5.331 1.683 ( 2.542 -2.753 2.402) 4.451 1.997 ( -5.723 -0.090 -0.634) 5.759 2.179 ( 2.383 2.359 1.972) 3.891 2.687 ( -1.468 -1.042 -2.961) 3.466 2.693 ( 6.065 -1.232 -9.923) 11.695 2.836 ( 0.540 -4.067 2.033) 4.579 2.953 ( 0.754 -4.939 -3.257) 5.964 3.211 ( -3.016 10.018 7.611) 12.938 3.537 ( -3.082 6.541 2.323) 7.594 3.604 ( 7.353 -1.998 -4.615) 8.908 3.899 ( -0.589 1.686 -1.569) 2.377 4.160 ( -5.134 -7.563 2.746) 9.544 4.242 ( -1.524 2.129 -6.282) 6.806 4.527 ( 4.820 1.024 -0.405) 4.945 4.639 ( -2.414 -5.585 4.450) 7.538 4.929 ( 2.017 -1.770 1.919) 3.299 5.179 ( 1.450 3.587 6.178) 7.289 5.399 ( -1.540 -1.604 2.453) 3.311 5.647 ( -3.832 3.310 5.379) 7.388 6.358 ( -0.129 -6.040 -24.895) 25.618 6.669 ( 8.444 -8.576 -2.883) 12.375 6.816 ( 0.557 -5.610 -9.069) 10.678 6.969 ( -6.925 -1.783 -0.970) 7.216 7.174 ( 11.541 2.752 -3.852) 12.474 7.505 ( -1.815 -2.423 -11.831) 12.212 7.569 ( 2.584 4.495 -3.650) 6.341 7.807 ( -3.429 7.167 2.534) 8.340 7.863 ( 1.276 5.887 4.244) 7.369 7.956 ( -2.467 1.201 1.761) 3.260 8.388 ( 1.313 -2.807 11.169) 11.591 8.641 ( -2.852 6.133 -3.302) 7.526 8.848 ( -1.498 6.570 6.883) 9.632 10.202 ( -2.087 -0.805 5.330) 5.780 10.417 ( 0.880 -0.533 -4.596) 4.710 11.234 ( -2.035 -1.050 11.378) 11.606 12.166 ( 0.895 -3.286 6.151) 7.031 12.730 ( -4.594 -1.941 7.008) 8.601 14.284 ( 5.074 -1.137 -8.493) 9.959 14.773 ( -1.375 -1.013 -1.769) 2.459 14.970 ( 0.910 0.914 -2.256) 2.599 ======================= Grid point 122 (48/251) ======================= q-point: (-0.30 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( -4.721 10.145 4.776) 12.166 1.478 ( -3.166 11.842 3.966) 12.883 1.778 ( 4.368 -1.594 -0.706) 4.703 1.980 ( -3.150 -2.011 1.619) 4.072 2.203 ( 3.295 -1.714 2.873) 4.696 2.589 ( -2.148 13.555 -5.261) 14.698 2.722 ( 5.455 5.726 -11.490) 13.948 2.863 ( -0.416 1.106 -0.056) 1.183 2.909 ( -1.202 -3.727 -1.951) 4.375 3.194 ( 0.607 -4.262 10.659) 11.496 3.445 ( -1.655 3.611 9.976) 10.737 3.725 ( 5.983 -5.949 -10.744) 13.661 3.908 ( 2.479 -1.991 0.755) 3.268 4.228 ( -0.405 -4.021 -6.155) 7.363 4.306 ( -4.679 -11.378 -2.062) 12.475 4.516 ( 2.742 2.099 -2.653) 4.355 4.782 ( -2.292 -10.250 7.112) 12.684 4.986 ( 0.183 -2.429 2.897) 3.785 5.121 ( 2.649 5.466 1.913) 6.368 5.439 ( -1.398 -3.716 1.194) 4.146 5.596 ( -5.790 -0.610 11.593) 12.973 6.370 ( 5.343 1.899 -19.173) 19.994 6.742 ( -3.773 10.726 -17.894) 21.201 6.825 ( -3.296 0.049 -1.093) 3.473 6.969 ( 6.386 -2.551 -2.237) 7.232 7.211 ( 7.296 -3.547 -5.252) 9.664 7.444 ( -3.521 7.035 2.047) 8.129 7.560 ( 0.130 2.618 -9.531) 9.885 7.625 ( 2.129 8.748 4.942) 10.271 7.775 ( -4.115 -3.034 5.315) 7.375 8.041 ( -4.313 -8.538 0.554) 9.582 8.249 ( -2.729 10.379 1.279) 10.807 8.647 ( 0.411 -1.792 2.029) 2.738 8.959 ( 3.050 -16.289 3.246) 16.887 10.157 ( -2.349 4.372 5.815) 7.645 10.420 ( 0.660 0.090 -3.935) 3.991 11.327 ( -2.181 -8.102 10.099) 13.129 12.216 ( -0.523 -0.739 5.394) 5.470 12.765 ( -1.318 -3.127 10.659) 11.186 14.313 ( 3.963 -0.172 -11.479) 12.146 14.776 ( 0.641 0.249 0.996) 1.211 14.959 ( 0.355 0.813 -2.441) 2.597 ======================= Grid point 123 (49/251) ======================= q-point: (-0.20 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( -4.103 13.857 5.854) 15.592 1.203 ( -4.187 16.649 2.817) 17.397 1.767 ( 2.711 8.539 2.319) 9.255 2.002 ( 1.347 0.992 2.573) 3.069 2.220 ( -1.464 12.027 -0.333) 12.121 2.314 ( 3.209 -3.606 4.997) 6.948 2.679 ( 1.728 1.244 -7.558) 7.852 2.835 ( -1.960 2.387 3.619) 4.758 3.003 ( 3.472 -3.888 -1.103) 5.328 3.267 ( 2.310 0.456 8.897) 9.204 3.420 ( -3.272 -1.597 9.533) 10.205 3.843 ( 4.531 -4.691 -8.466) 10.687 4.004 ( 3.839 -5.406 -0.195) 6.633 4.334 ( 3.672 -7.612 -12.627) 15.194 4.444 ( -1.417 -4.371 -3.494) 5.772 4.519 ( -2.993 -5.608 -2.766) 6.933 4.933 ( 2.791 -0.191 2.186) 3.550 4.990 ( -8.186 -0.182 -1.316) 8.293 5.076 ( 3.304 -2.697 3.835) 5.736 5.504 ( -3.159 -5.122 -0.434) 6.033 5.624 ( -6.386 -4.248 12.767) 14.894 6.241 ( -0.980 18.231 -15.418) 23.896 6.417 ( 3.970 8.831 -11.737) 15.215 6.751 ( -4.853 3.208 -9.195) 10.880 7.062 ( 5.984 2.562 4.342) 7.824 7.279 ( -7.390 2.080 1.587) 7.839 7.289 ( -0.856 2.107 -2.265) 3.210 7.459 ( -1.800 3.230 4.307) 5.676 7.579 ( 7.898 4.115 -0.238) 8.909 7.824 ( -2.855 -3.853 1.117) 4.924 8.125 ( 4.610 -6.123 -3.919) 8.608 8.280 ( -2.272 -11.664 0.496) 11.893 8.662 ( -2.194 -1.413 1.850) 3.199 9.354 ( 7.404 -20.371 -1.921) 21.759 10.058 ( -4.467 4.429 7.980) 10.162 10.407 ( 1.396 1.408 -6.263) 6.569 11.492 ( -1.875 -9.805 8.342) 13.010 12.209 ( -2.831 0.379 2.461) 3.771 12.861 ( -0.825 -5.494 19.518) 20.293 14.301 ( -0.377 0.984 -15.297) 15.333 14.785 ( 5.653 1.431 3.769) 6.943 14.929 ( -0.556 2.138 -1.522) 2.683 ======================= Grid point 124 (50/251) ======================= q-point: (-0.10 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.787 ( -0.110 14.690 8.909) 17.181 0.844 ( -3.276 19.927 2.062) 20.299 1.467 ( 5.423 25.680 13.055) 29.313 1.996 ( 4.326 1.006 0.995) 4.552 2.176 ( -3.128 -4.801 4.345) 7.191 2.492 ( 6.329 -8.431 11.354) 15.494 2.667 ( 0.558 -0.073 -3.436) 3.481 2.774 ( -2.047 2.552 1.889) 3.778 3.073 ( 3.487 -0.758 5.214) 6.318 3.261 ( 0.385 2.062 6.492) 6.822 3.462 ( -2.122 -2.525 5.421) 6.346 3.942 ( 0.643 -5.427 -1.990) 5.816 4.133 ( 3.053 -5.651 -1.795) 6.669 4.414 ( 2.053 -0.259 -8.521) 8.769 4.501 ( 4.804 -2.832 -10.131) 11.564 4.620 ( -3.070 -6.711 -5.796) 9.384 4.825 ( -8.255 4.849 -1.109) 9.638 4.877 ( 1.505 8.007 -7.817) 11.291 5.257 ( 2.122 -9.484 1.340) 9.811 5.530 ( -4.914 1.548 -7.081) 8.757 5.591 ( -8.271 2.507 1.220) 8.728 5.945 ( -0.904 4.385 3.403) 5.624 6.377 ( 1.632 0.518 -4.151) 4.490 6.615 ( -0.525 6.967 -13.120) 14.864 6.960 ( -1.297 9.041 5.326) 10.573 7.183 ( -3.487 5.107 9.231) 11.111 7.223 ( -5.441 0.704 -3.359) 6.433 7.442 ( -3.163 0.811 -1.317) 3.521 7.623 ( 13.147 -2.347 5.008) 14.262 7.919 ( 4.074 -4.749 2.873) 6.885 8.295 ( 3.371 -8.268 -3.286) 9.514 8.515 ( 2.135 -14.232 -0.785) 14.413 8.681 ( -2.990 -2.845 -0.691) 4.185 9.667 ( 7.042 -4.651 -5.763) 10.220 10.028 ( -6.490 -7.755 9.818) 14.095 10.352 ( 2.867 5.889 -12.277) 13.915 11.655 ( -0.049 -7.361 5.163) 8.991 12.195 ( -4.603 -2.355 2.600) 5.788 13.012 ( -7.090 -9.893 28.899) 31.357 14.187 ( -8.975 5.122 -17.205) 20.069 14.850 ( 5.438 1.202 -1.456) 5.756 14.897 ( 9.194 -1.216 7.711) 12.061 ======================= Grid point 127 (51/251) ======================= q-point: ( 0.20 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.837 ( 5.195 0.000 21.207) 21.834 0.982 ( 13.854 0.000 16.499) 21.544 1.510 ( 27.293 0.000 12.930) 30.201 1.976 ( -5.157 -0.000 7.335) 8.967 2.244 ( -3.699 -0.000 5.394) 6.540 2.410 ( -5.333 -0.000 -6.113) 8.112 2.779 ( -0.088 -0.000 -0.635) 0.641 2.869 ( -6.590 -0.000 9.930) 11.918 3.197 ( -9.915 -0.000 4.424) 10.857 3.234 ( 1.673 0.000 -1.499) 2.247 3.492 ( 5.150 0.000 12.583) 13.596 4.104 ( -3.632 -0.000 -1.621) 3.977 4.225 ( 5.149 0.000 0.907) 5.228 4.275 ( -2.491 -0.000 5.920) 6.422 4.530 ( 3.416 0.000 3.496) 4.888 4.598 ( 0.775 0.000 -11.413) 11.439 4.657 ( 6.602 0.000 -6.112) 8.997 5.146 ( -3.568 -0.000 -5.197) 6.304 5.298 ( 9.497 0.000 -11.600) 14.992 5.443 ( 3.338 0.000 -16.875) 17.202 5.590 ( 1.982 0.000 8.729) 8.951 5.870 ( -1.878 -0.000 -8.741) 8.941 6.158 ( -7.450 -0.000 2.386) 7.823 6.471 ( -0.440 -0.000 0.798) 0.911 6.652 ( -2.631 -0.000 -0.389) 2.660 6.889 ( -6.517 -0.000 9.436) 11.468 7.297 ( 4.559 0.000 -2.929) 5.419 7.364 ( -1.321 -0.000 9.020) 9.116 8.082 ( -1.315 -0.000 7.039) 7.161 8.106 ( 4.893 0.000 4.164) 6.425 8.511 ( 4.282 0.000 -2.625) 5.022 8.745 ( 2.829 0.000 -5.473) 6.161 9.143 ( 2.564 0.000 -7.220) 7.661 9.532 ( 0.054 0.000 -5.049) 5.049 10.138 ( 14.693 0.000 -16.751) 22.282 10.305 ( -1.764 -0.000 3.840) 4.226 11.696 ( -5.580 -0.000 4.460) 7.144 12.186 ( -4.857 -0.000 -1.543) 5.096 12.555 ( -26.472 -0.000 35.106) 43.968 13.959 ( 6.026 0.000 2.980) 6.723 14.711 ( -3.121 -0.000 -2.011) 3.713 15.401 ( -4.391 -0.000 -5.483) 7.025 ======================= Grid point 128 (52/251) ======================= q-point: ( 0.30 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.898 ( 6.384 -0.853 17.984) 19.102 1.204 ( 11.849 -7.839 12.712) 19.064 1.785 ( 17.149 -5.582 8.244) 19.830 1.945 ( -7.112 -0.681 6.373) 9.573 2.238 ( -0.105 -0.766 5.065) 5.123 2.384 ( -4.132 -2.607 -5.307) 7.213 2.734 ( -2.068 3.939 0.392) 4.466 2.806 ( -6.638 2.533 7.694) 10.472 3.129 ( -7.441 2.160 4.898) 9.166 3.227 ( -1.091 -0.511 -1.271) 1.752 3.523 ( 2.626 1.885 9.049) 9.609 3.968 ( -2.958 5.714 1.969) 6.729 4.193 ( -1.888 4.013 4.218) 6.120 4.427 ( -2.557 -4.594 -5.106) 7.329 4.589 ( 8.544 -2.095 -0.536) 8.813 4.629 ( 4.022 5.147 -4.967) 8.207 4.640 ( 4.425 -7.070 -4.206) 9.341 5.154 ( 2.096 -0.848 -5.246) 5.713 5.199 ( 1.729 13.294 -13.097) 18.741 5.379 ( -0.717 1.256 -1.816) 2.322 5.543 ( 4.452 6.316 3.908) 8.659 5.942 ( 0.968 -6.285 -7.301) 9.682 6.179 ( -6.964 -6.766 0.010) 9.710 6.411 ( -5.686 3.205 2.263) 6.908 6.705 ( 1.523 -6.627 -4.374) 8.085 7.011 ( 0.173 -13.165 8.506) 15.674 7.259 ( -1.342 4.209 0.670) 4.468 7.378 ( 1.367 0.606 4.694) 4.926 8.058 ( 0.139 3.342 4.139) 5.322 8.173 ( 4.739 -2.185 3.429) 6.245 8.534 ( 4.281 1.171 -2.348) 5.021 8.704 ( 2.614 6.402 -5.037) 8.556 8.954 ( 4.051 15.955 -3.725) 16.877 9.622 ( 0.293 -8.073 -2.897) 8.582 10.164 ( 0.929 9.094 -1.317) 9.236 10.325 ( 6.541 -4.394 -10.078) 12.793 11.678 ( -4.853 -1.364 2.067) 5.448 12.121 ( -4.401 3.733 5.018) 7.647 12.465 ( -20.753 -4.679 25.157) 32.946 14.024 ( 5.837 -1.612 1.463) 6.230 14.700 ( -3.293 -1.772 -2.652) 4.585 15.297 ( -1.819 6.266 -4.564) 7.962 ======================= Grid point 129 (53/251) ======================= q-point: ( 0.40 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( 6.324 -6.683 10.544) 13.994 1.440 ( 9.949 -6.190 9.156) 14.870 1.806 ( -8.228 2.936 5.013) 10.073 2.053 ( 3.431 -6.279 2.340) 7.528 2.274 ( 1.929 -0.598 2.830) 3.477 2.421 ( -2.491 -5.382 -6.214) 8.590 2.661 ( 0.798 2.326 4.128) 4.805 2.700 ( -4.892 5.106 4.260) 8.255 3.026 ( -3.085 4.869 4.716) 7.448 3.239 ( -3.643 -2.685 -0.859) 4.606 3.534 ( 0.116 -0.821 8.675) 8.714 3.870 ( -5.552 2.392 -0.083) 6.046 4.104 ( -1.116 5.149 1.708) 5.539 4.405 ( -0.922 1.673 -5.529) 5.850 4.506 ( 2.092 8.586 -8.121) 12.002 4.632 ( 5.858 3.359 -2.724) 7.281 4.784 ( 4.255 4.498 -4.291) 7.533 4.989 ( 0.219 4.021 -2.891) 4.957 5.171 ( 2.608 -0.492 5.259) 5.891 5.402 ( 1.603 -0.995 -2.624) 3.232 5.535 ( 2.832 -5.221 -2.749) 6.545 5.987 ( -2.290 0.599 -0.036) 2.367 6.275 ( -1.833 -8.695 -6.498) 11.009 6.357 ( -5.568 -3.337 3.604) 7.425 6.861 ( 2.108 -9.440 -6.660) 11.744 7.151 ( -0.783 5.841 0.765) 5.942 7.311 ( 3.259 -13.202 4.922) 14.461 7.390 ( 1.464 -2.524 5.084) 5.862 7.983 ( 0.113 5.428 -1.415) 5.610 8.215 ( 4.241 3.824 -3.096) 6.495 8.476 ( 0.606 7.169 -1.038) 7.269 8.561 ( 4.303 10.735 -5.092) 12.636 8.779 ( 3.904 6.040 5.811) 9.246 9.773 ( 0.234 -7.197 -3.460) 7.989 9.924 ( -1.482 15.104 7.274) 16.830 10.405 ( 4.656 -1.230 -10.542) 11.590 11.632 ( -2.945 4.901 2.036) 6.069 12.026 ( -3.287 3.053 8.909) 9.975 12.490 ( -15.830 -9.218 15.257) 23.840 14.111 ( 5.696 -2.932 -1.093) 6.499 14.704 ( -3.248 -2.097 -3.787) 5.412 15.167 ( -0.209 6.357 -3.404) 7.213 ======================= Grid point 130 (54/251) ======================= q-point: ( 0.50 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( 4.444 -8.227 4.691) 10.461 1.589 ( 6.812 -0.962 7.092) 9.880 1.723 ( -6.566 -1.107 1.962) 6.941 2.074 ( -7.178 2.469 1.315) 7.704 2.292 ( 2.772 0.538 -2.888) 4.039 2.509 ( -2.253 -7.335 -6.841) 10.280 2.611 ( -1.524 1.508 3.668) 4.249 2.696 ( 3.021 -2.357 6.736) 7.750 2.947 ( 3.173 4.269 1.588) 5.551 3.261 ( -4.514 -3.409 0.904) 5.728 3.572 ( -0.908 -1.305 6.936) 7.116 3.790 ( -5.860 1.430 -2.788) 6.645 4.012 ( -1.398 3.882 0.507) 4.157 4.250 ( -0.454 13.543 -9.035) 16.287 4.434 ( 1.217 -1.165 -2.806) 3.273 4.519 ( 0.650 10.532 -0.208) 10.554 4.709 ( 5.142 4.424 -2.906) 7.380 4.936 ( -1.327 2.397 0.518) 2.788 5.249 ( 7.088 -0.712 7.776) 10.546 5.387 ( -0.344 1.558 2.755) 3.183 5.692 ( -3.673 -7.196 -11.150) 13.770 5.966 ( -2.110 -4.920 -4.689) 7.117 6.403 ( 7.920 -5.449 -7.328) 12.088 6.491 ( -3.758 -13.151 6.077) 14.967 6.967 ( -5.252 -0.620 -3.190) 6.176 7.099 ( 5.558 -2.395 -2.827) 6.680 7.387 ( -0.533 -2.221 2.675) 3.517 7.657 ( 8.157 -12.670 0.849) 15.093 7.866 ( -0.738 6.025 -4.660) 7.652 8.062 ( 1.892 12.243 -9.463) 15.589 8.309 ( 1.349 13.325 7.372) 15.288 8.458 ( 2.046 2.540 -3.423) 4.728 8.742 ( -0.093 3.812 8.410) 9.234 9.535 ( -2.753 21.172 1.411) 21.397 9.978 ( -0.140 -9.165 5.842) 10.869 10.417 ( 2.622 0.587 -8.455) 8.872 11.468 ( -2.832 10.605 7.992) 13.578 12.030 ( 0.299 -2.863 4.562) 5.394 12.565 ( -11.611 -8.036 11.083) 17.950 14.204 ( 5.092 -3.051 -3.900) 7.103 14.712 ( -2.131 -2.104 -3.794) 4.833 15.062 ( -0.040 4.615 -2.708) 5.351 ======================= Grid point 131 (55/251) ======================= q-point: ( 0.60 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( 0.450 -4.461 2.781) 5.276 1.645 ( 1.052 -3.065 4.774) 5.770 1.730 ( 1.735 1.646 1.148) 2.653 1.953 ( -8.218 1.684 -0.697) 8.418 2.268 ( 3.252 3.965 -0.250) 5.135 2.595 ( -4.593 -6.198 -4.366) 8.864 2.642 ( 1.470 -3.844 -1.072) 4.253 2.781 ( 1.337 -3.653 5.025) 6.355 2.936 ( 5.718 1.194 -2.342) 6.293 3.285 ( -3.379 -1.204 4.319) 5.614 3.578 ( 0.326 1.130 -1.081) 1.597 3.695 ( -2.713 5.411 -4.122) 7.323 3.943 ( -0.649 4.164 -1.187) 4.378 4.049 ( -3.131 1.746 -2.039) 4.124 4.336 ( -1.022 9.097 1.391) 9.259 4.498 ( 1.903 -4.126 2.907) 5.394 4.664 ( 3.578 4.035 -3.436) 6.394 4.894 ( -3.315 0.198 0.095) 3.322 5.302 ( 6.799 2.693 7.959) 10.809 5.379 ( 1.776 0.327 3.231) 3.702 5.655 ( -8.770 1.182 -0.069) 8.850 6.106 ( -1.110 -11.850 -22.951) 25.854 6.594 ( 11.904 -8.259 -6.184) 15.753 6.712 ( 1.547 -9.798 2.930) 10.343 6.891 ( -7.390 0.390 0.674) 7.431 7.227 ( 8.570 -4.789 -3.649) 10.474 7.442 ( 0.509 -3.022 -3.240) 4.460 7.690 ( 0.156 7.671 -11.038) 13.442 7.830 ( -0.456 5.397 -5.138) 7.466 7.956 ( 4.761 -0.666 2.478) 5.409 8.119 ( 0.621 9.085 9.689) 13.296 8.394 ( -0.087 4.903 4.280) 6.509 8.668 ( -4.571 2.439 1.950) 5.536 9.127 ( -3.968 21.201 3.719) 21.887 10.132 ( -0.637 -6.589 6.011) 8.941 10.411 ( 1.490 0.145 -6.400) 6.573 11.295 ( -2.637 7.258 10.578) 13.096 12.119 ( 2.127 -4.302 4.550) 6.613 12.628 ( -7.512 -5.684 8.200) 12.489 14.275 ( 3.723 -2.033 -7.288) 8.433 14.736 ( -0.031 -2.141 -1.542) 2.639 14.995 ( -0.188 2.324 -2.843) 3.676 ======================= Grid point 132 (56/251) ======================= q-point: (-0.30 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( -2.349 3.316 4.232) 5.867 1.631 ( -2.077 7.055 2.639) 7.814 1.762 ( 4.978 -4.610 0.734) 6.825 1.915 ( -3.992 -1.396 0.270) 4.238 2.234 ( 3.001 2.039 2.390) 4.345 2.625 ( -2.860 -1.403 -4.863) 5.813 2.752 ( 3.073 -6.695 -7.421) 10.456 2.855 ( 1.524 -1.834 4.358) 4.968 2.943 ( 0.232 2.817 -7.712) 8.213 3.204 ( -1.942 7.058 7.417) 10.421 3.504 ( -2.368 2.973 2.289) 4.436 3.671 ( 3.986 -3.288 -7.267) 8.916 3.904 ( 1.058 -0.107 0.471) 1.163 4.098 ( -2.522 -7.495 0.570) 7.928 4.207 ( -1.263 3.951 0.813) 4.227 4.587 ( 2.545 1.145 -0.434) 2.824 4.636 ( 0.593 -3.896 2.102) 4.467 4.879 ( -6.763 -2.682 0.589) 7.299 5.311 ( 8.875 3.834 4.832) 10.808 5.390 ( 0.098 0.803 4.328) 4.403 5.573 ( -7.858 0.757 7.172) 10.666 6.258 ( 0.773 -10.553 -27.586) 29.545 6.762 ( 1.853 -1.083 -12.915) 13.093 6.795 ( 0.417 0.055 -1.555) 1.611 6.933 ( 5.500 -7.537 0.768) 9.362 7.354 ( 11.419 5.754 -4.472) 13.546 7.439 ( -1.264 -3.750 -9.321) 10.126 7.560 ( -1.680 3.162 -4.143) 5.475 7.783 ( -1.412 3.255 5.638) 6.662 7.879 ( -1.271 2.554 3.449) 4.476 7.921 ( -2.534 14.165 3.092) 14.718 8.423 ( -2.404 2.687 6.625) 7.542 8.602 ( 0.668 -2.375 -1.995) 3.173 8.839 ( -2.694 5.016 6.616) 8.729 10.198 ( -1.038 -0.044 6.006) 6.095 10.413 ( 0.871 -0.396 -4.651) 4.749 11.237 ( -2.759 -1.211 10.567) 10.988 12.200 ( 0.044 -2.091 5.755) 6.123 12.693 ( -2.893 -5.004 7.594) 9.543 14.305 ( 1.741 -0.753 -10.807) 10.972 14.778 ( 2.173 -1.591 1.473) 3.069 14.963 ( -0.517 0.639 -3.376) 3.474 ======================= Grid point 133 (57/251) ======================= q-point: (-0.20 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.264 ( -0.890 10.521 4.954) 11.664 1.443 ( -2.809 12.702 2.051) 13.169 1.860 ( 5.983 0.525 0.396) 6.019 1.939 ( -3.068 -5.288 2.897) 6.765 2.269 ( 2.694 -2.988 5.166) 6.547 2.529 ( -2.041 13.151 -4.086) 13.921 2.739 ( 3.491 8.917 -16.032) 18.674 2.841 ( -4.418 -0.916 3.376) 5.635 2.924 ( 3.257 -5.269 -2.948) 6.860 3.231 ( -0.316 -6.049 11.574) 13.063 3.456 ( -1.828 3.095 9.866) 10.500 3.776 ( 5.000 -5.421 -9.477) 12.008 3.949 ( 2.108 -3.174 1.494) 4.092 4.186 ( -1.322 -5.581 -7.435) 9.390 4.266 ( 0.327 -9.950 0.720) 9.982 4.527 ( -0.249 4.038 -3.580) 5.402 4.782 ( -0.161 -9.537 4.061) 10.366 4.869 ( -9.809 -2.553 -0.862) 10.172 5.296 ( 10.697 8.985 5.728) 15.099 5.397 ( -3.239 -3.986 3.369) 6.143 5.550 ( -5.069 -1.952 10.212) 11.567 6.353 ( 1.779 -1.887 -24.339) 24.477 6.641 ( -0.505 13.761 -16.398) 21.413 6.731 ( -3.675 0.607 -6.830) 7.780 7.100 ( 7.758 -1.862 -0.576) 7.999 7.294 ( 4.950 1.265 -9.525) 10.808 7.372 ( -3.995 10.278 1.617) 11.145 7.537 ( -1.976 0.903 -3.740) 4.325 7.637 ( -2.826 5.045 12.324) 13.613 7.795 ( 4.008 0.552 0.833) 4.131 8.001 ( -0.481 -11.963 0.938) 12.010 8.238 ( 0.880 8.437 1.845) 8.681 8.661 ( 0.318 1.043 2.769) 2.976 9.022 ( 2.984 -20.245 4.363) 20.924 10.144 ( -2.020 5.473 6.036) 8.394 10.415 ( 0.779 0.023 -4.594) 4.659 11.322 ( -2.978 -8.182 9.808) 13.115 12.204 ( -3.377 0.887 4.059) 5.354 12.791 ( -0.547 -5.273 11.913) 13.039 14.285 ( -1.144 1.016 -13.486) 13.572 14.832 ( 4.688 -1.169 2.848) 5.608 14.941 ( -1.246 0.664 -2.964) 3.283 ======================= Grid point 134 (58/251) ======================= q-point: (-0.10 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( 2.785 13.406 5.336) 14.696 1.158 ( -1.177 16.755 1.173) 16.837 1.848 ( 4.827 7.612 5.693) 10.660 2.012 ( -0.945 -2.912 3.279) 4.486 2.217 ( 1.541 13.792 -0.624) 13.892 2.405 ( 4.008 -7.257 10.109) 13.074 2.662 ( 0.334 1.067 -11.169) 11.224 2.801 ( -4.245 1.955 5.075) 6.899 3.029 ( -0.025 -5.136 -2.862) 5.880 3.343 ( 2.901 -0.659 11.881) 12.248 3.406 ( -3.029 0.626 10.041) 10.506 3.880 ( 3.325 -3.539 -6.682) 8.260 4.044 ( 1.219 -5.467 1.119) 5.712 4.335 ( 1.682 -12.268 -12.672) 17.718 4.430 ( 2.123 -1.120 -5.152) 5.684 4.465 ( -1.420 -5.285 -4.329) 6.977 4.790 ( -11.147 1.612 -2.582) 11.555 4.958 ( -0.866 -8.226 0.496) 8.286 5.213 ( 5.339 6.888 7.544) 11.526 5.465 ( 0.698 -2.924 -0.770) 3.103 5.568 ( -5.331 -1.224 6.292) 8.337 6.140 ( -3.213 16.639 -15.546) 22.997 6.441 ( 2.000 5.335 -10.539) 11.980 6.677 ( 0.003 2.868 -9.950) 10.355 7.132 ( -6.957 5.456 -5.792) 10.570 7.156 ( 4.316 4.275 0.058) 6.075 7.279 ( -1.673 3.774 9.192) 10.076 7.425 ( -4.591 3.501 -1.937) 6.090 7.696 ( 6.290 -2.875 6.560) 9.533 7.876 ( 7.728 -4.744 -1.951) 9.275 8.217 ( 7.350 -4.892 -0.215) 8.831 8.266 ( 0.258 -13.037 0.406) 13.046 8.642 ( -1.219 0.431 2.329) 2.664 9.452 ( 5.420 -21.994 -0.043) 22.652 10.015 ( -4.433 6.981 7.412) 11.105 10.405 ( 1.480 1.182 -7.172) 7.418 11.492 ( -2.122 -10.719 8.816) 14.040 12.152 ( -5.102 1.100 2.284) 5.697 12.894 ( -4.308 -4.662 18.563) 19.618 14.193 ( -4.349 4.319 -14.103) 15.377 14.888 ( 0.766 1.118 -4.484) 4.685 14.931 ( 4.913 -2.259 5.401) 7.643 ======================= Grid point 138 (59/251) ======================= q-point: ( 0.30 0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( 2.114 0.000 21.733) 21.835 1.223 ( 9.560 0.000 13.179) 16.281 1.889 ( -8.930 -0.000 8.631) 12.419 1.894 ( 15.716 0.000 1.179) 15.760 2.230 ( 0.357 0.000 8.324) 8.332 2.332 ( -1.683 -0.000 -7.178) 7.373 2.762 ( -10.690 -0.000 8.654) 13.754 2.769 ( -0.893 -0.000 0.769) 1.178 3.071 ( -5.974 -0.000 2.953) 6.664 3.259 ( 1.865 0.000 -1.009) 2.121 3.568 ( 0.038 0.000 2.873) 2.873 3.971 ( -12.237 -0.000 0.437) 12.245 4.312 ( 5.032 0.000 0.691) 5.080 4.330 ( 4.332 0.000 12.123) 12.874 4.493 ( -3.030 -0.000 -8.119) 8.666 4.685 ( 8.986 0.000 -1.271) 9.075 4.734 ( 5.953 0.000 -5.824) 8.328 5.096 ( -0.926 -0.000 -2.218) 2.403 5.370 ( 2.387 0.000 2.500) 3.457 5.395 ( -0.111 -0.000 -19.510) 19.510 5.684 ( 4.876 0.000 8.322) 9.645 5.831 ( 2.977 0.000 -18.456) 18.694 6.056 ( -6.949 -0.000 2.291) 7.317 6.422 ( -6.888 -0.000 8.325) 10.805 6.675 ( 5.699 0.000 -3.222) 6.546 6.865 ( -1.579 -0.000 11.935) 12.039 7.281 ( -3.839 -0.000 4.545) 5.950 7.401 ( 0.141 0.000 0.686) 0.700 8.118 ( 3.094 0.000 5.880) 6.644 8.173 ( 2.064 0.000 3.238) 3.839 8.568 ( 4.064 0.000 -3.757) 5.534 8.776 ( 3.038 0.000 -3.051) 4.306 9.156 ( 2.486 0.000 -7.247) 7.661 9.515 ( 0.192 0.000 -5.903) 5.907 10.286 ( 11.947 0.000 -14.810) 19.028 10.291 ( -1.873 -0.000 4.693) 5.053 11.614 ( -6.897 -0.000 5.859) 9.050 12.108 ( -4.323 -0.000 -1.153) 4.474 12.345 ( -16.362 -0.000 27.936) 32.375 14.056 ( 4.773 0.000 2.172) 5.244 14.656 ( -2.663 -0.000 -2.122) 3.405 15.323 ( -2.620 -0.000 -6.855) 7.339 ======================= Grid point 139 (60/251) ======================= q-point: ( 0.40 0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( 2.051 -2.180 18.070) 18.317 1.383 ( 5.035 -7.505 10.272) 13.682 1.814 ( -7.890 2.676 7.676) 11.328 2.003 ( 4.920 -3.184 -3.708) 6.935 2.270 ( 0.456 -0.641 8.766) 8.802 2.332 ( 0.119 -2.424 -6.693) 7.119 2.687 ( -6.522 0.520 6.722) 9.381 2.742 ( -2.039 2.646 1.715) 3.755 3.049 ( -2.187 0.690 2.492) 3.386 3.237 ( 1.882 2.467 -0.576) 3.156 3.546 ( -1.981 0.985 1.133) 2.486 3.847 ( -11.876 2.002 0.628) 12.060 4.231 ( 1.782 8.684 5.132) 10.244 4.367 ( -0.479 -2.127 -5.497) 5.913 4.637 ( 1.479 -1.523 -5.127) 5.549 4.726 ( 8.278 0.268 -1.643) 8.444 4.740 ( 6.272 -2.683 2.442) 7.246 5.080 ( -6.552 4.370 -4.861) 9.256 5.269 ( 10.600 6.037 -11.159) 16.533 5.371 ( -0.693 0.111 2.605) 2.698 5.637 ( 3.983 7.743 8.446) 12.131 5.927 ( 2.080 -7.003 -13.107) 15.005 6.071 ( -6.564 -5.619 1.069) 8.706 6.323 ( -6.822 2.566 6.352) 9.668 6.759 ( 6.706 -4.447 -3.236) 8.673 7.067 ( 1.836 -16.085 10.330) 19.204 7.235 ( -2.016 2.967 3.534) 5.036 7.375 ( -3.761 0.896 2.417) 4.560 8.090 ( 2.837 5.321 0.741) 6.076 8.231 ( 1.113 -2.379 1.859) 3.218 8.572 ( 2.002 2.826 -4.715) 5.850 8.746 ( 4.257 5.419 -1.465) 7.045 8.993 ( 2.786 13.628 -4.441) 14.602 9.616 ( 0.409 -8.873 -3.744) 9.639 10.169 ( -0.624 11.030 2.882) 11.418 10.395 ( 7.062 -2.722 -10.775) 13.167 11.610 ( -4.510 -2.961 2.671) 6.020 12.077 ( -3.342 1.568 4.605) 5.902 12.282 ( -13.824 -2.701 21.512) 25.713 14.108 ( 3.938 -1.782 0.728) 4.383 14.646 ( -2.093 -1.241 -2.363) 3.392 15.251 ( -1.303 4.372 -6.672) 8.082 ======================= Grid point 140 (61/251) ======================= q-point: ( 0.50 0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( 1.750 -6.385 11.363) 13.151 1.563 ( 0.332 -8.241 4.962) 9.626 1.711 ( -3.742 4.659 7.715) 9.758 2.048 ( -3.527 -0.248 -1.886) 4.007 2.278 ( -1.501 -2.101 0.153) 2.587 2.391 ( 1.293 -3.806 -5.952) 7.182 2.648 ( -3.132 2.760 1.342) 4.385 2.694 ( -0.863 -0.344 6.613) 6.678 3.024 ( 1.488 1.474 3.463) 4.047 3.221 ( 1.464 1.217 -0.916) 2.113 3.538 ( -2.017 -1.586 3.969) 4.727 3.736 ( -10.102 0.522 -1.011) 10.166 4.096 ( -1.153 6.511 -0.268) 6.618 4.399 ( 2.380 -0.666 -2.652) 3.625 4.494 ( 0.315 11.859 -9.634) 15.282 4.699 ( 3.768 7.236 -4.451) 9.293 4.827 ( 2.098 5.553 -1.500) 6.122 4.947 ( -3.505 -0.320 0.789) 3.607 5.307 ( 8.894 -0.931 5.885) 10.705 5.428 ( 4.861 -2.504 -6.675) 8.629 5.573 ( 2.078 2.471 5.225) 6.142 5.927 ( -4.707 2.203 2.994) 5.998 6.201 ( -4.941 -14.378 -1.953) 15.328 6.348 ( 2.343 -5.900 -1.008) 6.428 6.894 ( 4.380 -4.917 -3.998) 7.704 7.147 ( 0.003 3.996 1.507) 4.270 7.324 ( -4.306 -3.323 4.349) 6.964 7.449 ( 3.645 -15.650 6.573) 17.361 7.987 ( 1.444 7.842 -3.579) 8.740 8.229 ( 0.533 4.544 -6.576) 8.011 8.476 ( -0.069 4.838 -3.174) 5.787 8.612 ( 3.121 13.719 -0.101) 14.069 8.848 ( 2.201 5.118 4.803) 7.356 9.739 ( -2.893 -1.372 -5.794) 6.620 9.943 ( 0.486 9.814 8.417) 12.938 10.437 ( 3.977 0.450 -9.827) 10.611 11.598 ( -1.951 3.662 1.739) 4.499 12.024 ( -1.107 1.447 8.959) 9.142 12.335 ( -10.798 -9.244 14.537) 20.331 14.179 ( 3.177 -2.954 -1.910) 4.741 14.657 ( -0.866 -1.900 -2.466) 3.231 15.143 ( -0.717 5.346 -5.362) 7.606 ======================= Grid point 141 (62/251) ======================= q-point: ( 0.60 0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.304 ( 0.449 -6.786 6.053) 9.104 1.619 ( -4.625 -0.367 3.192) 5.632 1.723 ( 4.751 -4.288 4.332) 7.729 1.945 ( -8.496 4.760 0.253) 9.742 2.340 ( 5.620 -0.610 -5.850) 8.135 2.429 ( -5.271 -4.804 -3.144) 7.794 2.615 ( 0.358 -0.607 2.416) 2.517 2.731 ( -1.945 -3.489 5.654) 6.923 3.025 ( 4.777 2.876 1.144) 5.692 3.221 ( -0.744 -1.986 -0.451) 2.169 3.564 ( -2.016 -1.655 3.462) 4.335 3.676 ( -6.091 -1.002 -1.916) 6.464 3.998 ( -0.829 3.540 -0.489) 3.669 4.206 ( -0.497 14.969 -10.290) 18.172 4.434 ( 0.064 0.122 -2.131) 2.135 4.551 ( 2.653 8.554 1.526) 9.085 4.754 ( 1.954 4.106 -3.488) 5.731 4.904 ( -2.129 2.940 2.093) 4.190 5.371 ( 1.398 1.215 2.868) 3.414 5.479 ( 11.456 1.969 5.643) 12.922 5.565 ( -6.060 -1.106 -4.009) 7.350 5.925 ( -0.232 -5.067 -5.629) 7.577 6.461 ( -2.578 -17.309 4.233) 18.005 6.521 ( 8.341 -8.868 -3.182) 12.583 6.898 ( -2.140 3.997 -1.550) 4.791 7.176 ( 4.902 -4.538 -2.282) 7.059 7.362 ( -3.755 -4.909 2.245) 6.575 7.747 ( 3.734 -7.535 -2.182) 8.688 7.857 ( 0.931 2.343 -1.683) 3.031 8.052 ( 1.768 11.861 -9.064) 15.032 8.360 ( 0.745 14.432 8.225) 16.628 8.457 ( -0.281 0.085 -4.230) 4.241 8.747 ( -2.394 8.671 6.222) 10.938 9.457 ( -6.912 19.563 -2.706) 20.924 10.013 ( 1.591 -7.342 7.233) 10.428 10.424 ( 2.103 1.229 -8.120) 8.478 11.456 ( -2.218 9.952 7.658) 12.752 12.072 ( 2.754 -3.707 4.289) 6.303 12.453 ( -7.671 -8.940 11.947) 16.778 14.244 ( 1.818 -2.657 -5.325) 6.222 14.696 ( 1.404 -2.595 -1.277) 3.215 15.042 ( -0.932 4.136 -4.227) 5.987 ======================= Grid point 142 (63/251) ======================= q-point: (-0.30 -0.70 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.397 ( -0.559 -2.632 4.118) 4.919 1.646 ( -1.648 -3.767 4.011) 5.744 1.786 ( -0.696 5.403 1.015) 5.541 1.849 ( -0.420 -4.513 -0.730) 4.591 2.313 ( 1.278 3.911 0.539) 4.149 2.518 ( -1.478 -6.951 -5.320) 8.877 2.666 ( 1.139 -3.698 -1.518) 4.157 2.810 ( -0.063 -5.518 6.015) 8.163 2.973 ( 0.497 4.747 -2.925) 5.598 3.269 ( -0.766 -1.998 2.216) 3.081 3.567 ( -0.869 3.639 -1.898) 4.195 3.624 ( -3.278 0.016 -4.934) 5.923 3.928 ( -0.580 3.006 -3.298) 4.500 4.037 ( 2.238 1.385 0.342) 2.654 4.326 ( -1.385 8.241 2.958) 8.865 4.553 ( 3.770 -2.664 2.392) 5.199 4.687 ( 0.572 3.860 -4.319) 5.820 4.835 ( -3.194 2.486 1.096) 4.193 5.352 ( 0.796 1.436 2.824) 3.266 5.476 ( -8.256 -0.092 2.301) 8.572 5.560 ( 8.017 3.271 6.290) 10.702 6.044 ( 3.708 -8.797 -18.988) 21.252 6.687 ( 1.661 -7.250 -10.661) 12.999 6.798 ( 0.316 -11.065 7.585) 13.419 6.819 ( 6.210 -0.688 0.625) 6.279 7.293 ( 0.649 -5.982 -4.449) 7.483 7.434 ( -0.614 -3.849 -0.714) 3.962 7.680 ( 4.095 6.956 -8.214) 11.517 7.801 ( -0.223 7.207 -7.050) 10.084 8.032 ( 2.938 2.446 4.666) 6.032 8.138 ( -2.395 9.784 5.046) 11.266 8.394 ( -2.318 4.373 5.870) 7.678 8.599 ( -3.595 2.688 -1.282) 4.668 9.053 ( -6.279 18.028 1.104) 19.122 10.156 ( 0.543 -5.427 6.851) 8.757 10.411 ( 1.450 0.301 -5.933) 6.115 11.291 ( -2.600 7.249 10.212) 12.790 12.166 ( 1.162 -3.179 4.793) 5.868 12.573 ( -2.844 -7.418 8.744) 11.814 14.276 ( 0.380 -1.437 -8.627) 8.754 14.762 ( 3.237 -2.688 0.652) 4.258 14.972 ( -1.195 2.037 -3.936) 4.590 ======================= Grid point 143 (64/251) ======================= q-point: (-0.20 0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( 0.310 3.554 4.003) 5.362 1.605 ( -2.198 7.186 1.215) 7.612 1.799 ( -1.968 -6.997 3.214) 7.948 1.914 ( 4.413 -0.493 -0.187) 4.444 2.269 ( -0.582 1.026 4.104) 4.270 2.589 ( 1.507 -1.337 -6.757) 7.051 2.738 ( -0.817 -4.340 -5.005) 6.675 2.891 ( -2.957 1.520 -4.994) 5.999 2.910 ( 2.310 0.225 0.179) 2.328 3.218 ( 1.940 5.430 4.891) 7.561 3.459 ( -5.057 -0.025 3.310) 6.044 3.684 ( 0.784 -5.923 -6.236) 8.636 3.927 ( 2.090 -1.605 -1.120) 2.864 4.105 ( 3.300 -4.498 0.132) 5.580 4.207 ( -0.247 3.635 3.947) 5.372 4.589 ( -1.672 3.799 -3.448) 5.397 4.672 ( 3.021 -4.870 1.812) 6.010 4.780 ( -5.225 0.292 0.657) 5.274 5.335 ( -4.561 0.710 6.444) 7.927 5.449 ( -2.911 -2.505 4.044) 5.577 5.550 ( 5.731 4.768 6.009) 9.575 6.209 ( 5.694 -8.903 -23.900) 26.132 6.701 ( -2.528 -0.049 -6.536) 7.008 6.788 ( 1.045 4.859 -9.858) 11.040 7.072 ( 8.474 -7.196 -0.093) 11.118 7.385 ( -0.981 -6.498 -7.534) 9.997 7.419 ( -4.056 5.147 -0.749) 6.596 7.567 ( 6.336 9.269 -6.348) 12.898 7.790 ( -0.121 -2.570 5.046) 5.664 7.878 ( -0.620 6.900 1.530) 7.095 7.890 ( -1.587 12.137 2.695) 12.534 8.377 ( -4.435 4.529 4.157) 7.580 8.641 ( 3.012 -9.052 1.427) 9.647 8.821 ( -2.189 2.152 5.611) 6.396 10.211 ( -0.425 1.087 6.394) 6.499 10.412 ( 1.183 -0.155 -4.833) 4.978 11.227 ( -3.261 -0.943 10.535) 11.069 12.196 ( -2.972 0.057 5.431) 6.192 12.705 ( 0.575 -6.451 8.302) 10.530 14.268 ( -0.707 0.282 -10.845) 10.872 14.836 ( 3.885 -2.261 1.741) 4.821 14.933 ( -1.527 0.603 -4.097) 4.414 ======================= Grid point 144 (65/251) ======================= q-point: (-0.10 0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.301 ( 2.898 9.205 3.788) 10.367 1.414 ( -0.777 12.564 0.497) 12.598 1.886 ( -4.153 -3.164 4.792) 7.087 1.976 ( 6.759 -2.434 0.453) 7.199 2.299 ( -1.732 -3.744 5.511) 6.884 2.525 ( 3.147 9.592 -2.438) 10.385 2.718 ( 0.895 7.865 -14.721) 16.714 2.789 ( -3.462 1.123 5.047) 6.223 2.914 ( -2.654 -4.949 -5.034) 7.542 3.297 ( 3.706 -5.451 10.566) 12.453 3.452 ( -2.974 0.013 9.069) 9.544 3.797 ( 1.105 -6.958 -7.043) 9.962 3.986 ( 2.039 -2.856 0.421) 3.535 4.165 ( 1.264 -4.037 -3.716) 5.630 4.298 ( 3.441 -9.003 -1.790) 9.803 4.486 ( -2.461 4.062 -4.064) 6.251 4.725 ( -7.933 0.671 -0.815) 8.003 4.807 ( 2.113 -7.160 0.755) 7.504 5.284 ( -7.807 0.863 10.224) 12.893 5.505 ( -4.887 -2.254 7.126) 8.930 5.537 ( 11.747 2.285 1.531) 12.065 6.280 ( 1.512 2.681 -22.713) 22.920 6.575 ( -0.986 12.158 -14.687) 19.092 6.692 ( 0.532 0.746 -7.051) 7.110 7.125 ( -3.608 3.878 -6.531) 8.410 7.280 ( -1.214 0.088 0.120) 1.223 7.397 ( 1.305 12.112 -1.599) 12.287 7.477 ( 1.745 1.032 -3.379) 3.941 7.689 ( 3.366 2.057 9.990) 10.741 7.850 ( 2.670 -3.512 -2.381) 5.013 8.029 ( 2.938 -12.259 1.104) 12.654 8.280 ( 2.600 3.113 3.240) 5.191 8.680 ( 0.510 2.882 4.407) 5.290 9.079 ( 2.016 -22.395 5.302) 23.102 10.138 ( -1.589 6.994 5.716) 9.171 10.413 ( 1.181 0.142 -5.481) 5.609 11.309 ( -3.333 -8.495 10.387) 13.826 12.150 ( -4.783 2.132 3.725) 6.426 12.821 ( -1.757 -4.369 11.683) 12.596 14.213 ( -1.299 2.863 -11.394) 11.820 14.890 ( -0.482 0.196 -5.270) 5.296 14.924 ( 2.414 -2.266 2.796) 4.334 ======================= Grid point 149 (66/251) ======================= q-point: ( 0.40 0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.045 ( -3.415 -0.000 21.403) 21.674 1.346 ( 0.645 0.000 7.133) 7.163 1.797 ( -5.884 -0.000 9.331) 11.031 1.985 ( 1.090 0.000 -6.921) 7.006 2.296 ( -0.134 -0.000 -5.911) 5.913 2.310 ( 2.525 0.000 9.001) 9.348 2.626 ( -9.262 -0.000 6.059) 11.068 2.758 ( -1.675 -0.000 3.863) 4.210 3.071 ( 4.359 0.000 -0.489) 4.386 3.281 ( 1.376 0.000 -0.390) 1.430 3.522 ( -3.847 -0.000 -5.094) 6.384 3.758 ( -14.206 -0.000 0.208) 14.207 4.326 ( -2.484 -0.000 -8.920) 9.259 4.458 ( 4.153 0.000 17.191) 17.686 4.482 ( 5.007 0.000 -0.375) 5.021 4.794 ( 4.856 0.000 -1.922) 5.223 4.799 ( 4.818 0.000 -4.755) 6.770 5.058 ( -4.852 -0.000 -5.280) 7.171 5.369 ( 8.008 0.000 -15.190) 17.172 5.396 ( -3.110 -0.000 14.622) 14.949 5.773 ( 2.177 0.000 7.158) 7.482 5.827 ( 6.767 0.000 -25.270) 26.160 5.968 ( -4.828 -0.000 1.959) 5.210 6.355 ( -5.826 -0.000 12.654) 13.931 6.783 ( 9.000 0.000 -1.811) 9.180 6.917 ( 1.637 0.000 14.835) 14.925 7.222 ( -7.459 -0.000 6.433) 9.850 7.374 ( -1.805 -0.000 0.725) 1.945 8.190 ( -1.021 -0.000 0.876) 1.345 8.194 ( 3.442 0.000 2.107) 4.036 8.600 ( 1.998 0.000 -5.520) 5.870 8.814 ( 2.662 0.000 -1.025) 2.853 9.167 ( 2.394 0.000 -7.502) 7.875 9.497 ( 0.461 0.000 -6.636) 6.651 10.279 ( -2.122 -0.000 5.479) 5.875 10.406 ( 9.452 0.000 -11.521) 14.902 11.540 ( -4.966 -0.000 6.615) 8.271 12.054 ( -1.994 -0.000 -0.098) 1.996 12.228 ( -10.854 -0.000 23.240) 25.650 14.114 ( 1.847 0.000 0.665) 1.963 14.621 ( -0.861 -0.000 -1.610) 1.826 15.267 ( -1.218 -0.000 -8.701) 8.786 ======================= Grid point 150 (67/251) ======================= q-point: ( 0.50 0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( -5.138 -3.860 17.536) 18.677 1.406 ( -5.043 -6.705 2.891) 8.874 1.765 ( -2.303 1.650 10.169) 10.556 2.002 ( -0.562 -2.277 -6.993) 7.375 2.269 ( -2.242 2.857 2.812) 4.593 2.336 ( 1.556 -2.648 -2.493) 3.955 2.605 ( -5.603 -2.390 3.657) 7.105 2.731 ( -1.310 2.377 4.357) 5.133 3.065 ( 0.371 2.388 -2.402) 3.407 3.275 ( 2.458 1.601 0.706) 3.017 3.505 ( -1.106 -1.167 -1.498) 2.197 3.654 ( -10.644 -0.028 -1.052) 10.696 4.207 ( -3.308 7.340 -5.383) 9.685 4.421 ( 5.278 1.459 4.765) 7.259 4.639 ( 1.021 2.332 -4.264) 4.967 4.809 ( 3.998 2.933 -5.816) 7.643 4.841 ( 3.180 -6.323 6.702) 9.748 4.929 ( -7.529 5.984 -10.919) 14.551 5.360 ( -3.193 2.672 8.322) 9.305 5.452 ( 15.481 -1.473 -4.178) 16.102 5.702 ( -0.598 3.998 9.992) 10.779 5.921 ( 4.068 -4.869 -16.828) 17.984 6.011 ( -1.348 -1.900 4.698) 5.243 6.260 ( -4.327 0.796 7.289) 8.514 6.876 ( 8.855 -2.429 -1.139) 9.253 7.108 ( -3.419 -8.897 9.805) 13.674 7.220 ( -2.726 -9.450 8.038) 12.702 7.327 ( -0.456 4.291 2.475) 4.975 8.127 ( 1.129 5.997 -0.974) 6.180 8.219 ( -2.586 -1.362 -1.893) 3.482 8.563 ( -0.175 4.482 -7.659) 8.876 8.809 ( 3.100 3.617 2.109) 5.210 9.008 ( 1.482 12.423 -5.289) 13.583 9.605 ( 0.204 -8.598 -4.955) 9.925 10.166 ( -1.448 10.825 4.804) 11.932 10.458 ( 5.594 -0.038 -10.075) 11.524 11.571 ( -1.617 -4.100 3.230) 5.464 12.058 ( -0.926 0.037 4.457) 4.552 12.186 ( -8.265 -1.412 20.699) 22.333 14.143 ( 0.507 -2.207 -0.816) 2.407 14.626 ( 0.416 -1.097 -1.371) 1.804 15.207 ( -0.899 3.671 -8.574) 9.370 ======================= Grid point 151 (68/251) ======================= q-point: (-0.40 -0.60 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( -5.150 -7.854 11.087) 14.531 1.492 ( -6.977 -7.710 -0.875) 10.436 1.749 ( 0.667 1.331 10.299) 10.406 1.970 ( -3.838 3.207 -3.246) 5.963 2.262 ( -0.088 -4.138 -1.208) 4.312 2.398 ( 2.131 -1.916 -6.429) 7.038 2.595 ( -3.884 -0.724 -1.240) 4.141 2.694 ( -0.858 1.030 7.496) 7.615 3.047 ( -2.211 -2.202 1.220) 3.350 3.245 ( 0.664 3.578 -0.175) 3.643 3.519 ( -4.073 -1.771 1.834) 4.805 3.621 ( 0.907 -1.172 -1.135) 1.867 4.059 ( -2.463 5.352 -3.944) 7.090 4.438 ( -0.851 5.447 -3.034) 6.293 4.460 ( 3.018 9.613 -5.591) 11.523 4.695 ( -1.205 6.655 -10.462) 12.458 4.816 ( -0.921 2.758 -3.532) 4.575 4.951 ( 1.511 0.350 8.463) 8.604 5.330 ( -3.346 -1.958 -3.335) 5.114 5.608 ( 14.094 -0.742 3.185) 14.469 5.644 ( 4.002 7.509 9.833) 13.003 5.895 ( -1.164 2.912 7.113) 7.774 6.128 ( -3.492 -15.503 -0.363) 15.896 6.388 ( 3.711 -10.821 -4.637) 12.344 6.954 ( 3.828 1.193 -0.834) 4.095 7.146 ( -2.809 -3.617 0.024) 4.579 7.264 ( -1.960 0.693 4.859) 5.285 7.525 ( 1.851 -16.626 8.492) 18.760 7.984 ( -0.614 8.923 -4.434) 9.983 8.205 ( -0.244 2.839 -6.155) 6.783 8.442 ( -1.749 3.939 -8.542) 9.568 8.645 ( 0.198 15.147 2.324) 15.325 8.882 ( 0.076 5.165 4.726) 7.001 9.644 ( -5.654 5.810 -7.027) 10.728 9.994 ( 1.970 4.462 7.796) 9.196 10.452 ( 2.326 1.660 -9.828) 10.235 11.589 ( -0.292 3.713 2.333) 4.395 12.059 ( 1.875 -0.674 7.350) 7.615 12.266 ( -5.189 -8.362 17.083) 19.715 14.190 ( -0.453 -3.136 -3.331) 4.597 14.665 ( 2.457 -2.352 -0.816) 3.498 15.105 ( -1.334 4.879 -7.115) 8.729 ======================= Grid point 152 (69/251) ======================= q-point: (-0.30 -0.60 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( -3.997 -8.219 6.437) 11.179 1.564 ( -3.953 -5.342 1.735) 6.868 1.759 ( -3.473 -0.749 3.781) 5.189 1.886 ( 3.024 2.938 -1.050) 4.345 2.332 ( -5.818 -2.494 -1.673) 6.547 2.420 ( 7.145 -1.940 -6.506) 9.856 2.600 ( -3.195 -3.214 -4.126) 6.129 2.727 ( 0.237 -3.408 9.369) 9.973 3.075 ( -0.022 1.601 3.512) 3.859 3.185 ( -4.470 -1.063 -1.472) 4.825 3.529 ( -3.320 -3.051 1.047) 4.629 3.657 ( 4.947 1.674 -1.648) 5.477 3.960 ( -2.991 3.178 -5.887) 7.328 4.178 ( 1.836 11.481 -7.434) 13.800 4.431 ( -0.361 4.096 1.587) 4.407 4.592 ( 3.088 2.839 -3.881) 5.715 4.743 ( -1.025 4.021 -4.450) 6.084 4.914 ( 1.160 5.492 6.810) 8.826 5.328 ( -5.315 -2.569 -6.360) 8.678 5.497 ( -1.094 8.780 11.072) 14.173 5.705 ( 8.614 2.943 5.054) 10.412 5.948 ( 7.457 -4.706 -4.709) 9.996 6.440 ( -1.512 -19.268 1.839) 19.415 6.611 ( 3.897 -11.125 -0.586) 11.803 6.898 ( 2.641 4.692 -0.262) 5.391 7.214 ( 0.484 -3.810 -5.581) 6.775 7.309 ( -3.153 -6.282 5.425) 8.879 7.774 ( 0.650 -2.494 -1.856) 3.176 7.848 ( -2.011 -1.064 -2.410) 3.314 8.060 ( 2.574 8.759 -6.290) 11.086 8.367 ( -2.921 15.272 2.338) 15.723 8.427 ( -1.343 -2.486 -4.258) 5.110 8.729 ( -2.310 12.269 7.155) 14.390 9.320 ( -7.799 18.555 -5.619) 20.896 10.067 ( 1.422 -5.820 7.120) 9.305 10.423 ( 1.376 0.992 -7.630) 7.816 11.457 ( -1.363 9.949 7.918) 12.788 12.131 ( 2.375 -2.931 3.885) 5.416 12.429 ( -0.961 -9.067 13.987) 16.697 14.227 ( -0.846 -2.502 -6.051) 6.602 14.741 ( 4.242 -3.056 -0.001) 5.228 15.002 ( -1.942 3.687 -5.525) 6.920 ======================= Grid point 153 (70/251) ======================= q-point: (-0.20 -0.60 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( -1.100 -4.305 4.377) 6.237 1.636 ( -1.479 -3.798 4.575) 6.127 1.705 ( -5.443 0.862 0.022) 5.511 1.932 ( 6.864 -1.474 -1.095) 7.105 2.283 ( -5.077 1.227 1.937) 5.570 2.536 ( 5.425 -4.626 -5.493) 9.000 2.638 ( -2.266 -5.167 -8.301) 10.037 2.837 ( 0.865 -4.689 7.213) 8.646 2.982 ( 2.300 6.798 0.536) 7.197 3.227 ( -6.893 -6.348 3.490) 10.000 3.543 ( -0.513 10.559 -7.564) 12.999 3.581 ( -0.389 -2.841 0.020) 2.867 3.906 ( -0.185 -1.217 -5.144) 5.289 4.109 ( 6.582 0.817 -0.978) 6.704 4.318 ( -0.972 7.026 3.887) 8.088 4.619 ( 2.836 0.267 -2.942) 4.095 4.652 ( -0.935 1.562 -2.219) 2.870 4.821 ( -0.656 5.919 4.601) 7.526 5.330 ( -8.355 -3.011 2.127) 9.132 5.387 ( 1.480 3.974 5.209) 6.717 5.680 ( 2.037 4.438 2.515) 5.492 6.113 ( 12.198 -6.043 -11.849) 18.048 6.646 ( -1.398 -4.354 -6.584) 8.016 6.792 ( 0.751 -4.346 0.290) 4.420 6.988 ( 9.064 -10.324 4.858) 14.572 7.237 ( -4.103 -2.917 -6.770) 8.437 7.409 ( -2.803 -4.050 2.069) 5.342 7.720 ( 0.813 0.218 -3.071) 3.184 7.776 ( 1.657 8.100 -10.857) 13.646 8.056 ( -3.907 14.029 -5.258) 15.483 8.090 ( -1.248 0.586 4.832) 5.025 8.374 ( -3.529 5.149 9.820) 11.636 8.569 ( 0.328 1.563 -1.063) 1.919 8.960 ( -5.029 13.338 -0.644) 14.269 10.185 ( -0.221 -4.684 6.424) 7.953 10.414 ( 1.487 0.130 -5.114) 5.328 11.291 ( -2.138 7.915 10.566) 13.374 12.181 ( -1.438 -0.917 5.674) 5.925 12.606 ( 2.407 -7.553 9.009) 12.000 14.241 ( -0.355 -1.046 -8.183) 8.257 14.827 ( 4.458 -2.567 0.414) 5.161 14.930 ( -2.203 1.671 -4.592) 5.360 ======================= Grid point 154 (71/251) ======================= q-point: (-0.10 0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( 1.535 2.223 3.278) 4.247 1.580 ( -0.734 6.788 -0.234) 6.831 1.762 ( -4.006 -6.929 4.881) 9.375 1.998 ( 5.334 -1.057 -0.331) 5.448 2.242 ( -4.547 -0.824 4.216) 6.255 2.614 ( 3.611 -0.687 -7.220) 8.102 2.708 ( 0.746 -3.431 -8.952) 9.616 2.821 ( -3.074 1.268 0.831) 3.428 2.941 ( 1.452 6.916 -1.227) 7.173 3.292 ( 2.089 -2.984 7.077) 7.960 3.391 ( -2.210 -0.156 0.988) 2.426 3.651 ( -2.553 -6.447 -2.845) 7.496 3.948 ( 0.971 -3.022 -3.102) 4.438 4.187 ( 6.964 -1.010 -2.940) 7.626 4.218 ( -0.409 1.626 4.222) 4.543 4.525 ( -3.705 3.801 -4.821) 7.170 4.715 ( -3.517 3.058 6.051) 7.637 4.744 ( 4.422 -3.055 -1.800) 5.667 5.269 ( -6.907 2.080 10.416) 12.670 5.427 ( -1.002 -3.919 2.072) 4.545 5.631 ( 2.232 1.773 0.827) 2.968 6.274 ( 11.129 -3.130 -16.308) 19.990 6.648 ( -1.514 0.141 -6.322) 6.502 6.777 ( 2.789 7.019 -9.153) 11.867 7.129 ( 0.022 -0.741 -6.335) 6.378 7.276 ( -11.727 2.518 2.869) 12.333 7.404 ( 5.535 -4.854 -5.947) 9.464 7.635 ( 4.305 8.196 -8.806) 12.777 7.815 ( -1.151 -4.227 5.196) 6.796 7.825 ( 0.191 2.242 -5.567) 6.005 7.937 ( 2.138 9.480 5.764) 11.299 8.339 ( -3.146 2.009 7.908) 8.745 8.681 ( 1.292 -10.119 0.983) 10.248 8.818 ( -0.625 -1.497 5.238) 5.484 10.223 ( -1.085 1.640 5.883) 6.203 10.415 ( 1.405 0.152 -4.818) 5.021 11.218 ( -2.841 -0.254 11.337) 11.691 12.162 ( -3.451 1.781 5.690) 6.889 12.750 ( 0.530 -5.074 8.125) 9.594 14.227 ( 0.698 1.023 -9.130) 9.213 14.877 ( -1.219 0.320 -4.854) 5.015 14.908 ( 2.258 -1.833 0.641) 2.978 ======================= Grid point 160 (72/251) ======================= q-point: (-0.50 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( -10.452 -0.000 19.921) 22.496 1.293 ( -8.238 -0.000 0.554) 8.257 1.780 ( -1.599 -0.000 9.718) 9.848 1.959 ( -0.448 -0.000 -7.852) 7.865 2.283 ( 1.032 0.000 -4.882) 4.990 2.342 ( -1.389 -0.000 7.080) 7.215 2.539 ( -3.727 -0.000 3.405) 5.049 2.749 ( -1.384 -0.000 4.825) 5.020 3.059 ( -7.520 -0.000 -8.622) 11.441 3.299 ( 0.836 0.000 0.480) 0.964 3.474 ( -4.551 -0.000 -1.661) 4.845 3.604 ( 1.600 0.000 -1.262) 2.037 4.236 ( -3.230 -0.000 -11.274) 11.727 4.557 ( 0.886 0.000 13.991) 14.019 4.581 ( 5.657 0.000 2.238) 6.084 4.813 ( -2.109 -0.000 -1.756) 2.744 4.848 ( 2.943 0.000 -1.690) 3.393 4.914 ( -5.498 -0.000 -15.644) 16.582 5.382 ( -6.125 -0.000 19.710) 20.640 5.525 ( 13.955 0.000 -5.575) 15.027 5.794 ( -1.961 -0.000 6.059) 6.369 5.865 ( 9.962 0.000 -25.429) 27.311 5.928 ( -0.980 -0.000 0.887) 1.322 6.344 ( -1.987 -0.000 14.904) 15.036 6.930 ( 9.552 0.000 -0.133) 9.553 7.009 ( 1.941 0.000 18.286) 18.389 7.083 ( -11.971 -0.000 5.233) 13.065 7.397 ( 3.856 0.000 4.052) 5.594 8.146 ( -4.358 -0.000 -1.603) 4.643 8.204 ( -3.152 -0.000 -0.784) 3.248 8.583 ( -1.302 -0.000 -7.940) 8.046 8.845 ( 1.141 0.000 0.480) 1.238 9.174 ( 1.912 0.000 -7.813) 8.044 9.486 ( 1.504 0.000 -7.132) 7.288 10.263 ( -2.432 -0.000 5.296) 5.828 10.491 ( 6.171 0.000 -9.085) 10.983 11.518 ( -0.838 -0.000 6.960) 7.010 12.053 ( 1.698 0.000 1.411) 2.208 12.173 ( -6.625 -0.000 22.455) 23.412 14.116 ( -1.577 -0.000 -0.772) 1.756 14.620 ( 1.313 0.000 -0.929) 1.609 15.218 ( -0.751 -0.000 -10.615) 10.642 ======================= Grid point 161 (73/251) ======================= q-point: (-0.40 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.005 ( -11.349 -5.550 16.206) 20.548 1.285 ( -9.841 -6.992 -1.325) 12.144 1.780 ( -0.644 0.692 8.000) 8.055 1.952 ( -3.311 -1.013 -6.178) 7.082 2.264 ( 0.966 2.524 1.334) 3.014 2.344 ( 0.406 -2.409 -1.820) 3.047 2.556 ( -1.566 -1.647 1.421) 2.680 2.735 ( -0.249 1.530 4.746) 4.993 2.956 ( -10.977 -0.683 -7.042) 13.060 3.298 ( 0.536 1.255 1.180) 1.804 3.432 ( -7.832 -2.018 -1.503) 8.227 3.666 ( 11.434 0.062 0.134) 11.435 4.133 ( -2.846 5.787 -7.068) 9.568 4.500 ( 1.043 3.672 4.769) 6.108 4.643 ( 1.702 5.524 -3.435) 6.724 4.719 ( -7.776 3.890 -13.988) 16.470 4.831 ( 0.872 0.658 -4.667) 4.793 4.942 ( 3.101 -4.802 6.078) 8.344 5.329 ( -3.941 4.200 7.367) 9.351 5.656 ( 2.843 -5.832 3.783) 7.510 5.731 ( 7.804 1.266 7.551) 10.932 5.934 ( 4.242 -1.342 -10.870) 11.746 6.062 ( 5.598 -3.136 0.533) 6.438 6.246 ( -0.690 2.734 7.988) 8.471 6.998 ( -5.462 -3.622 -0.714) 6.593 7.008 ( 1.194 0.177 5.684) 5.811 7.246 ( 0.453 -14.716 12.645) 19.408 7.391 ( 5.257 4.842 6.334) 9.550 8.098 ( -5.198 6.165 -2.524) 8.450 8.145 ( -4.580 -3.786 -2.658) 6.510 8.506 ( -3.082 4.936 -11.020) 12.462 8.847 ( 0.306 2.914 3.600) 4.642 9.001 ( 0.246 12.332 -6.203) 13.806 9.588 ( 0.257 -6.061 -5.699) 8.323 10.163 ( -1.116 9.083 4.977) 10.417 10.490 ( 3.139 2.471 -9.696) 10.487 11.584 ( 1.581 -3.967 3.178) 5.323 12.085 ( 2.237 -0.328 4.620) 5.144 12.177 ( -3.063 -1.943 23.577) 23.854 14.120 ( -2.695 -2.543 -1.884) 4.157 14.648 ( 2.675 -1.657 -0.626) 3.209 15.157 ( -1.265 3.584 -10.612) 11.272 ======================= Grid point 162 (74/251) ======================= q-point: (-0.30 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( -9.049 -10.098 10.481) 17.138 1.370 ( -8.301 -10.170 -1.213) 13.184 1.773 ( -0.155 1.369 4.916) 5.105 1.914 ( -3.558 -0.106 -2.574) 4.393 2.262 ( 0.460 -0.572 -0.702) 1.016 2.397 ( -0.191 -3.862 -5.741) 6.922 2.549 ( 0.220 0.796 -3.080) 3.189 2.730 ( 1.813 0.072 7.014) 7.245 2.937 ( -10.445 -6.737 0.356) 12.434 3.251 ( 0.037 4.662 0.181) 4.666 3.440 ( -3.471 -3.914 0.340) 5.242 3.743 ( 10.366 1.456 0.636) 10.487 3.999 ( -2.642 5.277 -6.189) 8.551 4.369 ( -2.980 10.152 -7.934) 13.225 4.519 ( 3.138 5.781 1.085) 6.667 4.626 ( -0.765 1.161 -12.076) 12.155 4.797 ( -0.135 3.047 -3.588) 4.709 5.017 ( 2.143 1.396 10.006) 10.328 5.256 ( -3.753 0.521 -3.527) 5.176 5.712 ( 1.615 7.994 11.714) 14.273 5.797 ( 3.352 1.338 7.256) 8.105 5.980 ( 8.228 -0.447 7.180) 10.929 6.105 ( 1.950 -12.173 -0.988) 12.368 6.431 ( 4.576 -12.830 -5.100) 14.545 6.998 ( 0.753 2.775 2.888) 4.076 7.046 ( -6.385 -7.535 -3.666) 10.535 7.331 ( 5.558 4.635 5.806) 9.278 7.549 ( -3.192 -14.944 8.627) 17.548 7.921 ( -5.736 6.868 -4.494) 10.013 8.185 ( 0.303 1.077 -5.351) 5.467 8.360 ( -3.868 2.030 -10.677) 11.536 8.629 ( -2.499 16.578 -1.237) 16.811 8.888 ( -1.838 4.934 6.190) 8.126 9.536 ( -4.078 10.622 -7.542) 13.650 10.051 ( 1.544 2.481 7.281) 7.845 10.439 ( 0.917 2.037 -10.320) 10.559 11.601 ( 0.457 4.570 3.010) 5.491 12.123 ( 3.015 -1.047 4.472) 5.494 12.309 ( 1.849 -7.957 22.780) 24.201 14.151 ( -2.345 -3.625 -3.640) 5.647 14.719 ( 4.344 -3.195 -0.243) 5.398 15.047 ( -2.450 4.627 -8.976) 10.391 ======================= Grid point 163 (75/251) ======================= q-point: (-0.20 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( -5.497 -10.908 6.410) 13.795 1.485 ( -7.253 -9.211 1.960) 11.886 1.739 ( 0.687 3.366 2.088) 4.020 1.938 ( 2.408 -3.485 -2.430) 4.884 2.246 ( -4.147 0.451 -1.100) 4.314 2.477 ( -0.125 -6.790 -6.276) 9.247 2.549 ( 3.010 -0.393 -4.785) 5.666 2.799 ( 3.962 -3.402 8.250) 9.764 3.000 ( -10.367 -8.453 4.735) 14.190 3.143 ( 0.188 7.011 -0.869) 7.067 3.492 ( -2.012 -3.242 1.322) 4.038 3.754 ( 6.882 7.031 -3.753) 10.530 3.878 ( -3.029 2.203 -8.260) 9.069 4.215 ( 5.434 5.447 -5.441) 9.424 4.431 ( -0.183 5.705 1.237) 5.840 4.630 ( 4.342 -1.601 -5.323) 7.054 4.705 ( -1.721 5.804 -4.058) 7.288 4.966 ( 0.907 7.545 9.816) 12.414 5.229 ( -4.236 -1.827 -2.982) 5.493 5.544 ( 0.816 10.551 12.091) 16.068 5.758 ( -1.247 4.210 1.247) 4.564 6.117 ( 12.200 -3.720 -2.323) 12.965 6.433 ( 0.527 -19.109 -0.249) 19.118 6.657 ( 2.425 -9.368 3.480) 10.283 6.966 ( 5.542 0.757 0.400) 5.608 7.149 ( -3.974 -6.954 -7.593) 11.036 7.317 ( -0.101 -0.466 7.007) 7.023 7.736 ( -5.630 -5.181 0.353) 7.659 7.775 ( -4.903 1.878 -6.262) 8.172 8.069 ( 0.467 3.779 -5.273) 6.504 8.293 ( -4.811 16.849 -6.196) 18.585 8.389 ( -1.749 -3.137 -2.870) 4.597 8.730 ( -2.032 11.583 9.786) 15.299 9.205 ( -3.272 18.524 -6.653) 19.953 10.100 ( -0.363 -4.548 6.562) 7.993 10.415 ( 1.068 -0.040 -6.929) 7.011 11.469 ( -0.992 10.054 8.297) 13.073 12.168 ( 0.707 -1.024 4.707) 4.869 12.519 ( 4.914 -7.630 15.380) 17.858 14.192 ( -0.262 -2.920 -5.557) 6.283 14.815 ( 4.954 -3.174 -0.155) 5.886 14.941 ( -3.149 3.038 -6.683) 7.988 ======================= Grid point 164 (76/251) ======================= q-point: (-0.10 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( -2.672 -7.300 4.213) 8.842 1.598 ( -5.747 -8.826 4.331) 11.388 1.678 ( 1.935 4.767 0.603) 5.180 2.016 ( 3.917 -1.726 -1.648) 4.587 2.200 ( -5.470 0.163 1.373) 5.642 2.577 ( 1.152 -4.702 -9.199) 10.395 2.616 ( 5.492 -4.479 -5.289) 8.842 2.880 ( 1.621 1.418 3.761) 4.333 3.042 ( 3.472 4.241 1.018) 5.575 3.100 ( -9.636 -11.206 6.043) 15.967 3.488 ( -3.430 2.451 -1.336) 4.422 3.613 ( 4.249 7.042 -3.672) 9.007 3.885 ( 0.012 -3.019 -5.040) 5.875 4.207 ( 6.021 0.794 -4.303) 7.443 4.334 ( 1.538 6.317 3.337) 7.308 4.561 ( -3.998 5.692 -5.727) 9.010 4.719 ( 6.228 -3.735 -0.402) 7.273 4.825 ( -2.047 8.841 8.717) 12.583 5.239 ( -5.085 -1.986 4.479) 7.062 5.430 ( 1.245 4.482 4.215) 6.277 5.669 ( -2.554 3.105 0.832) 4.106 6.274 ( 11.291 -4.815 -11.278) 16.669 6.634 ( 2.298 -1.752 1.291) 3.165 6.821 ( 3.423 -5.598 -3.355) 7.370 7.098 ( 1.950 -3.509 -3.953) 5.634 7.147 ( -4.172 -4.959 2.134) 6.823 7.382 ( 0.493 -2.385 -1.401) 2.810 7.678 ( -2.920 -2.619 -4.975) 6.335 7.728 ( -4.638 2.508 -8.490) 9.994 7.947 ( -4.714 11.863 -7.705) 14.910 8.107 ( 0.206 1.552 2.886) 3.284 8.348 ( -4.432 1.692 8.493) 9.728 8.592 ( 2.106 3.256 1.433) 4.134 8.906 ( -1.434 10.479 -0.494) 10.588 10.190 ( -1.812 -4.418 5.500) 7.283 10.419 ( 1.280 -0.177 -4.205) 4.399 11.302 ( -1.585 8.452 11.042) 13.996 12.178 ( -1.245 0.860 6.529) 6.702 12.686 ( 2.780 -4.999 9.079) 10.731 14.225 ( 2.261 -1.011 -7.240) 7.652 14.868 ( -2.619 1.305 -5.255) 6.015 14.897 ( 3.554 -2.060 -0.118) 4.110 ======================= Grid point 171 (77/251) ======================= q-point: (-0.40 -0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.879 ( -14.801 -0.000 18.598) 23.769 1.123 ( -12.876 -0.000 -1.939) 13.021 1.801 ( 0.365 0.000 7.197) 7.206 1.890 ( -6.556 -0.000 -7.596) 10.034 2.296 ( 3.056 0.000 -5.042) 5.896 2.334 ( -3.189 -0.000 8.741) 9.305 2.536 ( 1.888 0.000 1.659) 2.514 2.747 ( -1.554 -0.000 5.076) 5.309 2.845 ( -10.725 -0.000 -14.250) 17.835 3.309 ( -0.086 -0.000 1.496) 1.498 3.352 ( -6.043 -0.000 -0.527) 6.066 3.770 ( 13.878 0.000 -0.040) 13.878 4.158 ( -1.684 -0.000 -9.952) 10.094 4.584 ( -7.063 -0.000 -5.837) 9.163 4.589 ( -1.197 -0.000 7.286) 7.384 4.768 ( 1.825 0.000 0.472) 1.886 4.854 ( 2.789 0.000 -12.465) 12.773 4.868 ( -0.649 -0.000 1.220) 1.382 5.369 ( -3.897 -0.000 18.993) 19.389 5.629 ( -2.261 -0.000 -1.330) 2.623 5.845 ( 8.578 0.000 5.041) 9.950 5.923 ( 2.525 0.000 -2.552) 3.590 5.964 ( 10.651 0.000 -18.872) 21.670 6.395 ( 1.526 0.000 14.381) 14.461 6.897 ( -11.203 -0.000 0.726) 11.226 7.075 ( 6.484 0.000 2.692) 7.021 7.093 ( -0.754 -0.000 20.821) 20.834 7.517 ( 8.009 0.000 8.050) 11.355 8.052 ( -6.254 -0.000 -2.285) 6.658 8.086 ( -10.958 -0.000 -2.321) 11.201 8.499 ( -5.074 -0.000 -11.038) 12.148 8.850 ( -0.754 -0.000 0.615) 0.973 9.169 ( 1.118 0.000 -7.978) 8.056 9.492 ( 2.572 0.000 -7.247) 7.690 10.246 ( -1.669 -0.000 4.011) 4.344 10.530 ( 2.878 0.000 -8.348) 8.830 11.559 ( 2.665 0.000 6.189) 6.738 12.111 ( 4.439 0.000 2.755) 5.225 12.193 ( -1.932 -0.000 27.268) 27.336 14.063 ( -4.449 -0.000 -1.541) 4.709 14.651 ( 2.880 0.000 -0.585) 2.939 15.160 ( -1.362 -0.000 -13.065) 13.136 ======================= Grid point 172 (78/251) ======================= q-point: (-0.30 -0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.865 ( -13.261 -7.521 15.875) 22.010 1.103 ( -12.574 -9.452 -2.084) 15.868 1.803 ( -1.496 0.267 -1.363) 2.041 1.824 ( -9.508 -1.247 0.801) 9.623 2.297 ( 1.941 1.745 1.570) 3.046 2.333 ( -1.266 -1.185 -0.296) 1.759 2.565 ( 2.116 -0.045 -0.869) 2.288 2.755 ( -0.201 -1.022 5.018) 5.125 2.763 ( -6.556 -2.258 -9.650) 11.883 3.292 ( -1.827 1.226 -1.017) 2.424 3.361 ( -0.282 -3.192 3.171) 4.509 3.864 ( 12.119 1.614 0.393) 12.232 4.074 ( -1.515 5.555 -6.062) 8.360 4.447 ( -6.528 5.140 -4.739) 9.565 4.595 ( -2.141 0.004 -7.677) 7.970 4.688 ( 3.385 8.544 -1.303) 9.282 4.819 ( 0.190 0.119 -5.707) 5.712 5.002 ( 2.221 -6.490 5.427) 8.747 5.300 ( -2.550 6.954 4.565) 8.700 5.634 ( -4.469 -8.414 9.722) 13.612 5.908 ( 6.978 2.284 3.701) 8.222 5.970 ( 3.285 0.099 -2.382) 4.059 6.179 ( 11.221 -13.764 -9.215) 20.007 6.304 ( 3.882 10.337 11.652) 16.053 6.835 ( -10.429 -4.415 0.559) 11.338 7.091 ( 3.504 2.614 2.750) 5.165 7.280 ( -3.409 -13.492 13.341) 19.278 7.513 ( 6.280 7.427 8.497) 12.915 7.933 ( -13.225 3.707 -3.940) 14.289 8.098 ( -0.873 -7.095 -0.064) 7.149 8.385 ( -6.424 5.008 -13.864) 16.079 8.845 ( -1.840 2.940 2.438) 4.240 8.971 ( -1.026 13.115 -6.808) 14.812 9.580 ( 1.483 -2.799 -5.465) 6.317 10.169 ( -0.301 6.779 4.039) 7.897 10.486 ( 0.852 4.176 -10.320) 11.166 11.630 ( 2.678 -2.212 1.979) 3.997 12.152 ( 3.997 0.163 3.962) 5.630 12.274 ( 3.329 -3.866 32.051) 32.455 14.055 ( -4.363 -3.440 -2.081) 5.933 14.697 ( 3.710 -2.451 -0.424) 4.466 15.085 ( -2.663 3.745 -13.294) 14.066 ======================= Grid point 173 (79/251) ======================= q-point: (-0.20 -0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( -8.252 -12.581 10.669) 18.445 1.222 ( -10.194 -12.708 -0.611) 16.302 1.795 ( -8.792 -3.839 3.023) 10.059 1.809 ( 1.208 -2.358 -3.975) 4.777 2.266 ( 0.363 3.047 -0.955) 3.214 2.344 ( -4.484 -3.354 -1.482) 5.793 2.576 ( 4.046 0.027 -4.852) 6.318 2.794 ( 1.555 -3.458 4.647) 5.997 2.805 ( -3.092 -4.796 1.453) 5.888 3.238 ( -1.189 3.649 0.366) 3.855 3.433 ( 1.054 -3.103 2.406) 4.065 3.879 ( 5.084 3.981 1.798) 6.703 3.946 ( 0.336 6.907 -8.472) 10.936 4.321 ( 1.165 3.970 -6.897) 8.043 4.526 ( -1.287 4.876 -3.275) 6.013 4.626 ( 4.716 0.308 -7.174) 8.591 4.784 ( 0.005 3.699 -3.412) 5.032 5.082 ( 1.524 1.392 9.466) 9.688 5.198 ( -2.291 1.936 -2.226) 3.736 5.767 ( 0.855 4.446 7.610) 8.855 5.827 ( -2.339 6.278 10.891) 12.787 6.041 ( -1.799 -12.731 2.467) 13.092 6.222 ( 8.992 1.722 -0.918) 9.201 6.525 ( 10.057 -12.531 -0.852) 16.090 6.912 ( -6.625 -11.447 -3.382) 13.651 7.049 ( 3.111 3.955 0.650) 5.073 7.411 ( -1.652 3.999 7.566) 8.716 7.509 ( -2.505 -8.906 7.421) 11.861 7.772 ( -10.953 2.284 -4.551) 12.079 8.134 ( -4.384 5.255 -12.437) 14.196 8.297 ( 0.742 -4.862 -2.716) 5.619 8.565 ( -3.817 18.864 -5.308) 19.965 8.866 ( -3.890 4.180 6.044) 8.314 9.480 ( 0.552 13.019 -7.354) 14.962 10.091 ( 0.117 2.533 7.655) 8.064 10.410 ( 0.458 1.295 -10.999) 11.085 11.619 ( 0.160 5.358 3.418) 6.358 12.180 ( 2.409 0.256 3.823) 4.526 12.481 ( 7.847 -6.350 27.736) 29.516 14.109 ( -0.678 -5.231 -3.096) 6.116 14.787 ( 4.137 -3.856 -0.166) 5.658 14.961 ( -4.064 4.026 -11.116) 12.501 ======================= Grid point 174 (80/251) ======================= q-point: (-0.10 -0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( -4.658 -12.429 6.339) 14.709 1.365 ( -8.597 -11.877 2.613) 14.892 1.768 ( 0.525 2.748 2.318) 3.633 1.938 ( 0.375 -8.646 -3.615) 9.378 2.206 ( -0.661 3.000 -0.097) 3.074 2.412 ( -4.323 -9.909 -4.274) 11.625 2.614 ( 5.272 -1.101 -4.690) 7.141 2.870 ( -4.373 -5.278 2.000) 7.140 2.894 ( 2.547 -3.539 5.191) 6.780 3.155 ( 0.957 4.910 3.040) 5.853 3.467 ( -2.650 -0.251 3.784) 4.626 3.797 ( 2.545 7.844 -12.099) 14.642 3.864 ( 3.701 1.635 -0.390) 4.065 4.285 ( 5.531 3.262 -6.998) 9.497 4.439 ( 1.139 4.081 -0.445) 4.261 4.653 ( -2.761 6.816 -3.216) 8.026 4.699 ( 6.144 -2.362 -3.648) 7.525 5.002 ( -1.182 9.282 11.051) 14.480 5.182 ( -1.134 -1.451 -1.034) 2.112 5.590 ( -0.735 11.151 9.044) 14.376 5.716 ( -4.597 5.251 3.823) 7.958 6.235 ( 5.037 -4.806 -7.260) 10.059 6.453 ( 1.472 -21.683 -1.264) 21.770 6.740 ( 6.168 -3.130 5.951) 9.124 7.023 ( -1.694 -5.381 -5.712) 8.029 7.103 ( 4.899 -4.066 -1.097) 6.461 7.339 ( -0.108 1.359 6.535) 6.675 7.616 ( -8.890 -5.686 0.740) 10.579 7.660 ( -6.358 1.734 -8.004) 10.368 8.018 ( -4.486 0.565 -4.796) 6.591 8.194 ( -3.869 14.720 -9.995) 18.208 8.357 ( -1.666 1.081 -0.507) 2.050 8.722 ( -3.136 7.973 7.742) 11.548 9.183 ( 3.117 18.682 -5.417) 19.700 10.105 ( -1.931 -3.282 6.772) 7.770 10.408 ( 1.190 -1.131 -6.222) 6.435 11.482 ( -1.240 9.837 8.385) 12.985 12.196 ( 0.656 0.264 4.995) 5.044 12.663 ( 5.148 -3.349 16.949) 18.027 14.198 ( 4.030 -3.529 -5.250) 7.501 14.853 ( -4.174 0.686 -4.796) 6.395 14.888 ( 3.762 -1.988 -2.826) 5.108 ======================= Grid point 182 (81/251) ======================= q-point: (-0.30 -0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.711 ( -14.850 -0.000 19.589) 24.582 0.885 ( -16.536 -0.000 -1.746) 16.628 1.648 ( -22.164 -0.000 -4.543) 22.625 1.844 ( 2.233 0.000 4.614) 5.126 2.311 ( -3.723 -0.000 10.311) 10.963 2.351 ( 6.709 0.000 -5.128) 8.444 2.592 ( 4.227 0.000 0.439) 4.250 2.666 ( -3.468 -0.000 -15.424) 15.809 2.762 ( 0.480 0.000 3.116) 3.153 3.305 ( -1.323 -0.000 2.302) 2.655 3.328 ( 2.237 0.000 3.244) 3.941 3.972 ( 11.769 0.000 -0.694) 11.790 4.114 ( 0.014 0.000 -7.132) 7.132 4.430 ( -6.689 -0.000 -9.529) 11.642 4.587 ( -0.926 -0.000 2.414) 2.585 4.781 ( -0.651 -0.000 -1.974) 2.079 4.832 ( -4.556 -0.000 1.734) 4.874 4.917 ( 8.889 0.000 -6.844) 11.219 5.412 ( 1.232 0.000 16.665) 16.711 5.530 ( -8.344 -0.000 1.272) 8.440 5.954 ( 1.934 0.000 0.977) 2.167 5.997 ( 6.236 0.000 4.706) 7.812 6.068 ( 10.752 0.000 -20.361) 23.026 6.489 ( 4.161 0.000 11.508) 12.237 6.740 ( -8.306 -0.000 -1.584) 8.456 7.117 ( -5.909 -0.000 19.511) 20.386 7.166 ( 4.192 0.000 3.016) 5.165 7.641 ( -1.669 -0.000 10.946) 11.072 7.903 ( -6.197 -0.000 -3.053) 6.909 7.961 ( -4.409 -0.000 2.161) 4.910 8.350 ( -8.051 -0.000 -13.816) 15.991 8.828 ( -1.765 -0.000 -1.167) 2.116 9.153 ( 0.663 0.000 -8.127) 8.154 9.508 ( 2.664 0.000 -7.238) 7.712 10.245 ( -0.010 -0.000 2.713) 2.713 10.513 ( -1.288 -0.000 -10.640) 10.718 11.629 ( 3.480 0.000 3.563) 4.981 12.198 ( 4.864 0.000 3.337) 5.899 12.339 ( 6.325 0.000 40.972) 41.457 13.974 ( -6.026 -0.000 -1.651) 6.248 14.700 ( 3.423 0.000 -0.516) 3.462 15.072 ( -3.432 -0.000 -16.732) 17.080 ======================= Grid point 183 (82/251) ======================= q-point: (-0.20 -0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.732 ( -10.800 -9.960 17.007) 22.474 0.888 ( -13.909 -13.379 -0.968) 19.323 1.508 ( -24.803 -7.500 -1.703) 25.968 1.857 ( 2.662 1.267 2.474) 3.849 2.296 ( -3.226 0.799 7.636) 8.328 2.354 ( 4.901 4.352 -4.566) 7.987 2.592 ( 2.400 0.376 -5.694) 6.190 2.694 ( 1.481 -4.427 -4.426) 6.433 2.800 ( 3.044 -1.888 4.558) 5.797 3.270 ( -0.723 1.656 0.408) 1.853 3.407 ( 3.329 -2.866 4.656) 6.401 4.019 ( 6.214 5.654 1.214) 8.488 4.046 ( 1.620 4.680 -5.534) 7.426 4.348 ( -2.236 1.389 -5.853) 6.418 4.551 ( -0.878 2.171 -6.245) 6.670 4.719 ( 1.041 5.698 -1.623) 6.015 4.801 ( 0.018 -1.133 -4.783) 4.915 5.062 ( 3.954 -5.937 2.298) 7.494 5.275 ( -2.624 9.276 1.979) 9.841 5.614 ( -2.422 -11.520 7.867) 14.159 5.962 ( 0.957 5.082 -0.755) 5.226 6.002 ( -1.110 3.570 4.609) 5.935 6.301 ( 8.004 -16.211 -10.326) 20.821 6.458 ( 10.038 8.012 9.576) 16.021 6.690 ( -7.560 -5.507 -1.761) 9.518 7.150 ( 2.801 3.678 4.401) 6.383 7.226 ( -7.795 -9.776 9.849) 15.916 7.579 ( -9.187 1.883 10.369) 13.981 7.732 ( -3.934 7.691 -2.162) 8.905 8.096 ( -1.927 -5.154 -3.369) 6.453 8.244 ( -2.963 -0.073 -8.469) 8.972 8.813 ( -2.591 3.542 -0.364) 4.403 8.921 ( -2.258 14.691 -6.883) 16.380 9.596 ( 2.811 -1.356 -4.700) 5.642 10.180 ( 0.150 5.535 2.646) 6.137 10.436 ( -2.205 3.462 -12.388) 13.050 11.672 ( 1.957 -0.076 0.698) 2.079 12.226 ( 3.478 1.343 3.494) 5.110 12.533 ( 12.736 -3.423 44.761) 46.663 13.987 ( -2.507 -6.389 -1.416) 7.008 14.752 ( 3.244 -2.853 -0.399) 4.339 14.969 ( -5.708 3.553 -16.787) 18.083 ======================= Grid point 184 (83/251) ======================= q-point: (-0.10 -0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.920 ( -5.834 -14.123 9.807) 18.157 1.058 ( -10.656 -14.728 1.924) 18.280 1.584 ( -14.684 -18.245 0.121) 23.420 1.864 ( 3.789 0.155 -0.019) 3.792 2.257 ( -3.872 1.290 3.847) 5.608 2.292 ( 1.462 3.315 -1.476) 3.912 2.621 ( 3.657 -1.244 -4.459) 5.899 2.779 ( 0.887 -3.963 0.381) 4.079 2.883 ( 4.586 -2.762 5.358) 7.574 3.232 ( -0.176 2.888 2.258) 3.670 3.459 ( 0.409 -0.404 3.283) 3.333 3.899 ( 0.790 6.794 -2.392) 7.246 3.984 ( 5.432 5.451 -4.299) 8.815 4.354 ( 5.087 0.486 -6.192) 8.028 4.493 ( -0.831 1.947 -4.223) 4.723 4.681 ( 5.184 0.311 -6.965) 8.688 4.765 ( -1.254 4.308 -2.538) 5.155 5.123 ( -1.029 2.042 6.757) 7.134 5.175 ( 0.533 1.748 -0.404) 1.872 5.776 ( -3.026 5.506 1.845) 6.548 5.812 ( -4.640 8.350 8.451) 12.754 5.978 ( -5.434 -16.125 -0.420) 17.021 6.316 ( 4.525 4.041 -2.231) 6.465 6.715 ( 11.081 -10.810 0.399) 15.485 6.812 ( -3.245 -11.348 -3.792) 12.398 7.119 ( 5.283 0.901 2.212) 5.798 7.345 ( -5.660 -6.372 6.422) 10.671 7.503 ( -8.744 0.029 8.419) 12.138 7.594 ( -5.523 3.229 -4.016) 7.554 7.999 ( -5.439 3.409 -11.735) 13.377 8.318 ( 0.900 -1.099 -2.162) 2.587 8.493 ( -1.884 18.576 -4.838) 19.288 8.812 ( -5.134 3.805 3.738) 7.404 9.499 ( 4.846 12.611 -6.542) 15.010 10.106 ( -2.073 3.540 8.406) 9.354 10.379 ( 0.860 -1.092 -11.574) 11.657 11.630 ( -0.321 5.903 3.839) 7.049 12.223 ( 1.307 1.378 3.162) 3.689 12.726 ( 8.609 0.279 32.011) 33.149 14.139 ( 6.779 -7.298 -2.577) 10.289 14.809 ( -4.462 -0.619 -5.022) 6.746 14.866 ( 0.475 -1.565 -6.982) 7.171 ======================= Grid point 193 (84/251) ======================= q-point: (-0.20 -0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.576 ( -11.875 -0.000 21.260) 24.351 0.609 ( -18.114 -0.000 1.339) 18.163 1.203 ( -32.512 -0.000 2.834) 32.635 1.894 ( 2.416 0.000 2.343) 3.365 2.303 ( -1.865 -0.000 9.330) 9.515 2.467 ( 9.659 0.000 -2.947) 10.098 2.594 ( 0.077 0.000 -10.767) 10.767 2.658 ( 3.849 0.000 -0.282) 3.859 2.810 ( 3.729 0.000 3.884) 5.384 3.285 ( -2.269 -0.000 2.370) 3.281 3.418 ( 6.271 0.000 4.618) 7.788 4.101 ( 0.712 0.000 -4.384) 4.442 4.127 ( 8.651 0.000 -1.181) 8.731 4.337 ( -1.018 -0.000 -7.472) 7.541 4.582 ( -0.029 -0.000 -2.376) 2.376 4.755 ( -5.283 -0.000 2.802) 5.980 4.757 ( -0.724 -0.000 -4.483) 4.541 5.043 ( 9.827 0.000 -6.108) 11.571 5.407 ( -7.635 -0.000 1.787) 7.841 5.497 ( 0.764 0.000 5.975) 6.024 5.986 ( 1.440 0.000 1.700) 2.228 6.042 ( -3.206 -0.000 5.814) 6.640 6.132 ( 6.873 0.000 -16.329) 17.717 6.557 ( -1.600 -0.000 -0.113) 1.604 6.669 ( 1.600 0.000 3.843) 4.163 7.070 ( -6.697 -0.000 15.968) 17.315 7.234 ( 3.154 0.000 2.165) 3.826 7.474 ( -17.023 -0.000 7.247) 18.501 7.932 ( -3.132 -0.000 4.816) 5.745 7.951 ( 6.540 0.000 3.289) 7.321 8.175 ( -6.569 -0.000 -8.786) 10.970 8.791 ( -1.564 -0.000 -4.123) 4.409 9.134 ( 0.795 0.000 -8.251) 8.289 9.518 ( 1.960 0.000 -7.598) 7.847 10.264 ( 1.195 0.000 2.201) 2.504 10.388 ( -9.613 -0.000 -15.236) 18.015 11.684 ( 2.485 0.000 0.993) 2.676 12.276 ( 3.476 0.000 2.985) 4.582 12.755 ( 26.201 0.000 63.695) 68.873 13.875 ( -5.556 -0.000 -1.124) 5.669 14.748 ( 2.862 0.000 -0.559) 2.916 14.915 ( -8.644 -0.000 -21.668) 23.329 ======================= Grid point 194 (85/251) ======================= q-point: (-0.10 -0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.640 ( -9.619 -12.994 10.399) 19.222 0.695 ( -10.615 -16.601 6.704) 20.814 1.099 ( -25.504 -16.068 8.227) 31.246 1.904 ( 2.638 1.055 0.993) 3.010 2.283 ( -2.006 2.597 7.348) 8.047 2.430 ( 6.050 7.592 0.282) 9.712 2.616 ( 3.326 -1.408 -3.499) 5.029 2.727 ( 2.480 -3.424 -1.066) 4.360 2.882 ( 5.025 -2.764 5.638) 8.042 3.263 ( -0.767 0.719 1.342) 1.705 3.473 ( 2.350 0.213 3.724) 4.408 4.040 ( 1.792 6.639 -2.303) 7.252 4.120 ( 5.053 6.625 -0.397) 8.342 4.342 ( 2.703 -3.613 -2.921) 5.375 4.512 ( -1.290 3.626 -6.700) 7.726 4.722 ( 1.681 0.865 -4.823) 5.181 4.782 ( -0.535 -0.912 -3.791) 3.936 5.134 ( 2.620 -0.108 -0.393) 2.652 5.220 ( -4.119 4.693 -1.679) 6.466 5.566 ( -6.331 -11.312 -6.608) 14.551 5.924 ( -7.793 8.839 0.042) 11.784 5.980 ( -1.458 5.596 5.959) 8.304 6.366 ( 5.075 -11.841 -5.174) 13.883 6.562 ( -3.603 -0.474 -2.223) 4.260 6.677 ( 9.463 -6.113 4.920) 12.294 7.166 ( -2.887 -7.824 9.645) 12.750 7.221 ( 4.384 2.871 5.411) 7.532 7.352 ( -16.062 -1.516 3.024) 16.415 7.750 ( -1.596 11.074 2.926) 11.565 7.978 ( -5.181 1.172 -7.184) 8.934 8.280 ( 5.146 -6.585 2.961) 8.866 8.770 ( -1.886 4.108 -3.002) 5.427 8.853 ( -3.366 16.409 -5.491) 17.628 9.625 ( 2.658 -1.741 -3.709) 4.884 10.190 ( 0.326 4.221 -0.011) 4.233 10.325 ( -5.782 -1.697 -13.112) 14.430 11.699 ( 1.369 1.252 0.606) 1.952 12.277 ( 1.360 2.591 2.732) 4.004 12.987 ( 19.811 11.392 53.233) 57.931 14.026 ( 11.038 -13.686 1.644) 17.659 14.750 ( -9.071 1.256 -11.845) 14.972 14.812 ( -0.747 -2.708 -6.297) 6.895 ======================= Grid point 204 (86/251) ======================= q-point: (-0.10 -0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.380 ( -11.465 -0.000 11.827) 16.472 0.448 ( -16.364 -0.000 11.431) 19.961 0.773 ( -22.075 -0.000 25.458) 33.696 1.935 ( 2.188 0.000 1.032) 2.420 2.313 ( -1.503 -0.000 8.699) 8.828 2.594 ( 2.883 0.000 -0.814) 2.995 2.605 ( 7.104 0.000 0.400) 7.115 2.707 ( 3.038 0.000 0.353) 3.059 2.897 ( 4.963 0.000 6.642) 8.292 3.256 ( -2.051 -0.000 1.325) 2.441 3.510 ( 2.181 0.000 2.577) 3.376 4.100 ( 1.028 0.000 -3.621) 3.764 4.235 ( 5.477 0.000 -1.299) 5.629 4.340 ( 3.138 0.000 -2.491) 4.006 4.549 ( -1.766 -0.000 -7.596) 7.798 4.728 ( -0.650 -0.000 -5.968) 6.004 4.745 ( 3.908 0.000 3.433) 5.202 5.171 ( 9.866 0.000 -8.869) 13.266 5.247 ( -32.751 -0.000 -23.630) 40.386 5.318 ( -4.400 -0.000 1.828) 4.764 5.945 ( -11.336 -0.000 5.250) 12.493 6.015 ( 0.638 0.000 2.099) 2.194 6.280 ( 15.253 0.000 4.800) 15.990 6.494 ( -2.699 -0.000 -6.183) 6.746 6.744 ( 2.980 0.000 5.580) 6.326 7.086 ( 3.308 0.000 13.137) 13.547 7.211 ( -7.266 -0.000 -2.661) 7.738 7.345 ( -1.675 -0.000 12.409) 12.522 7.788 ( -10.730 -0.000 -12.388) 16.389 8.046 ( 3.355 0.000 4.290) 5.446 8.208 ( 8.483 0.000 14.694) 16.967 8.755 ( -0.382 -0.000 -6.762) 6.773 9.121 ( 1.402 0.000 -8.130) 8.250 9.513 ( 1.155 0.000 -7.966) 8.049 10.090 ( -21.387 -0.000 -10.020) 23.618 10.292 ( 1.159 0.000 2.359) 2.629 11.719 ( 1.799 0.000 0.591) 1.894 12.320 ( 0.914 0.000 1.753) 1.977 13.718 ( 63.570 0.000 59.350) 86.968 13.806 ( -2.707 -0.000 0.084) 2.708 14.631 ( -14.689 -0.000 -14.710) 20.789 14.780 ( 1.438 0.000 -0.690) 1.595 ======================= Grid point 205 (87/251) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.681 ( 6.835 0.000 16.183) 17.567 0.843 ( 8.955 0.000 20.655) 22.513 1.415 ( 0.272 0.000 29.476) 29.477 1.980 ( 3.374 0.000 -1.398) 3.652 2.464 ( -4.500 -0.000 6.526) 7.927 2.672 ( -4.738 -0.000 5.140) 6.991 2.736 ( 2.139 0.000 4.189) 4.704 2.913 ( 9.374 0.000 6.768) 11.562 3.237 ( -3.365 -0.000 0.394) 3.388 3.355 ( 4.666 0.000 13.262) 14.059 3.584 ( 2.006 0.000 11.600) 11.773 4.036 ( 4.275 0.000 -5.695) 7.121 4.232 ( -1.643 -0.000 -0.705) 1.788 4.354 ( 4.679 0.000 -5.834) 7.478 4.361 ( 3.945 0.000 -10.003) 10.753 4.460 ( -4.340 -0.000 -13.002) 13.707 4.512 ( 2.205 0.000 -9.263) 9.522 4.813 ( -7.018 -0.000 2.543) 7.465 5.011 ( 1.152 0.000 -12.760) 12.812 5.350 ( -2.987 -0.000 3.843) 4.867 5.821 ( -9.731 -0.000 4.460) 10.705 6.036 ( -3.355 -0.000 2.289) 4.062 6.381 ( -0.027 -0.000 -0.578) 0.579 6.464 ( -4.354 -0.000 2.438) 4.990 6.865 ( -4.476 -0.000 4.312) 6.216 7.085 ( 1.302 0.000 -2.954) 3.228 7.201 ( -7.529 -0.000 2.831) 8.043 7.643 ( -3.766 -0.000 14.015) 14.512 7.653 ( 15.991 0.000 -5.584) 16.938 8.198 ( 0.405 0.000 6.326) 6.339 8.321 ( 4.285 0.000 -9.198) 10.148 8.601 ( 0.065 0.000 -4.038) 4.038 8.918 ( 3.577 0.000 -11.765) 12.297 9.354 ( 3.277 0.000 -11.574) 12.029 9.973 ( -7.115 -0.000 8.360) 10.978 10.370 ( 0.643 0.000 2.499) 2.580 11.793 ( 1.595 0.000 3.605) 3.942 12.303 ( -3.548 -0.000 -1.573) 3.881 13.783 ( -22.034 -0.000 3.539) 22.316 13.847 ( 2.918 0.000 2.953) 4.151 14.760 ( -0.561 -0.000 -1.369) 1.480 15.144 ( 19.199 0.000 -6.181) 20.169 ======================= Grid point 206 (88/251) ======================= q-point: ( 0.10 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.857 ( 11.531 -7.324 12.727) 18.670 0.920 ( 5.746 1.874 18.106) 19.088 1.619 ( 6.215 -12.781 23.840) 27.755 2.009 ( 4.956 -0.149 -2.159) 5.408 2.379 ( -5.865 5.137 6.273) 10.007 2.623 ( -5.204 2.653 0.663) 5.878 2.788 ( -3.915 -4.171 6.576) 8.716 2.956 ( 8.233 4.157 8.670) 12.658 3.176 ( -2.002 4.109 -1.025) 4.684 3.411 ( 0.143 -2.365 6.354) 6.781 3.646 ( 3.872 -0.692 16.410) 16.874 3.956 ( 0.672 7.293 -4.961) 8.846 4.241 ( 2.532 3.117 -12.255) 12.896 4.300 ( 0.972 3.777 -1.410) 4.147 4.364 ( 1.822 2.381 -5.713) 6.452 4.457 ( -0.085 -4.792 -7.887) 9.229 4.550 ( 1.684 -2.072 -5.189) 5.836 4.769 ( 0.460 -1.555 1.712) 2.358 5.088 ( 1.688 -8.232 -15.106) 17.286 5.367 ( -3.240 -3.686 1.872) 5.253 5.662 ( -7.884 10.677 6.547) 14.799 6.050 ( -3.454 -3.217 3.299) 5.759 6.326 ( 1.574 1.314 -3.281) 3.869 6.468 ( -5.234 1.036 7.091) 8.874 6.835 ( -6.413 -2.812 -1.007) 7.075 7.110 ( 2.842 -0.595 -2.121) 3.596 7.183 ( -6.003 -2.738 0.951) 6.666 7.575 ( -1.340 4.781 8.180) 9.569 7.784 ( 13.853 -0.138 -3.272) 14.235 8.143 ( 0.758 6.314 6.469) 9.071 8.312 ( 6.493 3.271 -7.825) 10.681 8.635 ( -1.349 -2.253 -0.528) 2.679 8.738 ( 4.221 14.434 -8.261) 17.158 9.492 ( 2.600 -8.880 -13.317) 16.216 10.021 ( -2.226 -7.528 3.038) 8.418 10.317 ( -0.593 6.172 4.205) 7.491 11.790 ( 0.483 2.050 3.591) 4.163 12.279 ( -3.935 -0.587 0.296) 3.989 13.562 ( -22.283 5.549 12.119) 25.966 13.877 ( 3.769 0.138 0.904) 3.878 14.760 ( -1.615 -0.970 -2.150) 2.859 15.156 ( 9.025 7.444 -6.794) 13.529 ======================= Grid point 207 (89/251) ======================= q-point: ( 0.20 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( 3.933 -3.192 10.925) 12.042 1.117 ( 10.611 -9.129 8.238) 16.242 1.933 ( 6.028 -10.182 12.877) 17.488 2.057 ( 6.464 -0.722 -2.508) 6.971 2.255 ( -6.072 3.526 8.112) 10.729 2.496 ( -5.129 5.652 -5.708) 9.530 2.803 ( -3.542 1.630 10.070) 10.798 2.949 ( 1.054 1.881 11.930) 12.123 3.050 ( -2.467 7.675 -4.426) 9.197 3.476 ( 0.113 -3.617 2.691) 4.510 3.687 ( -0.469 1.179 14.542) 14.597 3.840 ( 2.110 5.666 -4.655) 7.630 4.167 ( -0.656 5.502 -3.640) 6.629 4.217 ( 4.333 3.614 -10.164) 11.625 4.295 ( 2.139 4.863 -8.264) 9.824 4.479 ( 2.133 1.219 -1.923) 3.120 4.590 ( -1.911 -2.077 -4.525) 5.333 4.963 ( 3.327 -13.606 5.527) 15.058 5.201 ( 2.134 -4.058 -11.864) 12.719 5.410 ( -8.764 -1.078 5.034) 10.164 5.433 ( -2.182 2.778 -1.292) 3.761 6.057 ( -1.954 2.032 5.146) 5.868 6.361 ( -0.472 3.387 -0.912) 3.539 6.395 ( 1.263 -2.985 -0.805) 3.340 6.855 ( -6.576 -4.188 -5.910) 9.783 7.109 ( 1.404 -0.062 -1.769) 2.259 7.240 ( 0.455 -5.610 -2.134) 6.020 7.497 ( -1.431 4.045 6.683) 7.942 7.850 ( 9.284 2.232 -6.701) 11.666 8.029 ( 2.035 9.440 3.833) 10.390 8.306 ( 7.916 2.287 -2.434) 8.592 8.474 ( 0.290 11.828 -2.968) 12.198 8.704 ( 2.343 -2.189 3.238) 4.557 9.593 ( 5.204 -0.618 -10.346) 11.597 10.117 ( -4.945 -2.428 3.631) 6.598 10.223 ( 0.918 1.341 1.483) 2.200 11.741 ( -0.937 4.055 3.840) 5.663 12.254 ( -4.010 0.510 5.448) 6.783 13.322 ( -18.951 5.302 14.731) 24.582 13.912 ( 5.083 -0.410 -1.798) 5.407 14.751 ( -2.273 -0.365 -4.386) 4.954 15.069 ( 3.570 5.819 -4.992) 8.458 ======================= Grid point 208 (90/251) ======================= q-point: ( 0.30 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.137 ( 3.242 -8.835 2.870) 9.839 1.349 ( 7.936 -7.120 4.701) 11.652 2.014 ( -3.581 2.031 4.908) 6.406 2.088 ( 4.241 3.515 -0.891) 5.580 2.271 ( 3.998 -4.492 -1.180) 6.128 2.396 ( -5.054 -1.046 -3.039) 5.989 2.717 ( -2.401 7.697 7.314) 10.886 2.874 ( -1.667 6.117 -0.554) 6.364 2.964 ( -3.242 -0.926 11.397) 11.885 3.526 ( -1.059 -1.484 1.405) 2.302 3.644 ( 0.826 6.632 7.196) 9.821 3.742 ( 1.440 6.091 -7.420) 9.708 4.057 ( -2.503 4.597 -1.462) 5.435 4.161 ( 1.922 2.602 -2.567) 4.130 4.290 ( 1.787 -3.070 -7.124) 7.960 4.454 ( 4.148 4.876 1.674) 6.617 4.597 ( -2.074 -2.124 -1.929) 3.540 4.987 ( -3.045 7.586 4.153) 9.169 5.336 ( 0.236 -5.508 -9.364) 10.866 5.445 ( -0.210 -9.159 4.759) 10.324 5.487 ( -4.148 -9.530 -4.452) 11.307 5.966 ( 0.805 6.975 0.184) 7.024 6.264 ( -0.704 3.467 -2.037) 4.082 6.504 ( 3.895 -4.425 -6.625) 8.868 6.854 ( 0.897 -0.912 -7.959) 8.061 7.176 ( -1.802 -6.507 -2.173) 7.093 7.314 ( 1.804 -0.467 -3.907) 4.329 7.469 ( 1.667 -0.861 5.318) 5.639 7.834 ( 3.649 3.260 -7.570) 9.014 7.865 ( 0.492 8.388 -0.396) 8.412 8.306 ( 3.686 9.456 2.543) 10.463 8.340 ( 4.011 -0.844 1.802) 4.477 8.785 ( 2.815 -2.834 7.240) 8.269 9.502 ( 4.646 14.037 -3.524) 15.200 10.134 ( -4.256 -5.686 7.417) 10.269 10.261 ( 0.742 -2.549 -4.548) 5.266 11.648 ( -2.121 6.024 7.110) 9.557 12.228 ( -4.353 -0.258 9.076) 10.069 13.142 ( -13.619 3.593 12.453) 18.800 13.959 ( 5.806 -0.658 -5.567) 8.071 14.729 ( -2.214 -0.563 -5.832) 6.263 14.993 ( 1.236 4.049 -4.638) 6.279 ======================= Grid point 209 (91/251) ======================= q-point: ( 0.40 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( 1.918 -10.353 -1.254) 10.603 1.503 ( 4.857 -4.147 1.914) 6.667 1.931 ( -6.051 3.113 5.034) 8.465 2.043 ( 2.957 2.365 -2.414) 4.490 2.334 ( -1.691 2.889 1.620) 3.719 2.427 ( 4.958 -5.352 -10.940) 13.149 2.516 ( -4.438 9.711 -6.547) 12.525 2.866 ( 2.295 -2.704 7.532) 8.325 2.983 ( -3.628 -1.880 13.281) 13.896 3.466 ( 1.645 8.802 -5.349) 10.430 3.540 ( 1.120 6.122 2.772) 6.813 3.638 ( -2.653 2.370 -1.433) 3.835 3.968 ( -1.544 3.576 -1.795) 4.289 4.150 ( -1.884 -0.509 0.684) 2.068 4.341 ( 0.560 -0.479 -1.695) 1.849 4.393 ( 3.738 3.640 0.480) 5.239 4.650 ( -1.208 -5.722 2.772) 6.472 4.878 ( 0.876 3.220 0.561) 3.384 5.341 ( -4.311 0.211 2.340) 4.910 5.521 ( -5.092 -1.217 -1.566) 5.465 5.619 ( 3.123 -2.324 -7.590) 8.530 5.949 ( 2.722 -6.366 -6.708) 9.640 6.261 ( 3.113 -3.504 -7.542) 8.880 6.575 ( 4.228 -2.031 -7.373) 8.738 6.891 ( 4.998 -1.959 -5.360) 7.586 7.183 ( -9.301 1.835 -2.699) 9.857 7.348 ( 1.936 -4.021 -5.821) 7.335 7.498 ( 4.480 2.840 -1.180) 5.434 7.758 ( 2.138 3.491 -4.390) 6.003 7.858 ( -0.414 -5.737 0.298) 5.760 8.167 ( 3.650 11.123 5.207) 12.812 8.419 ( 1.636 -5.351 5.374) 7.758 8.832 ( -0.901 1.100 6.492) 6.645 9.213 ( 2.110 19.434 3.309) 19.827 10.248 ( -1.475 -6.383 4.607) 8.009 10.299 ( 0.284 -2.715 -3.814) 4.690 11.539 ( -2.931 5.208 12.225) 13.608 12.241 ( -3.358 -2.844 9.175) 10.175 13.021 ( -8.602 2.810 10.458) 13.830 13.996 ( 5.749 0.096 -10.122) 11.641 14.729 ( -1.308 -2.125 -4.454) 5.106 14.928 ( 0.818 3.151 -5.085) 6.038 ======================= Grid point 210 (92/251) ======================= q-point: (-0.50 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( -0.056 -4.472 0.850) 4.552 1.598 ( 2.798 -3.413 0.256) 4.420 1.831 ( -5.358 4.348 5.747) 8.980 2.044 ( -0.454 -0.591 -0.430) 0.861 2.234 ( -3.912 4.143 0.874) 5.765 2.354 ( 4.396 4.949 -14.331) 15.786 2.510 ( 6.573 -0.021 -9.835) 11.829 2.970 ( -0.387 -4.712 3.503) 5.884 3.021 ( -2.827 -2.244 13.142) 13.628 3.301 ( -1.743 7.654 -4.821) 9.212 3.444 ( 5.272 4.483 -3.044) 7.560 3.623 ( -4.066 -1.363 6.799) 8.039 3.900 ( 0.444 2.948 0.812) 3.090 4.128 ( -0.096 1.407 -4.393) 4.614 4.335 ( -2.669 -1.716 5.992) 6.781 4.392 ( 3.976 0.882 -5.702) 7.007 4.777 ( -0.845 -7.077 6.139) 9.407 4.894 ( 3.360 -3.228 0.637) 4.703 5.270 ( -3.599 5.138 0.536) 6.296 5.445 ( 0.687 2.259 -0.301) 2.380 5.710 ( 2.263 -5.114 -3.171) 6.429 6.067 ( -2.415 -6.055 -6.672) 9.328 6.406 ( 3.688 -11.007 -15.329) 19.229 6.651 ( 3.921 -5.637 -8.160) 10.665 6.952 ( 5.893 4.390 -5.372) 9.102 7.031 ( -8.697 1.190 -3.439) 9.428 7.383 ( -5.082 -2.156 -9.267) 10.786 7.450 ( 5.512 5.981 -1.908) 8.355 7.768 ( 5.108 -1.944 -1.352) 5.631 7.957 ( 2.883 5.891 1.011) 6.636 8.002 ( -4.406 -0.711 4.526) 6.356 8.580 ( 1.067 -8.847 6.745) 11.176 8.689 ( -6.131 13.823 5.438) 16.070 8.972 ( 1.355 6.936 7.141) 10.047 10.295 ( -0.305 -0.084 0.667) 0.738 10.360 ( -0.679 -2.869 0.286) 2.962 11.491 ( -3.030 -0.306 14.338) 14.658 12.300 ( -1.241 -3.309 8.551) 9.253 12.954 ( -4.424 0.585 10.864) 11.744 14.010 ( 5.251 0.581 -13.851) 14.824 14.758 ( -0.434 -1.917 -1.955) 2.772 14.884 ( 1.549 1.402 -5.549) 5.929 ======================= Grid point 211 (93/251) ======================= q-point: (-0.40 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.441 ( -4.473 7.953 3.669) 9.835 1.607 ( -1.990 6.747 3.750) 7.971 1.776 ( -2.403 -2.743 4.715) 5.961 2.026 ( -0.102 1.880 -0.192) 1.893 2.203 ( 0.822 -2.377 -2.126) 3.293 2.309 ( 5.853 4.422 -11.049) 13.263 2.537 ( 5.835 -0.538 -6.378) 8.661 2.947 ( -6.339 3.060 0.789) 7.082 3.036 ( -4.467 -0.165 10.337) 11.262 3.261 ( 4.749 -2.155 -0.834) 5.282 3.472 ( 6.029 -2.557 -3.836) 7.590 3.613 ( -3.107 1.036 7.360) 8.056 3.894 ( 3.919 0.068 3.374) 5.172 4.113 ( 0.869 -0.918 -5.380) 5.527 4.369 ( 0.433 -1.288 -1.329) 1.901 4.421 ( -1.297 -4.955 -2.867) 5.870 4.856 ( 4.515 1.041 3.970) 6.101 5.028 ( 0.223 -7.773 3.226) 8.419 5.155 ( -2.898 2.947 -0.458) 4.159 5.473 ( 0.058 -3.636 2.172) 4.235 5.797 ( 0.696 -3.563 -0.495) 3.663 6.121 ( -1.298 -3.764 -0.719) 4.046 6.501 ( -9.033 2.006 -22.830) 24.634 6.754 ( -1.405 2.778 -12.469) 12.852 6.854 ( 7.198 -8.647 2.537) 11.534 7.073 ( -3.678 -6.981 -5.903) 9.854 7.356 ( 3.569 1.129 -7.413) 8.304 7.380 ( 4.856 5.715 -5.570) 9.342 7.713 ( -3.486 10.261 4.155) 11.606 7.912 ( 3.229 -3.598 6.681) 8.247 8.098 ( -3.185 -7.894 -2.181) 8.788 8.321 ( -5.494 17.885 -0.404) 18.714 8.740 ( -2.922 -5.171 7.340) 9.442 9.018 ( 1.977 -8.305 7.930) 11.652 10.269 ( -0.474 2.541 3.157) 4.081 10.367 ( -0.566 1.336 -1.427) 2.036 11.547 ( -2.711 -5.048 11.768) 13.088 12.343 ( -0.780 -0.279 7.842) 7.885 12.998 ( -0.329 -5.618 14.510) 15.564 14.011 ( 4.552 0.590 -15.578) 16.240 14.761 ( 0.332 0.979 -2.651) 2.845 14.886 ( 2.097 -0.391 -3.314) 3.941 ======================= Grid point 212 (94/251) ======================= q-point: (-0.30 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.214 ( -6.350 12.226 3.079) 14.117 1.381 ( -6.883 14.465 6.868) 17.430 1.813 ( -2.252 0.118 4.106) 4.684 1.965 ( 4.895 8.203 -0.808) 9.587 2.241 ( -0.679 -2.660 -2.933) 4.017 2.326 ( 4.523 -4.998 7.420) 10.024 2.572 ( 3.387 0.574 -1.478) 3.740 2.906 ( 0.178 -1.330 0.468) 1.421 3.026 ( -2.969 -0.961 7.581) 8.198 3.331 ( 4.852 -0.176 3.472) 5.969 3.563 ( 1.160 0.569 -1.926) 2.319 3.609 ( 4.654 -4.881 0.717) 6.783 3.957 ( 4.808 -2.461 3.346) 6.354 4.157 ( 0.775 -3.904 -5.113) 6.479 4.382 ( 0.124 -0.798 -4.844) 4.911 4.508 ( -2.885 -6.259 -5.011) 8.521 4.829 ( 7.647 7.548 1.966) 10.923 5.062 ( -4.952 -0.156 -5.334) 7.280 5.206 ( -3.328 -7.043 6.623) 10.225 5.542 ( -3.412 -4.873 0.493) 5.969 5.811 ( -1.091 3.735 -5.543) 6.773 6.135 ( -8.893 8.055 -4.155) 12.697 6.269 ( -0.690 -3.681 1.950) 4.223 6.682 ( -6.916 4.389 -11.141) 13.828 7.024 ( 4.818 -4.493 0.900) 6.649 7.214 ( 0.429 -3.394 -2.694) 4.354 7.351 ( 1.335 -0.476 -5.090) 5.284 7.379 ( 5.068 -5.792 -7.670) 10.866 7.535 ( -5.545 5.974 1.486) 8.286 7.970 ( -2.334 8.381 4.127) 9.629 8.025 ( 0.915 -3.451 2.823) 4.551 8.268 ( 0.576 -8.454 -5.434) 10.066 8.792 ( -6.482 -4.048 5.841) 9.619 9.242 ( 5.355 -11.302 1.304) 12.574 10.240 ( -1.210 0.384 6.131) 6.261 10.302 ( -0.096 5.028 -3.566) 6.165 11.639 ( -1.584 -4.709 6.975) 8.564 12.337 ( -1.850 0.627 7.381) 7.636 13.195 ( 1.994 -11.746 19.624) 22.958 14.003 ( 3.365 0.700 -15.950) 16.316 14.731 ( 1.879 2.410 -3.388) 4.563 14.894 ( 2.324 1.303 -0.795) 2.780 ======================= Grid point 213 (95/251) ======================= q-point: (-0.20 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( -5.385 12.342 4.734) 14.273 1.051 ( -9.642 15.421 9.144) 20.356 1.677 ( -0.095 13.878 15.689) 20.946 1.917 ( 2.454 -0.176 -1.337) 2.800 2.338 ( -2.132 -6.741 7.834) 10.552 2.513 ( 9.197 -7.885 5.136) 13.158 2.591 ( 3.356 -0.960 2.285) 4.172 2.902 ( 0.840 4.206 5.894) 7.289 3.085 ( 0.943 -4.896 4.615) 6.794 3.355 ( 3.492 2.107 7.019) 8.118 3.545 ( 1.494 1.275 3.870) 4.340 3.777 ( 5.907 -8.516 -9.006) 13.730 4.068 ( 6.051 -4.846 0.567) 7.773 4.225 ( -0.351 -4.377 -4.579) 6.344 4.385 ( -0.603 -0.771 -5.604) 5.689 4.553 ( -1.505 -1.536 -7.626) 7.923 4.728 ( 3.037 8.516 -2.379) 9.349 4.983 ( -13.206 0.468 -4.388) 13.924 5.236 ( -0.041 3.935 -2.193) 4.505 5.514 ( -3.655 8.065 -5.282) 10.310 5.702 ( -8.454 -7.432 -0.348) 11.261 6.036 ( 0.374 -0.869 4.445) 4.545 6.436 ( -4.483 -9.695 9.435) 14.252 6.478 ( -5.453 7.804 -8.957) 13.072 7.015 ( 6.117 11.272 3.186) 13.215 7.196 ( -5.322 -1.864 -7.593) 9.458 7.383 ( -7.921 3.941 -1.046) 8.909 7.421 ( 1.727 -2.752 1.048) 3.413 7.504 ( 4.074 -4.698 3.319) 7.049 7.991 ( 3.963 -6.343 4.061) 8.511 8.124 ( 0.756 -6.808 -6.282) 9.295 8.442 ( 3.351 -11.295 -4.493) 12.610 8.779 ( -7.652 0.593 3.216) 8.321 9.467 ( 6.592 -7.320 -6.416) 11.756 10.185 ( 0.925 7.105 -4.283) 8.348 10.258 ( -4.125 -3.005 7.467) 9.045 11.709 ( 0.335 -2.730 3.502) 4.453 12.333 ( -2.441 -0.645 5.696) 6.230 13.487 ( 0.326 -14.836 20.957) 25.679 13.980 ( -0.003 0.329 -14.822) 14.825 14.716 ( 6.476 1.458 -1.618) 6.833 14.875 ( 4.057 3.225 1.214) 5.323 ======================= Grid point 214 (96/251) ======================= q-point: (-0.10 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.727 ( -3.160 9.633 13.554) 16.926 0.816 ( -0.388 7.009 15.340) 16.869 1.479 ( -0.405 11.127 25.753) 28.057 1.952 ( 3.066 -0.869 -1.546) 3.542 2.431 ( -3.923 -4.800 7.746) 9.921 2.641 ( 1.983 -3.353 0.916) 4.002 2.750 ( 12.000 -2.181 8.086) 14.633 2.817 ( -0.627 3.605 6.990) 7.890 3.193 ( 0.904 -4.734 5.032) 6.967 3.340 ( 3.217 3.895 10.556) 11.703 3.559 ( 0.872 -0.344 5.836) 5.911 3.940 ( 4.173 -6.723 -8.557) 11.655 4.215 ( 7.378 -5.965 -5.347) 10.891 4.282 ( 0.417 -1.113 -2.966) 3.195 4.371 ( 1.094 1.472 -3.252) 3.734 4.510 ( -1.173 1.655 -11.552) 11.729 4.589 ( -2.405 4.717 -12.081) 13.190 4.863 ( -15.485 -1.589 3.123) 15.877 5.105 ( 2.198 7.899 -10.200) 13.087 5.395 ( -1.992 3.119 2.732) 4.600 5.806 ( -11.437 -9.468 2.865) 15.122 6.070 ( -0.853 0.328 3.730) 3.840 6.336 ( -0.692 0.229 -5.042) 5.095 6.531 ( -5.083 -0.630 7.400) 8.999 6.886 ( 1.075 4.056 2.089) 4.687 7.123 ( -3.725 2.693 -3.875) 6.012 7.291 ( -7.191 2.474 0.764) 7.643 7.491 ( 7.816 -3.911 1.618) 8.888 7.637 ( 2.199 -3.020 7.760) 8.613 8.116 ( 0.388 -5.412 6.678) 8.605 8.256 ( 4.773 -5.505 -10.288) 12.607 8.665 ( -0.781 0.633 -5.058) 5.157 8.720 ( 0.330 -11.568 -3.614) 12.124 9.491 ( 3.518 7.647 -12.303) 14.907 10.064 ( -4.485 4.857 3.214) 7.351 10.315 ( -1.145 -4.441 4.170) 6.199 11.759 ( 1.609 -1.494 2.952) 3.679 12.330 ( -2.655 -0.161 1.364) 2.989 13.738 ( -3.619 -10.009 12.057) 16.082 13.927 ( -8.719 -0.031 -8.623) 12.263 14.766 ( 2.870 -0.030 -2.072) 3.540 14.925 ( 19.227 -2.177 3.140) 19.603 ======================= Grid point 216 (97/251) ======================= q-point: ( 0.10 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.911 ( 13.280 0.000 10.842) 17.144 1.084 ( 11.706 0.000 19.539) 22.777 1.586 ( 8.541 0.000 26.554) 27.894 2.038 ( 4.546 0.000 -1.126) 4.683 2.406 ( -5.208 -0.000 4.577) 6.933 2.548 ( -12.885 -0.000 5.719) 14.097 2.759 ( -0.258 -0.000 0.600) 0.653 3.058 ( 4.666 0.000 8.978) 10.118 3.197 ( -1.728 -0.000 -1.363) 2.201 3.388 ( -2.854 -0.000 5.775) 6.442 3.690 ( -0.066 -0.000 17.851) 17.851 4.102 ( 6.543 0.000 -5.319) 8.432 4.162 ( -2.754 -0.000 0.570) 2.812 4.346 ( 0.860 0.000 -13.315) 13.343 4.396 ( 2.713 0.000 -7.267) 7.757 4.429 ( 4.297 0.000 -2.790) 5.123 4.543 ( 2.396 0.000 -1.688) 2.931 4.817 ( 7.036 0.000 -9.484) 11.810 4.968 ( 0.674 0.000 -14.691) 14.707 5.309 ( -3.557 -0.000 -0.601) 3.607 5.753 ( -2.228 -0.000 10.087) 10.330 5.969 ( -6.009 -0.000 2.969) 6.703 6.376 ( -6.997 -0.000 6.116) 9.293 6.409 ( 3.716 0.000 -0.254) 3.724 6.782 ( -6.797 -0.000 2.903) 7.391 7.097 ( -6.756 -0.000 3.459) 7.590 7.144 ( 6.259 0.000 -1.948) 6.555 7.611 ( -6.070 -0.000 11.023) 12.584 7.883 ( 14.755 0.000 -8.483) 17.020 8.224 ( -0.348 -0.000 7.922) 7.930 8.366 ( 5.380 0.000 -7.171) 8.965 8.618 ( 3.373 0.000 -2.218) 4.037 8.935 ( 3.901 0.000 -11.494) 12.138 9.349 ( 2.286 0.000 -14.763) 14.939 9.945 ( -0.034 -0.000 5.825) 5.825 10.381 ( -0.379 -0.000 2.944) 2.968 11.817 ( -0.736 -0.000 4.670) 4.728 12.231 ( -4.506 -0.000 -2.238) 5.031 13.441 ( -25.326 -0.000 15.770) 29.834 13.924 ( 5.135 0.000 3.329) 6.119 14.729 ( -2.717 -0.000 -1.412) 3.062 15.259 ( 2.225 0.000 -12.374) 12.572 ======================= Grid point 217 (98/251) ======================= q-point: ( 0.20 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.043 ( 7.707 -0.451 11.424) 13.788 1.170 ( 15.631 1.051 14.447) 21.311 1.823 ( 9.018 -10.416 19.583) 23.944 2.080 ( 4.462 -0.863 -0.876) 4.628 2.296 ( -7.111 5.517 3.969) 9.836 2.495 ( -10.302 -0.739 0.873) 10.365 2.752 ( -2.839 -0.892 3.086) 4.288 3.048 ( -2.836 4.282 9.791) 11.056 3.148 ( 1.150 4.531 -2.410) 5.260 3.400 ( -4.918 -3.374 5.752) 8.286 3.693 ( -4.965 0.175 12.453) 13.407 3.984 ( 4.398 8.047 0.444) 9.181 4.244 ( 1.859 1.058 -11.289) 11.490 4.276 ( -1.276 4.602 -6.999) 8.473 4.412 ( 5.837 3.352 -5.602) 8.757 4.463 ( 5.214 -2.605 -7.017) 9.122 4.583 ( 3.581 -1.761 1.371) 4.219 4.829 ( 6.015 -2.457 -1.618) 6.696 5.064 ( 3.064 -8.221 -16.222) 18.443 5.300 ( -5.167 -2.904 -1.746) 6.179 5.631 ( -0.534 13.009 11.050) 17.077 5.994 ( -4.716 -5.626 3.119) 7.976 6.343 ( -0.683 -1.282 3.535) 3.822 6.450 ( 0.662 2.170 5.601) 6.043 6.722 ( -6.706 -1.634 -0.990) 6.973 7.120 ( -1.666 -4.286 2.202) 5.098 7.174 ( 4.884 0.447 -2.092) 5.332 7.551 ( -4.649 2.863 8.640) 10.220 7.943 ( 8.709 2.880 -9.654) 13.317 8.195 ( 2.197 4.511 6.983) 8.599 8.397 ( 6.951 0.890 -4.298) 8.221 8.622 ( 0.150 3.718 -0.956) 3.842 8.784 ( 5.285 10.183 -7.891) 13.925 9.482 ( 2.584 -10.565 -13.399) 17.257 10.021 ( 1.328 -5.114 0.644) 5.323 10.325 ( -0.416 5.918 4.343) 7.352 11.791 ( -2.302 2.317 4.428) 5.502 12.218 ( -3.787 -2.045 -0.059) 4.304 13.247 ( -23.969 2.924 18.840) 30.627 13.965 ( 5.751 0.609 2.552) 6.321 14.710 ( -3.399 -0.766 -2.293) 4.171 15.182 ( -0.098 5.499 -10.553) 11.900 ======================= Grid point 218 (99/251) ======================= q-point: ( 0.30 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( 6.909 -0.726 10.663) 12.726 1.352 ( 14.764 -3.788 6.034) 16.393 2.022 ( -1.590 -0.281 8.484) 8.636 2.132 ( 1.924 -2.545 3.572) 4.789 2.211 ( -0.163 -2.345 2.058) 3.125 2.375 ( -6.653 4.611 -7.215) 10.843 2.775 ( -3.069 -1.573 8.367) 9.050 2.911 ( -8.583 5.732 5.054) 11.492 3.059 ( 2.797 6.961 2.425) 7.884 3.433 ( -7.808 -4.600 6.174) 10.965 3.688 ( -2.696 -1.051 7.507) 8.045 3.877 ( 1.867 7.707 -2.389) 8.282 4.139 ( -1.850 6.442 -1.152) 6.801 4.234 ( 3.778 0.162 -12.252) 12.823 4.307 ( 2.663 8.021 -9.502) 12.716 4.522 ( 3.503 -0.753 -2.554) 4.400 4.617 ( 6.366 2.915 -0.129) 7.003 5.008 ( 0.561 -7.428 5.587) 9.312 5.197 ( 3.041 -7.565 -13.989) 16.191 5.320 ( -4.274 -3.833 3.300) 6.622 5.431 ( 1.688 7.674 2.245) 8.172 6.037 ( -2.446 -0.365 2.940) 3.842 6.347 ( -3.195 6.247 6.055) 9.268 6.421 ( 2.680 -5.093 -0.963) 5.835 6.774 ( -1.659 -6.729 -2.899) 7.512 7.131 ( 1.943 2.000 -1.590) 3.210 7.279 ( 5.294 -6.486 -1.564) 8.517 7.492 ( -2.123 1.955 6.712) 7.307 7.890 ( 2.123 4.859 -8.685) 10.175 8.088 ( 2.361 11.144 -3.325) 11.867 8.400 ( 4.521 3.366 -2.165) 6.038 8.493 ( 3.814 8.116 1.487) 9.090 8.773 ( 4.333 -2.146 3.058) 5.721 9.629 ( 4.268 -3.317 -10.570) 11.872 10.064 ( -3.442 0.039 3.996) 5.274 10.250 ( 1.874 1.766 0.789) 2.693 11.724 ( -3.019 3.660 4.040) 6.232 12.220 ( -2.950 -0.169 5.869) 6.571 13.065 ( -20.147 1.117 16.250) 25.908 14.005 ( 6.274 0.440 0.199) 6.292 14.689 ( -3.343 -0.518 -4.032) 5.263 15.069 ( 0.052 4.875 -8.103) 9.457 ======================= Grid point 219 (100/251) ======================= q-point: ( 0.40 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( 6.288 -4.791 4.535) 9.114 1.517 ( 11.227 -2.084 2.527) 11.695 1.928 ( -8.963 3.050 5.948) 11.181 2.123 ( 0.343 5.074 -3.569) 6.213 2.300 ( -6.008 -3.668 1.913) 7.294 2.342 ( 5.383 -5.954 -6.602) 10.393 2.648 ( -4.119 9.451 -3.969) 11.047 2.885 ( -1.442 -2.481 11.864) 12.206 2.971 ( -0.190 4.317 8.136) 9.213 3.464 ( -8.116 -4.492 7.064) 11.659 3.659 ( -0.763 5.341 0.679) 5.438 3.740 ( 1.064 7.638 -7.487) 10.749 4.023 ( -0.917 4.550 -1.919) 5.023 4.147 ( -2.500 4.482 -3.212) 6.054 4.316 ( 4.604 -3.633 -6.166) 8.510 4.516 ( 2.274 4.475 2.405) 5.566 4.607 ( 3.193 1.354 0.351) 3.486 4.975 ( -0.690 6.802 3.173) 7.538 5.301 ( 0.435 -3.480 -2.182) 4.130 5.420 ( -0.994 -3.483 -4.201) 5.547 5.445 ( -1.433 -10.383 -7.499) 12.888 5.991 ( 1.105 3.791 2.271) 4.556 6.262 ( 0.898 1.820 1.380) 2.454 6.542 ( 3.431 -5.033 -3.432) 6.992 6.888 ( 5.101 -4.998 -2.714) 7.639 7.098 ( -5.315 0.416 -0.846) 5.398 7.372 ( 4.735 1.765 -5.205) 7.254 7.518 ( 3.509 -3.348 1.511) 5.080 7.819 ( 0.164 1.391 -2.463) 2.834 7.881 ( 1.389 9.834 -8.850) 13.303 8.384 ( 4.035 5.045 0.496) 6.479 8.393 ( 2.490 3.978 4.718) 6.654 8.847 ( 1.284 -0.720 6.333) 6.502 9.541 ( 1.705 13.883 -2.984) 14.302 10.107 ( -2.340 -7.406 6.488) 10.120 10.263 ( 1.509 -1.099 -4.231) 4.625 11.632 ( -3.057 5.084 6.968) 9.151 12.208 ( -2.745 -0.110 10.554) 10.905 12.959 ( -14.501 -1.224 11.164) 18.342 14.041 ( 6.073 0.780 -4.505) 7.602 14.675 ( -1.905 -1.519 -4.129) 4.794 14.982 ( 0.173 3.664 -6.750) 7.683 ======================= Grid point 220 (101/251) ======================= q-point: ( 0.50 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( 3.689 -6.825 0.345) 7.766 1.610 ( 7.720 -0.296 0.886) 7.777 1.843 ( -7.096 1.023 4.398) 8.411 2.029 ( -3.595 2.512 -2.182) 4.898 2.277 ( -4.577 2.083 0.808) 5.093 2.455 ( 3.828 1.665 -12.141) 12.838 2.508 ( 5.001 -0.215 -5.331) 7.313 2.925 ( 1.568 -0.490 7.099) 7.286 2.967 ( -4.258 -3.021 12.765) 13.791 3.459 ( -1.950 5.488 1.213) 5.949 3.530 ( -3.348 3.447 -0.598) 4.842 3.594 ( -0.158 5.510 -6.472) 8.501 3.956 ( 0.280 2.950 0.896) 3.096 4.100 ( -4.162 -1.712 0.343) 4.514 4.357 ( 1.310 2.958 0.247) 3.244 4.463 ( 5.175 2.902 -1.099) 6.034 4.647 ( -1.208 -5.153 5.052) 7.316 4.889 ( 0.312 1.892 -2.412) 3.082 5.341 ( 3.683 1.530 4.583) 6.076 5.437 ( -5.378 -1.760 -4.042) 6.954 5.565 ( -2.723 -8.349 -16.185) 18.414 5.968 ( 0.337 0.415 3.050) 3.097 6.316 ( 6.808 -4.700 -5.167) 9.754 6.619 ( 5.425 -1.293 -7.664) 9.479 7.009 ( -3.288 2.497 -1.135) 4.282 7.028 ( 5.203 -3.174 -2.340) 6.529 7.330 ( -0.505 2.663 -8.567) 8.986 7.546 ( 2.060 2.336 -2.851) 4.222 7.767 ( 0.136 0.376 -4.142) 4.162 7.892 ( 5.247 -3.865 0.143) 6.518 8.227 ( 1.358 12.653 4.826) 13.610 8.460 ( 1.382 -5.873 4.677) 7.633 8.802 ( -5.381 5.196 4.336) 8.646 9.245 ( -0.430 18.117 4.506) 18.674 10.246 ( -1.092 -6.753 5.133) 8.552 10.293 ( 0.998 -2.193 -4.313) 4.940 11.533 ( -3.387 4.491 11.985) 13.240 12.243 ( -1.040 -3.377 10.206) 10.800 12.910 ( -9.469 -1.603 9.057) 13.201 14.051 ( 5.301 1.511 -10.360) 11.736 14.705 ( 0.075 -3.114 -1.946) 3.673 14.916 ( 0.484 2.564 -6.392) 6.904 ======================= Grid point 221 (102/251) ======================= q-point: (-0.40 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( -0.666 -1.653 1.819) 2.547 1.661 ( 4.694 0.446 -0.031) 4.715 1.765 ( -4.770 2.677 4.299) 6.957 1.991 ( -4.427 -1.997 -0.059) 4.857 2.208 ( 0.680 2.459 -2.081) 3.292 2.415 ( 7.970 2.382 -13.971) 16.260 2.562 ( 3.473 0.119 -5.196) 6.251 2.949 ( -3.804 0.856 3.463) 5.215 3.008 ( -3.115 -2.136 10.079) 10.763 3.299 ( 2.673 5.956 -2.708) 7.068 3.492 ( 0.907 -0.212 -5.097) 5.181 3.570 ( -3.579 -2.265 5.647) 7.059 3.933 ( 1.991 0.933 4.639) 5.134 4.104 ( -1.002 -0.657 -2.942) 3.177 4.308 ( -2.773 0.649 6.032) 6.670 4.451 ( 5.122 2.714 -5.752) 8.167 4.774 ( -2.613 -8.327 7.095) 11.248 4.910 ( -1.314 -4.631 -2.967) 5.654 5.281 ( 3.709 7.925 2.484) 9.095 5.458 ( 1.207 -2.176 2.395) 3.454 5.665 ( -3.037 -9.544 -16.748) 19.515 5.975 ( -5.876 -3.611 1.291) 7.016 6.437 ( 6.225 -1.009 -14.403) 15.723 6.721 ( 9.289 -8.449 -5.879) 13.865 6.837 ( -8.936 7.502 -9.041) 14.761 7.097 ( 6.591 6.254 -3.927) 9.898 7.314 ( 2.353 -4.936 -5.164) 7.521 7.504 ( 2.189 3.537 -2.948) 5.098 7.829 ( 2.661 -3.221 0.375) 4.195 7.948 ( -2.328 0.122 0.002) 2.331 8.000 ( -0.133 10.537 4.792) 11.576 8.572 ( -5.000 9.144 -2.478) 10.712 8.643 ( -1.147 -3.784 12.363) 12.980 9.002 ( -1.381 6.544 7.768) 10.250 10.298 ( 0.077 0.208 2.098) 2.109 10.347 ( -0.812 -2.635 -0.797) 2.871 11.491 ( -3.552 -0.596 13.713) 14.178 12.323 ( -0.102 -3.089 8.589) 9.128 12.914 ( -5.038 -4.107 10.680) 12.503 14.038 ( 4.423 1.494 -14.607) 15.335 14.760 ( 1.268 -1.836 -0.511) 2.289 14.883 ( 0.926 0.282 -5.969) 6.047 ======================= Grid point 222 (103/251) ======================= q-point: (-0.30 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( -4.349 10.097 2.825) 11.351 1.577 ( -4.974 10.698 5.861) 13.173 1.781 ( 2.895 -3.460 0.690) 4.564 2.022 ( -0.696 -3.185 1.594) 3.629 2.212 ( 3.349 -1.477 -10.681) 11.290 2.396 ( 6.994 5.945 -0.625) 9.200 2.575 ( 0.869 -1.349 -3.359) 3.722 2.870 ( -2.785 0.550 0.371) 2.863 3.020 ( -2.640 0.185 9.542) 9.902 3.332 ( 4.896 -3.790 -2.381) 6.633 3.531 ( 1.347 -3.104 -5.265) 6.258 3.603 ( 0.145 -1.777 8.179) 8.371 3.969 ( 3.152 -1.331 5.322) 6.327 4.102 ( 0.246 -0.751 -2.831) 2.939 4.328 ( -3.632 -4.269 1.529) 5.810 4.431 ( 2.350 1.435 -5.355) 6.021 4.889 ( -3.937 -5.361 -0.795) 6.699 4.985 ( -5.115 -6.338 2.405) 8.492 5.178 ( 6.812 7.974 1.762) 10.634 5.505 ( 1.656 -0.866 5.562) 5.868 5.782 ( -2.123 -6.061 -2.709) 6.970 6.027 ( -7.596 -8.063 -8.361) 13.879 6.343 ( -0.383 9.579 -18.300) 20.659 6.647 ( -4.608 2.932 -12.235) 13.399 6.973 ( 0.326 1.753 -2.579) 3.136 7.037 ( 8.227 -13.096 -6.644) 16.832 7.395 ( 1.638 4.454 -5.185) 7.029 7.456 ( 6.415 0.762 -1.622) 6.660 7.684 ( -0.948 12.322 1.318) 12.428 7.946 ( -3.238 -0.109 8.428) 9.029 8.055 ( -1.119 -10.868 0.103) 10.926 8.260 ( -1.553 15.357 1.358) 15.495 8.730 ( -1.189 -1.215 6.044) 6.278 9.073 ( 1.717 -10.966 6.557) 12.892 10.274 ( -0.771 2.539 4.682) 5.381 10.346 ( -0.983 1.290 -2.750) 3.193 11.544 ( -2.978 -5.117 11.234) 12.699 12.349 ( -2.185 0.718 7.285) 7.640 13.037 ( -1.132 -9.716 14.999) 17.907 14.015 ( 2.934 1.324 -16.398) 16.710 14.772 ( 2.188 1.078 -3.305) 4.108 14.900 ( 1.155 -1.547 -2.319) 3.017 ======================= Grid point 223 (104/251) ======================= q-point: (-0.20 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( -3.780 12.600 2.334) 13.360 1.288 ( -6.971 16.044 6.941) 18.820 1.850 ( 4.565 0.200 3.966) 6.050 2.022 ( 3.475 6.949 -1.989) 8.020 2.228 ( -0.933 -3.368 2.133) 4.094 2.445 ( 5.999 -5.389 6.243) 10.198 2.590 ( -0.217 -1.501 2.536) 2.955 2.937 ( 2.890 -4.950 -3.116) 6.524 3.004 ( -3.705 -0.217 9.268) 9.984 3.423 ( 5.589 -0.886 0.816) 5.717 3.568 ( -0.465 -1.075 2.897) 3.124 3.687 ( 4.958 -4.975 -0.661) 7.055 4.045 ( 4.587 -3.148 3.543) 6.595 4.134 ( -1.037 -3.632 -4.211) 5.657 4.352 ( -1.215 0.003 -5.468) 5.602 4.447 ( -2.795 -4.714 -4.065) 6.823 4.861 ( -9.716 1.109 -9.186) 13.417 5.007 ( 6.683 7.948 4.547) 11.336 5.168 ( -2.260 -5.507 2.519) 6.464 5.531 ( -1.040 -0.517 4.422) 4.572 5.723 ( -6.776 9.967 -7.305) 14.093 6.024 ( -3.098 -1.188 -4.812) 5.845 6.272 ( 0.472 -5.224 0.936) 5.328 6.543 ( -5.014 4.776 -10.770) 12.804 6.989 ( -2.269 -8.338 -13.577) 16.094 7.223 ( -2.655 8.187 2.862) 9.071 7.355 ( 2.706 -9.106 -0.356) 9.506 7.446 ( -3.539 6.526 -0.850) 7.473 7.531 ( 12.120 3.088 -5.452) 13.644 7.943 ( -4.139 -2.004 7.432) 8.740 8.101 ( 7.403 2.806 2.395) 8.272 8.264 ( 0.522 -10.632 -1.790) 10.794 8.731 ( -3.453 -0.218 5.201) 6.246 9.336 ( 6.381 -12.683 -0.876) 14.225 10.226 ( -3.923 1.737 7.767) 8.873 10.286 ( 0.168 4.158 -4.939) 6.459 11.642 ( -1.276 -5.410 6.867) 8.834 12.318 ( -3.921 0.761 7.168) 8.205 13.267 ( -1.743 -12.981 18.709) 22.838 13.971 ( 0.185 1.856 -15.712) 15.822 14.766 ( 3.428 0.783 -5.086) 6.183 14.928 ( 2.408 -0.316 0.473) 2.474 ======================= Grid point 224 (105/251) ======================= q-point: (-0.10 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.921 ( -0.675 9.659 7.649) 12.339 1.002 ( -0.568 13.083 10.974) 17.086 1.784 ( 5.500 13.470 15.874) 21.533 1.971 ( 5.434 0.346 -2.877) 6.159 2.312 ( -4.843 -5.821 8.692) 11.528 2.563 ( -0.840 -5.230 -4.660) 7.056 2.734 ( 7.670 -8.500 11.830) 16.463 2.915 ( -2.223 5.185 8.830) 10.478 3.091 ( -0.844 -6.835 -1.105) 6.975 3.439 ( 2.888 2.883 5.312) 6.698 3.599 ( 3.320 -0.035 9.568) 10.128 3.831 ( 3.696 -7.136 -6.731) 10.483 4.157 ( 6.077 -3.906 -6.710) 9.860 4.195 ( -1.432 -5.644 0.381) 5.835 4.332 ( -2.511 -2.156 -8.068) 8.721 4.494 ( -1.947 -2.800 -5.705) 6.646 4.690 ( -6.901 7.623 -9.375) 13.915 4.875 ( 3.215 10.580 5.177) 12.210 5.220 ( -0.013 2.233 -6.213) 6.603 5.470 ( -1.975 6.735 -1.977) 7.291 5.557 ( -10.097 -6.047 1.347) 11.846 6.058 ( -0.411 -2.279 5.325) 5.807 6.387 ( -1.046 6.458 -9.095) 11.204 6.399 ( -3.561 -7.804 6.372) 10.686 6.999 ( -7.854 6.922 -4.387) 11.351 7.106 ( -0.248 -2.086 -3.631) 4.195 7.279 ( -4.187 5.264 -2.888) 7.320 7.479 ( 1.652 -4.357 4.313) 6.349 7.659 ( 13.514 -2.174 1.031) 13.727 8.020 ( -1.473 -6.404 5.173) 8.363 8.186 ( 8.507 -4.401 -5.108) 10.855 8.472 ( 2.092 -12.686 -3.770) 13.398 8.699 ( -3.387 1.719 2.709) 4.666 9.540 ( 6.053 -3.369 -8.567) 11.017 10.174 ( -1.918 6.426 -1.315) 6.834 10.219 ( -2.708 -2.994 5.690) 6.977 11.729 ( 0.441 -3.638 3.661) 5.179 12.300 ( -4.055 -0.718 5.314) 6.723 13.495 ( -9.195 -12.345 17.786) 23.522 13.899 ( -1.490 2.314 -10.187) 10.552 14.778 ( 1.547 -0.070 -4.511) 4.769 14.983 ( 8.095 -2.768 0.328) 8.561 ======================= Grid point 227 (106/251) ======================= q-point: ( 0.20 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( 10.617 0.000 8.673) 13.709 1.323 ( 9.879 0.000 16.840) 19.524 1.839 ( 10.916 0.000 19.083) 21.984 2.107 ( 4.138 0.000 0.520) 4.170 2.341 ( -15.079 -0.000 4.276) 15.674 2.345 ( -3.532 -0.000 2.566) 4.366 2.741 ( -1.023 -0.000 -2.200) 2.426 3.058 ( -8.736 -0.000 7.309) 11.390 3.210 ( 3.537 0.000 0.581) 3.585 3.327 ( -8.053 -0.000 8.987) 12.067 3.662 ( -7.329 -0.000 6.105) 9.538 4.130 ( -5.593 -0.000 1.190) 5.718 4.182 ( 5.508 0.000 -6.641) 8.627 4.317 ( 2.263 0.000 -15.323) 15.489 4.479 ( 10.578 0.000 0.375) 10.584 4.507 ( 5.655 0.000 2.259) 6.089 4.566 ( 2.136 0.000 -0.757) 2.266 4.919 ( 11.396 0.000 -17.690) 21.042 4.958 ( 4.668 0.000 -10.406) 11.405 5.223 ( -6.187 -0.000 -6.019) 8.632 5.806 ( 2.733 0.000 13.208) 13.488 5.892 ( -5.235 -0.000 6.037) 7.991 6.305 ( -6.633 -0.000 10.672) 12.566 6.491 ( 6.702 0.000 0.232) 6.706 6.693 ( -6.251 -0.000 4.723) 7.835 7.031 ( -3.047 -0.000 4.334) 5.298 7.238 ( 6.060 0.000 -2.288) 6.478 7.550 ( -5.682 -0.000 8.304) 10.061 8.039 ( 9.593 0.000 -8.694) 12.946 8.242 ( -1.417 -0.000 9.121) 9.231 8.428 ( 5.195 0.000 -5.367) 7.470 8.673 ( 3.703 0.000 -1.257) 3.911 8.954 ( 3.787 0.000 -11.145) 11.771 9.327 ( 2.355 0.000 -15.619) 15.795 10.004 ( 5.751 0.000 1.151) 5.865 10.384 ( -0.641 -0.000 3.725) 3.780 11.799 ( -3.940 -0.000 6.071) 7.237 12.154 ( -4.304 -0.000 -1.893) 4.702 13.130 ( -23.149 -0.000 22.926) 32.580 14.017 ( 5.002 0.000 2.384) 5.540 14.672 ( -3.525 -0.000 -1.570) 3.859 15.195 ( -2.897 -0.000 -13.238) 13.551 ======================= Grid point 228 (107/251) ======================= q-point: ( 0.30 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.207 ( 8.010 1.707 11.138) 13.825 1.435 ( 11.353 -1.649 10.580) 15.606 1.994 ( 3.128 -5.531 12.700) 14.202 2.111 ( -4.177 2.888 8.028) 9.499 2.202 ( -2.892 0.879 -5.245) 6.054 2.364 ( -4.638 -0.297 -0.949) 4.743 2.735 ( 0.247 -1.027 2.670) 2.871 2.947 ( -11.027 4.552 4.075) 12.606 3.190 ( 2.103 4.882 2.274) 5.782 3.305 ( -9.234 -3.061 9.551) 13.633 3.632 ( -6.050 -2.300 3.441) 7.330 4.000 ( -4.931 6.341 0.237) 8.036 4.211 ( -1.777 1.887 -13.917) 14.157 4.250 ( 3.543 3.331 -2.330) 5.393 4.471 ( 5.064 6.984 -5.764) 10.375 4.551 ( 7.096 1.148 -8.230) 10.927 4.700 ( 9.828 -3.986 5.191) 11.808 4.916 ( 5.142 -0.959 -3.898) 6.524 5.078 ( 5.617 -6.471 -11.830) 14.608 5.214 ( -2.735 -4.653 -6.700) 8.603 5.698 ( 2.776 14.194 12.526) 19.133 5.940 ( -3.627 -6.222 4.638) 8.566 6.314 ( -6.111 -3.194 10.463) 12.531 6.508 ( 1.839 6.560 6.795) 9.622 6.647 ( -0.968 -4.068 -0.917) 4.281 7.143 ( 3.162 -9.559 3.639) 10.706 7.236 ( 3.445 3.592 -1.563) 5.216 7.510 ( -4.084 1.255 6.560) 7.828 8.013 ( 5.342 6.864 -7.227) 11.308 8.223 ( -0.903 3.751 0.602) 3.905 8.476 ( 3.396 0.367 -1.675) 3.805 8.647 ( 4.378 4.877 -0.997) 6.629 8.836 ( 4.509 7.011 -7.165) 10.992 9.477 ( 2.643 -12.087 -12.354) 17.484 10.067 ( 4.688 -0.309 -1.690) 4.993 10.337 ( -0.053 4.815 4.486) 6.582 11.753 ( -4.643 2.201 5.403) 7.456 12.164 ( -3.145 -3.885 0.312) 5.008 12.972 ( -20.723 2.555 23.233) 31.237 14.055 ( 4.590 0.099 1.217) 4.750 14.648 ( -3.265 -0.455 -2.199) 3.962 15.118 ( -2.035 3.120 -12.059) 12.621 ======================= Grid point 229 (108/251) ======================= q-point: ( 0.40 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.264 ( 7.171 0.250 10.181) 12.455 1.579 ( 10.581 -2.721 4.079) 11.662 1.953 ( -8.410 6.485 9.643) 14.345 2.120 ( -5.954 -5.562 4.028) 9.089 2.242 ( 1.665 0.428 -4.627) 4.936 2.274 ( -0.895 -0.035 -7.589) 7.642 2.750 ( -5.623 6.389 -1.140) 8.587 2.821 ( -2.121 -3.590 10.881) 11.652 3.102 ( 0.666 6.295 4.103) 7.543 3.323 ( -8.054 -4.383 8.780) 12.696 3.652 ( -4.693 -2.949 2.536) 6.095 3.844 ( -4.910 6.133 -2.097) 8.131 4.090 ( -3.197 4.892 -4.653) 7.470 4.256 ( 2.963 4.049 -9.193) 10.473 4.326 ( 4.869 6.552 -5.964) 10.110 4.567 ( 3.268 0.759 -3.611) 4.929 4.724 ( 5.681 5.250 -2.006) 7.992 5.031 ( -0.274 -2.988 5.433) 6.206 5.209 ( 4.656 -6.029 -13.078) 15.135 5.307 ( 2.893 -5.998 1.579) 6.844 5.494 ( 4.440 11.106 3.736) 12.531 6.009 ( -2.066 -2.019 2.408) 3.761 6.298 ( -5.939 1.250 7.546) 9.684 6.471 ( 2.113 -2.901 5.828) 6.845 6.778 ( 2.682 -7.786 -0.358) 8.243 7.156 ( 1.805 5.764 -0.230) 6.044 7.373 ( 6.188 -7.408 -0.478) 9.664 7.483 ( -1.289 -1.324 3.973) 4.382 7.898 ( 2.098 7.357 -4.759) 9.009 8.061 ( -1.021 11.179 -11.068) 15.764 8.423 ( 0.264 2.827 -3.310) 4.361 8.595 ( 6.037 8.455 4.527) 11.332 8.846 ( 3.610 -2.503 2.128) 4.881 9.643 ( 1.856 -3.786 -9.418) 10.319 10.044 ( -0.687 2.222 3.465) 4.174 10.281 ( 1.786 2.185 -0.299) 2.838 11.684 ( -3.683 2.773 4.337) 6.330 12.204 ( -2.010 -1.492 6.401) 6.873 12.837 ( -16.572 -0.314 18.553) 24.879 14.087 ( 4.148 0.300 -1.655) 4.476 14.632 ( -1.951 -0.912 -2.793) 3.526 15.029 ( -0.758 3.309 -9.638) 10.218 ======================= Grid point 230 (109/251) ======================= q-point: ( 0.50 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.347 ( 6.000 -2.102 5.500) 8.407 1.691 ( 8.602 -0.543 1.399) 8.732 1.805 ( -8.024 3.337 6.785) 11.026 2.072 ( -5.607 5.483 -2.165) 8.135 2.209 ( -3.852 -4.226 -3.656) 6.787 2.390 ( 2.491 -6.411 -4.059) 7.986 2.598 ( -0.634 5.305 -5.527) 7.688 2.903 ( -1.481 -3.449 12.357) 12.915 3.010 ( 1.727 5.501 5.153) 7.733 3.355 ( -8.548 -4.569 8.002) 12.568 3.627 ( -2.629 2.953 -1.595) 4.263 3.709 ( -2.049 6.435 -6.099) 9.100 3.997 ( -2.644 2.297 -1.402) 3.772 4.085 ( -2.392 6.081 -4.917) 8.178 4.378 ( 4.861 -2.243 -2.075) 5.742 4.547 ( 0.832 2.611 1.652) 3.200 4.659 ( 2.792 4.599 -1.689) 5.639 4.970 ( -1.168 6.824 2.660) 7.417 5.296 ( -1.660 -4.492 -15.313) 16.044 5.421 ( 5.777 1.258 3.490) 6.865 5.450 ( 5.251 -3.353 -1.716) 6.463 5.998 ( -2.210 1.335 5.619) 6.184 6.294 ( 2.260 -2.578 -0.413) 3.454 6.596 ( 4.533 -5.445 0.609) 7.111 6.919 ( -2.440 -5.630 0.608) 6.166 7.083 ( 4.565 2.769 0.292) 5.348 7.396 ( 1.019 3.042 -3.179) 4.517 7.576 ( 3.893 -0.364 -5.212) 6.516 7.798 ( -1.666 4.326 -6.443) 7.938 7.902 ( 5.457 1.410 -2.647) 6.226 8.410 ( 0.738 -1.026 -2.014) 2.378 8.457 ( 1.444 10.843 4.932) 11.999 8.862 ( -1.518 3.938 4.627) 6.262 9.525 ( -3.054 13.287 -1.540) 13.720 10.108 ( -0.257 -7.632 5.171) 9.223 10.275 ( 1.881 -0.333 -4.095) 4.518 11.609 ( -2.827 4.138 6.926) 8.549 12.218 ( -1.247 -0.748 11.311) 11.404 12.796 ( -11.108 -3.480 11.810) 16.582 14.096 ( 3.366 1.235 -6.743) 7.637 14.652 ( 0.419 -2.607 -1.803) 3.198 14.955 ( -0.199 2.876 -7.585) 8.114 ======================= Grid point 231 (110/251) ======================= q-point: ( 0.60 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( 3.312 -3.221 2.201) 5.117 1.732 ( 6.603 1.902 2.041) 7.168 1.759 ( -4.631 -0.797 2.714) 5.426 1.938 ( -6.626 2.141 -0.455) 6.978 2.235 ( 0.410 -0.695 -3.686) 3.773 2.461 ( 0.926 -0.138 -9.651) 9.696 2.559 ( 2.726 -1.078 -3.223) 4.357 2.953 ( -1.287 -0.266 7.520) 7.635 2.975 ( 1.104 0.187 7.064) 7.152 3.374 ( -9.004 -3.779 4.377) 10.701 3.494 ( 0.287 10.714 -7.536) 13.102 3.581 ( 0.661 2.445 -3.339) 4.191 3.960 ( -2.253 0.026 3.749) 4.374 4.046 ( -1.881 -2.337 0.365) 3.022 4.377 ( 0.622 4.355 1.478) 4.641 4.528 ( 3.705 2.668 -3.947) 6.035 4.648 ( -0.930 -3.865 5.371) 6.682 4.871 ( -1.165 2.638 -1.242) 3.140 5.305 ( -5.120 -3.900 -13.784) 15.212 5.453 ( 6.596 -0.590 -9.383) 11.485 5.539 ( 5.284 -0.371 7.543) 9.217 5.953 ( -4.308 1.990 6.991) 8.450 6.412 ( 7.124 -5.802 -8.243) 12.343 6.704 ( 8.645 -2.322 -4.396) 9.973 6.864 ( -7.118 4.771 -5.036) 9.939 7.207 ( 7.457 -7.980 2.447) 11.192 7.303 ( 4.248 8.837 -9.230) 13.466 7.543 ( -0.355 1.904 -3.582) 4.072 7.739 ( -1.365 -2.472 -3.827) 4.756 8.002 ( 7.412 -0.817 1.827) 7.677 8.220 ( -4.414 14.055 -0.416) 14.738 8.492 ( 0.680 -6.653 3.326) 7.469 8.720 ( -6.043 7.976 5.606) 11.470 9.216 ( -5.611 16.085 4.712) 17.675 10.252 ( -0.276 -6.618 4.050) 7.764 10.302 ( 1.812 -1.238 -2.925) 3.656 11.523 ( -3.306 4.159 11.794) 12.935 12.276 ( 0.270 -3.702 9.964) 10.633 12.813 ( -6.724 -4.111 9.694) 12.493 14.074 ( 2.779 1.877 -11.856) 12.321 14.719 ( 2.033 -3.680 -0.500) 4.234 14.897 ( 0.077 2.035 -6.518) 6.828 ======================= Grid point 232 (111/251) ======================= q-point: (-0.30 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.478 ( -1.630 2.413 2.601) 3.904 1.692 ( -3.158 5.297 3.272) 6.981 1.767 ( 5.404 -0.875 -0.453) 5.493 1.937 ( -2.712 -4.651 1.851) 5.693 2.232 ( 4.277 1.644 -6.357) 7.836 2.450 ( 1.852 -1.603 -12.448) 12.687 2.585 ( 0.921 0.660 -0.977) 1.496 2.913 ( -1.330 4.878 2.653) 5.710 3.002 ( -2.189 -1.392 7.900) 8.315 3.326 ( -0.029 1.455 0.087) 1.458 3.429 ( -2.676 -4.688 -5.370) 7.614 3.590 ( 2.197 -1.497 2.129) 3.406 3.967 ( -0.914 -1.239 5.879) 6.078 4.091 ( 0.519 -2.469 -0.121) 2.525 4.302 ( -0.832 3.475 5.858) 6.861 4.489 ( 2.391 2.977 -7.368) 8.298 4.747 ( -3.452 -5.856 4.608) 8.212 4.852 ( -3.937 -3.038 -0.324) 4.983 5.322 ( 1.395 -1.089 -5.104) 5.403 5.539 ( 7.793 -4.026 -9.389) 12.849 5.573 ( -1.131 -2.508 1.232) 3.015 5.905 ( -4.070 0.190 3.745) 5.534 6.476 ( 5.447 3.923 -14.757) 16.212 6.670 ( -7.247 7.195 -11.594) 15.450 6.881 ( 11.681 -9.853 -1.957) 15.406 7.120 ( 2.374 10.999 -11.496) 16.086 7.411 ( 6.792 -5.168 -0.323) 8.541 7.508 ( 0.725 1.962 -0.798) 2.239 7.836 ( -1.833 -7.745 -0.703) 7.990 7.900 ( -5.410 10.877 -2.489) 12.400 8.014 ( 1.337 6.095 7.104) 9.455 8.487 ( -4.078 10.779 0.477) 11.534 8.690 ( 1.302 -7.172 9.475) 11.955 8.984 ( -4.071 3.455 7.011) 8.812 10.314 ( 0.700 0.845 3.441) 3.612 10.331 ( -0.571 -1.732 -1.886) 2.623 11.483 ( -3.630 -0.685 13.486) 13.983 12.344 ( -1.444 -1.377 7.632) 7.888 12.894 ( -2.435 -7.504 11.788) 14.184 14.035 ( 2.203 1.867 -15.002) 15.278 14.787 ( 2.306 -1.276 -1.615) 3.091 14.871 ( 0.236 -0.775 -4.910) 4.976 ======================= Grid point 233 (112/251) ======================= q-point: (-0.20 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( -1.933 10.757 1.161) 10.991 1.505 ( -5.700 12.263 4.756) 14.335 1.863 ( 6.799 -3.380 -0.501) 7.610 2.013 ( -1.716 -4.864 3.581) 6.279 2.240 ( 5.735 0.687 -12.229) 13.524 2.481 ( 1.623 -0.066 -0.842) 1.830 2.564 ( 0.246 0.703 4.087) 4.154 2.849 ( -0.797 -1.305 -1.440) 2.101 3.011 ( -3.308 -0.056 9.463) 10.024 3.393 ( 3.849 -5.803 -2.055) 7.260 3.502 ( -0.873 -5.093 -2.436) 5.713 3.655 ( 2.302 -3.023 1.918) 4.256 4.013 ( -0.194 -3.318 4.971) 5.980 4.113 ( 1.622 1.014 0.809) 2.077 4.304 ( -0.063 -3.360 2.465) 4.168 4.424 ( -0.843 3.724 -6.063) 7.165 4.763 ( -7.190 -1.243 -5.133) 8.921 4.927 ( -4.994 -7.599 5.929) 10.855 5.326 ( 10.182 5.473 -4.346) 12.350 5.541 ( -0.997 2.530 10.773) 11.111 5.714 ( -5.364 -7.463 -1.366) 9.291 5.905 ( -1.265 -3.407 -14.093) 14.554 6.308 ( 1.695 9.178 -14.436) 17.190 6.551 ( -1.544 1.822 -9.886) 10.170 6.942 ( 0.936 5.703 -12.035) 13.351 7.180 ( 9.187 -12.408 -1.726) 15.535 7.353 ( -3.210 8.146 -2.340) 9.063 7.517 ( -0.904 2.331 0.471) 2.544 7.703 ( 4.112 7.389 -3.766) 9.257 7.898 ( -4.112 0.787 4.722) 6.310 8.058 ( -0.395 -10.281 6.038) 11.930 8.289 ( 3.394 8.975 3.455) 10.199 8.750 ( 0.927 1.590 6.141) 6.411 9.120 ( 1.879 -14.913 4.488) 15.686 10.274 ( -1.871 4.158 5.815) 7.390 10.322 ( -0.307 1.231 -4.083) 4.275 11.539 ( -2.840 -5.432 11.342) 12.892 12.324 ( -4.290 1.804 7.055) 8.452 13.074 ( -1.432 -10.761 14.967) 18.490 13.986 ( 1.300 2.185 -15.287) 15.497 14.788 ( 1.332 0.932 -5.980) 6.197 14.911 ( 1.202 -2.722 -1.128) 3.182 ======================= Grid point 234 (113/251) ======================= q-point: (-0.10 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( -0.840 12.101 1.216) 12.190 1.257 ( 0.422 12.686 7.395) 14.690 1.957 ( 6.570 -0.593 3.067) 7.275 2.059 ( 1.407 1.521 -0.361) 2.103 2.231 ( 0.746 0.233 1.988) 2.135 2.474 ( -2.782 -0.823 -2.953) 4.140 2.652 ( 3.767 -7.137 12.847) 15.171 2.932 ( -1.750 -8.056 -6.060) 10.232 2.981 ( -4.010 2.295 11.529) 12.420 3.499 ( 4.426 -0.360 -3.700) 5.780 3.592 ( 0.990 -5.265 9.440) 10.854 3.740 ( 2.400 -4.857 -3.727) 6.576 4.091 ( -1.670 -4.824 3.455) 6.164 4.128 ( 3.472 -2.221 -4.906) 6.407 4.311 ( -1.138 3.551 -6.460) 7.459 4.410 ( 0.352 -4.763 -0.905) 4.861 4.684 ( -7.180 2.054 -6.590) 9.960 5.037 ( -4.772 -6.580 5.817) 9.995 5.253 ( 11.622 10.539 -6.013) 16.801 5.492 ( -6.909 2.309 8.041) 10.850 5.590 ( -5.991 10.289 -7.169) 13.898 5.976 ( -1.641 -6.574 -1.765) 7.002 6.281 ( 0.334 -4.330 -3.083) 5.326 6.479 ( 1.782 4.739 -8.961) 10.293 6.907 ( -1.831 -3.104 -13.300) 13.779 7.182 ( -1.141 7.808 -0.434) 7.903 7.359 ( -3.274 2.235 -3.460) 5.261 7.423 ( 1.471 -0.486 5.042) 5.275 7.713 ( 12.012 -2.756 -4.714) 13.195 7.902 ( -3.652 -4.220 3.516) 6.596 8.234 ( 6.879 -0.029 3.420) 7.682 8.273 ( 1.640 -8.817 -0.062) 8.969 8.730 ( 0.616 2.365 6.068) 6.542 9.428 ( 6.093 -13.682 -2.739) 15.226 10.181 ( -5.048 3.594 7.770) 9.939 10.272 ( 0.228 3.506 -4.826) 5.969 11.648 ( -1.305 -6.094 7.029) 9.394 12.273 ( -5.005 0.640 7.749) 9.247 13.262 ( -7.630 -9.890 16.083) 20.364 13.927 ( 1.684 2.571 -11.027) 11.448 14.772 ( -0.038 0.102 -6.489) 6.490 14.972 ( 2.818 -2.962 -1.319) 4.296 ======================= Grid point 238 (114/251) ======================= q-point: ( 0.30 0.30 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( 8.143 0.000 10.250) 13.091 1.488 ( 3.289 0.000 12.651) 13.072 1.965 ( -2.446 -0.000 7.572) 7.958 2.129 ( -12.589 -0.000 12.323) 17.616 2.173 ( 3.201 0.000 -6.186) 6.965 2.348 ( 2.829 0.000 0.520) 2.877 2.747 ( 3.520 0.000 -0.431) 3.546 2.898 ( -13.299 -0.000 3.815) 13.836 3.225 ( -8.946 -0.000 11.721) 14.745 3.263 ( 2.212 0.000 2.570) 3.391 3.549 ( -7.659 -0.000 -0.864) 7.707 3.985 ( -12.498 -0.000 0.313) 12.502 4.179 ( -1.506 -0.000 -13.187) 13.273 4.342 ( 6.725 0.000 -6.694) 9.489 4.564 ( 4.860 0.000 -8.486) 9.779 4.617 ( 5.502 0.000 -6.685) 8.658 4.717 ( 11.072 0.000 19.175) 22.142 5.030 ( 2.791 0.000 -13.412) 13.699 5.031 ( 12.914 0.000 -24.511) 27.705 5.089 ( -2.333 -0.000 0.142) 2.338 5.860 ( -2.758 -0.000 10.175) 10.542 5.901 ( 2.399 0.000 12.845) 13.067 6.226 ( -9.602 -0.000 13.781) 16.796 6.616 ( 6.324 0.000 5.983) 8.705 6.628 ( -1.993 -0.000 2.771) 3.414 7.045 ( 2.689 0.000 5.719) 6.319 7.305 ( 3.252 0.000 0.289) 3.265 7.495 ( -5.209 -0.000 5.837) 7.823 8.126 ( 5.228 0.000 -7.407) 9.067 8.249 ( -1.417 -0.000 7.611) 7.742 8.480 ( 3.230 0.000 -3.892) 5.058 8.712 ( 2.731 0.000 -3.917) 4.775 8.970 ( 3.344 0.000 -10.790) 11.296 9.314 ( 2.712 0.000 -13.951) 14.212 10.121 ( 8.958 0.000 -2.007) 9.180 10.391 ( -0.479 -0.000 4.835) 4.859 11.746 ( -5.715 -0.000 7.583) 9.496 12.089 ( -3.134 -0.000 -0.912) 3.264 12.893 ( -18.467 -0.000 25.481) 31.469 14.086 ( 2.965 0.000 0.470) 3.002 14.618 ( -2.470 -0.000 -1.470) 2.874 15.102 ( -2.443 -0.000 -14.006) 14.218 ======================= Grid point 239 (115/251) ======================= q-point: ( 0.40 0.30 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.356 ( 4.661 2.225 12.473) 13.500 1.566 ( 0.452 -4.509 6.979) 8.321 1.972 ( -7.279 -3.956 2.029) 8.530 2.033 ( -6.929 3.659 12.493) 14.747 2.198 ( 2.977 -1.787 -5.594) 6.584 2.334 ( -0.167 4.281 -3.717) 5.672 2.771 ( -11.514 3.167 0.643) 11.959 2.794 ( 4.014 -1.462 5.558) 7.010 3.170 ( -6.392 1.911 7.859) 10.309 3.267 ( 1.201 0.400 5.515) 5.659 3.537 ( -6.064 -4.316 -0.055) 7.443 3.854 ( -12.420 2.768 0.417) 12.732 4.118 ( -3.709 2.416 -11.328) 12.162 4.336 ( 7.698 3.904 -4.166) 9.584 4.522 ( 3.705 7.962 -6.373) 10.850 4.609 ( 4.283 2.545 -9.828) 11.019 4.837 ( 1.356 5.308 -6.773) 8.712 4.936 ( 1.853 -7.418 8.992) 11.803 5.151 ( 8.433 -3.570 -17.544) 19.791 5.242 ( 10.677 -7.560 -1.179) 13.136 5.776 ( 0.661 13.384 11.180) 17.451 5.919 ( -1.885 -5.176 7.146) 9.022 6.242 ( -7.915 -3.819 13.402) 16.026 6.511 ( -4.165 6.310 10.712) 13.112 6.721 ( 9.036 -3.112 -0.221) 9.559 7.227 ( 4.232 -10.952 4.520) 12.581 7.284 ( 4.039 3.690 2.566) 6.042 7.456 ( -6.007 0.236 4.446) 7.477 8.069 ( 4.113 8.233 -3.537) 9.860 8.185 ( -2.239 5.948 -5.625) 8.487 8.473 ( -2.122 3.673 -3.649) 5.595 8.747 ( 7.413 -1.066 0.705) 7.523 8.864 ( 2.438 6.086 -7.609) 10.044 9.471 ( 1.817 -12.506 -10.952) 16.723 10.146 ( 6.165 4.864 -2.420) 8.217 10.351 ( -0.330 3.977 3.995) 5.647 11.699 ( -4.540 1.597 6.278) 7.911 12.126 ( -1.847 -5.319 1.353) 5.791 12.779 ( -15.109 2.467 25.231) 29.512 14.107 ( 1.903 -0.304 -1.111) 2.224 14.603 ( -1.300 -0.441 -1.642) 2.140 15.044 ( -1.473 1.655 -12.967) 13.155 ======================= Grid point 240 (116/251) ======================= q-point: ( 0.50 0.30 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( 2.064 -0.145 9.952) 10.164 1.643 ( -4.584 -4.442 3.390) 7.228 1.932 ( 1.754 7.397 11.638) 13.901 2.003 ( -8.647 -5.082 -0.966) 10.076 2.207 ( -0.754 6.022 -5.851) 8.430 2.280 ( 1.571 -5.969 -5.173) 8.054 2.631 ( -7.130 3.091 -3.272) 8.432 2.867 ( 0.434 -2.565 9.891) 10.227 3.105 ( -1.420 2.813 4.154) 5.214 3.285 ( -1.014 -0.201 7.457) 7.528 3.578 ( -4.050 -3.902 0.297) 5.632 3.725 ( -9.362 1.716 0.555) 9.534 4.011 ( -4.052 3.732 -6.871) 8.807 4.251 ( 1.782 11.887 -12.325) 17.216 4.410 ( 5.913 2.243 0.771) 6.371 4.578 ( -0.231 1.453 -5.736) 5.922 4.748 ( 0.028 3.590 -5.682) 6.721 5.057 ( 1.365 0.309 7.660) 7.786 5.211 ( 2.532 -1.647 -15.504) 15.795 5.461 ( 13.517 -5.156 5.297) 15.406 5.581 ( 5.115 10.302 2.043) 11.682 5.999 ( -0.396 -1.995 3.790) 4.301 6.234 ( -5.534 -1.329 8.890) 10.556 6.507 ( -1.622 -6.377 10.254) 12.184 6.846 ( 5.692 -3.390 -0.010) 6.625 7.187 ( 1.363 5.820 2.512) 6.484 7.402 ( -3.853 -0.336 2.786) 4.767 7.526 ( 6.432 -10.046 0.188) 11.931 7.902 ( 0.145 10.485 -4.518) 11.418 8.027 ( 2.572 8.393 -11.400) 14.388 8.390 ( -2.806 0.592 -3.574) 4.583 8.666 ( 0.812 10.760 0.326) 10.796 8.909 ( 3.774 -1.636 3.294) 5.270 9.611 ( -2.233 -1.534 -7.558) 8.029 10.066 ( 1.758 3.441 3.335) 5.104 10.297 ( 0.658 2.180 -2.534) 3.406 11.652 ( -2.188 1.934 4.649) 5.490 12.204 ( -1.093 -2.919 6.895) 7.567 12.698 ( -10.043 -0.528 20.728) 23.039 14.116 ( 1.098 0.204 -4.365) 4.506 14.615 ( 0.747 -1.698 -1.490) 2.379 14.980 ( -0.860 2.102 -10.157) 10.408 ======================= Grid point 241 (117/251) ======================= q-point: (-0.40 -0.70 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.432 ( 1.665 -2.270 5.849) 6.492 1.676 ( -5.592 -3.923 3.281) 7.578 1.853 ( 4.979 5.757 6.606) 10.078 1.941 ( -9.327 3.324 -0.206) 9.904 2.189 ( 3.917 -3.195 -7.572) 9.104 2.384 ( -1.698 -5.447 -2.342) 6.168 2.555 ( -3.194 0.322 -6.040) 6.840 2.926 ( -1.312 -2.653 10.915) 11.309 3.062 ( 3.423 3.837 1.962) 5.504 3.276 ( -4.805 -0.431 6.021) 7.715 3.590 ( -1.104 0.101 0.150) 1.119 3.634 ( -4.587 4.377 -4.359) 7.694 3.913 ( -6.159 0.772 -4.552) 7.697 4.059 ( 0.814 5.603 -4.139) 7.014 4.440 ( 2.625 1.777 0.315) 3.185 4.548 ( -0.543 -0.773 -0.421) 1.034 4.669 ( 0.090 4.229 -4.040) 5.850 4.986 ( 2.006 8.198 5.397) 10.018 5.209 ( -1.353 -1.474 -13.667) 13.812 5.496 ( 5.923 4.409 -6.257) 9.679 5.641 ( 13.141 -0.912 9.740) 16.383 5.977 ( -3.016 2.980 8.796) 9.765 6.312 ( 1.491 -7.955 -5.031) 9.530 6.680 ( 4.051 -8.527 4.474) 10.446 6.876 ( -1.499 2.281 0.261) 2.742 7.150 ( 1.293 -0.781 0.182) 1.521 7.396 ( 0.159 -1.020 0.589) 1.189 7.618 ( 5.701 5.231 -7.175) 10.552 7.749 ( -0.709 5.070 -9.651) 10.925 7.991 ( 4.778 -4.086 2.070) 6.619 8.386 ( -3.175 2.166 -4.758) 6.116 8.442 ( -4.290 8.040 -1.114) 9.181 8.867 ( 0.437 9.012 7.602) 11.798 9.430 ( -8.612 13.154 -0.223) 15.724 10.134 ( 1.355 -6.603 3.616) 7.649 10.290 ( 1.784 -1.100 -3.910) 4.436 11.600 ( -1.592 3.926 7.235) 8.384 12.246 ( -0.364 -1.803 10.637) 10.795 12.714 ( -5.018 -3.598 13.898) 15.208 14.098 ( 0.767 1.270 -8.747) 8.872 14.672 ( 2.537 -3.305 -1.128) 4.317 14.922 ( -0.640 2.055 -7.275) 7.586 ======================= Grid point 242 (118/251) ======================= q-point: (-0.30 -0.70 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.487 ( 0.932 -1.016 4.070) 4.297 1.716 ( -1.923 -1.143 2.299) 3.207 1.834 ( -2.302 1.626 4.300) 5.141 1.837 ( 1.334 -1.047 -0.563) 1.787 2.266 ( 5.824 -1.561 -6.843) 9.121 2.408 ( -3.277 -0.631 -7.275) 8.004 2.543 ( -3.829 -3.013 -3.983) 6.293 2.971 ( 0.202 -0.012 6.397) 6.400 3.022 ( 1.723 3.497 5.554) 6.785 3.276 ( -3.663 -2.957 0.663) 4.754 3.455 ( -1.589 8.146 -8.214) 11.676 3.593 ( 0.972 -0.259 2.094) 2.323 3.905 ( -5.190 -3.981 2.392) 6.965 4.048 ( 1.252 -2.211 -0.292) 2.558 4.380 ( -0.994 4.083 0.977) 4.315 4.536 ( 0.126 3.047 -7.279) 7.892 4.662 ( 0.289 -3.675 5.742) 6.824 4.870 ( 1.496 6.550 2.296) 7.100 5.232 ( 1.406 -4.554 -11.698) 12.631 5.462 ( 0.964 1.088 -6.596) 6.754 5.721 ( 8.805 3.889 8.749) 13.007 5.921 ( -1.052 2.243 6.823) 7.259 6.459 ( 4.019 -6.042 -10.275) 12.579 6.762 ( -3.052 7.594 -7.475) 11.084 6.849 ( 10.346 -3.991 -1.416) 11.179 7.192 ( -3.883 -3.579 -4.057) 6.659 7.443 ( 9.763 1.221 -0.954) 9.885 7.538 ( 1.981 3.531 -3.329) 5.242 7.697 ( -2.346 -3.040 -3.897) 5.471 8.045 ( -9.684 11.475 -7.813) 16.926 8.135 ( 2.350 2.287 2.365) 4.043 8.496 ( -0.940 -6.895 -0.082) 6.959 8.693 ( -1.504 9.668 12.596) 15.950 9.112 ( -9.047 12.810 3.635) 16.099 10.263 ( 0.189 -5.495 1.591) 5.724 10.328 ( 2.160 -1.153 -0.436) 2.487 11.519 ( -2.649 4.485 12.090) 13.164 12.310 ( -0.516 -2.891 8.580) 9.069 12.785 ( -1.570 -5.049 11.713) 12.851 14.057 ( 0.970 1.835 -12.643) 12.813 14.755 ( 2.810 -3.608 -1.471) 4.804 14.873 ( -0.398 1.608 -5.484) 5.728 ======================= Grid point 243 (119/251) ======================= q-point: (-0.20 0.30 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( -0.384 4.553 2.194) 5.068 1.639 ( -4.347 6.434 2.137) 8.054 1.860 ( 4.869 -1.904 1.109) 5.344 1.922 ( 0.485 -5.181 1.979) 5.567 2.285 ( 4.702 1.716 -7.009) 8.613 2.409 ( -0.008 -3.997 -10.596) 11.325 2.560 ( -4.195 -2.679 -2.564) 5.599 2.923 ( 0.965 6.792 1.791) 7.090 2.990 ( -2.774 0.354 8.927) 9.355 3.314 ( 0.232 -3.467 2.329) 4.184 3.407 ( 1.105 -4.193 -7.647) 8.791 3.625 ( 0.861 -1.727 3.105) 3.656 3.948 ( -3.056 -3.744 3.604) 6.029 4.114 ( 1.599 -3.026 0.714) 3.496 4.312 ( -0.493 2.710 4.294) 5.101 4.464 ( -1.775 2.822 -7.925) 8.598 4.724 ( -0.089 -0.009 2.528) 2.530 4.819 ( -0.987 -1.224 3.197) 3.563 5.344 ( 4.734 -5.409 -5.709) 9.179 5.472 ( -4.956 -6.870 -7.173) 11.100 5.680 ( 2.005 6.069 5.436) 8.390 5.917 ( 6.058 1.841 1.081) 6.423 6.502 ( 3.675 11.204 -16.664) 20.414 6.544 ( -1.630 1.813 -9.170) 9.488 7.006 ( 2.185 -3.440 -3.733) 5.527 7.140 ( 7.621 4.230 -11.164) 14.163 7.458 ( 2.737 3.942 -4.499) 6.578 7.500 ( -7.037 0.381 3.392) 7.822 7.783 ( -5.502 -0.245 -5.048) 7.471 7.817 ( 2.370 -5.203 -2.192) 6.123 8.070 ( -0.166 8.210 9.731) 12.733 8.468 ( 0.967 8.730 3.541) 9.470 8.737 ( 0.196 -9.086 8.120) 12.188 8.941 ( -3.669 -1.024 5.648) 6.813 10.315 ( -0.818 -0.655 -0.626) 1.221 10.342 ( 1.236 1.815 2.000) 2.970 11.479 ( -3.219 -0.507 13.949) 14.324 12.331 ( -3.325 0.759 7.121) 7.896 12.922 ( -0.111 -8.262 12.567) 15.040 14.008 ( 1.530 1.907 -14.582) 14.785 14.802 ( 0.641 0.656 -4.652) 4.741 14.864 ( 1.026 -2.492 -2.843) 3.917 ======================= Grid point 244 (120/251) ======================= q-point: (-0.10 0.30 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.326 ( 0.265 11.390 -1.394) 11.478 1.461 ( -1.208 9.329 3.892) 10.180 1.968 ( 6.179 -4.396 -1.582) 7.746 1.990 ( -3.026 -3.370 4.785) 6.589 2.299 ( 6.101 1.297 -8.026) 10.164 2.443 ( -2.285 -0.756 -5.219) 5.747 2.595 ( -1.846 -5.307 3.162) 6.447 2.827 ( -0.554 1.922 1.377) 2.429 2.991 ( -3.522 0.026 11.434) 11.964 3.440 ( 3.434 -8.398 -2.897) 9.524 3.508 ( 1.883 -5.446 -0.843) 5.824 3.669 ( -0.748 -3.022 -0.157) 3.117 4.003 ( -2.280 -4.029 1.503) 4.867 4.146 ( 1.394 0.889 1.852) 2.483 4.335 ( 1.948 -4.035 3.835) 5.898 4.372 ( -1.732 4.232 -6.430) 7.891 4.675 ( -2.624 3.173 -1.960) 4.560 4.881 ( -2.573 -5.597 3.493) 7.081 5.397 ( -0.280 0.108 -2.819) 2.835 5.564 ( 1.340 5.143 3.664) 6.456 5.621 ( -5.738 -5.606 -0.414) 8.033 5.904 ( 5.964 4.320 -10.164) 12.551 6.273 ( 0.662 5.735 -12.807) 14.048 6.539 ( 3.372 1.666 -7.683) 8.554 6.900 ( -0.559 4.598 -11.472) 12.372 7.272 ( 1.342 -6.541 -2.008) 6.972 7.327 ( 1.684 8.279 -3.532) 9.157 7.465 ( -2.436 0.397 0.703) 2.566 7.744 ( 2.096 0.091 -3.833) 4.370 7.873 ( -1.351 3.454 1.794) 4.120 8.093 ( 2.481 -10.061 5.947) 11.947 8.363 ( 3.353 5.518 4.965) 8.145 8.797 ( 1.591 1.690 6.973) 7.349 9.166 ( 2.279 -18.376 3.086) 18.772 10.260 ( -2.169 5.759 4.904) 7.869 10.309 ( 0.239 1.935 -3.667) 4.153 11.538 ( -2.692 -5.593 11.912) 13.433 12.277 ( -4.819 2.420 7.822) 9.500 13.083 ( -4.567 -8.005 13.205) 16.102 13.966 ( 3.079 1.825 -12.529) 13.030 14.767 ( -0.822 1.249 -6.180) 6.358 14.926 ( 1.295 -3.344 -2.809) 4.556 ======================= Grid point 249 (121/251) ======================= q-point: ( 0.40 0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( 1.656 0.000 15.843) 15.929 1.487 ( -7.943 -0.000 6.925) 10.538 1.881 ( -6.512 -0.000 -2.340) 6.920 2.014 ( -5.666 -0.000 7.739) 9.592 2.213 ( 1.916 0.000 1.079) 2.199 2.379 ( 1.373 0.000 -3.128) 3.416 2.703 ( -11.790 -0.000 1.244) 11.855 2.826 ( 3.248 0.000 4.295) 5.385 3.146 ( -6.772 -0.000 8.029) 10.503 3.301 ( 1.549 0.000 3.098) 3.464 3.456 ( -1.761 -0.000 0.043) 1.762 3.766 ( -15.131 -0.000 0.922) 15.159 4.086 ( -3.374 -0.000 -12.586) 13.030 4.448 ( 8.858 0.000 -5.106) 10.224 4.584 ( 1.772 0.000 -8.900) 9.075 4.660 ( 2.942 0.000 -11.272) 11.650 4.848 ( -10.145 -0.000 -13.151) 16.609 4.909 ( 3.958 0.000 15.197) 15.704 5.170 ( 17.129 0.000 -22.714) 28.449 5.255 ( 13.805 0.000 2.429) 14.017 5.871 ( -1.966 -0.000 14.514) 14.647 5.954 ( -1.218 -0.000 10.503) 10.574 6.106 ( -11.660 -0.000 13.677) 17.972 6.596 ( -2.911 -0.000 9.770) 10.195 6.788 ( 11.329 0.000 2.781) 11.666 7.148 ( 6.861 0.000 7.925) 10.482 7.335 ( -4.147 -0.000 5.147) 6.610 7.430 ( -1.862 -0.000 4.473) 4.845 8.143 ( 0.142 0.000 -6.390) 6.391 8.250 ( -1.548 -0.000 4.100) 4.382 8.483 ( -1.529 -0.000 -4.362) 4.622 8.746 ( 4.558 0.000 -7.238) 8.554 8.979 ( 2.713 0.000 -10.782) 11.118 9.308 ( 2.329 0.000 -11.191) 11.431 10.254 ( 8.902 0.000 -3.242) 9.474 10.397 ( -1.532 -0.000 5.661) 5.864 11.690 ( -4.730 -0.000 8.557) 9.777 12.059 ( -0.291 -0.000 0.446) 0.532 12.745 ( -12.310 -0.000 26.675) 29.378 14.109 ( 0.293 0.000 -1.372) 1.403 14.590 ( -0.442 -0.000 -1.389) 1.457 15.021 ( -1.314 -0.000 -14.638) 14.697 ======================= Grid point 250 (122/251) ======================= q-point: (-0.50 -0.60 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( -6.319 1.044 10.088) 11.949 1.519 ( -8.582 -4.390 10.840) 14.506 1.863 ( -4.339 -3.103 -5.050) 7.346 2.014 ( -2.204 -1.209 10.528) 10.824 2.221 ( 1.541 -0.020 -1.665) 2.268 2.318 ( 0.384 6.093 -3.897) 7.243 2.610 ( -7.995 1.925 -1.986) 8.460 2.852 ( -0.461 -0.896 7.507) 7.575 3.100 ( -6.903 -0.490 5.487) 8.832 3.313 ( 1.228 0.720 3.735) 3.997 3.499 ( 2.688 -2.948 1.421) 4.235 3.651 ( -12.615 0.139 1.327) 12.685 4.025 ( -3.093 1.973 -9.999) 10.651 4.432 ( 6.415 7.698 -9.725) 13.964 4.531 ( 0.220 6.118 -5.202) 8.034 4.584 ( -2.818 2.390 -11.030) 11.633 4.760 ( -1.465 0.351 -7.792) 7.936 5.035 ( 2.374 -6.229 9.125) 11.301 5.226 ( 9.847 2.305 -16.112) 19.023 5.472 ( 16.504 -7.597 0.442) 18.174 5.786 ( -3.331 9.798 9.010) 13.721 5.927 ( -1.134 -3.689 9.455) 10.212 6.185 ( -5.638 -7.332 13.372) 16.259 6.492 ( -3.092 7.617 12.392) 14.871 6.880 ( 10.092 -0.374 1.581) 10.222 7.251 ( -6.216 0.644 5.360) 8.233 7.360 ( 0.147 -8.321 4.492) 9.457 7.423 ( 5.990 0.902 6.697) 9.030 8.103 ( 0.934 7.500 -1.679) 7.742 8.124 ( -2.359 6.200 -8.409) 10.710 8.399 ( -4.810 4.660 -6.320) 9.208 8.852 ( 2.258 7.975 -2.853) 8.766 8.857 ( 3.472 -5.028 -5.326) 8.106 9.453 ( 0.827 -11.239 -9.925) 15.017 10.230 ( 4.835 8.753 -0.030) 10.000 10.348 ( -1.366 3.714 1.111) 4.110 11.668 ( -2.305 0.698 6.577) 7.003 12.124 ( 0.743 -5.466 2.735) 6.157 12.693 ( -7.798 1.825 26.867) 28.035 14.108 ( -0.730 -0.399 -2.781) 2.903 14.596 ( 0.977 -0.962 -1.557) 2.075 14.977 ( -1.158 0.904 -13.339) 13.419 ======================= Grid point 251 (123/251) ======================= q-point: (-0.40 -0.60 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.382 ( -5.495 -3.057 7.243) 9.592 1.547 ( -8.809 -5.483 7.923) 13.055 1.864 ( -7.640 -1.617 -2.319) 8.146 2.014 ( 1.556 4.003 10.001) 10.884 2.210 ( 3.539 2.685 -3.619) 5.730 2.276 ( 0.644 -3.695 -4.953) 6.213 2.514 ( -5.774 1.475 -4.911) 7.722 2.886 ( -1.863 -2.318 10.204) 10.629 3.095 ( -2.730 -2.115 2.848) 4.476 3.291 ( -1.672 2.534 4.335) 5.292 3.549 ( -5.203 -2.189 2.634) 6.229 3.615 ( 1.483 -1.273 0.426) 2.001 3.921 ( -3.752 5.111 -8.408) 10.531 4.220 ( -0.320 11.778 -12.253) 16.999 4.494 ( 3.409 1.654 0.737) 3.860 4.523 ( -2.260 0.333 -5.382) 5.847 4.727 ( 0.261 2.630 -5.724) 6.304 5.120 ( 2.585 1.427 7.430) 7.995 5.187 ( 0.741 2.693 -10.830) 11.185 5.641 ( 6.538 4.666 -6.231) 10.166 5.731 ( 13.521 -2.174 8.306) 16.017 6.024 ( 1.688 -3.548 4.036) 5.633 6.208 ( -2.172 1.855 12.014) 12.348 6.496 ( -4.209 -10.493 10.229) 15.246 6.936 ( 5.227 1.869 -0.284) 5.558 7.173 ( -6.154 2.087 2.080) 6.823 7.368 ( 1.029 0.796 4.891) 5.061 7.627 ( 4.837 -8.635 1.154) 9.965 7.879 ( -0.060 11.510 -7.199) 13.576 8.035 ( 1.755 5.230 -7.247) 9.108 8.319 ( -4.182 -2.006 -3.880) 6.047 8.615 ( -5.207 13.770 -7.012) 16.306 8.985 ( 3.063 -0.865 6.102) 6.882 9.523 ( -5.510 3.073 -5.699) 8.502 10.118 ( 3.006 3.683 4.340) 6.437 10.283 ( -0.402 1.270 -5.402) 5.564 11.651 ( -0.308 1.539 4.778) 5.029 12.221 ( 0.114 -3.337 7.148) 7.890 12.684 ( -1.755 -0.303 22.979) 23.048 14.097 ( -1.055 0.143 -5.757) 5.855 14.639 ( 2.794 -2.510 -1.843) 4.183 14.927 ( -1.448 1.151 -9.761) 9.934 ======================= Grid point 252 (124/251) ======================= q-point: (-0.30 -0.60 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( -3.566 -5.192 5.665) 8.471 1.626 ( -3.448 -7.581 5.299) 9.871 1.789 ( -7.201 2.220 -0.556) 7.556 1.950 ( 2.658 5.389 6.634) 8.950 2.256 ( 7.064 -3.141 -8.078) 11.181 2.334 ( -3.174 -3.241 -0.333) 4.549 2.454 ( -5.679 -0.662 -7.574) 9.490 2.946 ( -0.702 -3.283 10.303) 10.836 3.121 ( 2.881 0.795 -0.181) 2.994 3.225 ( -4.998 1.617 5.541) 7.635 3.551 ( -3.678 0.718 -0.538) 3.786 3.602 ( 1.508 4.035 -2.339) 4.902 3.806 ( -3.756 -0.280 -5.283) 6.488 4.069 ( 2.327 3.906 -4.145) 6.152 4.429 ( -2.248 3.238 -3.723) 5.422 4.574 ( 3.431 -1.663 2.395) 4.503 4.646 ( -1.057 3.400 -3.762) 5.180 5.058 ( 3.427 8.866 6.066) 11.276 5.159 ( 0.142 -1.889 -8.472) 8.681 5.567 ( 5.420 7.344 -4.445) 10.152 5.841 ( 5.735 1.794 6.439) 8.807 6.004 ( 3.608 5.091 10.065) 11.843 6.326 ( 3.735 -10.475 -5.310) 12.324 6.721 ( -0.837 -11.623 4.633) 12.540 6.904 ( 4.603 3.386 0.801) 5.770 7.102 ( -4.915 0.790 -5.024) 7.073 7.414 ( 0.222 -4.096 3.553) 5.427 7.684 ( 1.373 4.506 -8.970) 10.132 7.711 ( 2.616 6.232 -3.698) 7.705 8.041 ( 0.617 -5.062 1.105) 5.218 8.238 ( -10.068 15.270 -12.634) 22.229 8.380 ( -2.616 -4.120 -1.933) 5.249 8.926 ( 1.532 10.550 11.725) 15.847 9.273 ( -10.337 13.713 -0.244) 17.174 10.170 ( 1.582 -4.693 2.710) 5.646 10.302 ( 1.439 -3.041 -3.464) 4.829 11.610 ( -0.698 4.222 7.673) 8.785 12.277 ( -0.309 -2.102 9.101) 9.346 12.747 ( 2.048 -2.025 16.662) 16.909 14.065 ( -0.471 1.062 -9.646) 9.716 14.714 ( 3.522 -3.311 -2.736) 5.555 14.882 ( -1.316 1.037 -5.756) 5.994 ======================= Grid point 253 (125/251) ======================= q-point: (-0.20 -0.60 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( -1.256 -2.105 4.686) 5.288 1.693 ( -2.771 3.750 0.593) 4.700 1.768 ( -2.715 -8.468 6.039) 10.749 1.928 ( 5.555 0.817 0.980) 5.700 2.321 ( -4.222 0.733 -3.414) 5.479 2.355 ( 7.951 -2.149 -9.797) 12.799 2.422 ( -7.578 -3.913 -7.641) 11.451 2.996 ( -0.045 0.217 5.751) 5.755 3.069 ( 1.684 6.131 6.650) 9.200 3.248 ( -1.773 -6.032 -0.556) 6.312 3.402 ( -0.723 6.709 -6.859) 9.622 3.618 ( 0.117 -1.195 5.432) 5.563 3.842 ( -2.643 -5.299 -0.331) 5.931 4.073 ( 2.629 -1.760 -2.596) 4.093 4.357 ( -1.241 2.518 -1.432) 3.152 4.505 ( -0.615 5.606 -5.748) 8.053 4.703 ( 2.197 -4.145 6.067) 7.669 4.925 ( 3.131 9.003 4.490) 10.537 5.226 ( 0.975 -6.640 -7.056) 9.738 5.462 ( 1.363 6.123 -2.069) 6.605 5.788 ( -1.671 5.388 6.326) 8.476 6.010 ( 7.529 1.469 1.646) 7.845 6.509 ( 7.437 -5.110 -5.812) 10.734 6.712 ( 0.143 9.744 -9.155) 13.371 6.958 ( 1.985 -1.636 -4.580) 5.253 7.144 ( 2.532 -8.887 -2.572) 9.592 7.461 ( -9.045 2.344 -0.736) 9.373 7.561 ( -1.286 4.510 -9.626) 10.708 7.674 ( 4.202 -0.443 -2.279) 4.801 7.850 ( -6.143 7.751 -7.520) 12.424 8.175 ( -0.370 -0.080 3.514) 3.535 8.470 ( -2.144 -9.580 -1.689) 9.961 8.737 ( -0.554 12.116 15.621) 19.777 8.993 ( -6.358 8.301 2.712) 10.802 10.267 ( -0.146 -4.208 0.881) 4.302 10.358 ( 1.536 -1.565 0.168) 2.199 11.528 ( -2.054 5.009 12.512) 13.633 12.321 ( -1.548 -1.173 7.749) 7.988 12.842 ( 2.412 -3.853 13.397) 14.147 14.023 ( 0.990 1.438 -13.118) 13.234 14.785 ( 1.899 -2.401 -4.110) 5.124 14.851 ( 0.088 0.648 -3.227) 3.293 ======================= Grid point 254 (126/251) ======================= q-point: (-0.10 0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.481 ( 0.781 4.972 1.018) 5.135 1.589 ( -2.092 6.281 1.053) 6.704 1.877 ( -3.005 -5.290 6.006) 8.549 1.992 ( 6.078 -1.058 -0.955) 6.243 2.286 ( -1.414 -1.864 -4.109) 4.729 2.412 ( -0.435 -4.540 -7.362) 8.660 2.456 ( 0.089 -2.944 -11.587) 11.956 2.948 ( 1.217 7.432 2.739) 8.014 2.999 ( -1.158 1.370 12.177) 12.309 3.351 ( 1.325 -2.089 -3.022) 3.906 3.384 ( 0.736 -8.903 -2.871) 9.384 3.639 ( -1.076 -0.375 5.210) 5.333 3.914 ( -2.014 -4.460 0.341) 4.905 4.132 ( 1.041 -2.895 -2.117) 3.735 4.324 ( 0.546 0.666 3.352) 3.461 4.405 ( -1.924 2.990 -5.605) 6.638 4.754 ( 1.376 3.923 4.035) 5.793 4.838 ( 1.881 1.543 3.578) 4.327 5.361 ( -6.498 -5.140 -2.962) 8.799 5.412 ( 4.629 -5.044 -2.521) 7.296 5.683 ( -0.418 5.990 2.303) 6.431 6.043 ( 7.472 2.797 -3.644) 8.771 6.440 ( -0.052 14.357 -16.665) 21.997 6.593 ( 6.928 2.206 -6.378) 9.672 6.950 ( -2.876 2.510 -8.655) 9.459 7.190 ( -3.788 0.551 -6.421) 7.475 7.386 ( -0.804 -6.750 -0.042) 6.798 7.470 ( -0.463 5.849 -7.065) 9.184 7.718 ( 0.288 -1.149 -2.664) 2.916 7.889 ( 5.318 -7.849 0.163) 9.483 8.057 ( -4.511 7.285 6.306) 10.639 8.525 ( 2.649 8.970 7.211) 11.810 8.742 ( -3.162 -12.617 6.551) 14.564 8.931 ( 0.067 -4.721 5.595) 7.321 10.302 ( -0.565 -0.015 -0.345) 0.662 10.361 ( 0.303 2.589 1.340) 2.931 11.484 ( -2.817 -0.112 14.489) 14.761 12.305 ( -3.084 2.370 7.712) 8.637 12.959 ( -1.435 -5.487 12.005) 13.277 13.991 ( 3.304 0.978 -13.932) 14.352 14.781 ( -0.830 1.665 -4.069) 4.474 14.876 ( 1.688 -2.492 -4.006) 5.011 ======================= Grid point 260 (127/251) ======================= q-point: (-0.50 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( -12.985 -0.000 3.233) 13.381 1.430 ( -12.021 -0.000 19.784) 23.149 1.820 ( 1.101 0.000 -6.075) 6.174 1.979 ( -3.328 -0.000 7.883) 8.556 2.230 ( -0.543 -0.000 0.660) 0.854 2.385 ( 1.270 0.000 -3.171) 3.416 2.572 ( -4.632 -0.000 0.115) 4.634 2.847 ( -2.376 -0.000 6.318) 6.750 3.017 ( -12.730 -0.000 5.204) 13.753 3.337 ( 1.404 0.000 3.790) 4.041 3.502 ( -4.055 -0.000 3.514) 5.366 3.585 ( 1.922 0.000 -0.047) 1.922 3.999 ( -1.977 -0.000 -11.269) 11.441 4.547 ( -8.612 -0.000 -18.520) 20.424 4.560 ( -0.261 -0.000 -9.686) 9.690 4.570 ( 7.952 0.000 -4.080) 8.938 4.741 ( 0.478 0.000 -6.267) 6.285 4.953 ( -1.014 -0.000 0.783) 1.281 5.389 ( 17.528 0.000 -10.578) 20.473 5.477 ( 12.608 0.000 0.636) 12.624 5.880 ( -7.043 -0.000 22.871) 23.931 5.950 ( -2.758 -0.000 8.783) 9.206 5.993 ( -5.622 -0.000 6.036) 8.249 6.606 ( -0.588 -0.000 10.634) 10.650 6.968 ( 8.725 0.000 3.624) 9.447 7.184 ( -13.254 -0.000 4.674) 14.054 7.294 ( 6.914 0.000 10.065) 12.211 7.523 ( 8.056 0.000 8.383) 11.626 8.088 ( -3.962 -0.000 -5.832) 7.050 8.212 ( -5.344 -0.000 2.343) 5.835 8.399 ( -5.821 -0.000 -8.487) 10.292 8.795 ( 4.442 0.000 -6.764) 8.093 8.976 ( 2.048 0.000 -11.298) 11.482 9.305 ( 2.086 0.000 -9.627) 9.850 10.362 ( 6.137 0.000 -3.137) 6.892 10.378 ( -3.535 -0.000 5.372) 6.431 11.668 ( -2.065 -0.000 8.185) 8.441 12.088 ( 3.467 0.000 1.898) 3.952 12.712 ( -4.400 -0.000 28.896) 29.229 14.087 ( -2.179 -0.000 -2.170) 3.076 14.593 ( 1.493 0.000 -1.845) 2.374 14.950 ( -1.270 -0.000 -14.917) 14.971 ======================= Grid point 261 (128/251) ======================= q-point: (-0.40 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( -11.275 -3.515 3.635) 12.357 1.388 ( -14.244 -3.791 15.385) 21.306 1.811 ( -1.423 0.572 -2.800) 3.193 2.007 ( -3.418 -3.221 8.514) 9.723 2.227 ( 0.069 -0.599 -2.496) 2.568 2.335 ( 3.222 5.130 -1.603) 6.267 2.520 ( -2.617 3.264 -2.273) 4.761 2.852 ( -2.821 -1.962 7.822) 8.543 2.972 ( -11.047 -4.664 6.577) 13.676 3.327 ( -1.056 2.075 2.677) 3.548 3.464 ( -7.057 -1.826 3.972) 8.302 3.662 ( 11.638 -0.295 -0.275) 11.645 3.957 ( -1.044 2.021 -8.889) 9.175 4.356 ( -6.820 8.444 -17.666) 20.734 4.521 ( -0.831 1.624 -6.792) 7.032 4.564 ( 4.862 3.864 -3.097) 6.940 4.742 ( 1.050 -0.009 -5.656) 5.753 5.062 ( -0.056 -9.195 -1.025) 9.252 5.317 ( 5.220 11.290 -4.361) 13.180 5.681 ( 7.766 -4.451 -5.659) 10.590 5.814 ( 6.003 0.461 10.523) 12.123 5.950 ( -0.362 -2.213 11.029) 11.254 6.151 ( -4.112 -12.521 9.354) 16.161 6.514 ( -0.101 10.585 13.318) 17.012 6.994 ( -1.114 0.630 1.585) 2.038 7.115 ( -5.897 0.102 3.740) 6.984 7.435 ( 4.875 -4.649 6.624) 9.447 7.561 ( 6.390 2.199 9.535) 11.687 8.046 ( -4.231 5.962 -6.679) 9.902 8.079 ( -2.838 3.028 -2.291) 4.741 8.282 ( -6.601 3.755 -8.051) 11.068 8.812 ( -0.830 12.050 -11.167) 16.450 8.913 ( 1.386 -7.129 1.009) 7.332 9.430 ( 1.015 -8.532 -9.493) 12.804 10.272 ( -1.962 8.132 5.235) 9.868 10.337 ( 2.110 5.514 -4.459) 7.399 11.672 ( -0.310 0.099 5.842) 5.851 12.169 ( 3.273 -4.150 3.903) 6.570 12.741 ( 1.362 0.892 29.394) 29.439 14.068 ( -2.882 -0.563 -3.284) 4.405 14.619 ( 2.814 -1.652 -2.299) 3.992 14.906 ( -2.019 0.461 -13.149) 13.311 ======================= Grid point 262 (129/251) ======================= q-point: (-0.30 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( -8.311 -6.528 5.206) 11.781 1.426 ( -10.738 -9.272 9.004) 16.803 1.774 ( -2.603 0.786 -1.003) 2.898 2.020 ( -5.321 0.218 8.521) 10.049 2.247 ( 0.568 -1.239 -1.553) 2.066 2.305 ( 5.936 1.211 -2.665) 6.618 2.431 ( -2.027 2.977 -5.113) 6.254 2.901 ( -0.625 -3.249 8.912) 9.507 3.018 ( -8.164 -6.897 5.949) 12.231 3.281 ( -1.279 2.523 2.815) 3.990 3.469 ( -3.277 -2.620 3.426) 5.417 3.726 ( 8.275 3.879 -3.094) 9.648 3.847 ( -1.082 6.612 -7.383) 9.970 4.162 ( -0.722 5.691 -10.766) 12.199 4.462 ( -1.007 3.093 -5.560) 6.442 4.558 ( 2.355 -1.064 1.380) 2.929 4.712 ( 0.442 3.336 -4.872) 5.921 5.159 ( 0.321 3.463 -6.678) 7.529 5.181 ( 1.460 0.510 5.677) 5.884 5.708 ( 5.537 3.301 -7.742) 10.074 5.897 ( 2.608 0.141 3.770) 4.586 6.103 ( 5.887 -9.920 5.678) 12.857 6.259 ( 2.865 9.011 14.019) 16.910 6.470 ( -2.023 -13.180 6.862) 14.996 6.970 ( -3.541 -0.540 -2.144) 4.174 7.069 ( -3.005 1.737 2.639) 4.360 7.454 ( 5.946 5.792 3.979) 9.205 7.649 ( -3.202 -5.931 2.247) 7.105 7.846 ( -1.905 8.877 -3.809) 9.846 8.006 ( -3.037 2.250 -6.559) 7.570 8.252 ( -1.828 -4.511 -3.898) 6.235 8.486 ( -5.604 18.504 -11.873) 22.689 9.027 ( -1.171 -2.153 7.072) 7.484 9.419 ( -4.602 8.321 -4.951) 10.721 10.183 ( 2.421 2.328 5.811) 6.712 10.253 ( -0.166 0.767 -7.032) 7.076 11.669 ( 0.239 1.500 4.567) 4.812 12.257 ( 1.037 -2.352 7.157) 7.604 12.810 ( 6.651 0.861 25.109) 25.990 14.048 ( -2.144 -0.300 -6.435) 6.789 14.683 ( 4.015 -2.835 -3.628) 6.109 14.863 ( -2.632 -0.075 -8.098) 8.515 ======================= Grid point 263 (130/251) ======================= q-point: (-0.20 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( -5.617 -8.215 5.448) 11.345 1.554 ( -8.171 -10.676 5.272) 14.441 1.762 ( 3.551 0.957 0.740) 3.751 1.973 ( -3.120 1.074 5.220) 6.176 2.257 ( -2.593 -0.731 0.615) 2.764 2.337 ( -1.171 -0.937 -7.735) 7.879 2.394 ( 6.298 0.378 -6.119) 8.790 2.977 ( 0.009 -3.032 6.882) 7.521 3.090 ( -7.334 -6.888 4.687) 11.100 3.209 ( 0.993 6.028 4.776) 7.755 3.521 ( -0.292 -0.500 1.113) 1.255 3.581 ( -1.101 5.379 -7.738) 9.488 3.804 ( 3.938 1.295 -0.615) 4.191 4.099 ( 3.696 2.037 -5.145) 6.654 4.390 ( -0.304 2.978 -4.420) 5.339 4.610 ( -1.411 4.525 -4.595) 6.601 4.648 ( 3.951 -3.150 4.398) 6.699 5.095 ( 0.393 3.955 -2.231) 4.557 5.171 ( 2.283 2.283 3.363) 4.662 5.623 ( 2.985 8.661 -2.726) 9.558 5.866 ( -2.374 3.482 2.276) 4.790 6.116 ( 4.740 6.585 6.620) 10.471 6.399 ( 4.518 -13.952 -0.861) 14.690 6.725 ( 1.638 -8.895 2.481) 9.379 6.952 ( -2.072 0.156 -6.859) 7.167 7.046 ( 3.366 -1.006 1.672) 3.890 7.400 ( -1.784 1.094 -3.092) 3.734 7.611 ( -6.055 6.356 -5.146) 10.176 7.724 ( -3.523 2.238 -0.740) 4.239 8.024 ( -0.252 9.042 -8.649) 12.516 8.075 ( -4.917 -0.074 -3.423) 5.991 8.333 ( -2.113 -3.161 -4.071) 5.571 8.954 ( -4.611 9.188 11.096) 15.126 9.154 ( -3.258 13.388 0.528) 13.789 10.201 ( 1.065 -2.271 3.148) 4.025 10.309 ( 1.006 -4.831 -2.947) 5.748 11.628 ( -0.817 4.408 7.764) 8.965 12.303 ( -0.336 -1.390 8.204) 8.327 12.884 ( 6.656 1.418 18.698) 19.898 14.023 ( 0.086 0.391 -10.796) 10.803 14.751 ( 2.620 -2.351 -5.930) 6.896 14.847 ( -0.699 -0.731 -2.350) 2.558 ======================= Grid point 264 (131/251) ======================= q-point: (-0.10 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( -2.941 -4.994 4.515) 7.347 1.640 ( -3.481 -1.879 1.023) 4.086 1.779 ( -0.597 -1.508 7.593) 7.765 2.005 ( 3.508 -3.027 0.061) 4.634 2.234 ( -5.083 -0.413 -0.088) 5.100 2.309 ( -0.285 -0.834 -13.577) 13.606 2.454 ( 8.009 -0.984 -8.425) 11.666 3.003 ( -1.594 -0.183 3.359) 3.723 3.093 ( -4.595 3.707 8.747) 10.553 3.211 ( 0.220 -5.595 -0.353) 5.610 3.407 ( 3.830 5.182 -4.577) 7.904 3.627 ( -1.795 -2.442 6.488) 7.162 3.837 ( 2.077 -2.517 0.133) 3.266 4.104 ( 2.680 -0.422 -4.995) 5.684 4.350 ( 1.474 1.144 -2.802) 3.367 4.469 ( -2.252 7.048 -2.709) 7.879 4.772 ( 3.815 -3.938 5.483) 7.754 4.986 ( 2.382 8.923 5.171) 10.585 5.201 ( -1.453 -4.938 -3.900) 6.457 5.475 ( 0.081 7.111 0.201) 7.115 5.784 ( -0.413 4.615 3.708) 5.934 6.099 ( 4.068 0.604 -2.246) 4.686 6.641 ( 7.762 -6.555 -5.282) 11.450 6.681 ( 1.347 13.310 -9.425) 16.365 6.892 ( -4.596 -1.479 -7.934) 9.288 7.214 ( -10.079 1.872 -2.530) 10.558 7.257 ( 5.168 0.085 -7.341) 8.978 7.453 ( -5.477 -1.479 -11.149) 12.509 7.735 ( 0.757 -4.417 1.054) 4.604 7.832 ( 3.489 4.616 2.305) 6.228 8.152 ( -3.005 3.871 0.452) 4.922 8.409 ( -4.853 -14.880 -1.433) 15.717 8.758 ( -3.187 10.028 11.337) 15.468 8.965 ( 0.562 6.833 6.141) 9.204 10.267 ( -0.402 -3.283 1.737) 3.736 10.372 ( 0.329 -1.583 -0.453) 1.679 11.541 ( -2.146 5.167 12.415) 13.617 12.327 ( -1.130 0.155 7.856) 7.939 12.933 ( 2.123 0.203 14.143) 14.303 14.003 ( 2.993 0.426 -14.098) 14.419 14.778 ( -0.421 -0.776 -4.210) 4.301 14.861 ( 2.226 -0.429 -2.835) 3.630 ======================= Grid point 271 (132/251) ======================= q-point: (-0.40 -0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( -14.023 -0.000 2.384) 14.225 1.265 ( -16.013 -0.000 16.422) 22.936 1.813 ( -2.734 -0.000 0.281) 2.748 1.964 ( -2.337 -0.000 8.728) 9.035 2.213 ( 0.429 0.000 -3.672) 3.697 2.401 ( 2.102 0.000 -2.213) 3.053 2.557 ( 1.640 0.000 0.991) 1.916 2.763 ( -13.494 -0.000 8.830) 16.126 2.885 ( -3.824 -0.000 7.569) 8.481 3.369 ( 0.580 0.000 4.844) 4.878 3.390 ( -4.890 -0.000 3.595) 6.070 3.758 ( 13.056 0.000 -1.026) 13.096 3.952 ( 1.156 0.000 -9.866) 9.934 4.336 ( -8.824 -0.000 -15.755) 18.057 4.516 ( -0.653 -0.000 -9.865) 9.886 4.665 ( 4.937 0.000 -7.632) 9.089 4.753 ( 4.168 0.000 -3.530) 5.462 4.904 ( -3.745 -0.000 -5.907) 6.994 5.599 ( 1.859 0.000 -0.459) 1.915 5.609 ( 13.478 0.000 -7.463) 15.406 5.820 ( -8.552 -0.000 23.204) 24.730 5.976 ( 3.426 0.000 7.114) 7.896 5.989 ( 0.818 0.000 4.606) 4.678 6.650 ( 1.048 0.000 10.572) 10.623 6.922 ( -13.859 -0.000 2.649) 14.109 7.147 ( 5.055 0.000 3.233) 6.000 7.403 ( 0.932 0.000 10.708) 10.749 7.712 ( 11.046 0.000 10.830) 15.469 8.000 ( -3.680 -0.000 -6.358) 7.346 8.090 ( -11.713 -0.000 3.717) 12.288 8.256 ( -7.325 -0.000 -10.581) 12.869 8.818 ( 0.839 0.000 -4.939) 5.010 8.961 ( 1.517 0.000 -11.978) 12.074 9.306 ( 2.634 0.000 -9.942) 10.285 10.336 ( -3.604 -0.000 4.141) 5.490 10.414 ( 1.637 0.000 -2.529) 3.012 11.679 ( -0.199 -0.000 6.360) 6.363 12.171 ( 5.475 0.000 2.881) 6.187 12.834 ( 6.294 0.000 32.763) 33.362 14.028 ( -4.375 -0.000 -2.090) 4.848 14.621 ( 3.138 0.000 -2.447) 3.979 14.866 ( -2.778 -0.000 -14.798) 15.057 ======================= Grid point 272 (133/251) ======================= q-point: (-0.30 -0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( -12.300 -7.096 2.625) 14.441 1.213 ( -14.344 -5.139 13.861) 20.598 1.766 ( -5.739 0.665 2.644) 6.354 1.968 ( -4.952 -0.663 8.588) 9.935 2.229 ( 2.715 -0.795 -3.820) 4.754 2.395 ( 4.613 2.199 -0.724) 5.161 2.494 ( -1.193 5.615 1.541) 5.944 2.785 ( -7.994 -8.281 8.534) 14.329 2.901 ( -1.126 -2.276 8.374) 8.751 3.305 ( -1.465 2.948 3.015) 4.464 3.441 ( 0.678 -2.014 4.383) 4.871 3.843 ( 10.942 1.491 -2.415) 11.304 3.932 ( 1.588 3.345 -7.111) 8.017 4.203 ( -3.761 3.753 -14.730) 15.659 4.481 ( -1.141 1.154 -6.648) 6.843 4.612 ( 2.633 4.762 -5.422) 7.682 4.741 ( 0.931 0.943 -4.361) 4.558 5.046 ( 0.196 -12.281 -5.506) 13.460 5.342 ( -0.937 15.149 1.707) 15.274 5.715 ( 0.251 -2.977 -4.961) 5.791 5.925 ( 0.783 -0.059 9.779) 9.811 6.032 ( 4.542 -2.006 6.629) 8.283 6.153 ( 3.526 -17.167 4.594) 18.118 6.580 ( 2.352 11.082 12.726) 17.038 6.836 ( -13.046 -3.009 1.074) 13.431 7.152 ( 3.580 3.753 2.031) 5.570 7.480 ( -3.922 -6.736 7.175) 10.594 7.695 ( 6.720 10.142 7.770) 14.436 7.934 ( -10.221 4.978 3.969) 12.042 7.998 ( -4.955 1.358 -12.034) 13.085 8.177 ( -1.305 -1.149 -4.225) 4.569 8.756 ( -0.602 15.885 -12.447) 20.189 8.905 ( -2.822 -7.708 1.416) 8.330 9.423 ( 2.622 -5.976 -9.699) 11.690 10.231 ( -3.501 6.129 0.775) 7.101 10.362 ( 0.995 6.041 -0.175) 6.125 11.691 ( 0.194 0.061 4.376) 4.381 12.243 ( 3.903 -2.229 4.403) 6.292 12.957 ( 12.199 1.365 32.322) 34.574 14.000 ( -4.056 -1.217 -3.369) 5.411 14.663 ( 3.986 -2.061 -3.331) 5.589 14.814 ( -4.011 -0.275 -11.886) 12.548 ======================= Grid point 273 (134/251) ======================= q-point: (-0.20 -0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( -9.017 -9.802 3.882) 13.873 1.291 ( -10.119 -11.546 8.750) 17.671 1.759 ( -1.513 -3.663 1.813) 4.358 1.935 ( -7.370 0.435 7.566) 10.571 2.254 ( 1.789 -0.293 -1.169) 2.157 2.364 ( -0.060 5.154 4.082) 6.575 2.441 ( 6.045 0.467 -4.621) 7.623 2.891 ( -4.856 -6.766 6.273) 10.426 2.970 ( 0.155 -3.576 9.540) 10.190 3.277 ( -0.203 0.772 3.563) 3.651 3.472 ( 1.399 -0.893 2.157) 2.722 3.749 ( 0.305 11.305 -10.102) 15.164 3.891 ( 6.016 3.066 -0.905) 6.812 4.153 ( 4.298 1.389 -7.965) 9.156 4.434 ( -0.773 2.313 -3.912) 4.610 4.581 ( 0.829 -0.842 -1.736) 2.100 4.712 ( 1.303 2.522 -3.524) 4.525 5.140 ( -0.176 5.129 -3.596) 6.267 5.217 ( 1.150 -3.666 3.061) 4.912 5.741 ( 1.716 1.444 -9.423) 9.686 5.886 ( -3.535 2.949 1.576) 4.865 6.127 ( -6.091 -10.558 5.849) 13.520 6.378 ( 3.485 14.924 13.202) 20.228 6.538 ( 8.977 -16.867 1.385) 19.157 6.843 ( -7.543 -6.139 -2.123) 9.954 7.111 ( 4.175 3.400 3.706) 6.537 7.533 ( 2.660 9.948 -4.572) 11.267 7.565 ( -7.860 -3.354 5.664) 10.252 7.773 ( -9.387 5.939 3.700) 11.708 7.899 ( -4.046 -1.556 -7.285) 8.478 8.226 ( -0.381 0.046 -7.166) 7.176 8.397 ( 0.018 17.332 -9.274) 19.657 8.993 ( -6.130 -2.406 6.420) 9.197 9.366 ( 0.467 11.076 -5.031) 12.174 10.204 ( -0.270 -5.260 -3.113) 6.118 10.257 ( 1.368 5.686 3.164) 6.649 11.686 ( -0.169 1.597 4.061) 4.367 12.300 ( 1.001 -0.867 6.935) 7.060 13.057 ( 12.156 4.976 26.423) 29.507 13.995 ( -0.789 -1.354 -7.862) 8.016 14.720 ( 1.799 -1.814 -7.811) 8.218 14.801 ( -1.216 -2.952 -2.527) 4.072 ======================= Grid point 274 (135/251) ======================= q-point: (-0.10 -0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( -6.449 -10.713 3.989) 13.126 1.454 ( -6.636 -11.951 6.312) 15.056 1.844 ( 2.652 2.732 3.788) 5.371 1.909 ( -3.179 -7.770 1.234) 8.485 2.250 ( 1.110 2.404 0.153) 2.652 2.288 ( -1.357 1.768 -3.104) 3.821 2.495 ( 7.308 -0.554 -3.926) 8.314 2.946 ( -5.278 -2.891 2.215) 6.413 3.037 ( -2.423 -2.009 9.000) 9.534 3.256 ( 2.929 2.466 4.030) 5.559 3.544 ( 1.405 -2.684 5.120) 5.949 3.556 ( 2.507 6.546 -9.832) 12.075 3.875 ( 4.437 2.583 1.974) 5.501 4.141 ( 3.669 2.464 -5.860) 7.340 4.385 ( 1.185 2.134 -4.111) 4.781 4.566 ( -2.085 4.958 -4.925) 7.293 4.727 ( 4.419 -4.404 3.827) 7.319 5.093 ( 1.147 0.683 -4.191) 4.399 5.210 ( -0.262 5.452 6.814) 8.731 5.616 ( -3.516 8.954 -1.143) 9.687 5.831 ( -0.747 0.795 -3.515) 3.680 6.193 ( 1.354 7.809 7.954) 11.229 6.355 ( -7.741 -18.007 -5.870) 20.460 6.808 ( -0.569 -6.570 -4.624) 8.055 6.879 ( 5.391 2.450 -1.706) 6.163 7.153 ( 6.608 -3.256 3.940) 8.355 7.369 ( 0.743 5.368 -7.560) 9.302 7.454 ( -8.986 13.119 -10.380) 18.990 7.628 ( -7.088 -2.565 1.484) 7.683 8.011 ( -2.003 -7.886 -1.162) 8.219 8.016 ( -0.997 5.692 0.301) 5.786 8.290 ( -0.729 3.185 -6.371) 7.160 8.880 ( -7.568 7.655 7.135) 12.915 9.169 ( 2.872 11.104 2.754) 11.795 10.226 ( 0.359 -0.596 4.350) 4.405 10.311 ( 0.443 -5.380 -2.674) 6.024 11.638 ( -1.427 4.431 7.399) 8.742 12.326 ( -0.534 -0.714 7.816) 7.867 13.060 ( 6.043 6.926 19.728) 21.764 14.001 ( 2.790 -0.482 -13.166) 13.467 14.741 ( -0.395 -1.965 -5.628) 5.974 14.859 ( 2.416 -1.967 -1.002) 3.273 ======================= Grid point 282 (136/251) ======================= q-point: (-0.30 -0.30 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.917 ( -14.502 -0.000 4.500) 15.184 1.075 ( -15.164 -0.000 13.396) 20.234 1.697 ( -14.445 -0.000 9.229) 17.142 1.960 ( -2.094 -0.000 6.384) 6.719 2.260 ( 8.167 0.000 -3.711) 8.971 2.438 ( 3.210 0.000 -0.091) 3.211 2.606 ( 3.605 0.000 1.292) 3.829 2.609 ( -9.257 -0.000 13.092) 16.034 2.896 ( 0.883 0.000 8.945) 8.989 3.384 ( -1.401 -0.000 5.772) 5.940 3.399 ( 3.500 0.000 4.011) 5.324 3.941 ( 11.048 0.000 -2.457) 11.318 3.969 ( 4.898 0.000 -7.227) 8.730 4.175 ( -4.623 -0.000 -14.119) 14.857 4.473 ( -0.321 -0.000 -9.603) 9.609 4.663 ( -0.311 -0.000 -7.638) 7.645 4.802 ( -5.447 -0.000 -9.283) 10.763 4.843 ( 7.786 0.000 -4.226) 8.859 5.555 ( -6.051 -0.000 1.735) 6.294 5.646 ( -6.482 -0.000 -2.309) 6.880 5.900 ( 9.627 0.000 12.875) 16.076 6.025 ( 1.424 0.000 5.636) 5.813 6.076 ( 4.792 0.000 3.665) 6.033 6.668 ( -8.017 -0.000 4.707) 9.297 6.759 ( -2.458 -0.000 5.340) 5.879 7.219 ( 2.588 0.000 1.310) 2.901 7.381 ( -7.481 -0.000 9.450) 12.053 7.886 ( -14.333 -0.000 10.965) 18.046 7.913 ( -5.425 -0.000 -13.179) 14.252 7.922 ( 8.255 0.000 7.284) 11.009 8.151 ( -0.323 -0.000 -3.362) 3.377 8.785 ( -2.871 -0.000 -3.744) 4.718 8.939 ( 1.384 0.000 -12.353) 12.430 9.314 ( 3.096 0.000 -10.560) 11.005 10.308 ( -1.330 -0.000 2.933) 3.220 10.387 ( -4.323 -0.000 -1.770) 4.671 11.700 ( 0.307 0.000 4.218) 4.229 12.264 ( 4.771 0.000 2.931) 5.599 13.161 ( 20.041 0.000 35.675) 40.919 13.943 ( -5.403 -0.000 -1.481) 5.603 14.669 ( 3.961 0.000 -2.608) 4.743 14.751 ( -5.520 -0.000 -13.560) 14.640 ======================= Grid point 283 (137/251) ======================= q-point: (-0.20 -0.30 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.914 ( -11.719 -9.701 4.664) 15.912 1.048 ( -12.893 -7.554 11.143) 18.640 1.623 ( -14.949 -3.961 12.423) 19.837 1.938 ( -2.176 1.620 4.506) 5.259 2.307 ( 8.531 2.251 -0.356) 8.830 2.461 ( 2.296 1.846 3.661) 4.699 2.499 ( 1.662 3.955 4.956) 6.555 2.745 ( -0.641 -7.727 6.147) 9.895 2.951 ( 3.276 -2.279 9.754) 10.539 3.316 ( 0.228 3.488 4.729) 5.881 3.481 ( 2.377 -1.474 3.089) 4.167 3.920 ( 1.097 8.776 -6.985) 11.270 3.983 ( 7.684 2.053 -4.987) 9.387 4.174 ( 5.433 -2.610 -8.504) 10.423 4.436 ( -1.753 1.110 -6.142) 6.483 4.606 ( -0.150 3.014 -7.194) 7.802 4.725 ( -1.061 0.130 -5.814) 5.912 5.046 ( 2.886 -12.302 -7.175) 14.531 5.313 ( -4.183 13.682 3.129) 14.645 5.624 ( -9.810 -5.439 -5.084) 12.315 5.965 ( 0.614 4.908 6.202) 7.932 6.066 ( -0.730 2.970 2.977) 4.268 6.277 ( 7.063 -18.463 4.050) 20.179 6.658 ( -9.405 -3.115 1.046) 9.962 6.674 ( 4.411 7.220 9.423) 12.664 7.205 ( 2.437 2.548 0.604) 3.578 7.402 ( -7.358 -6.107 7.777) 12.326 7.718 ( -14.656 5.986 6.823) 17.239 7.747 ( -6.353 8.035 -9.496) 13.968 7.951 ( 4.234 4.033 4.047) 7.111 8.202 ( 4.075 -2.039 -4.015) 6.073 8.708 ( 0.259 17.527 -11.813) 21.138 8.845 ( -5.306 -7.334 1.660) 9.203 9.441 ( 4.173 -5.322 -10.297) 12.320 10.181 ( -2.912 6.011 -1.103) 6.770 10.356 ( -2.125 2.754 2.691) 4.398 11.708 ( 0.293 0.354 3.113) 3.147 12.310 ( 2.553 -0.673 4.034) 4.821 13.341 ( 20.615 6.708 31.764) 38.457 13.935 ( -1.620 -3.099 -3.791) 5.157 14.680 ( -3.419 -0.645 -9.877) 10.472 14.732 ( 1.713 -3.502 -2.104) 4.430 ======================= Grid point 284 (138/251) ======================= q-point: (-0.10 -0.30 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( -8.337 -12.230 3.463) 15.201 1.177 ( -9.263 -13.519 8.169) 18.311 1.694 ( -7.481 -11.657 9.997) 17.082 1.899 ( -0.306 1.866 2.431) 3.080 2.306 ( 4.045 4.095 2.039) 6.106 2.386 ( 1.564 6.083 8.595) 10.645 2.528 ( 5.546 -0.431 -1.891) 5.875 2.869 ( -0.269 -4.712 5.327) 7.117 3.030 ( 2.469 -0.806 8.450) 8.840 3.301 ( 1.151 0.358 4.775) 4.924 3.508 ( 1.902 -0.940 2.200) 3.056 3.736 ( 3.209 10.156 -9.743) 14.435 3.976 ( 5.477 3.894 0.029) 6.721 4.211 ( 4.676 2.615 -5.742) 7.854 4.407 ( -0.718 0.434 -3.724) 3.817 4.580 ( 0.775 -0.521 -5.450) 5.529 4.714 ( 0.309 -0.579 -2.355) 2.445 5.118 ( -2.342 3.883 -2.921) 5.394 5.238 ( 0.364 -4.944 0.968) 5.051 5.655 ( -7.861 -5.125 -11.538) 14.872 5.815 ( -5.961 6.542 0.199) 8.852 6.042 ( -4.381 -3.783 4.667) 7.435 6.442 ( -1.003 12.505 12.178) 17.484 6.594 ( -3.687 -11.620 -7.371) 14.246 6.852 ( 9.806 -10.971 3.361) 15.093 7.199 ( 4.577 1.314 2.689) 5.469 7.463 ( -5.460 -2.993 2.039) 6.552 7.503 ( -4.805 10.126 -2.486) 11.481 7.571 ( -13.470 0.024 -1.391) 13.542 7.905 ( 4.635 4.437 0.099) 6.417 8.173 ( -2.425 6.764 -7.520) 10.400 8.406 ( 3.344 11.607 -5.480) 13.264 8.895 ( -8.532 -1.115 4.735) 9.821 9.394 ( 5.036 10.181 -5.221) 12.501 10.189 ( 0.515 -6.717 -4.844) 8.298 10.277 ( -1.421 4.236 6.568) 7.943 11.696 ( -0.239 1.959 3.603) 4.108 12.332 ( -0.282 0.189 6.398) 6.407 13.331 ( 9.160 12.116 24.983) 29.238 13.983 ( 3.683 -1.673 -11.357) 12.056 14.681 ( -0.942 -3.028 -4.853) 5.797 14.823 ( 3.031 -4.031 -0.612) 5.080 ======================= Grid point 293 (139/251) ======================= q-point: (-0.20 -0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.736 ( -10.805 -0.000 10.342) 14.956 0.878 ( -16.075 -0.000 10.161) 19.017 1.482 ( -17.469 -0.000 21.236) 27.498 1.947 ( -1.180 -0.000 1.904) 2.240 2.430 ( 13.352 0.000 0.003) 13.352 2.489 ( 1.106 0.000 4.649) 4.779 2.583 ( 0.150 0.000 11.960) 11.961 2.674 ( 4.303 0.000 1.993) 4.742 2.984 ( 5.778 0.000 12.571) 13.835 3.362 ( -4.049 -0.000 5.509) 6.837 3.493 ( 5.483 0.000 3.633) 6.578 4.021 ( 1.673 0.000 -3.488) 3.868 4.083 ( 8.600 0.000 -3.152) 9.160 4.121 ( 6.340 0.000 -13.107) 14.560 4.429 ( -1.197 -0.000 -9.691) 9.765 4.617 ( -1.755 -0.000 -8.297) 8.481 4.682 ( -4.527 -0.000 -11.937) 12.766 4.943 ( 7.006 0.000 -5.989) 9.216 5.438 ( -18.762 -0.000 -4.666) 19.333 5.461 ( -6.606 -0.000 3.686) 7.565 6.041 ( 1.353 0.000 4.011) 4.233 6.104 ( -3.268 -0.000 1.716) 3.691 6.162 ( 14.484 0.000 11.311) 18.377 6.515 ( -8.791 -0.000 -0.673) 8.816 6.811 ( 2.622 0.000 7.302) 7.758 7.224 ( -2.269 -0.000 -2.360) 3.274 7.296 ( -6.161 -0.000 9.212) 11.083 7.700 ( -11.701 -0.000 13.983) 18.233 7.726 ( -10.183 -0.000 -15.387) 18.451 8.075 ( 5.742 0.000 8.140) 9.962 8.207 ( 6.236 0.000 -2.087) 6.576 8.713 ( -4.196 -0.000 -3.545) 5.493 8.919 ( 1.872 0.000 -12.329) 12.470 9.324 ( 2.991 0.000 -10.073) 10.508 10.269 ( -10.158 -0.000 0.596) 10.175 10.316 ( 0.882 0.000 2.341) 2.502 11.721 ( 0.871 0.000 2.986) 3.111 12.330 ( 2.246 0.000 1.905) 2.945 13.692 ( 30.580 0.000 27.508) 41.132 13.861 ( -4.221 -0.000 -0.264) 4.229 14.612 ( -5.596 -0.000 -7.049) 9.000 14.720 ( 3.498 0.000 -2.256) 4.162 ======================= Grid point 294 (140/251) ======================= q-point: (-0.10 -0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.787 ( -7.454 -9.739 8.983) 15.202 0.879 ( -13.004 -11.080 9.967) 19.779 1.471 ( -10.523 -7.778 22.929) 26.400 1.929 ( 0.113 1.439 0.511) 1.531 2.435 ( 1.571 4.939 6.662) 8.441 2.531 ( 9.426 3.441 5.173) 11.290 2.580 ( 4.838 2.114 4.477) 6.922 2.783 ( 1.968 -6.249 5.021) 8.254 3.074 ( 6.959 -0.543 12.147) 14.010 3.321 ( -1.996 0.838 5.121) 5.560 3.529 ( 2.005 0.761 2.644) 3.405 3.914 ( 2.577 8.662 -8.426) 12.356 4.095 ( 8.932 3.648 -4.106) 10.485 4.253 ( 5.844 -3.128 -4.562) 8.047 4.385 ( -1.660 0.307 -5.507) 5.760 4.565 ( -1.145 0.604 -9.091) 9.183 4.668 ( -2.418 -2.630 -9.272) 9.936 5.068 ( 2.201 -8.093 -9.646) 12.782 5.181 ( -15.446 6.124 1.172) 16.657 5.446 ( -7.191 -4.181 -0.954) 8.373 5.948 ( -6.405 9.745 2.856) 12.006 6.061 ( -0.362 2.369 3.339) 4.110 6.354 ( 1.386 -8.036 -0.961) 8.211 6.565 ( -3.838 -4.836 5.563) 8.310 6.794 ( 7.043 0.793 5.504) 8.974 7.208 ( -2.723 -2.185 -3.220) 4.750 7.347 ( -3.074 -6.033 7.113) 9.821 7.503 ( -10.461 7.179 1.314) 12.755 7.637 ( -4.492 5.899 -0.048) 7.415 8.056 ( 4.229 5.382 7.823) 10.395 8.235 ( 3.019 2.933 -8.655) 9.624 8.683 ( 1.521 14.659 -10.419) 18.049 8.766 ( -5.110 -4.062 1.632) 6.729 9.471 ( 4.412 -6.401 -11.157) 13.598 10.127 ( -4.020 2.214 0.482) 4.614 10.328 ( -2.551 1.676 4.069) 5.087 11.727 ( 1.020 0.853 2.663) 2.976 12.344 ( -0.024 0.135 2.852) 2.855 13.683 ( 6.039 13.359 18.061) 23.262 13.975 ( 7.910 -1.350 -5.703) 9.844 14.624 ( 4.316 -2.847 1.103) 5.287 14.775 ( 3.274 -3.583 -0.991) 4.954 ======================= Grid point 304 (141/251) ======================= q-point: (-0.10 -0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.674 ( -12.638 -0.000 13.459) 18.463 0.696 ( -0.260 -0.000 17.835) 17.837 1.368 ( -8.372 -0.000 28.853) 30.043 1.948 ( 1.146 0.000 -0.551) 1.272 2.495 ( -2.679 -0.000 7.404) 7.874 2.629 ( 9.202 0.000 2.538) 9.546 2.665 ( 4.000 0.000 7.810) 8.775 2.759 ( 6.052 0.000 4.528) 7.558 3.164 ( 9.688 0.000 17.247) 19.782 3.302 ( -5.367 -0.000 3.331) 6.317 3.560 ( 0.846 0.000 3.574) 3.673 4.014 ( 1.295 0.000 -5.737) 5.881 4.189 ( 6.224 0.000 -2.893) 6.864 4.241 ( 10.852 0.000 -6.550) 12.676 4.372 ( -0.708 -0.000 -9.656) 9.682 4.554 ( -1.834 -0.000 -10.023) 10.189 4.581 ( -2.635 -0.000 -16.000) 16.216 5.007 ( 4.381 0.000 -8.769) 9.802 5.067 ( -24.590 -0.000 1.184) 24.618 5.389 ( -4.470 -0.000 4.799) 6.559 5.988 ( -11.194 -0.000 1.239) 11.262 6.057 ( -0.747 -0.000 2.932) 3.026 6.413 ( 10.297 0.000 5.839) 11.837 6.414 ( -3.909 -0.000 -1.025) 4.041 6.868 ( 1.070 0.000 6.374) 6.463 7.140 ( -5.424 -0.000 -4.119) 6.811 7.269 ( -2.535 -0.000 6.937) 7.386 7.553 ( -2.662 -0.000 -9.855) 10.208 7.641 ( -4.004 -0.000 15.845) 16.343 8.159 ( 2.006 0.000 6.516) 6.818 8.282 ( 5.194 0.000 -7.488) 9.113 8.641 ( -2.960 -0.000 -4.038) 5.007 8.911 ( 2.791 0.000 -12.066) 12.385 9.337 ( 3.318 0.000 -9.346) 9.917 10.100 ( -11.759 -0.000 5.385) 12.933 10.344 ( 1.448 0.000 2.278) 2.699 11.752 ( 1.804 0.000 2.928) 3.439 12.343 ( -0.996 -0.000 0.091) 1.000 13.822 ( -0.884 -0.000 1.473) 1.718 14.023 ( -2.930 -0.000 -2.429) 3.806 14.733 ( 25.276 0.000 9.461) 26.988 14.755 ( 1.821 0.000 -1.706) 2.495 ======================= Grid point 305 (142/251) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( 2.295 0.000 15.015) 15.190 1.229 ( 9.237 0.000 17.170) 19.497 1.886 ( 1.796 0.000 15.595) 15.698 1.910 ( 2.777 0.000 -5.007) 5.726 2.548 ( -6.800 -0.000 4.267) 8.028 2.809 ( -0.203 -0.000 6.949) 6.952 2.860 ( -3.956 -0.000 6.851) 7.912 3.044 ( 10.537 0.000 5.531) 11.901 3.251 ( -7.400 -0.000 1.259) 7.506 3.511 ( 1.900 0.000 6.295) 6.576 3.832 ( 10.055 0.000 1.391) 10.151 3.877 ( 4.531 0.000 -8.488) 9.622 4.128 ( -2.364 -0.000 -8.785) 9.097 4.184 ( -4.771 -0.000 -9.808) 10.907 4.259 ( 4.189 0.000 -0.554) 4.226 4.279 ( -0.381 -0.000 3.129) 3.152 4.402 ( 9.230 0.000 -1.996) 9.444 4.754 ( 0.857 0.000 -12.545) 12.574 4.901 ( -8.878 -0.000 5.433) 10.408 5.381 ( -6.023 -0.000 -1.528) 6.214 6.002 ( -4.590 -0.000 12.313) 13.140 6.100 ( -4.183 -0.000 4.026) 5.805 6.400 ( -1.534 -0.000 2.324) 2.784 6.506 ( -0.877 -0.000 1.666) 1.883 6.899 ( -5.209 -0.000 -1.734) 5.490 7.080 ( 2.244 0.000 3.954) 4.546 7.203 ( -6.785 -0.000 -3.618) 7.689 7.550 ( 11.078 0.000 -5.292) 12.278 7.907 ( -7.972 -0.000 12.035) 14.436 8.133 ( 7.552 0.000 -6.658) 10.068 8.339 ( 2.208 0.000 7.756) 8.064 8.532 ( 2.837 0.000 -4.204) 5.071 8.674 ( 3.580 0.000 -11.989) 12.512 9.080 ( -1.090 -0.000 -15.037) 15.077 10.135 ( -6.388 -0.000 7.658) 9.973 10.397 ( 1.759 0.000 -0.054) 1.760 11.886 ( 1.972 0.000 5.563) 5.902 12.245 ( -3.911 -0.000 -4.297) 5.810 13.856 ( -10.986 -0.000 3.541) 11.542 13.907 ( 3.601 0.000 2.705) 4.504 14.742 ( -0.157 -0.000 -0.107) 0.190 15.006 ( 7.736 0.000 -7.300) 10.636 ======================= Grid point 306 (143/251) ======================= q-point: ( 0.10 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( 3.527 -5.455 11.481) 13.191 1.281 ( 7.954 5.184 16.799) 19.296 1.918 ( 3.846 -0.224 -4.202) 5.701 1.990 ( 5.353 -3.716 7.756) 10.130 2.486 ( -6.970 0.925 6.163) 9.350 2.674 ( -6.279 8.779 5.393) 12.065 2.944 ( -4.172 -5.807 5.588) 9.075 3.091 ( 4.725 3.637 5.094) 7.842 3.187 ( -1.201 2.392 2.433) 3.617 3.486 ( 1.887 4.587 2.220) 5.434 3.844 ( 3.670 3.133 -3.557) 5.995 3.891 ( 7.296 4.672 -2.589) 9.042 4.035 ( 0.580 2.670 -4.447) 5.219 4.148 ( -2.552 -1.704 -8.356) 8.902 4.247 ( -4.339 1.684 -2.200) 5.148 4.384 ( 0.125 -6.978 -0.933) 7.041 4.491 ( 6.213 -1.231 -2.158) 6.691 4.797 ( 2.359 -5.766 -11.137) 12.761 4.924 ( -1.333 -6.947 10.305) 12.500 5.374 ( -6.346 -4.977 -2.203) 8.360 5.871 ( -3.469 13.433 13.289) 19.211 6.102 ( -3.435 -2.436 2.332) 4.814 6.334 ( 2.727 3.668 3.559) 5.793 6.612 ( -3.176 -6.465 5.293) 8.939 6.787 ( -4.718 6.760 -1.778) 8.433 7.091 ( 1.999 1.391 0.379) 2.464 7.128 ( -2.867 1.771 -6.185) 7.043 7.584 ( 9.362 4.149 -6.254) 11.999 7.839 ( -6.053 2.472 6.932) 9.528 8.180 ( 5.077 0.861 -2.074) 5.552 8.276 ( 6.789 7.906 4.458) 11.335 8.541 ( 3.732 9.542 -10.363) 14.573 8.653 ( -0.381 -6.729 1.810) 6.978 9.177 ( 1.890 -10.519 -16.552) 19.702 10.135 ( -4.171 -3.095 6.743) 8.512 10.377 ( 0.547 3.387 1.511) 3.749 11.888 ( 0.808 2.164 6.152) 6.572 12.239 ( -3.443 -3.379 -4.195) 6.393 13.723 ( -11.879 5.130 5.977) 14.253 13.934 ( 4.033 1.288 2.911) 5.138 14.729 ( -1.614 0.885 -0.454) 1.896 14.997 ( 2.627 3.255 -8.473) 9.449 ======================= Grid point 307 (144/251) ======================= q-point: ( 0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( -0.326 -0.937 8.916) 8.971 1.306 ( 9.372 -0.690 12.241) 15.432 1.966 ( 5.822 -2.005 -5.800) 8.459 2.051 ( 4.203 2.492 -2.512) 5.494 2.446 ( -7.948 8.662 7.419) 13.902 2.473 ( -5.910 -0.814 6.674) 8.952 2.912 ( -5.184 7.451 -4.600) 10.176 3.042 ( -0.665 1.924 9.459) 9.676 3.184 ( -1.014 -0.951 8.907) 9.015 3.430 ( 6.976 4.709 -5.825) 10.236 3.759 ( -1.053 5.471 -2.564) 6.133 3.848 ( 4.314 5.025 -0.845) 6.676 4.040 ( 5.020 0.319 -4.938) 7.048 4.146 ( -9.642 1.903 -1.256) 9.908 4.179 ( -0.824 -3.483 -0.012) 3.580 4.479 ( 0.068 -4.989 -0.058) 4.990 4.524 ( 5.157 1.248 -1.905) 5.638 4.924 ( 1.642 -8.364 -12.716) 15.308 5.128 ( 0.519 -10.624 9.742) 14.424 5.426 ( -4.658 -3.133 -0.486) 5.635 5.580 ( -4.385 13.705 11.166) 18.214 6.104 ( -1.700 2.183 -0.538) 2.818 6.329 ( 4.942 1.245 1.988) 5.470 6.524 ( -3.047 11.704 7.056) 14.002 6.732 ( 0.056 -1.063 -4.331) 4.460 7.043 ( 2.710 0.357 -5.015) 5.711 7.165 ( 0.028 -4.598 -4.023) 6.109 7.557 ( 6.195 3.539 -3.272) 7.849 7.760 ( -2.162 3.539 0.346) 4.161 8.036 ( -1.981 12.404 -1.947) 12.711 8.297 ( 5.557 -0.157 -1.139) 5.675 8.424 ( 5.451 5.079 -0.742) 7.488 8.793 ( 1.811 -7.146 5.505) 9.200 9.337 ( 5.218 -6.219 -13.801) 16.011 10.180 ( -3.834 -3.803 3.869) 6.643 10.306 ( -0.517 4.458 3.863) 5.921 11.853 ( -1.100 2.644 7.643) 8.162 12.284 ( -2.039 -4.393 -2.787) 5.588 13.530 ( -12.854 6.619 8.088) 16.567 13.932 ( 5.177 3.484 1.486) 6.414 14.684 ( -1.958 1.926 -1.406) 3.086 14.930 ( -0.242 3.182 -8.231) 8.828 ======================= Grid point 308 (145/251) ======================= q-point: ( 0.30 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( 2.575 -0.594 5.807) 6.380 1.432 ( 4.620 -3.987 3.975) 7.283 1.993 ( 4.447 3.930 -5.912) 8.377 2.050 ( 4.213 -0.640 -3.629) 5.597 2.246 ( -4.974 5.023 3.004) 7.681 2.449 ( -4.466 3.882 1.997) 6.245 2.676 ( -9.686 8.754 -3.945) 13.638 3.038 ( 2.553 1.766 11.688) 12.093 3.209 ( -4.263 -1.974 9.153) 10.288 3.387 ( 8.481 6.257 -10.745) 15.051 3.652 ( 0.105 6.207 -0.260) 6.214 3.769 ( -0.225 4.389 3.737) 5.769 3.995 ( -5.934 2.738 -3.800) 7.560 4.137 ( 2.677 -3.831 -4.504) 6.491 4.224 ( -3.442 -2.282 2.592) 4.876 4.510 ( 4.849 3.676 2.124) 6.446 4.602 ( 1.611 -6.542 3.465) 7.576 5.028 ( -1.384 1.553 -6.262) 6.599 5.132 ( -2.030 4.011 -1.801) 4.843 5.377 ( -2.481 -3.533 -4.274) 6.075 5.566 ( -6.911 -6.075 4.239) 10.131 5.983 ( 4.345 9.655 1.103) 10.645 6.328 ( 1.761 8.738 6.093) 10.797 6.373 ( 4.527 -0.610 -5.200) 6.921 6.762 ( 6.699 -0.708 -0.962) 6.805 7.091 ( 0.607 -3.441 -6.381) 7.275 7.229 ( -2.226 -3.415 -3.954) 5.679 7.560 ( 3.558 1.480 3.132) 4.965 7.697 ( 1.632 2.389 -4.269) 5.157 7.824 ( -4.253 5.834 -3.950) 8.230 8.313 ( 3.030 1.740 -0.687) 3.561 8.414 ( 3.923 0.828 2.953) 4.980 8.927 ( 1.825 -3.900 6.687) 7.954 9.386 ( 5.911 4.320 -7.348) 10.373 10.223 ( -3.160 -4.028 1.324) 5.288 10.256 ( -0.828 0.610 3.484) 3.633 11.816 ( -2.489 1.648 10.371) 10.792 12.340 ( -0.928 -3.272 0.446) 3.431 13.337 ( -12.295 5.269 8.345) 15.766 13.891 ( 5.417 5.782 -2.630) 8.349 14.650 ( -0.788 -0.160 -1.078) 1.345 14.856 ( -0.817 2.923 -8.465) 8.992 ======================= Grid point 309 (146/251) ======================= q-point: ( 0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.311 ( 2.949 -5.916 -0.610) 6.639 1.526 ( 2.572 -3.505 0.608) 4.390 1.973 ( 4.447 1.036 -3.540) 5.778 2.006 ( -3.130 3.051 1.056) 4.497 2.215 ( 0.568 5.870 -8.962) 10.728 2.282 ( -0.102 4.769 -5.250) 7.093 2.499 ( -6.833 4.075 3.594) 8.730 3.053 ( 0.889 0.441 9.693) 9.743 3.219 ( -2.925 -0.905 6.786) 7.445 3.290 ( 3.659 7.461 -9.697) 12.771 3.535 ( -0.062 6.947 5.039) 8.583 3.748 ( -1.037 -1.551 4.683) 5.041 3.915 ( -3.239 1.161 -2.912) 4.508 4.185 ( 0.641 3.381 1.619) 3.803 4.228 ( 0.392 -2.724 -5.779) 6.401 4.463 ( 2.311 4.599 2.673) 5.799 4.759 ( 0.917 -8.900 7.800) 11.869 4.847 ( -1.688 6.271 -2.608) 6.998 5.184 ( -1.260 -4.406 -13.180) 13.954 5.367 ( -3.353 1.204 -11.772) 12.300 5.595 ( -4.454 -2.984 5.595) 7.749 5.950 ( 7.325 -1.176 2.576) 7.853 6.231 ( 4.855 6.164 -0.022) 7.847 6.421 ( 2.166 -2.386 -3.465) 4.732 6.848 ( 8.946 -1.344 -0.675) 9.071 7.098 ( -7.196 -0.216 -5.258) 8.914 7.233 ( -2.797 -1.367 -4.365) 5.362 7.514 ( 1.455 5.834 1.900) 6.306 7.690 ( 1.604 -0.597 -2.943) 3.404 7.805 ( 1.879 -4.366 -4.020) 6.225 8.256 ( 1.930 7.422 3.049) 8.253 8.500 ( 1.134 -7.717 2.168) 8.096 8.948 ( -3.327 2.091 4.513) 5.984 9.259 ( 4.679 12.669 1.446) 13.582 10.255 ( -0.365 -1.877 0.170) 1.920 10.314 ( -0.892 -5.382 1.171) 5.580 11.794 ( -3.328 0.761 13.701) 14.120 12.386 ( -0.214 -2.214 3.090) 3.807 13.201 ( -9.521 1.786 7.926) 12.516 13.811 ( 5.083 6.326 -7.991) 11.389 14.679 ( 0.717 -2.889 -0.280) 2.989 14.787 ( -0.170 2.605 -8.389) 8.786 ======================= Grid point 310 (147/251) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( 1.259 -9.320 -2.484) 9.727 1.611 ( 1.554 -3.800 1.029) 4.232 1.892 ( -3.647 7.136 -3.113) 8.597 2.001 ( 2.726 1.392 -3.445) 4.608 2.067 ( -1.339 1.741 -5.659) 6.070 2.221 ( -0.820 1.629 -7.245) 7.471 2.453 ( 5.062 2.354 4.555) 7.205 3.063 ( -1.387 0.670 5.135) 5.361 3.162 ( 0.458 5.727 -6.702) 8.828 3.236 ( -2.565 -1.974 5.068) 6.013 3.451 ( -0.100 3.085 6.987) 7.638 3.791 ( -3.730 -2.796 7.440) 8.779 3.906 ( 4.873 -0.479 -2.025) 5.298 4.096 ( -0.296 4.819 2.323) 5.358 4.268 ( 3.832 -0.522 -6.382) 7.462 4.418 ( -0.359 1.675 1.851) 2.523 4.826 ( -0.046 -4.100 -3.353) 5.296 4.946 ( 0.208 -9.151 6.702) 11.345 5.173 ( -0.166 2.555 -12.073) 12.342 5.323 ( -0.657 -4.352 -10.089) 11.007 5.625 ( -4.341 -2.329 4.487) 6.663 6.084 ( 1.541 -4.506 -10.906) 11.900 6.184 ( 4.396 0.546 3.803) 5.839 6.504 ( 3.547 -6.878 -3.471) 8.481 6.835 ( -3.437 7.270 -4.731) 9.330 7.057 ( -1.631 -1.906 3.098) 3.986 7.213 ( -2.700 -0.094 -7.279) 7.764 7.423 ( 2.791 6.256 -1.187) 6.953 7.738 ( 5.368 -2.458 -2.357) 6.357 7.920 ( 1.734 -6.161 -1.851) 6.662 8.106 ( -2.957 8.488 3.733) 9.733 8.604 ( -1.550 2.618 0.031) 3.043 8.866 ( -4.131 1.733 7.715) 8.921 9.107 ( 2.252 4.602 5.935) 7.840 10.287 ( 0.137 -1.208 0.006) 1.216 10.377 ( -0.512 -1.571 -0.060) 1.654 11.787 ( -3.872 -0.161 15.195) 15.681 12.431 ( 0.653 -1.867 2.859) 3.476 13.167 ( -4.968 -2.873 9.818) 11.372 13.738 ( 4.617 3.641 -11.839) 13.219 14.708 ( 0.400 1.755 -5.203) 5.506 14.771 ( 1.677 -3.087 -3.119) 4.698 ======================= Grid point 311 (148/251) ======================= q-point: (-0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( -5.414 8.393 1.852) 10.158 1.671 ( 0.995 -0.419 2.581) 2.797 1.823 ( 4.255 -2.728 -11.592) 12.646 1.898 ( -8.836 3.237 0.141) 9.412 2.099 ( 0.612 -4.943 0.377) 4.995 2.301 ( 6.447 -7.322 -2.962) 10.196 2.479 ( 7.896 0.418 3.446) 8.625 2.981 ( -4.521 4.834 2.261) 6.994 3.115 ( 0.567 0.128 -3.948) 3.991 3.270 ( -0.821 -2.146 5.380) 5.850 3.458 ( 1.169 -2.063 3.682) 4.379 3.793 ( -2.327 1.014 7.440) 7.861 3.996 ( 7.722 -3.154 2.767) 8.789 4.052 ( 0.705 1.140 2.412) 2.759 4.286 ( 3.676 0.331 -4.855) 6.099 4.404 ( -2.753 -1.195 -0.338) 3.020 4.875 ( -0.751 0.674 -2.067) 2.301 5.039 ( 2.133 1.857 -0.470) 2.867 5.168 ( -1.430 -7.918 -2.468) 8.416 5.480 ( 4.014 -8.859 -6.200) 11.534 5.648 ( -4.152 -5.067 -0.305) 6.558 6.012 ( -7.191 0.909 -23.338) 24.437 6.288 ( -4.237 -7.330 9.544) 12.759 6.582 ( -5.315 5.693 -3.603) 8.582 6.804 ( 6.707 -13.519 -6.608) 16.474 7.016 ( -6.877 2.434 -0.753) 7.334 7.236 ( 8.143 0.123 -2.740) 8.593 7.339 ( 3.783 5.055 -0.233) 6.318 7.750 ( -1.556 7.345 0.170) 7.510 7.985 ( -3.383 -6.695 -8.098) 11.038 8.073 ( 4.122 -3.277 7.905) 9.498 8.356 ( -3.625 17.668 3.828) 18.438 8.871 ( -2.457 -2.420 5.623) 6.596 9.170 ( -0.466 -5.809 6.212) 8.517 10.286 ( 0.181 1.477 -0.443) 1.552 10.367 ( -0.406 1.499 0.401) 1.604 11.792 ( -3.685 -0.657 12.892) 13.424 12.458 ( 0.082 -0.096 1.966) 1.970 13.272 ( 0.363 -8.887 12.146) 15.055 13.716 ( 3.343 -0.001 -12.191) 12.641 14.661 ( 1.110 2.341 -6.371) 6.878 14.839 ( 1.961 -2.580 -1.961) 3.787 ======================= Grid point 312 (149/251) ======================= q-point: (-0.30 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( -5.420 10.983 1.860) 12.388 1.535 ( -6.182 12.122 8.537) 16.063 1.859 ( -3.033 -2.144 0.043) 3.714 1.897 ( 2.851 -2.159 -5.570) 6.619 2.253 ( 3.312 -10.151 3.539) 11.249 2.480 ( 5.164 -5.939 4.565) 9.098 2.589 ( 8.148 -4.048 3.654) 9.804 2.904 ( -3.043 -0.482 1.286) 3.339 3.130 ( 2.794 -1.111 -1.597) 3.404 3.315 ( -1.134 -2.909 2.039) 3.729 3.539 ( 3.146 -4.166 2.812) 5.930 3.761 ( 0.512 2.959 7.686) 8.252 4.040 ( 1.257 2.239 2.390) 3.508 4.121 ( 6.153 -3.458 1.055) 7.137 4.303 ( 1.073 -1.052 -2.203) 2.667 4.409 ( -3.454 -2.210 -3.570) 5.437 4.780 ( -0.133 7.421 -6.756) 10.037 5.014 ( -0.889 1.064 -0.442) 1.456 5.278 ( -2.085 -1.466 1.377) 2.897 5.524 ( 0.420 4.187 -7.975) 9.016 5.661 ( -3.387 -1.785 1.163) 4.002 6.038 ( -8.673 -12.085 -6.907) 16.401 6.430 ( -4.239 -10.072 6.571) 12.751 6.469 ( -5.505 0.490 -5.639) 7.896 6.890 ( -11.533 -6.076 -10.407) 16.680 7.156 ( 13.463 -9.684 -7.825) 18.337 7.224 ( 4.568 8.106 -2.859) 9.734 7.351 ( 2.557 -3.635 4.694) 6.464 7.557 ( -8.056 5.948 0.423) 10.023 8.036 ( 3.950 9.293 -0.099) 10.098 8.103 ( -3.800 -2.851 0.482) 4.775 8.212 ( 4.944 -4.825 5.162) 8.624 8.914 ( -5.947 -3.176 6.084) 9.081 9.249 ( 1.913 -2.452 -1.095) 3.298 10.232 ( 0.396 4.383 -1.404) 4.619 10.357 ( -0.748 -0.776 3.218) 3.394 11.796 ( -2.397 -0.331 9.167) 9.481 12.441 ( -1.313 1.614 0.984) 2.302 13.511 ( 2.780 -13.143 11.420) 17.632 13.737 ( 1.686 -2.051 -8.767) 9.160 14.630 ( 2.547 1.202 -5.318) 6.018 14.876 ( 2.497 -0.009 -1.928) 3.155 ======================= Grid point 313 (150/251) ======================= q-point: (-0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( -1.806 5.803 8.604) 10.534 1.275 ( -7.497 11.660 12.571) 18.713 1.875 ( 0.322 -0.912 -2.548) 2.725 1.914 ( 2.131 1.922 5.594) 6.287 2.491 ( 2.924 -11.741 5.466) 13.277 2.560 ( -1.932 -1.242 6.204) 6.615 2.748 ( 10.793 -4.366 7.744) 13.983 2.947 ( 1.611 -2.167 -0.090) 2.702 3.197 ( 1.856 -3.940 3.950) 5.879 3.364 ( -0.418 -3.872 -3.449) 5.202 3.660 ( 4.119 -4.908 5.992) 8.773 3.743 ( 2.161 0.903 5.513) 5.990 4.001 ( 1.313 1.806 -4.594) 5.108 4.197 ( 2.752 -1.371 -3.582) 4.721 4.330 ( 0.476 -0.585 2.709) 2.812 4.407 ( -1.036 -0.532 -6.713) 6.813 4.604 ( -1.353 10.489 -7.074) 12.724 4.949 ( -2.292 5.217 -6.452) 8.607 5.145 ( -5.403 8.000 0.528) 9.668 5.469 ( 0.010 0.317 -0.098) 0.332 5.767 ( -7.703 -11.760 5.732) 15.182 6.131 ( -1.061 -3.266 4.309) 5.510 6.333 ( -6.324 4.334 -4.837) 9.065 6.639 ( -6.352 -12.452 9.105) 16.682 6.978 ( -8.783 -4.962 -12.603) 16.142 7.039 ( 3.310 6.544 -1.134) 7.420 7.284 ( -5.913 6.728 -4.185) 9.886 7.358 ( 5.292 -7.321 -8.599) 12.472 7.650 ( 2.457 -12.518 8.428) 15.290 7.984 ( 10.092 1.602 1.104) 10.278 8.154 ( -3.976 -4.634 2.092) 6.454 8.348 ( 3.995 -6.354 -2.678) 7.969 8.853 ( -8.178 4.574 3.822) 10.120 9.295 ( 4.250 0.582 -10.193) 11.058 10.173 ( 1.380 1.993 2.120) 3.220 10.370 ( -3.112 -1.097 3.435) 4.763 11.809 ( -0.344 -0.910 6.697) 6.767 12.387 ( -2.301 2.810 -1.520) 3.937 13.763 ( -1.357 -9.496 0.386) 9.600 13.787 ( 1.619 -5.021 3.178) 6.159 14.655 ( 4.960 -1.807 -2.884) 6.015 14.880 ( 4.534 1.708 -1.474) 5.064 ======================= Grid point 314 (151/251) ======================= q-point: (-0.10 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( -0.534 5.417 14.896) 15.860 1.138 ( 2.359 1.487 16.086) 16.326 1.879 ( 1.071 1.693 6.347) 6.656 1.905 ( 2.046 1.203 2.848) 3.707 2.564 ( -5.535 -1.953 6.627) 8.853 2.699 ( 0.850 -8.027 4.983) 9.486 2.903 ( 9.206 -0.254 6.609) 11.335 2.953 ( 4.245 2.164 4.838) 6.790 3.269 ( -7.599 -4.510 4.828) 10.069 3.444 ( 4.271 -3.450 -1.085) 5.596 3.750 ( 5.253 -0.878 5.895) 7.945 3.810 ( 3.837 -3.802 -0.858) 5.469 4.040 ( 2.898 -6.271 -9.574) 11.806 4.218 ( -1.637 -1.659 -5.845) 6.292 4.308 ( 0.425 3.529 -2.159) 4.158 4.377 ( 0.818 10.963 1.444) 11.088 4.395 ( 3.766 3.411 -6.079) 7.923 4.818 ( 1.219 5.239 -13.230) 14.282 4.997 ( -11.521 2.311 4.495) 12.581 5.447 ( -2.861 2.031 0.810) 3.601 5.925 ( -8.050 -10.552 8.683) 15.860 6.141 ( -2.465 1.428 3.240) 4.314 6.305 ( -0.891 -5.111 2.260) 5.659 6.666 ( -5.138 8.744 4.389) 11.050 6.884 ( -5.060 -5.187 -2.311) 7.606 7.066 ( 0.177 1.347 -0.188) 1.371 7.220 ( -5.172 -4.733 -6.440) 9.520 7.467 ( 6.606 -1.873 -3.886) 7.890 7.868 ( -1.768 -7.561 11.845) 14.163 8.067 ( 8.570 -1.749 -5.784) 10.486 8.232 ( -1.259 -6.230 4.642) 7.870 8.501 ( 4.859 -7.323 -9.110) 12.658 8.692 ( -4.213 6.423 -0.649) 7.708 9.211 ( 1.394 7.876 -14.618) 16.663 10.173 ( -3.308 -0.030 6.238) 7.061 10.371 ( -0.626 -1.155 1.214) 1.789 11.846 ( 1.448 -1.368 5.690) 6.028 12.308 ( -3.224 2.751 -3.725) 5.643 13.837 ( -1.069 -4.124 -0.230) 4.266 13.900 ( -4.146 -3.599 4.121) 6.865 14.727 ( 2.544 -1.545 -1.233) 3.222 14.919 ( 9.646 -1.158 -2.871) 10.131 ======================= Grid point 316 (152/251) ======================= q-point: ( 0.10 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( 6.143 0.000 9.430) 11.255 1.439 ( 9.617 0.000 14.731) 17.592 1.945 ( 4.146 0.000 -6.984) 8.122 2.003 ( 6.530 0.000 11.488) 13.214 2.453 ( -6.982 -0.000 3.823) 7.960 2.742 ( -11.897 -0.000 12.010) 16.905 2.797 ( -5.778 -0.000 2.345) 6.236 3.155 ( 0.560 0.000 -0.704) 0.899 3.233 ( 4.035 0.000 5.639) 6.934 3.545 ( -0.959 -0.000 10.415) 10.459 3.936 ( 7.223 0.000 -9.708) 12.100 3.968 ( -4.940 -0.000 6.247) 7.965 4.023 ( 4.021 0.000 -12.875) 13.488 4.057 ( -4.465 -0.000 -13.728) 14.435 4.269 ( -0.314 -0.000 -3.764) 3.777 4.346 ( 6.961 0.000 -2.480) 7.390 4.497 ( 2.699 0.000 -4.616) 5.347 4.756 ( 4.783 0.000 -5.641) 7.396 4.880 ( 1.188 0.000 12.524) 12.580 5.260 ( -7.867 -0.000 -4.556) 9.091 6.023 ( 0.460 0.000 15.210) 15.217 6.048 ( -4.030 -0.000 4.709) 6.198 6.410 ( 2.252 0.000 0.065) 2.253 6.508 ( -0.284 -0.000 6.507) 6.513 6.847 ( -2.303 -0.000 4.231) 4.817 7.097 ( -4.612 -0.000 -3.924) 6.055 7.133 ( 3.660 0.000 1.092) 3.819 7.705 ( 11.562 0.000 -9.405) 14.905 7.800 ( -9.688 -0.000 7.786) 12.429 8.234 ( 7.341 0.000 -3.753) 8.245 8.407 ( 1.668 0.000 10.139) 10.276 8.593 ( 5.617 0.000 -2.058) 5.982 8.692 ( 4.328 0.000 -11.991) 12.749 9.004 ( -0.194 -0.000 -18.517) 18.518 10.086 ( -3.301 -0.000 7.501) 8.195 10.420 ( 1.122 0.000 0.694) 1.319 11.928 ( 0.365 0.000 6.340) 6.350 12.168 ( -3.686 -0.000 -4.056) 5.480 13.685 ( -13.709 -0.000 9.496) 16.677 13.980 ( 4.289 0.000 1.966) 4.718 14.716 ( -3.084 -0.000 0.372) 3.107 15.017 ( -1.116 -0.000 -11.444) 11.499 ======================= Grid point 317 (153/251) ======================= q-point: ( 0.20 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.196 ( 5.357 -2.034 5.690) 8.076 1.485 ( 9.907 4.927 14.718) 18.413 1.965 ( 4.674 -0.876 -7.788) 9.125 2.101 ( 5.863 -1.074 1.816) 6.231 2.401 ( -7.477 -0.295 8.564) 11.373 2.553 ( -11.238 8.463 6.698) 15.581 2.861 ( -6.908 -6.715 5.166) 10.931 3.084 ( -4.210 5.610 -1.749) 7.229 3.247 ( 2.649 3.135 7.905) 8.907 3.530 ( 0.859 2.368 7.162) 7.592 3.820 ( -5.347 4.591 -2.310) 7.416 3.949 ( 2.924 4.023 -10.210) 11.357 4.021 ( -2.645 -2.635 2.214) 4.341 4.112 ( 1.327 -2.907 -9.433) 9.960 4.233 ( 7.182 7.035 -9.732) 13.992 4.378 ( 0.195 -4.033 -2.198) 4.597 4.543 ( 3.077 -2.629 -7.194) 8.254 4.823 ( 4.590 -3.204 -6.202) 8.355 4.996 ( 3.435 -7.421 14.376) 16.539 5.251 ( -6.886 -6.463 -3.277) 9.996 5.908 ( 1.009 15.470 15.211) 21.719 6.062 ( -2.811 -2.781 3.986) 5.615 6.401 ( 4.168 1.864 2.388) 5.152 6.613 ( 0.147 -6.210 7.357) 9.629 6.737 ( -2.745 8.833 4.682) 10.368 7.094 ( 1.815 -1.068 -4.649) 5.103 7.135 ( 3.792 2.004 -1.546) 4.559 7.679 ( 1.547 5.184 0.691) 5.454 7.767 ( -0.308 1.243 -4.895) 5.059 8.211 ( 0.327 7.155 -2.745) 7.671 8.419 ( 6.625 6.544 2.105) 9.547 8.552 ( 3.732 5.803 -5.299) 8.700 8.685 ( 2.966 -5.858 -0.285) 6.572 9.164 ( 4.306 -13.447 -16.228) 21.510 10.103 ( -2.529 -2.289 5.685) 6.630 10.394 ( 0.755 3.775 2.372) 4.522 11.907 ( -1.553 2.843 7.112) 7.815 12.179 ( -2.298 -4.401 -3.629) 6.150 13.548 ( -14.298 4.856 12.177) 19.399 14.008 ( 4.006 0.969 0.975) 4.236 14.683 ( -3.716 0.705 -0.057) 3.783 14.955 ( -2.578 2.245 -11.277) 11.783 ======================= Grid point 318 (154/251) ======================= q-point: ( 0.30 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.266 ( 5.058 -0.453 3.693) 6.279 1.509 ( 10.094 3.536 10.614) 15.068 2.029 ( 5.193 -2.929 -7.883) 9.884 2.096 ( 3.375 3.846 -4.385) 6.738 2.312 ( -11.234 8.838 5.878) 15.455 2.398 ( -8.054 -3.160 8.800) 12.341 2.791 ( -7.089 10.331 -5.611) 13.728 3.032 ( -3.653 -4.927 7.527) 9.709 3.203 ( -0.940 3.526 7.861) 8.667 3.518 ( 4.583 2.505 0.661) 5.265 3.717 ( -3.390 3.325 -1.900) 5.115 3.855 ( -4.195 6.257 0.752) 7.570 4.024 ( -2.562 -0.267 -6.500) 6.992 4.126 ( 7.935 4.705 -4.934) 10.461 4.159 ( -2.137 -2.197 -1.086) 3.252 4.495 ( 1.881 -6.823 -0.233) 7.081 4.589 ( 4.437 -0.227 -5.201) 6.840 4.904 ( 1.165 -5.893 -12.127) 13.533 5.161 ( -0.693 -4.565 8.890) 10.018 5.348 ( -3.029 -7.113 0.740) 7.767 5.608 ( 1.169 19.140 12.986) 23.159 6.079 ( -1.547 0.294 1.516) 2.186 6.417 ( 5.092 0.835 0.221) 5.164 6.521 ( -1.181 10.650 10.205) 14.798 6.769 ( 4.243 -5.014 2.158) 6.914 7.082 ( 3.318 2.801 -3.451) 5.547 7.185 ( 5.986 -2.558 -6.456) 9.168 7.612 ( -1.614 2.493 4.727) 5.583 7.724 ( 3.155 2.285 -8.154) 9.037 7.974 ( -4.972 13.537 -5.673) 15.497 8.339 ( 2.404 2.482 -4.426) 5.615 8.540 ( 7.452 5.018 1.340) 9.083 8.851 ( 2.737 -8.094 5.079) 9.940 9.381 ( 6.281 -7.851 -12.682) 16.184 10.127 ( -3.945 -2.692 2.901) 5.588 10.322 ( 0.242 4.935 4.235) 6.508 11.849 ( -3.195 2.701 8.548) 9.517 12.256 ( -0.346 -5.484 -2.148) 5.900 13.356 ( -14.063 6.339 13.350) 20.401 14.002 ( 3.470 3.124 -1.747) 4.986 14.643 ( -2.567 0.565 0.065) 2.629 14.877 ( -1.744 2.201 -10.258) 10.635 ======================= Grid point 319 (155/251) ======================= q-point: ( 0.40 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.314 ( 6.341 0.409 2.818) 6.951 1.551 ( 8.236 1.218 2.482) 8.688 2.020 ( -1.480 3.831 -3.719) 5.541 2.049 ( -1.766 4.475 3.101) 5.724 2.199 ( -0.778 -3.287 -4.003) 5.237 2.384 ( -4.657 2.099 1.197) 5.246 2.528 ( -5.793 8.549 -4.719) 11.354 3.095 ( 0.139 -0.171 8.512) 8.515 3.158 ( -5.662 -0.935 6.078) 8.359 3.472 ( 6.623 8.404 -9.377) 14.228 3.639 ( -2.221 3.147 2.985) 4.873 3.705 ( -9.813 2.779 6.353) 12.015 3.954 ( 1.945 3.796 -4.685) 6.336 4.152 ( -3.451 -2.542 -1.024) 4.407 4.213 ( 5.527 -2.757 -1.534) 6.365 4.570 ( 1.805 3.691 0.463) 4.134 4.633 ( 0.320 -6.505 2.778) 7.080 4.991 ( -0.053 -0.275 -8.513) 8.517 5.094 ( -2.427 6.231 -1.530) 6.859 5.323 ( -1.518 3.621 -3.330) 5.148 5.522 ( 0.208 -3.939 6.911) 7.957 6.055 ( 3.471 2.643 2.754) 5.159 6.371 ( 0.366 6.301 5.573) 8.420 6.452 ( 6.823 2.015 -0.969) 7.180 6.892 ( 8.626 -2.993 0.764) 9.162 7.040 ( -2.782 1.674 -4.771) 5.771 7.229 ( 3.957 1.545 -6.388) 7.671 7.588 ( -2.307 0.651 4.843) 5.403 7.703 ( -0.487 3.797 -8.623) 9.434 7.780 ( 3.982 0.513 -1.895) 4.439 8.351 ( 2.089 -1.871 -2.510) 3.764 8.472 ( 2.369 6.245 0.818) 6.729 8.954 ( -0.908 -0.531 4.386) 4.510 9.451 ( 4.863 3.639 -5.248) 8.028 10.180 ( -2.467 -5.912 1.357) 6.548 10.263 ( -0.224 1.470 3.014) 3.361 11.805 ( -3.756 1.130 10.802) 11.492 12.342 ( 0.605 -3.819 1.165) 4.038 13.178 ( -12.215 4.037 11.706) 17.394 13.941 ( 2.846 5.603 -6.118) 8.770 14.641 ( -0.202 -1.677 1.085) 2.008 14.813 ( -0.328 2.169 -9.435) 9.687 ======================= Grid point 320 (156/251) ======================= q-point: ( 0.50 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( 5.461 -2.625 -0.356) 6.070 1.604 ( 6.914 -0.441 -0.875) 6.983 1.918 ( -6.885 2.217 2.765) 7.744 2.000 ( -1.890 1.351 -0.183) 2.331 2.196 ( 3.015 4.567 -12.195) 13.367 2.237 ( -3.335 6.358 -4.336) 8.387 2.490 ( 3.316 -2.555 2.038) 4.656 3.074 ( -2.125 1.698 7.042) 7.549 3.165 ( -5.570 -2.120 3.993) 7.174 3.314 ( 3.005 9.475 -8.629) 13.163 3.531 ( -3.055 5.387 3.456) 7.092 3.695 ( -6.406 -4.328 10.217) 12.812 3.939 ( 5.170 0.127 -3.601) 6.301 4.147 ( -4.410 -0.007 3.156) 5.423 4.271 ( 5.114 0.270 -6.001) 7.889 4.487 ( -0.281 5.365 0.720) 5.421 4.773 ( -2.077 -7.406 4.724) 9.026 4.846 ( 2.400 4.813 0.470) 5.399 5.091 ( -4.012 -3.711 -14.439) 15.439 5.275 ( -2.042 0.249 -8.858) 9.094 5.607 ( 3.469 -1.850 8.625) 9.478 6.067 ( 5.064 0.488 1.332) 5.260 6.292 ( 1.590 4.762 1.349) 5.199 6.470 ( 6.850 0.272 -3.280) 7.600 6.896 ( -7.892 4.542 -6.974) 11.470 7.052 ( 9.410 -0.978 1.091) 9.523 7.197 ( 0.497 1.148 -3.744) 3.948 7.514 ( -1.497 3.784 -1.781) 4.442 7.695 ( -0.298 -3.672 -3.078) 4.801 7.880 ( 8.920 -2.911 -0.368) 9.390 8.267 ( -2.485 10.387 -0.713) 10.704 8.515 ( 0.256 -8.056 0.769) 8.096 8.893 ( -4.571 3.872 4.396) 7.430 9.316 ( 0.847 12.533 2.276) 12.766 10.250 ( -0.190 -2.948 -0.115) 2.956 10.313 ( 0.124 -4.873 1.639) 5.143 11.785 ( -4.041 0.354 13.554) 14.148 12.404 ( 0.759 -2.370 3.465) 4.266 13.087 ( -8.467 -1.155 9.513) 12.788 13.842 ( 3.012 5.954 -9.967) 11.994 14.694 ( 1.044 -3.080 0.656) 3.318 14.762 ( 0.984 1.813 -8.310) 8.562 ======================= Grid point 321 (157/251) ======================= q-point: (-0.40 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( 1.558 -5.063 -1.814) 5.600 1.657 ( 3.686 0.065 -0.406) 3.709 1.823 ( -3.602 2.163 -0.122) 4.204 1.980 ( -2.127 4.152 -2.570) 5.326 2.038 ( -0.406 3.824 -6.870) 7.873 2.224 ( 3.950 -4.196 -7.609) 9.545 2.570 ( 6.965 0.047 4.159) 8.112 3.028 ( -5.197 2.961 3.836) 7.106 3.119 ( -2.174 1.760 -1.662) 3.254 3.247 ( 1.402 -0.459 1.129) 1.858 3.452 ( -2.380 1.234 3.133) 4.123 3.745 ( -4.523 -3.640 9.233) 10.907 4.006 ( 6.841 -2.202 -1.227) 7.290 4.102 ( -0.906 2.423 4.777) 5.433 4.301 ( 3.195 -1.444 -7.705) 8.465 4.402 ( -2.130 3.017 1.105) 3.855 4.813 ( -0.672 -2.821 -0.619) 2.966 4.935 ( -4.194 -8.331 -1.519) 9.450 5.149 ( 4.501 -4.466 -13.695) 15.092 5.236 ( -4.220 -3.776 -4.715) 7.369 5.653 ( 4.166 1.984 7.919) 9.166 6.053 ( -0.747 4.653 -8.259) 9.509 6.228 ( -0.076 2.272 0.715) 2.383 6.577 ( 2.911 -4.170 -4.949) 7.096 6.728 ( -1.922 2.667 -2.809) 4.325 7.023 ( -2.902 4.756 -2.901) 6.281 7.278 ( 10.333 -3.305 0.496) 10.860 7.445 ( 1.040 3.920 -3.145) 5.132 7.791 ( 2.006 -6.762 -4.265) 8.242 7.926 ( -0.665 6.715 -1.491) 6.911 8.088 ( -0.549 2.231 3.888) 4.516 8.558 ( -3.831 5.805 0.893) 7.012 8.851 ( -1.482 -1.139 8.184) 8.395 9.132 ( -1.743 4.471 4.705) 6.721 10.289 ( 0.199 -1.022 -0.290) 1.081 10.371 ( -0.301 -1.078 0.531) 1.239 11.777 ( -4.237 -0.214 14.898) 15.490 12.450 ( 0.222 -1.351 2.298) 2.675 13.132 ( -3.700 -7.277 10.648) 13.417 13.758 ( 3.199 3.705 -12.182) 13.129 14.700 ( 1.304 2.223 -5.953) 6.486 14.788 ( 1.495 -3.742 -2.335) 4.657 ======================= Grid point 322 (158/251) ======================= q-point: (-0.30 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( -5.644 10.083 0.942) 11.593 1.702 ( -1.726 6.238 5.800) 8.691 1.774 ( -3.435 -2.424 -4.315) 6.024 1.862 ( 6.309 -1.294 -10.993) 12.740 2.117 ( 1.079 -7.339 2.261) 7.755 2.377 ( 4.455 -9.529 -5.790) 12.007 2.628 ( 8.015 -0.113 8.034) 11.349 2.917 ( -4.700 4.020 3.592) 7.153 3.120 ( 1.630 -1.551 -2.646) 3.473 3.279 ( -0.281 -1.186 3.527) 3.732 3.477 ( 0.170 -4.590 0.444) 4.614 3.773 ( -3.208 -1.168 6.092) 6.984 4.077 ( 2.857 0.032 -0.305) 2.873 4.117 ( 3.841 -2.613 7.334) 8.682 4.315 ( 1.444 1.298 -3.735) 4.210 4.357 ( -2.267 -0.254 -0.626) 2.365 4.796 ( -7.203 0.982 -4.357) 8.475 5.090 ( 0.160 -7.603 2.662) 8.057 5.122 ( 1.110 1.345 -6.263) 6.501 5.482 ( 1.374 -19.178 -12.569) 22.971 5.646 ( 1.666 0.840 3.099) 3.617 5.853 ( -2.621 11.613 -11.849) 16.797 6.247 ( -4.982 -5.975 4.279) 8.879 6.478 ( -5.776 4.442 -3.228) 7.970 6.797 ( -2.000 1.940 -8.953) 9.377 7.023 ( 6.173 -9.615 -0.700) 11.447 7.353 ( 1.594 2.040 1.321) 2.907 7.413 ( 10.436 2.671 -2.296) 11.014 7.677 ( -6.217 12.524 -1.696) 14.084 7.936 ( -1.386 -8.059 -6.400) 10.384 8.150 ( 3.284 -2.955 7.055) 8.324 8.338 ( -0.964 12.896 5.409) 14.017 8.866 ( -1.129 -0.319 7.014) 7.111 9.174 ( -0.865 -6.218 2.948) 6.935 10.282 ( -0.292 1.643 -1.097) 1.997 10.360 ( -0.884 1.154 1.336) 1.974 11.782 ( -3.438 -0.808 12.790) 13.268 12.453 ( -1.563 0.734 1.277) 2.147 13.316 ( -0.272 -12.081 12.026) 17.049 13.722 ( 2.654 0.460 -11.429) 11.742 14.662 ( 1.800 1.849 -5.923) 6.461 14.855 ( 1.173 -2.964 -3.059) 4.418 ======================= Grid point 323 (159/251) ======================= q-point: (-0.20 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( -3.430 8.099 4.470) 9.866 1.456 ( -7.212 12.628 8.624) 16.907 1.865 ( 3.769 -2.234 -2.095) 4.857 1.929 ( 4.174 -2.735 -6.698) 8.353 2.299 ( 0.449 -11.287 4.538) 12.174 2.531 ( -0.169 -3.919 1.663) 4.261 2.756 ( 9.388 -4.583 10.510) 14.819 2.879 ( -1.337 -3.295 -0.303) 3.569 3.179 ( 3.111 -2.454 2.183) 4.524 3.295 ( -0.784 -1.606 -2.426) 3.013 3.595 ( 2.791 -6.602 0.493) 7.184 3.769 ( -1.449 -0.088 3.212) 3.525 4.060 ( 1.494 3.806 -1.245) 4.274 4.205 ( 2.426 -1.601 3.804) 4.788 4.291 ( -3.604 -0.740 3.514) 5.088 4.370 ( 1.159 -1.983 -3.591) 4.263 4.677 ( -7.368 4.214 -7.274) 11.178 5.046 ( 4.907 6.478 -2.931) 8.639 5.234 ( -5.229 -5.011 5.667) 9.196 5.470 ( -2.243 8.067 -11.597) 14.303 5.664 ( 0.567 3.165 6.192) 6.977 5.938 ( -1.544 -19.160 -6.287) 20.224 6.336 ( -4.559 -2.045 -3.949) 6.368 6.405 ( -5.274 -5.718 4.387) 8.930 6.732 ( -3.428 -3.554 -9.694) 10.880 7.163 ( -1.528 1.397 -8.464) 8.714 7.362 ( -3.035 3.641 0.104) 4.742 7.416 ( 11.757 7.048 -4.914) 14.562 7.487 ( 1.958 -5.905 5.724) 8.454 8.020 ( -5.488 -5.821 -2.208) 8.299 8.161 ( 8.880 6.838 4.079) 11.927 8.281 ( 1.519 -3.904 3.940) 5.751 8.859 ( -3.487 1.468 7.113) 8.056 9.284 ( 3.682 -4.341 -4.553) 7.289 10.232 ( 0.156 2.947 -0.325) 2.969 10.339 ( -2.953 0.130 3.183) 4.344 11.798 ( -1.646 -1.087 9.292) 9.499 12.410 ( -2.706 2.178 0.079) 3.475 13.552 ( -2.726 -12.042 8.883) 15.210 13.744 ( 3.081 -2.533 -5.333) 6.660 14.654 ( 2.457 -0.481 -4.652) 5.283 14.898 ( 1.468 -1.511 -3.704) 4.261 ======================= Grid point 324 (160/251) ======================= q-point: (-0.10 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.137 ( 3.772 0.546 13.114) 13.657 1.225 ( -4.125 9.277 11.136) 15.069 1.902 ( 4.243 0.304 -3.954) 5.808 1.983 ( 4.410 0.361 1.965) 4.842 2.506 ( -4.122 -8.148 9.263) 13.007 2.532 ( -3.449 -2.660 3.390) 5.519 2.937 ( 7.374 -5.375 5.035) 10.422 2.972 ( 1.664 -4.510 1.166) 4.947 3.196 ( -4.368 1.241 9.772) 10.775 3.369 ( 4.015 -6.029 -8.474) 11.149 3.743 ( 4.309 -6.708 0.691) 8.003 3.786 ( 2.107 -1.263 1.445) 2.850 4.003 ( 2.198 1.740 -5.492) 6.167 4.196 ( -0.655 1.681 -2.932) 3.443 4.288 ( -7.482 -1.197 3.225) 8.235 4.434 ( 4.796 -2.325 -0.215) 5.335 4.527 ( -3.562 6.223 -5.509) 9.042 4.932 ( 2.631 8.303 -8.844) 12.413 5.100 ( -1.509 12.428 4.959) 13.466 5.465 ( -1.242 -1.908 1.127) 2.540 5.662 ( -8.722 -8.453 7.504) 14.278 6.129 ( -1.100 -3.764 0.344) 3.937 6.273 ( 0.669 1.019 -0.621) 1.368 6.566 ( -5.987 -11.449 8.321) 15.367 6.810 ( -6.105 -4.599 -11.115) 13.489 7.044 ( 0.021 2.252 -4.519) 5.049 7.199 ( -2.886 6.570 -3.432) 7.954 7.460 ( 8.648 -2.933 -6.361) 11.129 7.731 ( 3.628 -10.094 6.057) 12.319 8.088 ( -4.585 -7.607 1.265) 8.972 8.159 ( 10.706 3.057 1.698) 11.262 8.386 ( 2.344 -6.435 -3.729) 7.798 8.777 ( -2.959 5.632 4.792) 7.965 9.316 ( 4.002 3.598 -12.785) 13.871 10.197 ( -0.091 2.285 3.760) 4.400 10.326 ( -3.524 -1.897 3.276) 5.172 11.833 ( 0.085 -1.974 6.967) 7.242 12.335 ( -3.051 3.470 -2.591) 5.297 13.683 ( -8.750 -7.400 2.756) 11.787 13.846 ( 4.212 -4.413 3.455) 7.011 14.698 ( 1.413 -2.721 -2.525) 3.972 14.932 ( 3.060 -1.862 -4.779) 5.972 ======================= Grid point 327 (161/251) ======================= q-point: ( 0.20 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( 7.993 0.000 3.639) 8.783 1.618 ( 6.786 0.000 11.264) 13.150 1.977 ( 3.294 0.000 -9.255) 9.824 2.137 ( 5.672 0.000 2.996) 6.415 2.359 ( -7.754 -0.000 5.991) 9.798 2.578 ( -13.933 -0.000 14.959) 20.443 2.730 ( -1.667 -0.000 0.545) 1.754 3.095 ( -7.763 -0.000 -1.412) 7.890 3.317 ( 2.768 0.000 7.661) 8.146 3.551 ( -4.185 -0.000 12.993) 13.651 3.773 ( -15.347 -0.000 4.687) 16.046 3.964 ( -0.233 -0.000 -12.522) 12.524 4.036 ( 9.528 0.000 -12.499) 15.716 4.080 ( -0.125 -0.000 -7.702) 7.703 4.273 ( 5.351 0.000 -8.257) 9.839 4.461 ( 10.379 0.000 -10.488) 14.755 4.472 ( -1.057 -0.000 -8.125) 8.193 4.831 ( 3.913 0.000 -4.848) 6.230 4.988 ( 4.714 0.000 17.494) 18.118 5.132 ( -4.615 -0.000 -2.294) 5.153 6.022 ( -1.855 -0.000 6.552) 6.809 6.104 ( 2.070 0.000 15.104) 15.245 6.473 ( 6.326 0.000 -1.524) 6.507 6.537 ( -0.849 -0.000 11.434) 11.466 6.838 ( -2.634 -0.000 9.713) 10.064 7.046 ( 0.045 0.000 -2.786) 2.786 7.213 ( 6.700 0.000 -0.033) 6.700 7.683 ( -7.909 -0.000 5.159) 9.443 7.834 ( 9.700 0.000 -11.806) 15.279 8.324 ( 5.977 0.000 -4.123) 7.261 8.447 ( -1.814 -0.000 11.119) 11.266 8.650 ( 1.233 0.000 -2.223) 2.542 8.720 ( 4.593 0.000 -11.469) 12.355 8.971 ( 5.289 0.000 -18.122) 18.878 10.090 ( 0.787 0.000 5.952) 6.004 10.441 ( 1.182 0.000 1.762) 2.122 11.939 ( -2.257 -0.000 7.798) 8.118 12.105 ( -2.743 -0.000 -3.106) 4.144 13.506 ( -14.773 -0.000 15.260) 21.239 14.043 ( 2.954 0.000 0.097) 2.956 14.658 ( -4.061 -0.000 0.197) 4.066 14.923 ( -4.253 -0.000 -13.094) 13.767 ======================= Grid point 328 (162/251) ======================= q-point: ( 0.30 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.317 ( 8.787 -0.273 1.360) 8.896 1.658 ( 5.098 2.524 10.766) 12.177 1.997 ( 3.322 -2.212 -10.229) 10.979 2.166 ( 2.660 1.217 -4.419) 5.299 2.299 ( -9.987 -0.292 8.701) 13.249 2.407 ( -10.370 8.857 11.392) 17.770 2.815 ( -0.434 -4.418 2.219) 4.963 2.962 ( -10.113 3.984 -0.219) 10.871 3.297 ( 0.185 4.859 7.196) 8.685 3.540 ( -5.021 -0.750 13.273) 14.211 3.686 ( -9.517 -1.121 0.700) 9.608 3.941 ( 0.581 3.259 -8.722) 9.329 3.983 ( -2.230 2.093 -4.722) 5.626 4.108 ( 2.824 -1.346 -8.123) 8.705 4.333 ( 7.303 8.806 -8.956) 14.529 4.386 ( 3.197 -6.085 -5.815) 9.004 4.567 ( 5.489 -3.091 -13.340) 14.753 4.830 ( -1.918 -1.276 -11.370) 11.601 5.108 ( 3.692 -4.448 15.059) 16.130 5.203 ( 2.917 -7.608 3.626) 8.919 5.984 ( 0.962 14.489 13.216) 19.635 6.050 ( -1.147 -0.505 7.322) 7.428 6.473 ( 3.196 2.054 3.129) 4.922 6.659 ( 1.990 -5.494 8.755) 10.525 6.722 ( -2.376 7.027 8.582) 11.344 7.148 ( 6.481 -6.478 -2.563) 9.515 7.213 ( 6.893 5.648 -0.323) 8.917 7.620 ( -6.519 1.508 4.453) 8.038 7.830 ( 8.190 4.895 -11.582) 15.006 8.167 ( -3.785 13.646 -4.454) 14.845 8.452 ( -0.039 8.895 -3.897) 9.712 8.655 ( 7.741 -3.724 2.862) 9.054 8.719 ( 1.996 -4.323 -3.660) 6.005 9.190 ( 5.617 -14.895 -14.221) 21.346 10.104 ( 0.581 0.915 3.769) 3.922 10.417 ( 0.730 3.990 3.083) 5.095 11.892 ( -3.855 3.319 8.233) 9.677 12.143 ( -0.981 -5.758 -2.209) 6.245 13.377 ( -14.171 4.685 17.438) 22.953 14.054 ( 1.877 0.936 -1.715) 2.709 14.626 ( -3.332 0.169 0.133) 3.339 14.862 ( -3.182 0.536 -12.554) 12.962 ======================= Grid point 329 (163/251) ======================= q-point: ( 0.40 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.389 ( 9.043 0.502 0.992) 9.111 1.657 ( 3.789 2.491 5.719) 7.298 2.060 ( 1.905 -1.288 -7.700) 8.036 2.122 ( 1.077 2.483 -6.746) 7.269 2.183 ( -6.866 9.297 12.435) 16.976 2.282 ( -9.325 -5.068 5.803) 12.096 2.665 ( -6.393 10.482 -5.879) 13.613 3.002 ( -2.512 -6.712 4.846) 8.651 3.206 ( -1.941 5.228 5.767) 8.023 3.556 ( -4.028 -2.218 13.649) 14.403 3.635 ( -4.344 1.569 -4.498) 6.447 3.775 ( -3.684 9.527 -3.942) 10.949 3.988 ( -1.212 -1.001 -4.541) 4.806 4.103 ( -3.687 0.666 -2.540) 4.526 4.249 ( 9.641 3.000 -4.161) 10.921 4.515 ( 0.519 -6.061 -1.357) 6.232 4.617 ( 1.872 -0.468 -9.516) 9.710 4.860 ( 0.781 -6.547 -16.799) 18.047 5.182 ( -0.184 1.721 8.737) 8.907 5.385 ( 6.275 -5.534 4.918) 9.705 5.684 ( 1.921 19.666 12.852) 23.571 6.070 ( -0.746 -1.245 3.508) 3.796 6.454 ( -1.794 3.071 5.523) 6.569 6.578 ( 4.189 5.850 6.793) 9.895 6.845 ( 3.051 -7.109 5.051) 9.239 7.139 ( 6.115 7.384 -1.518) 9.706 7.292 ( 9.552 -1.238 -5.717) 11.201 7.560 ( -5.019 -0.015 3.757) 6.269 7.780 ( 2.882 5.737 -13.498) 14.947 7.874 ( -1.559 9.528 -0.518) 9.669 8.346 ( 0.497 2.181 -4.985) 5.464 8.623 ( 2.397 7.065 -2.609) 7.903 8.913 ( 3.374 -6.974 4.908) 9.171 9.429 ( 4.912 -8.467 -10.519) 14.369 10.092 ( -1.407 -0.989 1.966) 2.612 10.333 ( -1.009 5.461 3.468) 6.547 11.822 ( -4.140 2.338 9.330) 10.471 12.255 ( 0.752 -6.537 -1.162) 6.682 13.204 ( -12.222 6.205 17.692) 22.381 14.023 ( 0.878 3.214 -5.237) 6.207 14.614 ( -1.312 -1.091 1.149) 2.057 14.815 ( -1.035 0.534 -10.900) 10.962 ======================= Grid point 330 (164/251) ======================= q-point: ( 0.50 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( 7.220 1.692 2.077) 7.701 1.671 ( 5.634 0.395 -1.426) 5.825 1.938 ( -5.287 6.707 3.670) 9.295 2.052 ( -1.476 5.523 3.583) 6.747 2.147 ( -4.046 -3.437 -3.684) 6.462 2.321 ( -2.574 -0.734 -3.690) 4.559 2.485 ( 1.596 2.835 -3.762) 4.974 3.073 ( -5.468 -3.018 2.514) 6.732 3.122 ( -1.181 3.000 5.168) 6.091 3.505 ( 1.747 11.040 -11.666) 16.156 3.565 ( -10.520 1.335 8.915) 13.853 3.624 ( -1.143 -0.165 6.304) 6.408 3.963 ( 0.159 0.969 -3.148) 3.297 4.076 ( -5.925 -2.379 2.877) 7.003 4.318 ( 7.899 -0.404 -3.844) 8.794 4.554 ( -3.324 2.462 -3.232) 5.250 4.636 ( -0.052 -6.033 0.089) 6.034 4.963 ( 1.725 -4.125 -12.572) 13.343 5.066 ( -0.756 10.266 4.525) 11.244 5.328 ( 3.010 10.102 -1.292) 10.620 5.629 ( 8.895 -2.699 9.072) 12.989 6.101 ( 1.302 -0.952 2.856) 3.280 6.362 ( -4.247 4.309 5.780) 8.368 6.570 ( 8.181 2.861 -0.839) 8.707 6.907 ( -2.850 3.350 -3.974) 5.928 7.121 ( 10.069 -1.169 3.314) 10.665 7.279 ( 5.017 6.484 -5.364) 9.797 7.541 ( -4.118 2.326 -1.344) 4.916 7.628 ( -2.474 0.017 -6.827) 7.262 7.911 ( 9.656 -3.012 1.719) 10.260 8.349 ( -1.611 -1.328 -4.722) 5.163 8.464 ( -3.277 7.233 -3.613) 8.724 8.959 ( 0.737 3.958 4.969) 6.395 9.479 ( 0.019 4.414 -2.961) 5.315 10.160 ( -0.774 -6.198 1.158) 6.352 10.267 ( -0.325 0.084 1.763) 1.794 11.785 ( -3.630 0.618 10.972) 11.573 12.360 ( 1.022 -4.274 1.224) 4.562 13.058 ( -8.923 3.452 14.925) 17.728 13.939 ( 0.775 5.119 -8.944) 10.334 14.649 ( 0.344 -2.773 1.506) 3.175 14.783 ( 0.842 1.067 -8.903) 9.006 ======================= Grid point 331 (165/251) ======================= q-point: ( 0.60 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( 5.603 0.047 0.458) 5.622 1.713 ( 6.901 0.702 -2.843) 7.497 1.826 ( -5.398 2.346 2.945) 6.581 1.959 ( -2.826 1.847 2.797) 4.384 2.148 ( -3.316 1.091 -3.573) 4.995 2.219 ( 2.359 5.717 -12.745) 14.166 2.570 ( 4.775 -5.246 2.099) 7.398 3.026 ( -5.924 1.442 1.734) 6.339 3.109 ( -2.409 -0.047 2.623) 3.561 3.317 ( 1.296 7.093 -7.855) 10.663 3.463 ( -6.614 2.678 5.311) 8.895 3.673 ( -1.727 -3.033 10.941) 11.485 3.989 ( 1.926 -3.742 -3.250) 5.317 4.086 ( -4.983 -2.303 3.499) 6.509 4.319 ( 3.891 3.219 -5.516) 7.478 4.451 ( -3.697 4.190 -4.274) 7.035 4.761 ( -0.466 -6.221 2.050) 6.567 4.888 ( 1.400 7.562 3.533) 8.463 5.029 ( 2.584 -4.357 -5.138) 7.215 5.250 ( 2.451 2.300 -8.799) 9.420 5.743 ( 8.320 0.538 8.619) 11.992 6.102 ( -0.726 2.481 3.059) 4.005 6.285 ( -1.078 2.266 -3.781) 4.538 6.581 ( 5.276 2.629 -6.563) 8.821 6.765 ( -1.787 4.784 -2.505) 5.688 7.154 ( 2.293 9.472 -4.482) 10.727 7.279 ( 8.685 -5.312 3.113) 10.646 7.481 ( 0.740 1.149 -3.525) 3.781 7.664 ( -1.904 -5.497 -3.780) 6.938 8.038 ( 7.650 0.526 1.565) 7.826 8.150 ( -9.232 8.595 -4.644) 13.442 8.509 ( -1.376 -6.806 -0.532) 6.964 8.875 ( 0.007 4.816 7.740) 9.116 9.286 ( -5.728 12.247 1.844) 13.645 10.251 ( 0.328 -3.814 0.027) 3.828 10.327 ( 0.937 -3.929 1.236) 4.224 11.773 ( -3.579 0.264 13.495) 13.964 12.425 ( 0.304 -2.177 2.388) 3.246 13.022 ( -4.575 -3.000 11.936) 13.130 13.834 ( 1.193 5.123 -11.598) 12.735 14.710 ( 0.757 -2.663 -0.654) 2.845 14.758 ( 1.862 0.936 -6.521) 6.845 ======================= Grid point 332 (166/251) ======================= q-point: (-0.30 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( -0.344 2.415 -0.448) 2.480 1.715 ( 4.903 1.355 -3.635) 6.252 1.773 ( -4.638 1.411 2.861) 5.629 1.950 ( 0.938 4.365 -4.483) 6.327 2.034 ( 3.203 -1.060 -4.888) 5.939 2.242 ( 1.505 -5.823 -8.513) 10.423 2.675 ( 2.348 -2.109 6.730) 7.433 2.952 ( -3.976 2.771 0.362) 4.860 3.098 ( -0.433 -0.925 0.605) 1.187 3.270 ( 1.488 -0.226 -1.367) 2.033 3.411 ( -3.679 -1.101 4.240) 5.720 3.727 ( -2.188 -2.357 8.198) 8.806 4.076 ( 0.831 -1.927 -0.907) 2.287 4.100 ( -0.392 -3.607 4.432) 5.728 4.312 ( 2.582 -1.230 -8.529) 8.996 4.356 ( -3.708 2.269 -2.858) 5.202 4.788 ( -2.079 4.248 3.059) 5.633 4.877 ( -0.400 -8.232 -2.078) 8.499 5.179 ( 0.371 -5.594 -1.589) 5.827 5.222 ( 6.807 -2.626 -10.449) 12.744 5.746 ( 2.692 5.262 3.695) 6.971 6.030 ( 0.223 6.335 2.661) 6.875 6.204 ( -0.192 4.884 -9.058) 10.292 6.474 ( -7.626 2.665 -6.420) 10.319 6.838 ( 11.802 -3.044 -3.227) 12.608 6.987 ( -1.553 5.864 -1.001) 6.148 7.386 ( 1.260 -0.164 -1.332) 1.841 7.505 ( 9.245 -0.259 -0.266) 9.252 7.767 ( -2.248 -7.655 -5.814) 9.872 7.824 ( -10.239 9.696 -3.784) 14.600 8.169 ( 6.709 -0.371 7.694) 10.215 8.503 ( -3.406 5.924 0.906) 6.893 8.876 ( 0.690 -1.410 8.221) 8.370 9.092 ( -4.794 1.753 3.481) 6.178 10.290 ( 0.023 -0.422 -0.388) 0.574 10.373 ( 0.290 -0.153 0.622) 0.703 11.768 ( -3.643 -0.181 15.027) 15.463 12.448 ( -1.169 -0.287 1.239) 1.727 13.137 ( -0.984 -9.447 11.976) 15.285 13.748 ( 1.503 2.959 -12.733) 13.158 14.705 ( 1.723 2.314 -5.093) 5.854 14.795 ( 0.619 -3.525 -3.337) 4.893 ======================= Grid point 333 (167/251) ======================= q-point: (-0.20 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( -3.971 10.099 0.053) 10.852 1.611 ( -7.910 9.423 3.843) 12.889 1.809 ( 6.101 -5.741 -5.554) 10.051 1.941 ( 7.654 0.133 -7.593) 10.782 2.146 ( 1.356 -6.867 3.074) 7.645 2.387 ( -0.111 -10.190 -6.738) 12.217 2.741 ( -1.169 -4.465 8.490) 9.663 2.882 ( 0.982 3.508 4.873) 6.084 3.148 ( 2.778 -3.447 -0.940) 4.526 3.285 ( 0.131 -0.071 0.711) 0.727 3.478 ( 0.280 -7.009 1.244) 7.124 3.744 ( -2.527 -0.848 2.879) 3.924 4.116 ( 0.954 -2.014 1.912) 2.936 4.151 ( -2.664 -0.869 2.179) 3.550 4.300 ( -0.799 0.763 -1.476) 1.844 4.349 ( 1.709 -1.361 -2.615) 3.408 4.694 ( -2.918 4.661 0.862) 5.566 5.008 ( -7.294 -8.686 0.654) 11.361 5.185 ( 5.954 1.873 -7.673) 9.891 5.476 ( 2.801 -15.793 -12.809) 20.526 5.644 ( -0.546 3.694 -3.136) 4.877 5.854 ( 1.528 12.326 4.252) 13.127 6.182 ( -3.408 -5.267 0.426) 6.288 6.394 ( -1.830 1.907 -5.474) 6.078 6.763 ( 0.364 7.358 -4.645) 8.709 7.102 ( 5.146 -6.892 -6.670) 10.885 7.362 ( -0.309 0.800 3.598) 3.699 7.519 ( -2.429 4.503 -0.404) 5.132 7.622 ( 5.354 7.434 -3.460) 9.793 7.867 ( -4.006 -6.408 -5.439) 9.311 8.225 ( 0.523 -1.622 8.289) 8.462 8.363 ( 3.350 7.429 3.258) 8.776 8.893 ( 1.189 1.392 7.632) 7.849 9.173 ( 0.209 -9.108 0.444) 9.121 10.271 ( -0.595 1.837 -0.753) 2.073 10.348 ( -1.333 2.192 1.357) 2.902 11.781 ( -2.693 -1.052 13.120) 13.435 12.423 ( -2.488 1.477 1.079) 3.089 13.342 ( -2.333 -11.160 11.042) 15.871 13.722 ( 2.894 -0.996 -9.938) 10.399 14.670 ( 1.468 1.631 -4.622) 5.116 14.850 ( 0.005 -3.182 -4.947) 5.882 ======================= Grid point 334 (168/251) ======================= q-point: (-0.10 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( -0.362 3.378 6.910) 7.700 1.399 ( -2.733 9.822 6.022) 11.841 1.935 ( 5.685 -3.177 -4.506) 7.919 1.980 ( 5.637 -0.517 -6.033) 8.272 2.297 ( -2.888 -9.817 4.758) 11.285 2.505 ( -3.445 -3.445 1.923) 5.237 2.819 ( -6.298 -6.877 -2.402) 9.629 2.926 ( 6.361 -3.603 12.519) 14.497 3.221 ( -1.494 0.145 10.426) 10.534 3.305 ( 6.133 -3.407 -11.069) 13.105 3.632 ( 2.456 -8.188 -1.036) 8.611 3.756 ( -0.452 -2.447 0.538) 2.546 4.072 ( 0.457 4.240 -4.934) 6.522 4.177 ( -7.191 -3.375 3.561) 8.705 4.252 ( -1.613 3.586 2.410) 4.612 4.420 ( 5.124 -3.284 1.142) 6.192 4.588 ( -1.442 5.119 -0.901) 5.394 5.072 ( 0.281 3.066 -8.810) 9.333 5.176 ( -4.142 -5.850 4.578) 8.505 5.414 ( -0.474 8.139 -6.547) 10.456 5.655 ( -5.329 6.503 5.940) 10.294 5.930 ( 2.540 -16.870 -3.440) 17.403 6.295 ( -0.069 -5.035 1.560) 5.272 6.355 ( -0.544 -2.991 -2.697) 4.064 6.701 ( 2.329 -0.667 -4.958) 5.518 7.108 ( -0.928 4.217 -6.996) 8.221 7.295 ( -4.012 6.562 -2.401) 8.057 7.492 ( 3.979 -0.338 -0.257) 4.001 7.632 ( 8.307 -4.598 0.338) 9.500 7.919 ( -6.108 -5.651 -2.608) 8.720 8.283 ( 1.595 -1.559 1.317) 2.590 8.321 ( 5.813 1.234 3.965) 7.144 8.870 ( 1.246 4.120 7.579) 8.716 9.328 ( 4.812 -4.776 -7.046) 9.778 10.236 ( 0.052 1.346 1.163) 1.780 10.292 ( -4.215 1.649 2.973) 5.415 11.809 ( -1.463 -1.672 9.768) 10.017 12.367 ( -2.488 2.752 -0.118) 3.711 13.483 ( -9.179 -7.756 6.457) 13.642 13.806 ( 5.832 -5.002 -1.430) 7.815 14.663 ( 0.458 -0.905 -3.292) 3.444 14.891 ( -0.013 -2.749 -6.269) 6.846 ======================= Grid point 338 (169/251) ======================= q-point: ( 0.30 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( 10.683 0.000 -0.148) 10.684 1.707 ( -1.131 -0.000 8.830) 8.902 1.973 ( 1.203 0.000 -10.388) 10.458 2.144 ( -8.347 -0.000 3.267) 8.963 2.268 ( -2.346 -0.000 -1.288) 2.676 2.454 ( -8.458 -0.000 15.769) 17.895 2.784 ( 6.997 0.000 2.302) 7.366 2.915 ( -13.852 -0.000 -0.870) 13.879 3.373 ( 1.010 0.000 7.399) 7.468 3.476 ( -12.119 -0.000 10.793) 16.228 3.600 ( -7.569 -0.000 7.210) 10.454 3.928 ( 0.206 0.000 -10.129) 10.131 3.979 ( -9.327 -0.000 -0.975) 9.378 4.148 ( 10.106 0.000 -11.991) 15.682 4.336 ( 5.701 0.000 -11.453) 12.793 4.443 ( 1.825 0.000 -9.764) 9.933 4.579 ( 10.731 0.000 -17.557) 20.577 4.746 ( -8.342 -0.000 -15.074) 17.228 5.137 ( 5.992 0.000 18.283) 19.240 5.182 ( 8.182 0.000 7.136) 10.857 6.033 ( -0.297 -0.000 7.354) 7.360 6.168 ( -1.009 -0.000 12.458) 12.499 6.538 ( -5.794 -0.000 15.487) 16.535 6.593 ( 9.205 0.000 -1.232) 9.287 6.838 ( -1.449 -0.000 11.088) 11.182 7.092 ( 6.798 0.000 -0.683) 6.832 7.341 ( 8.525 0.000 3.904) 9.376 7.589 ( -6.592 -0.000 3.586) 7.504 7.912 ( 6.007 0.000 -14.058) 15.288 8.397 ( 5.849 0.000 -5.277) 7.878 8.429 ( -5.142 -0.000 10.270) 11.485 8.609 ( -3.901 -0.000 -5.673) 6.885 8.748 ( 3.961 0.000 -10.680) 11.391 9.026 ( 7.811 0.000 -13.250) 15.381 10.152 ( 4.654 0.000 3.782) 5.996 10.469 ( 1.192 0.000 2.692) 2.944 11.917 ( -4.326 -0.000 9.374) 10.324 12.064 ( -1.206 -0.000 -1.789) 2.157 13.347 ( -13.358 -0.000 19.903) 23.970 14.068 ( 0.782 0.000 -2.213) 2.347 14.601 ( -2.999 -0.000 -0.367) 3.022 14.813 ( -3.149 -0.000 -13.758) 14.114 ======================= Grid point 339 (170/251) ======================= q-point: ( 0.40 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.475 ( 10.882 0.459 -0.505) 10.904 1.684 ( -6.065 0.533 6.452) 8.871 1.996 ( 0.218 -2.895 -7.297) 7.853 2.097 ( -10.231 -4.122 1.714) 11.162 2.219 ( -0.328 4.389 -2.207) 4.924 2.350 ( -2.999 8.061 14.328) 16.711 2.741 ( -11.219 6.192 -2.835) 13.124 2.900 ( 3.369 -4.924 3.035) 6.694 3.296 ( -3.908 5.758 5.950) 9.156 3.469 ( -7.569 -3.744 10.525) 13.494 3.590 ( -4.193 -1.812 6.398) 7.861 3.869 ( -8.328 3.793 0.530) 9.166 3.928 ( -1.762 -1.873 -6.149) 6.665 4.141 ( 5.106 5.299 -11.769) 13.880 4.387 ( 4.155 3.214 -7.304) 8.997 4.416 ( 2.894 -3.537 -8.448) 9.605 4.591 ( 1.365 -0.287 -15.175) 15.239 4.735 ( 1.574 -5.371 -19.026) 19.832 5.217 ( 3.887 -0.596 13.547) 14.106 5.347 ( 10.753 -6.611 7.815) 14.847 6.009 ( -2.411 9.584 8.421) 12.984 6.072 ( -1.131 4.154 9.973) 10.863 6.501 ( -2.501 1.608 10.226) 10.650 6.721 ( -2.061 1.003 9.914) 10.175 6.761 ( 7.995 0.428 4.667) 9.267 7.259 ( 7.802 -6.866 -0.545) 10.408 7.351 ( 9.588 5.924 4.378) 12.091 7.531 ( -6.967 1.119 3.074) 7.697 7.881 ( 3.591 4.691 -15.532) 16.617 8.106 ( -1.176 17.423 -0.995) 17.491 8.411 ( -3.599 6.689 -3.818) 8.501 8.714 ( -0.292 -0.945 -7.050) 7.119 8.773 ( 5.897 -9.799 2.232) 11.652 9.224 ( 4.688 -14.270 -12.156) 19.324 10.150 ( 3.979 4.703 2.115) 6.513 10.431 ( -0.817 5.193 3.098) 6.102 11.857 ( -4.304 3.259 9.165) 10.637 12.133 ( 0.417 -6.857 -0.758) 6.911 13.248 ( -10.993 4.300 21.244) 24.303 14.055 ( -0.057 1.266 -4.113) 4.304 14.586 ( -1.850 -0.739 -0.237) 2.006 14.778 ( -1.600 -0.895 -12.691) 12.823 ======================= Grid point 340 (171/251) ======================= q-point: ( 0.50 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( 4.356 1.932 3.204) 5.742 1.662 ( -1.362 -1.853 -0.641) 2.387 2.000 ( -8.789 -2.551 -1.101) 9.217 2.082 ( -1.719 6.271 0.863) 6.559 2.174 ( -0.738 -1.453 -1.461) 2.189 2.238 ( 1.753 3.172 9.545) 10.209 2.550 ( -6.011 5.344 -4.126) 9.040 2.995 ( 0.043 -3.276 1.319) 3.532 3.183 ( -3.034 4.506 3.356) 6.385 3.482 ( -8.014 -2.025 9.186) 12.357 3.607 ( -0.645 -1.090 5.618) 5.759 3.706 ( -3.584 9.715 -4.895) 11.453 3.923 ( -6.417 -1.896 0.077) 6.692 4.051 ( -0.684 3.000 -5.682) 6.461 4.377 ( 7.681 1.065 -4.777) 9.108 4.489 ( -3.090 -4.218 -3.088) 6.073 4.579 ( 0.276 -1.118 -11.125) 11.184 4.852 ( 6.154 -6.811 -17.756) 19.988 5.226 ( 1.593 5.058 9.009) 10.454 5.529 ( 7.721 0.654 4.437) 8.929 5.761 ( 3.399 11.685 11.340) 16.634 6.077 ( -0.342 -1.793 3.860) 4.270 6.437 ( -2.800 6.334 9.940) 12.115 6.662 ( 3.085 2.076 4.607) 5.921 6.900 ( 2.114 -4.131 4.411) 6.402 7.237 ( 3.898 7.644 1.991) 8.808 7.413 ( 5.342 3.476 -2.095) 6.709 7.507 ( -0.172 -3.764 0.464) 3.796 7.703 ( -0.541 10.800 -13.292) 17.135 7.945 ( 5.222 1.902 1.905) 5.875 8.309 ( -3.045 0.817 -5.462) 6.306 8.578 ( -5.475 9.340 -8.047) 13.489 9.001 ( 5.248 -5.313 5.121) 9.055 9.446 ( 1.223 -7.622 -8.176) 11.245 10.104 ( 2.240 1.335 1.556) 3.036 10.308 ( -3.398 5.542 1.891) 6.770 11.798 ( -3.176 1.821 9.705) 10.373 12.269 ( 1.487 -6.967 -0.505) 7.142 13.117 ( -7.362 6.030 20.414) 22.523 14.002 ( -0.312 3.414 -7.183) 7.959 14.604 ( -0.573 -2.375 0.432) 2.481 14.771 ( 0.269 -1.071 -9.986) 10.047 ======================= Grid point 341 (172/251) ======================= q-point: (-0.40 -0.70 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.518 ( 1.075 0.318 2.878) 3.089 1.708 ( 1.885 -2.529 -2.088) 3.783 1.901 ( -3.330 6.000 0.042) 6.862 2.016 ( -3.270 2.975 7.377) 8.600 2.113 ( 1.504 1.944 0.133) 2.461 2.268 ( -1.699 0.357 -8.037) 8.222 2.504 ( -0.249 -3.685 0.981) 3.822 3.009 ( -1.912 0.872 -1.875) 2.817 3.116 ( -1.027 1.497 1.630) 2.440 3.442 ( -5.884 2.689 1.206) 6.580 3.472 ( -3.144 9.126 -2.057) 9.869 3.650 ( 0.801 -1.793 8.069) 8.305 3.916 ( -6.376 -2.967 1.657) 7.225 4.018 ( -1.481 -0.672 0.683) 1.764 4.384 ( -0.072 1.541 -5.304) 5.524 4.485 ( 0.352 3.130 -6.441) 7.170 4.644 ( 1.037 -6.943 0.470) 7.036 4.967 ( 3.928 -4.714 -10.281) 11.973 5.105 ( 2.564 10.985 6.740) 13.141 5.391 ( 5.194 11.133 -0.838) 12.314 5.824 ( 10.556 -1.340 7.766) 13.173 6.128 ( 1.451 -1.766 3.217) 3.946 6.299 ( -4.951 5.356 3.938) 8.289 6.674 ( 5.460 2.550 -4.090) 7.283 6.883 ( 1.754 7.057 0.023) 7.272 7.174 ( -7.184 -1.399 1.319) 7.437 7.378 ( 9.480 4.022 -1.895) 10.471 7.522 ( 2.417 2.742 -2.375) 4.359 7.592 ( 2.204 0.647 -4.924) 5.433 8.040 ( 4.043 -5.099 2.436) 6.948 8.214 ( -11.264 8.680 -11.010) 17.984 8.392 ( -3.263 -1.941 -3.108) 4.906 9.031 ( 5.028 6.560 7.575) 11.211 9.416 ( -7.095 7.266 -1.616) 10.283 10.165 ( 0.993 -5.177 0.999) 5.366 10.268 ( 0.053 -2.936 0.167) 2.941 11.778 ( -2.290 0.392 10.905) 11.150 12.379 ( 0.885 -4.078 0.730) 4.236 13.019 ( -3.284 3.313 16.806) 17.442 13.909 ( -0.094 4.914 -10.100) 11.232 14.655 ( -0.010 -3.317 -0.337) 3.334 14.775 ( 1.739 -0.007 -6.840) 7.057 ======================= Grid point 342 (173/251) ======================= q-point: (-0.30 -0.70 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.541 ( 3.174 0.449 1.518) 3.547 1.739 ( -1.930 0.282 -0.459) 2.004 1.812 ( 1.502 1.943 -1.481) 2.868 1.950 ( -0.054 2.219 6.318) 6.697 2.117 ( 2.211 2.118 -6.455) 7.144 2.184 ( -0.866 2.113 -11.094) 11.326 2.593 ( -5.658 -5.893 5.245) 9.708 2.965 ( 0.903 1.369 -4.663) 4.943 3.098 ( -0.088 0.849 0.926) 1.259 3.306 ( 0.680 4.014 -5.965) 7.222 3.396 ( -4.970 1.375 9.798) 11.072 3.702 ( 0.631 -1.351 8.512) 8.641 3.963 ( -4.410 -7.443 -0.571) 8.670 4.035 ( -1.820 -1.898 1.368) 2.964 4.334 ( -3.072 0.915 -4.796) 5.769 4.382 ( 2.132 6.179 -6.747) 9.394 4.778 ( 1.388 -5.572 2.543) 6.280 4.943 ( 3.541 10.514 6.631) 12.925 5.086 ( 4.393 -6.990 -2.844) 8.732 5.282 ( 5.362 6.286 -7.365) 11.069 5.864 ( 2.418 4.505 4.290) 6.674 6.104 ( -1.539 4.118 8.547) 9.611 6.278 ( 5.529 -1.455 -9.008) 10.669 6.526 ( -3.191 12.217 -12.076) 17.472 6.870 ( 9.900 -1.589 2.705) 10.385 7.104 ( -5.920 4.944 -4.411) 8.885 7.396 ( 6.260 1.873 -1.891) 6.802 7.526 ( -0.072 -3.734 -1.423) 3.996 7.640 ( 2.733 -2.913 -0.927) 4.101 7.862 ( -14.930 8.284 -8.356) 19.009 8.213 ( 5.577 -3.536 4.735) 8.126 8.468 ( -2.900 -6.089 -2.181) 7.088 8.940 ( 3.348 7.324 10.478) 13.215 9.164 ( -9.767 10.040 1.321) 14.069 10.260 ( 0.667 -3.556 0.356) 3.635 10.348 ( 1.211 -3.564 0.179) 3.769 11.775 ( -2.549 0.532 13.632) 13.879 12.430 ( -0.341 -1.381 1.231) 1.882 13.034 ( 0.138 -3.572 13.429) 13.896 13.801 ( 0.156 4.679 -12.387) 13.242 14.711 ( 0.084 -2.803 -2.554) 3.793 14.769 ( 2.081 1.053 -4.623) 5.178 ======================= Grid point 343 (174/251) ======================= q-point: (-0.20 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.480 ( -0.933 8.334 -0.560) 8.405 1.688 ( -6.422 5.329 2.340) 8.667 1.795 ( 7.642 -0.540 -7.254) 10.550 1.969 ( 1.234 -1.560 0.200) 2.000 2.103 ( 7.522 -1.455 -5.524) 9.445 2.209 ( -1.437 -6.132 -8.443) 10.534 2.623 ( -11.009 -4.787 5.061) 13.028 2.965 ( 4.266 1.888 2.146) 5.135 3.109 ( 1.610 -2.233 0.430) 2.786 3.282 ( 0.825 -0.167 -2.219) 2.374 3.393 ( -1.187 -2.773 7.584) 8.162 3.728 ( -0.520 -0.073 4.834) 4.863 4.034 ( -6.058 -3.486 4.109) 8.108 4.100 ( -0.039 -6.103 -3.805) 7.192 4.280 ( -2.311 0.446 -6.380) 6.800 4.345 ( 3.887 0.244 -2.916) 4.865 4.821 ( 3.197 8.109 7.396) 11.431 4.863 ( -1.666 -3.411 0.762) 3.872 5.218 ( 6.546 0.198 -6.998) 9.585 5.265 ( 1.799 -8.048 -7.192) 10.943 5.748 ( -2.061 7.591 0.493) 7.882 6.062 ( -0.102 3.703 8.394) 9.175 6.167 ( -0.010 11.100 -14.929) 18.604 6.402 ( 3.217 -0.080 -5.270) 6.175 6.909 ( -4.262 9.205 -4.513) 11.102 7.030 ( 10.181 -5.538 -1.330) 11.666 7.398 ( 1.223 1.489 -0.898) 2.126 7.517 ( -11.957 1.009 -1.550) 12.099 7.704 ( -2.966 -5.416 -4.251) 7.496 7.748 ( 6.983 1.120 -2.565) 7.523 8.244 ( -3.196 2.057 7.371) 8.293 8.504 ( 4.707 2.925 0.440) 5.559 8.919 ( 0.202 -1.119 8.729) 8.802 9.029 ( -3.816 -2.553 2.939) 5.451 10.288 ( -0.124 0.374 -0.140) 0.418 10.381 ( 0.403 0.861 0.073) 0.953 11.773 ( -2.901 -0.061 15.413) 15.684 12.429 ( -1.514 0.757 1.199) 2.074 13.175 ( -0.309 -8.347 12.082) 14.688 13.722 ( 1.503 1.521 -12.914) 13.090 14.714 ( 1.362 2.263 -3.377) 4.287 14.783 ( -0.006 -2.710 -5.165) 5.833 ======================= Grid point 344 (175/251) ======================= q-point: (-0.10 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( -0.736 8.618 -0.432) 8.660 1.529 ( -3.461 6.859 1.995) 7.938 1.891 ( 6.990 -3.596 -5.729) 9.727 2.016 ( 3.245 -1.658 -2.982) 4.709 2.186 ( 3.279 -2.617 -0.145) 4.198 2.336 ( -2.854 -10.337 -6.619) 12.602 2.640 ( -10.722 -5.890 2.552) 12.496 2.976 ( 4.194 0.996 10.513) 11.362 3.196 ( 2.544 -4.174 2.934) 5.701 3.287 ( 0.749 -0.809 -4.183) 4.326 3.505 ( 1.629 -7.643 3.567) 8.590 3.728 ( 0.149 -0.243 0.984) 1.024 4.035 ( -9.359 -1.923 1.053) 9.613 4.150 ( 2.618 -0.355 -3.164) 4.122 4.272 ( -2.342 -0.131 -2.220) 3.229 4.400 ( 4.283 -3.261 1.801) 5.677 4.709 ( 1.707 7.961 6.222) 10.247 4.905 ( -5.156 -6.742 -0.994) 8.546 5.223 ( 2.359 3.697 -10.345) 11.236 5.441 ( -0.493 -6.967 -13.833) 15.496 5.639 ( -1.693 0.095 3.631) 4.007 5.876 ( 0.851 8.682 2.275) 9.015 6.171 ( 1.933 -5.814 0.593) 6.155 6.395 ( 3.336 2.862 -5.535) 7.068 6.764 ( 2.189 4.561 -1.875) 5.395 7.144 ( 3.524 0.017 -8.700) 9.387 7.329 ( -6.718 2.847 1.442) 7.437 7.478 ( 0.814 -2.896 1.211) 3.243 7.687 ( 1.294 2.791 -1.758) 3.543 7.810 ( 0.094 -2.022 -6.117) 6.443 8.227 ( -1.166 -2.965 5.788) 6.607 8.451 ( 4.363 6.340 3.159) 8.320 8.943 ( 0.995 0.779 7.125) 7.236 9.193 ( 2.821 -12.208 -0.347) 12.534 10.261 ( -0.518 1.766 0.017) 1.841 10.330 ( -1.466 4.096 0.979) 4.459 11.790 ( -2.516 -1.082 13.568) 13.842 12.393 ( -1.814 1.938 1.880) 3.253 13.305 ( -7.022 -6.306 8.576) 12.752 13.754 ( 5.187 -4.494 -7.754) 10.355 14.674 ( 0.731 2.123 -2.504) 3.364 14.823 ( -0.624 -3.082 -7.023) 7.695 ======================= Grid point 349 (176/251) ======================= q-point: ( 0.40 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( 11.944 0.000 -1.839) 12.085 1.622 ( -12.431 -0.000 6.637) 14.091 1.950 ( -16.178 -0.000 5.875) 17.212 1.974 ( 3.369 0.000 -7.217) 7.965 2.275 ( 3.136 0.000 -3.344) 4.585 2.417 ( -4.652 -0.000 13.789) 14.553 2.693 ( -12.730 -0.000 -1.445) 12.812 2.905 ( 6.031 0.000 1.236) 6.156 3.313 ( -11.464 -0.000 7.933) 13.942 3.410 ( 0.698 0.000 7.072) 7.107 3.563 ( -1.846 -0.000 10.120) 10.287 3.807 ( -12.820 -0.000 3.548) 13.302 3.886 ( -1.778 -0.000 -6.250) 6.498 4.247 ( 7.244 0.000 -13.478) 15.302 4.355 ( 2.274 0.000 -11.578) 11.799 4.441 ( 0.591 0.000 -10.065) 10.082 4.567 ( -3.735 -0.000 -15.584) 16.026 4.654 ( 7.500 0.000 -20.756) 22.069 5.306 ( 7.778 0.000 15.204) 17.078 5.362 ( 10.490 0.000 6.944) 12.580 6.055 ( -0.310 -0.000 6.286) 6.294 6.159 ( -4.619 -0.000 8.837) 9.971 6.470 ( -10.522 -0.000 18.764) 21.513 6.716 ( 5.140 0.000 3.101) 6.003 6.904 ( 6.027 0.000 7.963) 9.987 7.238 ( 10.969 0.000 1.311) 11.047 7.445 ( -6.264 -0.000 5.620) 8.415 7.538 ( 5.691 0.000 6.840) 8.898 7.915 ( 1.610 0.000 -16.229) 16.309 8.375 ( -5.735 -0.000 8.364) 10.141 8.435 ( -3.517 -0.000 -1.961) 4.027 8.538 ( 2.930 0.000 -11.026) 11.409 8.761 ( 2.513 0.000 -10.155) 10.461 9.090 ( 5.532 0.000 -10.693) 12.039 10.252 ( 6.465 0.000 2.202) 6.830 10.485 ( -0.863 -0.000 2.846) 2.974 11.879 ( -4.850 -0.000 9.966) 11.083 12.062 ( 1.737 0.000 -0.391) 1.780 13.249 ( -8.662 -0.000 23.082) 24.653 14.056 ( -0.581 -0.000 -3.859) 3.903 14.563 ( -1.486 -0.000 -1.422) 2.057 14.730 ( -1.263 -0.000 -13.365) 13.425 ======================= Grid point 350 (177/251) ======================= q-point: (-0.50 -0.60 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( -11.957 0.065 5.691) 13.243 1.660 ( 9.553 -0.394 -1.665) 9.705 1.851 ( -15.348 -2.439 4.738) 16.246 2.047 ( 2.676 -5.527 -5.202) 8.048 2.225 ( 0.897 6.995 -0.347) 7.061 2.374 ( -1.841 3.144 12.167) 12.701 2.567 ( -7.703 4.196 -2.146) 9.030 2.962 ( 2.383 -1.918 1.080) 3.244 3.223 ( -7.339 2.464 6.478) 10.095 3.428 ( -2.365 -0.301 6.936) 7.334 3.592 ( 0.990 -1.274 8.132) 8.290 3.721 ( -10.920 -0.476 5.780) 12.364 3.875 ( -2.543 -0.534 -4.028) 4.794 4.140 ( -0.339 9.129 -14.685) 17.295 4.387 ( -0.891 -3.449 -8.593) 9.302 4.421 ( 2.667 -0.216 -8.146) 8.575 4.549 ( 3.452 -0.897 -13.067) 13.545 4.754 ( 7.158 -7.126 -20.498) 22.851 5.329 ( 4.416 3.741 11.736) 13.085 5.545 ( 10.372 -5.975 5.236) 13.065 5.984 ( -3.756 9.732 8.503) 13.459 6.080 ( -1.136 1.917 6.502) 6.873 6.483 ( -5.650 -3.760 14.503) 16.012 6.727 ( -1.812 3.769 11.429) 12.170 6.918 ( 9.521 2.714 1.280) 9.983 7.339 ( -5.306 2.185 2.714) 6.348 7.419 ( 1.327 -5.263 1.960) 5.771 7.558 ( 10.742 5.482 7.157) 14.023 7.844 ( 0.525 5.817 -16.510) 17.513 8.118 ( 0.896 13.789 2.288) 14.007 8.313 ( -6.878 4.658 -4.167) 9.293 8.658 ( -2.793 3.847 -10.020) 11.090 8.853 ( 4.027 -13.583 -0.201) 14.169 9.243 ( 2.856 -12.485 -10.409) 16.504 10.237 ( 5.875 6.854 1.655) 9.178 10.403 ( -4.025 7.213 2.349) 8.587 11.830 ( -3.388 2.426 9.353) 10.239 12.155 ( 2.767 -6.800 0.047) 7.342 13.203 ( -4.752 3.893 23.369) 24.162 14.030 ( -0.939 1.554 -5.142) 5.453 14.563 ( -0.657 -1.373 -1.721) 2.297 14.720 ( -0.303 -2.067 -11.393) 11.583 ======================= Grid point 351 (178/251) ======================= q-point: (-0.40 -0.60 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( -8.650 -2.325 3.602) 9.654 1.712 ( 3.124 0.193 2.827) 4.217 1.829 ( -10.659 -4.913 1.150) 11.794 2.081 ( 1.034 5.379 0.895) 5.550 2.166 ( 0.998 -3.088 -5.837) 6.679 2.318 ( 2.632 6.858 11.207) 13.400 2.453 ( -4.870 0.998 -0.999) 5.071 3.005 ( 0.752 -1.257 -0.314) 1.498 3.145 ( -2.870 2.483 2.034) 4.306 3.410 ( -5.007 0.096 7.063) 8.659 3.629 ( -3.569 4.174 0.378) 5.504 3.645 ( 1.396 2.188 5.130) 5.749 3.807 ( -7.363 -0.010 0.952) 7.425 4.028 ( -0.099 0.763 -5.916) 5.965 4.370 ( -2.598 0.658 -8.078) 8.511 4.501 ( 4.597 -4.646 -2.246) 6.911 4.572 ( 2.926 -0.732 -9.831) 10.283 4.896 ( 6.798 -5.498 -15.910) 18.154 5.281 ( 0.591 5.927 9.078) 10.858 5.608 ( 1.758 7.244 1.935) 7.701 5.898 ( 7.956 0.544 7.917) 11.237 6.090 ( 1.614 -2.353 2.434) 3.750 6.455 ( 0.063 9.497 11.242) 14.716 6.691 ( -2.608 -2.806 8.170) 9.024 6.941 ( 1.654 0.911 0.347) 1.920 7.197 ( -7.482 6.875 -0.817) 10.194 7.430 ( -0.253 3.081 0.793) 3.192 7.606 ( 8.859 1.787 -0.994) 9.092 7.716 ( 5.908 6.145 -5.949) 10.395 8.009 ( 1.700 0.783 2.937) 3.483 8.211 ( -6.136 1.456 -8.586) 10.653 8.424 ( -8.876 11.539 -9.898) 17.604 9.093 ( 3.720 -6.884 4.412) 8.983 9.404 ( -3.081 -3.778 -6.116) 7.821 10.167 ( 4.367 4.074 1.559) 6.172 10.250 ( -3.733 3.476 0.608) 5.137 11.794 ( -1.884 1.182 9.398) 9.658 12.299 ( 2.527 -6.208 -0.135) 6.704 13.130 ( -0.425 6.134 20.958) 21.842 13.965 ( -1.026 3.566 -7.467) 8.338 14.595 ( -0.205 -2.873 -2.109) 3.570 14.750 ( 1.017 -2.578 -7.382) 7.885 ======================= Grid point 352 (179/251) ======================= q-point: (-0.30 -0.60 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.494 ( -3.754 -5.223 1.129) 6.530 1.745 ( 1.680 -1.469 3.239) 3.933 1.796 ( -8.166 0.384 2.004) 8.417 2.044 ( 2.741 2.285 1.750) 3.975 2.158 ( 2.524 3.166 -2.222) 4.618 2.225 ( 0.867 5.155 -4.034) 6.603 2.460 ( -6.138 -3.849 4.922) 8.759 3.005 ( 2.004 1.796 -4.067) 4.877 3.109 ( 0.123 0.399 -1.298) 1.364 3.366 ( -4.408 2.787 1.121) 5.334 3.440 ( -0.667 7.117 1.902) 7.397 3.701 ( 0.995 -2.757 8.406) 8.902 3.811 ( -6.238 -4.181 4.240) 8.624 4.021 ( 1.114 0.309 -0.685) 1.344 4.314 ( -2.770 1.481 -6.818) 7.507 4.511 ( 3.086 5.791 -5.990) 8.885 4.672 ( 2.008 -8.306 1.608) 8.695 4.997 ( 3.576 -4.459 -7.798) 9.669 5.174 ( 2.962 9.004 5.397) 10.908 5.473 ( 5.642 9.295 -1.594) 10.989 5.933 ( -1.031 1.734 3.137) 3.729 6.217 ( 8.273 -1.784 6.282) 10.540 6.271 ( 1.174 7.074 0.836) 7.219 6.713 ( 2.776 6.230 -5.917) 9.029 6.931 ( -2.276 -0.744 2.096) 3.182 7.036 ( -3.161 2.193 -1.120) 4.007 7.399 ( -6.345 -3.137 -3.061) 7.711 7.573 ( 5.612 8.194 -3.718) 10.604 7.694 ( 5.356 3.264 1.447) 6.437 7.913 ( -9.549 12.294 -11.508) 19.358 8.129 ( -0.649 -7.958 2.227) 8.289 8.325 ( -4.233 -4.610 -3.605) 7.222 9.139 ( 3.739 5.872 8.765) 11.193 9.265 ( -10.408 9.833 -1.084) 14.359 10.193 ( 1.827 -3.635 0.744) 4.135 10.275 ( 1.100 -4.949 -0.449) 5.090 11.789 ( -1.441 0.261 10.612) 10.713 12.396 ( 1.142 -3.027 0.727) 3.316 13.078 ( 2.897 3.936 16.511) 17.219 13.865 ( -0.954 4.927 -10.118) 11.294 14.646 ( -0.160 -3.389 -3.214) 4.673 14.786 ( 2.034 -0.840 -4.051) 4.610 ======================= Grid point 353 (180/251) ======================= q-point: (-0.20 -0.60 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.571 ( -0.263 -1.732 2.276) 2.872 1.708 ( -2.266 2.946 0.883) 3.820 1.805 ( 0.090 -2.543 -4.269) 4.970 1.995 ( 2.036 4.717 5.316) 7.393 2.130 ( -1.372 0.823 -6.948) 7.130 2.166 ( 6.665 1.579 -8.508) 10.923 2.457 ( -11.149 -3.110 4.561) 12.441 3.003 ( 3.639 -0.642 -2.902) 4.699 3.109 ( 1.496 0.243 -1.958) 2.476 3.294 ( -0.419 1.492 -2.432) 2.884 3.385 ( -1.400 1.300 11.318) 11.478 3.755 ( 2.711 0.605 7.076) 7.602 3.878 ( -5.574 -7.823 2.156) 9.844 4.032 ( 0.623 -1.116 -0.287) 1.310 4.263 ( -1.575 0.815 -5.990) 6.247 4.417 ( 2.896 4.790 -3.703) 6.711 4.815 ( 2.088 -4.356 2.698) 5.533 5.020 ( 1.829 7.735 6.876) 10.510 5.123 ( 3.239 -4.926 -5.993) 8.407 5.355 ( 6.256 8.688 -4.648) 11.672 5.847 ( -5.130 5.219 1.594) 7.490 6.107 ( 0.531 4.775 1.607) 5.066 6.396 ( 8.562 2.132 -7.042) 11.289 6.466 ( 2.858 13.361 -9.590) 16.693 6.924 ( -7.066 -0.346 -1.610) 7.255 7.079 ( 8.111 -0.713 -1.258) 8.239 7.372 ( -15.033 1.024 -3.771) 15.533 7.409 ( -6.172 -0.976 -6.035) 8.687 7.641 ( 3.198 1.417 -2.121) 4.091 7.831 ( 7.882 0.932 3.140) 8.535 8.232 ( -5.124 -0.843 1.853) 5.513 8.428 ( -1.014 -11.775 -1.549) 11.920 8.992 ( -6.308 8.118 6.438) 12.131 9.065 ( 1.213 7.495 6.669) 10.106 10.271 ( 0.584 -2.687 0.543) 2.803 10.363 ( 0.855 -3.289 -0.638) 3.457 11.788 ( -2.243 0.773 13.686) 13.890 12.431 ( 0.046 -0.296 1.293) 1.327 13.112 ( 3.045 -1.853 13.344) 13.812 13.755 ( 0.037 4.007 -12.654) 13.273 14.695 ( -0.272 -2.973 -4.551) 5.443 14.788 ( 2.117 1.643 -2.898) 3.947 ======================= Grid point 354 (181/251) ======================= q-point: (-0.10 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( 0.124 10.515 -1.860) 10.679 1.616 ( -3.047 5.857 1.513) 6.773 1.892 ( 7.747 -4.937 -9.505) 13.219 1.972 ( -1.268 -1.032 3.163) 3.561 2.131 ( -3.074 -3.565 -5.739) 7.422 2.217 ( 7.055 -2.573 -9.198) 11.875 2.459 ( -9.423 -5.515 5.189) 12.089 3.037 ( 2.246 0.803 5.299) 5.812 3.144 ( 2.827 -3.712 -2.197) 5.157 3.273 ( -1.700 0.439 -0.455) 1.814 3.419 ( 0.157 -3.749 9.015) 9.765 3.759 ( 2.707 1.926 3.489) 4.818 3.936 ( -6.465 -2.719 1.271) 7.127 4.094 ( 0.361 -5.368 -1.192) 5.510 4.248 ( 1.054 -0.352 -5.801) 5.906 4.396 ( 2.600 -0.230 0.350) 2.633 4.839 ( -0.752 1.449 -1.596) 2.283 4.900 ( 2.350 9.384 8.186) 12.672 5.227 ( -1.473 -4.751 -9.524) 10.745 5.304 ( 6.116 -1.051 -7.353) 9.621 5.702 ( -4.982 6.018 2.697) 8.265 6.092 ( 1.101 13.056 0.657) 13.118 6.116 ( 2.558 0.068 -11.167) 11.456 6.475 ( 4.527 3.395 -3.774) 6.801 6.839 ( -0.497 2.276 -2.889) 3.711 7.124 ( -1.174 -1.602 -0.719) 2.112 7.313 ( -7.488 0.441 -5.427) 9.258 7.403 ( -0.879 -4.915 -0.476) 5.016 7.678 ( 2.287 -1.421 -2.775) 3.867 7.864 ( 6.393 3.562 -1.028) 7.390 8.168 ( -6.680 -1.674 4.057) 7.993 8.589 ( 3.557 0.582 0.916) 3.719 8.912 ( -4.582 -3.280 7.519) 9.396 9.038 ( 2.817 -3.672 5.387) 7.102 10.286 ( -0.065 0.978 0.077) 0.983 10.383 ( -0.075 1.512 -0.323) 1.548 11.785 ( -3.010 0.068 15.534) 15.823 12.419 ( -0.451 1.564 2.135) 2.684 13.195 ( -2.887 -3.279 10.809) 11.659 13.714 ( 3.581 -1.402 -12.365) 12.950 14.718 ( 0.438 0.608 -2.865) 2.962 14.766 ( 0.755 -0.034 -5.619) 5.669 ======================= Grid point 360 (182/251) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( -15.230 -0.000 5.568) 16.216 1.706 ( -11.337 -0.000 0.987) 11.380 1.746 ( 4.737 0.000 4.268) 6.376 2.016 ( 4.427 0.000 -3.499) 5.643 2.333 ( 4.755 0.000 0.700) 4.806 2.338 ( -11.649 -0.000 8.525) 14.435 2.574 ( -1.529 -0.000 1.029) 1.843 2.963 ( 1.404 0.000 1.422) 1.998 3.180 ( -10.618 -0.000 10.844) 15.177 3.450 ( 1.231 0.000 6.584) 6.698 3.606 ( -3.531 -0.000 6.843) 7.700 3.639 ( -3.386 -0.000 6.478) 7.309 3.836 ( -2.040 -0.000 -3.625) 4.159 4.196 ( -5.943 -0.000 -15.788) 16.869 4.334 ( 0.630 0.000 -10.918) 10.936 4.433 ( 5.534 0.000 -10.247) 11.645 4.559 ( 5.617 0.000 -11.146) 12.482 4.661 ( 3.073 0.000 -20.734) 20.961 5.479 ( 8.259 0.000 9.502) 12.589 5.533 ( 8.098 0.000 4.216) 9.130 6.067 ( -0.612 -0.000 4.993) 5.030 6.111 ( -4.131 -0.000 6.543) 7.738 6.364 ( -11.761 -0.000 20.715) 23.821 6.783 ( 1.672 0.000 7.824) 8.000 7.046 ( 7.780 0.000 3.303) 8.452 7.273 ( -14.908 -0.000 4.587) 15.598 7.417 ( 10.309 0.000 2.197) 10.540 7.722 ( 10.820 0.000 11.336) 15.671 7.851 ( -1.958 -0.000 -16.825) 16.939 8.291 ( -10.688 -0.000 -3.707) 11.312 8.316 ( -5.856 -0.000 7.780) 9.738 8.600 ( 7.077 0.000 -10.465) 12.634 8.753 ( 1.142 0.000 -10.045) 10.109 9.117 ( 2.958 0.000 -9.967) 10.397 10.354 ( 5.251 0.000 1.755) 5.537 10.456 ( -4.008 -0.000 2.127) 4.537 11.843 ( -4.089 -0.000 8.982) 9.869 12.117 ( 5.085 0.000 0.636) 5.125 13.258 ( -0.877 -0.000 24.655) 24.671 14.025 ( -1.581 -0.000 -4.191) 4.480 14.545 ( 0.237 0.000 -2.877) 2.886 14.672 ( -0.611 -0.000 -11.802) 11.818 ======================= Grid point 361 (183/251) ======================= q-point: (-0.40 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.341 ( -12.958 -3.008 4.636) 14.087 1.626 ( -15.660 -3.350 7.070) 17.505 1.795 ( 6.881 1.145 0.366) 6.985 2.088 ( 4.536 -3.770 -2.678) 6.478 2.200 ( -6.134 5.490 2.779) 8.689 2.372 ( 0.131 -0.006 6.313) 6.315 2.531 ( 1.555 5.481 2.732) 6.318 2.986 ( 0.784 -1.211 1.725) 2.249 3.127 ( -8.923 -0.858 9.531) 13.084 3.421 ( -2.010 3.065 6.375) 7.354 3.583 ( -6.477 -1.916 7.735) 10.269 3.696 ( 6.221 -0.735 5.200) 8.142 3.830 ( -1.163 0.841 -2.819) 3.163 4.037 ( -4.567 5.836 -13.711) 15.586 4.345 ( -0.055 -1.503 -9.122) 9.246 4.443 ( 3.902 -1.301 -9.470) 10.325 4.580 ( 4.636 -0.538 -10.525) 11.513 4.778 ( 5.009 -10.066 -18.711) 21.830 5.423 ( 2.089 8.516 9.282) 12.768 5.665 ( 2.793 -1.975 0.895) 3.536 6.002 ( 2.721 4.295 7.912) 9.405 6.098 ( 1.556 0.265 4.616) 4.878 6.419 ( -9.452 -9.047 14.975) 19.886 6.755 ( 0.103 6.558 11.428) 13.177 7.032 ( 2.555 5.439 0.645) 6.044 7.167 ( -11.298 0.403 2.279) 11.532 7.512 ( 5.822 0.220 0.001) 5.826 7.728 ( 3.760 5.474 1.043) 6.722 7.810 ( 4.147 2.670 -5.207) 7.172 8.106 ( -4.683 8.337 1.486) 9.677 8.198 ( -4.798 4.030 -1.435) 6.428 8.566 ( -3.176 10.429 -12.506) 16.591 8.896 ( 1.855 -14.886 -1.771) 15.105 9.240 ( 1.542 -10.517 -9.279) 14.110 10.305 ( -2.220 8.068 0.613) 8.391 10.356 ( 1.353 7.006 2.772) 7.655 11.816 ( -2.669 1.159 8.277) 8.774 12.218 ( 4.872 -5.419 0.437) 7.300 13.278 ( 3.764 4.061 23.374) 24.021 13.988 ( -2.144 1.675 -4.811) 5.527 14.553 ( 0.797 -1.161 -4.072) 4.309 14.682 ( -0.018 -3.482 -8.439) 9.130 ======================= Grid point 362 (184/251) ======================= q-point: (-0.30 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( -8.705 -6.043 2.050) 10.794 1.617 ( -12.448 -6.420 7.774) 16.019 1.811 ( 2.673 1.542 3.273) 4.498 2.094 ( -2.081 2.656 0.182) 3.379 2.167 ( 3.054 -1.366 -4.631) 5.713 2.382 ( 0.411 1.312 9.667) 9.764 2.423 ( 2.026 7.291 2.139) 7.864 3.016 ( 0.708 -0.808 0.551) 1.207 3.104 ( -3.713 -0.761 2.564) 4.577 3.376 ( -2.468 1.627 6.286) 6.946 3.582 ( -2.617 1.196 4.680) 5.494 3.643 ( -3.955 7.040 -0.307) 8.081 3.795 ( 5.369 -0.257 3.663) 6.504 4.006 ( 0.383 -2.666 -4.625) 5.352 4.327 ( 0.746 1.718 -8.219) 8.430 4.539 ( 1.290 -7.239 -3.944) 8.344 4.591 ( 3.535 1.394 -7.329) 8.256 4.943 ( 6.132 -5.642 -14.257) 16.514 5.296 ( -2.419 5.342 7.653) 9.642 5.635 ( 1.170 4.957 -0.229) 5.098 5.965 ( -1.479 3.989 2.868) 5.131 6.200 ( 9.092 -5.506 3.187) 11.097 6.494 ( -0.896 4.784 8.526) 9.818 6.651 ( -5.263 -1.896 10.835) 12.194 6.930 ( -3.653 4.932 -3.137) 6.892 7.107 ( -1.751 0.832 1.191) 2.275 7.413 ( -0.222 9.762 -5.273) 11.098 7.701 ( 1.149 2.783 1.578) 3.400 7.784 ( 2.508 3.537 -1.233) 4.508 7.992 ( -7.569 -1.309 -0.257) 7.686 8.109 ( 1.234 9.328 -7.063) 11.765 8.274 ( -5.062 7.804 -7.319) 11.836 9.135 ( -0.477 -9.177 3.620) 9.876 9.318 ( -4.621 2.241 -5.164) 7.283 10.169 ( -2.430 0.720 -1.606) 3.000 10.280 ( 4.789 4.483 3.635) 7.500 11.800 ( -1.678 0.388 8.419) 8.594 12.345 ( 3.129 -4.598 0.397) 5.576 13.256 ( 7.059 7.293 19.033) 21.570 13.914 ( -2.344 3.581 -6.742) 7.986 14.585 ( 0.525 -2.639 -4.942) 5.627 14.749 ( 1.443 -3.973 -3.936) 5.776 ======================= Grid point 363 (185/251) ======================= q-point: (-0.20 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( -4.924 -9.168 -0.035) 10.407 1.667 ( -7.983 -5.628 5.428) 11.175 1.810 ( 3.504 1.533 2.658) 4.657 2.052 ( -3.852 0.492 0.684) 3.943 2.157 ( 1.459 3.207 -4.939) 6.067 2.287 ( 5.088 8.004 2.175) 9.731 2.404 ( -1.007 0.959 3.848) 4.092 3.010 ( -0.641 0.692 -2.155) 2.353 3.107 ( 0.561 -0.870 -3.271) 3.431 3.319 ( -2.253 3.031 2.505) 4.532 3.460 ( 1.130 5.480 4.705) 7.311 3.683 ( -4.063 -7.803 8.813) 12.452 3.844 ( 6.129 1.224 4.787) 7.873 4.035 ( 0.995 -0.270 -1.040) 1.465 4.279 ( 1.184 2.551 -6.511) 7.093 4.515 ( -0.013 4.951 -4.939) 6.993 4.717 ( 3.016 -8.808 1.015) 9.365 5.013 ( 1.558 -1.712 -5.141) 5.638 5.235 ( 3.389 4.708 1.582) 6.013 5.542 ( 3.543 7.032 -2.600) 8.292 5.857 ( -7.492 3.491 -0.045) 8.265 6.297 ( 1.659 13.074 2.611) 13.435 6.383 ( 5.493 -6.117 2.016) 8.465 6.745 ( 4.878 8.456 -4.159) 10.611 6.783 ( -9.494 -4.672 -4.537) 11.513 7.123 ( 7.213 -0.092 4.636) 8.575 7.270 ( -5.792 1.250 -5.307) 7.954 7.454 ( -15.136 17.117 -11.608) 25.629 7.702 ( 0.753 0.881 -1.427) 1.838 7.954 ( 8.655 6.162 4.132) 11.400 8.110 ( -2.789 -12.356 3.495) 13.140 8.228 ( -5.710 -1.952 -5.929) 8.460 9.090 ( -8.907 9.933 1.883) 13.473 9.220 ( 0.794 3.199 5.752) 6.629 10.217 ( 1.184 -4.096 -0.543) 4.298 10.303 ( 2.211 -2.854 1.121) 3.780 11.802 ( -1.870 0.015 10.050) 10.223 12.420 ( 1.345 -1.851 1.396) 2.680 13.218 ( 7.358 6.159 14.641) 17.505 13.808 ( -1.527 4.555 -9.686) 10.812 14.631 ( 0.293 -3.075 -5.352) 6.180 14.808 ( 2.240 -1.248 -1.948) 3.220 ======================= Grid point 364 (186/251) ======================= q-point: (-0.10 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( -3.035 -4.847 2.408) 6.205 1.674 ( -2.404 1.290 2.548) 3.734 1.805 ( 3.132 0.312 -10.233) 10.706 2.007 ( -4.150 1.131 3.186) 5.353 2.099 ( -0.316 1.722 -2.610) 3.143 2.228 ( 4.464 3.056 -5.345) 7.604 2.380 ( 1.585 0.178 3.009) 3.406 3.022 ( -0.810 -3.130 0.074) 3.234 3.121 ( 1.231 -0.610 -4.730) 4.925 3.275 ( -2.004 1.283 3.752) 4.444 3.420 ( 0.754 1.566 8.471) 8.648 3.801 ( -2.335 -3.986 7.895) 9.148 3.871 ( 5.891 0.827 1.911) 6.248 4.041 ( 0.422 -0.755 0.332) 0.926 4.252 ( 2.537 0.512 -5.375) 5.966 4.431 ( 0.049 2.953 -1.966) 3.548 4.859 ( 2.177 -2.567 1.374) 3.636 5.031 ( -0.800 -0.000 0.818) 1.144 5.163 ( 2.988 4.455 -2.702) 6.006 5.428 ( 4.910 8.356 -4.028) 10.495 5.745 ( -7.153 3.723 -0.688) 8.093 6.126 ( 1.848 4.953 -10.335) 11.609 6.364 ( -5.637 12.648 -4.619) 14.597 6.579 ( 8.188 4.107 -3.956) 9.977 6.801 ( -5.442 -0.153 -3.948) 6.725 7.113 ( -5.830 4.008 0.324) 7.082 7.230 ( 0.035 -3.032 -4.066) 5.072 7.283 ( -2.286 -6.213 -2.932) 7.241 7.719 ( 5.158 0.271 -1.680) 5.432 7.963 ( 5.980 1.330 7.576) 9.743 8.109 ( -8.334 3.614 -4.419) 10.101 8.402 ( -2.799 -17.610 1.499) 17.894 8.908 ( -4.846 4.215 4.194) 7.671 9.134 ( 1.671 7.575 8.873) 11.786 10.281 ( 0.428 -1.851 0.315) 1.926 10.369 ( 0.201 -2.522 -0.541) 2.587 11.797 ( -2.991 0.728 13.347) 13.697 12.443 ( 0.672 0.360 1.959) 2.102 13.207 ( 2.500 2.980 12.665) 13.249 13.720 ( 1.644 2.118 -12.647) 12.928 14.674 ( 0.171 -2.736 -5.978) 6.576 14.813 ( 2.129 2.133 -1.871) 3.547 ======================= Grid point 371 (187/251) ======================= q-point: (-0.40 -0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( -13.619 -0.000 5.819) 14.810 1.484 ( -15.604 -0.000 7.153) 17.165 1.859 ( 4.549 0.000 1.834) 4.905 2.093 ( 6.661 0.000 -2.899) 7.265 2.175 ( -10.546 -0.000 6.659) 12.473 2.426 ( 5.643 0.000 5.796) 8.089 2.598 ( 2.212 0.000 3.267) 3.945 2.987 ( 1.478 0.000 1.982) 2.473 3.046 ( -12.559 -0.000 15.761) 20.153 3.495 ( 1.490 0.000 6.574) 6.741 3.511 ( -4.862 -0.000 9.231) 10.433 3.754 ( 8.875 0.000 1.758) 9.047 3.807 ( 0.153 0.000 -2.960) 2.964 4.046 ( -5.501 -0.000 -12.643) 13.788 4.304 ( 0.509 0.000 -9.851) 9.864 4.482 ( 4.577 0.000 -10.935) 11.854 4.603 ( -0.938 -0.000 -19.663) 19.685 4.620 ( 6.862 0.000 -9.499) 11.718 5.604 ( 3.797 0.000 1.929) 4.259 5.620 ( 1.254 0.000 1.866) 2.248 6.087 ( 1.341 0.000 7.025) 7.152 6.102 ( 0.477 0.000 5.006) 5.028 6.268 ( -9.449 -0.000 19.033) 21.249 6.835 ( 1.009 0.000 8.812) 8.870 7.015 ( -16.270 -0.000 6.691) 17.592 7.173 ( 3.937 0.000 -1.182) 4.111 7.545 ( 3.854 0.000 2.943) 4.850 7.737 ( -4.834 -0.000 -16.320) 17.020 7.931 ( 10.025 0.000 11.253) 15.071 8.120 ( -7.811 -0.000 -5.649) 9.640 8.237 ( -8.471 -0.000 9.588) 12.794 8.653 ( 4.077 0.000 -9.922) 10.727 8.730 ( 0.689 0.000 -9.802) 9.826 9.119 ( 2.220 0.000 -9.550) 9.804 10.391 ( -4.433 -0.000 1.093) 4.566 10.415 ( 1.311 0.000 1.930) 2.333 11.817 ( -3.019 -0.000 7.169) 7.779 12.212 ( 6.137 0.000 0.801) 6.189 13.408 ( 8.855 0.000 23.634) 25.238 13.975 ( -3.033 -0.000 -3.335) 4.509 14.554 ( 2.689 0.000 -4.052) 4.863 14.620 ( -1.301 -0.000 -8.991) 9.085 ======================= Grid point 372 (188/251) ======================= q-point: (-0.30 -0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( -11.112 -4.891 5.129) 13.179 1.421 ( -14.118 -4.807 8.392) 17.113 1.869 ( 1.298 1.680 4.668) 5.129 2.081 ( -7.304 0.809 -1.671) 7.536 2.184 ( 7.097 -0.987 3.924) 8.169 2.441 ( 4.714 3.120 6.934) 8.946 2.586 ( 3.213 5.074 4.812) 7.696 3.012 ( -10.029 -2.996 13.185) 16.834 3.019 ( 2.632 -1.393 1.537) 3.351 3.422 ( -0.384 4.012 8.117) 9.063 3.557 ( -1.192 -0.406 8.074) 8.172 3.803 ( 3.082 5.199 -1.000) 6.126 3.830 ( 2.755 0.290 -1.351) 3.082 3.960 ( 2.787 -1.166 -8.793) 9.297 4.316 ( 0.346 -2.098 -8.824) 9.076 4.457 ( 2.122 -0.576 -10.448) 10.677 4.592 ( 1.334 -1.700 -10.505) 10.725 4.788 ( 4.729 -11.532 -15.527) 19.911 5.450 ( -2.188 11.871 7.074) 13.991 5.656 ( -3.211 -0.516 -2.317) 3.993 6.064 ( 1.302 5.359 4.314) 7.001 6.183 ( 4.828 -3.662 6.025) 8.545 6.323 ( -6.887 -10.078 11.816) 16.989 6.803 ( 0.241 6.615 9.862) 11.877 6.903 ( -13.625 0.158 5.898) 14.848 7.148 ( 3.354 3.736 -2.587) 5.648 7.554 ( -0.200 3.869 -4.720) 6.107 7.660 ( -6.422 -1.664 -5.661) 8.722 7.912 ( 2.812 8.347 5.859) 10.578 8.014 ( -5.295 6.992 -4.343) 9.787 8.154 ( -1.668 0.855 6.491) 6.756 8.494 ( 0.178 14.725 -12.309) 19.193 8.896 ( -1.074 -14.440 -1.971) 14.613 9.230 ( 1.710 -8.322 -9.114) 12.460 10.235 ( -4.246 9.239 0.514) 10.181 10.409 ( 1.687 3.509 2.812) 4.802 11.805 ( -2.236 0.276 6.746) 7.112 12.297 ( 4.640 -3.806 0.356) 6.012 13.486 ( 12.331 5.491 20.035) 24.158 13.928 ( -3.443 1.776 -3.603) 5.290 14.555 ( 1.406 -0.172 -5.922) 6.089 14.664 ( 1.098 -5.317 -4.092) 6.798 ======================= Grid point 373 (189/251) ======================= q-point: (-0.20 -0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( -8.059 -8.235 2.216) 11.733 1.469 ( -10.143 -9.111 8.917) 16.291 1.859 ( 0.979 0.899 5.713) 5.865 2.013 ( -6.598 0.505 -0.801) 6.665 2.236 ( 6.302 2.615 1.509) 6.988 2.451 ( 5.125 1.452 5.344) 7.546 2.488 ( 3.505 8.931 5.643) 11.131 3.005 ( -4.648 -0.090 4.855) 6.721 3.077 ( 1.630 -2.227 -0.672) 2.840 3.376 ( -0.545 3.476 5.138) 6.228 3.573 ( -2.153 -1.447 8.529) 8.915 3.615 ( 1.914 8.669 -0.411) 8.887 3.902 ( 4.958 -2.073 3.732) 6.542 4.034 ( 5.873 -0.830 -4.430) 7.403 4.321 ( 1.733 1.103 -7.710) 7.979 4.518 ( -1.553 -3.924 -4.833) 6.416 4.617 ( 2.614 -3.202 -6.494) 7.698 4.981 ( 4.943 -6.538 -12.932) 15.310 5.278 ( -2.652 3.672 5.732) 7.306 5.615 ( -3.718 1.393 -3.355) 5.198 5.926 ( -4.125 9.310 2.357) 10.452 6.250 ( -6.087 -4.393 5.539) 9.330 6.521 ( 3.139 -7.011 0.343) 7.689 6.644 ( -1.465 9.279 8.907) 12.945 6.844 ( -3.023 -0.543 2.190) 3.772 7.141 ( 3.819 -0.216 -1.526) 4.118 7.394 ( 0.117 9.944 -5.686) 11.455 7.635 ( -9.509 5.922 -2.889) 11.569 7.727 ( -6.454 13.214 -7.922) 16.704 7.866 ( -5.324 -6.120 3.073) 8.675 8.162 ( 2.879 3.158 4.478) 6.190 8.234 ( 3.077 9.350 -7.159) 12.171 9.095 ( -6.384 -7.676 3.615) 10.618 9.255 ( -0.198 4.133 -6.039) 7.321 10.141 ( -0.365 -2.310 -1.117) 2.592 10.356 ( 2.726 4.130 3.923) 6.315 11.800 ( -1.909 -0.152 7.367) 7.612 12.390 ( 2.194 -3.186 0.664) 3.925 13.471 ( 11.698 9.992 14.797) 21.346 13.848 ( -2.886 3.394 -5.622) 7.173 14.578 ( 1.231 -2.239 -5.536) 6.097 14.769 ( 2.555 -4.663 -1.475) 5.518 ======================= Grid point 374 (190/251) ======================= q-point: (-0.10 -0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( -5.862 -11.317 0.224) 12.747 1.589 ( -5.181 -8.437 7.129) 12.200 1.867 ( 3.058 1.666 -1.737) 3.892 1.952 ( -7.767 0.170 0.928) 7.824 2.186 ( 3.415 6.595 0.733) 7.463 2.376 ( 5.067 7.477 4.900) 10.275 2.467 ( 6.690 3.689 0.516) 7.657 2.964 ( -4.410 -0.186 0.455) 4.437 3.107 ( 1.299 -0.674 -3.377) 3.680 3.313 ( -0.389 3.204 3.689) 4.901 3.493 ( 1.104 4.123 4.247) 6.021 3.703 ( 1.692 -6.268 9.599) 11.588 3.968 ( 6.063 0.707 6.719) 9.078 4.052 ( 2.651 1.254 -3.236) 4.367 4.288 ( 2.394 2.199 -5.528) 6.413 4.476 ( -2.894 3.197 -3.759) 5.721 4.763 ( 2.773 -8.772 -1.426) 9.310 5.020 ( 1.432 0.497 -3.414) 3.736 5.282 ( 1.661 1.766 0.066) 2.426 5.551 ( -0.477 2.562 -5.076) 5.706 5.740 ( -6.588 4.406 -0.287) 7.931 6.231 ( -9.800 3.980 -8.648) 13.663 6.419 ( -0.573 7.351 11.178) 13.391 6.615 ( -8.184 1.105 -9.439) 12.541 6.905 ( 14.399 0.873 0.058) 14.425 7.149 ( -11.276 5.623 -11.524) 17.075 7.218 ( -1.413 9.361 -7.580) 12.128 7.267 ( 5.243 3.869 5.065) 8.253 7.666 ( -5.356 -4.222 1.105) 6.909 8.049 ( -4.199 -14.862 -0.066) 15.444 8.100 ( 5.879 5.314 7.512) 10.919 8.148 ( -1.602 3.941 -4.467) 6.169 8.987 ( -5.926 7.837 3.639) 10.477 9.236 ( -0.375 1.070 3.057) 3.260 10.228 ( 0.760 -4.913 -1.465) 5.183 10.340 ( 1.360 0.025 2.649) 2.978 11.802 ( -2.561 -0.071 9.453) 9.794 12.442 ( 0.506 -1.362 1.683) 2.223 13.388 ( 7.176 10.070 12.712) 17.734 13.757 ( -0.236 3.360 -9.387) 9.973 14.621 ( 1.207 -2.480 -5.822) 6.442 14.840 ( 2.606 -0.992 -1.291) 3.073 ======================= Grid point 382 (191/251) ======================= q-point: (-0.30 -0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( -10.011 -0.000 8.468) 13.112 1.277 ( -14.833 -0.000 8.981) 17.340 1.889 ( -2.586 -0.000 6.852) 7.324 2.027 ( -6.835 -0.000 -1.734) 7.051 2.259 ( 11.386 0.000 5.266) 12.545 2.542 ( 5.160 0.000 9.599) 10.898 2.653 ( 3.298 0.000 3.368) 4.714 2.913 ( -9.857 -0.000 15.043) 17.985 3.054 ( 5.173 0.000 5.428) 7.499 3.533 ( -0.892 -0.000 8.439) 8.486 3.533 ( 2.295 0.000 10.782) 11.023 3.825 ( 4.228 0.000 -6.721) 7.940 3.900 ( 9.237 0.000 -0.486) 9.250 3.951 ( -1.441 -0.000 -6.977) 7.125 4.277 ( 0.162 0.000 -9.244) 9.246 4.486 ( 0.834 0.000 -9.889) 9.924 4.497 ( -3.474 -0.000 -17.928) 18.262 4.697 ( 7.274 0.000 -10.455) 12.736 5.577 ( -7.147 -0.000 -3.624) 8.013 5.598 ( -4.073 -0.000 1.670) 4.402 6.143 ( 1.739 0.000 2.832) 3.324 6.175 ( 3.856 0.000 8.607) 9.431 6.217 ( -2.643 -0.000 14.736) 14.971 6.764 ( -15.404 -0.000 6.488) 16.715 6.902 ( 0.972 0.000 8.657) 8.712 7.201 ( 0.152 0.000 -3.475) 3.478 7.539 ( -6.005 -0.000 6.033) 8.512 7.592 ( -5.910 -0.000 -16.062) 17.115 8.035 ( 0.303 0.000 -9.445) 9.450 8.058 ( -3.350 -0.000 9.905) 10.456 8.168 ( -0.323 -0.000 11.934) 11.939 8.650 ( 0.047 0.000 -8.965) 8.965 8.705 ( 0.658 0.000 -9.532) 9.554 9.126 ( 2.939 0.000 -8.874) 9.348 10.343 ( -1.731 -0.000 0.244) 1.748 10.404 ( -3.686 -0.000 2.543) 4.478 11.802 ( -1.854 -0.000 5.801) 6.090 12.297 ( 4.270 0.000 -0.069) 4.271 13.688 ( 16.324 0.000 17.398) 23.858 13.912 ( -3.595 -0.000 -1.722) 3.986 14.573 ( -1.067 -0.000 -4.038) 4.176 14.599 ( 4.733 0.000 -4.125) 6.278 ======================= Grid point 383 (192/251) ======================= q-point: (-0.20 -0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.045 ( -7.471 -4.837 8.011) 11.975 1.247 ( -12.541 -7.213 10.389) 17.811 1.871 ( -3.652 0.147 9.435) 10.118 1.972 ( -5.463 0.491 -1.670) 5.734 2.354 ( 12.294 1.604 5.277) 13.474 2.542 ( 3.999 3.442 7.335) 9.035 2.662 ( 3.864 5.146 6.067) 8.845 2.919 ( -6.454 -4.550 11.182) 13.689 3.106 ( 7.248 0.875 3.047) 7.911 3.458 ( -0.409 4.934 7.891) 9.316 3.586 ( 1.037 0.529 9.923) 9.991 3.784 ( -1.108 7.906 -4.661) 9.244 3.898 ( 6.586 0.003 -2.218) 6.949 4.063 ( 9.838 -4.493 -2.897) 11.197 4.287 ( -0.108 -3.191 -8.237) 8.834 4.430 ( -0.570 -1.886 -10.647) 10.828 4.543 ( -2.299 -4.690 -10.539) 11.762 4.815 ( 5.118 -9.143 -13.545) 17.125 5.409 ( -6.946 9.818 4.549) 12.859 5.549 ( -7.801 -0.761 -2.681) 8.284 6.077 ( -1.780 7.964 3.521) 8.888 6.184 ( -4.871 -0.022 8.339) 9.657 6.358 ( 2.781 -8.386 3.996) 9.696 6.725 ( -7.325 -6.638 5.448) 11.287 6.863 ( 0.187 8.076 9.876) 12.759 7.173 ( 0.582 0.555 -3.689) 3.775 7.467 ( -6.259 4.412 -11.810) 14.075 7.538 ( -7.556 -3.804 2.506) 8.823 7.886 ( -8.464 12.535 6.797) 16.582 7.959 ( 3.443 8.011 -8.000) 11.833 8.197 ( 1.921 0.650 7.520) 7.788 8.473 ( 1.833 13.081 -10.065) 16.606 8.849 ( -3.905 -12.820 -1.509) 13.486 9.230 ( 2.592 -6.548 -10.096) 12.309 10.194 ( -1.609 8.341 1.690) 8.661 10.418 ( -1.552 0.120 2.551) 2.988 11.799 ( -1.301 0.124 5.824) 5.969 12.352 ( 2.158 -2.793 -0.617) 3.583 13.767 ( 14.250 8.011 11.546) 20.014 13.865 ( -3.007 1.988 -1.936) 4.092 14.561 ( 2.500 -0.183 -2.784) 3.746 14.695 ( 3.974 -5.536 -1.523) 6.982 ======================= Grid point 384 (193/251) ======================= q-point: (-0.10 -0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( -5.805 -8.229 4.532) 11.043 1.360 ( -8.700 -11.687 10.719) 18.088 1.881 ( -0.320 -1.324 5.777) 5.935 1.917 ( -4.634 1.040 -0.624) 4.790 2.372 ( 8.862 7.733 4.691) 12.663 2.535 ( 2.133 3.449 6.147) 7.364 2.587 ( 6.862 5.417 5.863) 10.527 2.949 ( -3.150 0.054 3.563) 4.756 3.131 ( 4.927 1.964 -1.104) 5.418 3.381 ( -1.032 4.046 2.937) 5.105 3.591 ( 1.480 4.068 5.920) 7.334 3.676 ( 3.274 0.287 6.781) 7.535 3.972 ( 3.372 -2.994 0.339) 4.522 4.131 ( 6.927 2.405 -3.331) 8.053 4.319 ( 1.215 -0.085 -5.302) 5.440 4.465 ( -2.674 -1.152 -5.424) 6.156 4.622 ( 1.320 -8.408 -6.878) 10.943 4.994 ( 1.923 -7.163 -11.411) 13.609 5.241 ( -5.512 0.824 3.671) 6.674 5.510 ( -5.621 -1.516 -3.616) 6.853 5.858 ( -6.066 12.472 3.858) 14.395 6.160 ( -5.691 -0.225 6.174) 8.400 6.468 ( -7.446 -6.719 -5.028) 11.219 6.667 ( -1.158 14.029 8.877) 16.642 6.918 ( 8.698 -10.637 3.585) 14.200 7.136 ( -3.742 3.842 -8.497) 10.048 7.372 ( -1.826 0.389 -3.302) 3.793 7.432 ( -9.317 12.767 -12.603) 20.214 7.626 ( -4.224 7.859 6.092) 10.804 7.864 ( 4.112 -0.439 0.566) 4.174 8.187 ( -1.208 2.298 2.862) 3.864 8.288 ( 4.848 8.606 -2.857) 10.283 8.981 ( -9.251 -4.941 3.610) 11.092 9.262 ( 3.668 1.981 -7.682) 8.740 10.147 ( 1.146 -2.804 0.342) 3.049 10.387 ( -0.529 2.443 3.701) 4.466 11.798 ( -1.435 0.033 6.793) 6.943 12.409 ( -0.060 -2.614 -0.090) 2.617 13.682 ( 8.213 12.655 9.704) 17.938 13.795 ( -1.144 3.041 -4.732) 5.740 14.595 ( 3.464 -1.110 -3.688) 5.180 14.816 ( 3.864 -4.047 -0.678) 5.636 ======================= Grid point 393 (194/251) ======================= q-point: (-0.20 -0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( -3.191 -0.000 13.311) 13.688 1.090 ( -13.535 -0.000 11.859) 17.996 1.853 ( -5.590 -0.000 13.135) 14.276 1.939 ( -3.404 -0.000 -2.553) 4.255 2.486 ( 14.525 0.000 5.199) 15.427 2.627 ( 0.315 0.000 9.736) 9.741 2.729 ( 5.283 0.000 3.018) 6.084 2.860 ( -3.783 -0.000 13.901) 14.407 3.200 ( 10.824 0.000 5.502) 12.142 3.506 ( -6.780 -0.000 8.761) 11.078 3.629 ( 3.844 0.000 11.132) 11.777 3.848 ( 2.532 0.000 -11.072) 11.358 3.996 ( 8.902 0.000 -0.599) 8.923 4.034 ( 8.216 0.000 -0.664) 8.243 4.230 ( -1.842 -0.000 -9.964) 10.132 4.388 ( -2.567 -0.000 -13.473) 13.716 4.439 ( -2.242 -0.000 -9.131) 9.402 4.760 ( 5.795 0.000 -12.373) 13.663 5.376 ( -15.980 -0.000 -3.120) 16.282 5.530 ( -4.975 -0.000 2.016) 5.368 6.145 ( -3.231 -0.000 2.414) 4.033 6.168 ( -3.461 -0.000 7.758) 8.495 6.360 ( 9.125 0.000 7.485) 11.803 6.567 ( -11.974 -0.000 6.035) 13.409 6.958 ( 1.764 0.000 8.470) 8.652 7.148 ( -4.742 -0.000 -5.754) 7.456 7.447 ( -6.714 -0.000 -8.057) 10.488 7.455 ( -5.164 -0.000 2.011) 5.541 7.986 ( -7.162 -0.000 13.795) 15.544 8.032 ( 3.731 0.000 -12.612) 13.152 8.249 ( 2.376 0.000 8.882) 9.194 8.599 ( -2.242 -0.000 -7.810) 8.126 8.682 ( 1.083 0.000 -10.345) 10.402 9.140 ( 2.663 0.000 -9.012) 9.398 10.327 ( -7.250 -0.000 4.100) 8.329 10.339 ( 1.107 0.000 -0.239) 1.133 11.805 ( -0.160 -0.000 5.307) 5.309 12.335 ( 0.803 0.000 -1.758) 1.933 13.863 ( -1.987 -0.000 0.298) 2.009 13.958 ( 9.685 0.000 4.061) 10.502 14.608 ( 7.863 0.000 3.684) 8.684 14.664 ( 4.955 0.000 -2.999) 5.792 ======================= Grid point 394 (195/251) ======================= q-point: (-0.10 -0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( -3.032 -2.666 11.977) 12.639 1.122 ( -7.947 -9.085 13.915) 18.421 1.853 ( -2.961 -1.747 12.791) 13.245 1.907 ( -1.835 0.790 -2.223) 2.989 2.575 ( 9.925 3.497 6.848) 12.555 2.598 ( 1.230 3.389 6.074) 7.063 2.749 ( 5.078 4.747 6.387) 9.440 2.902 ( -0.169 -4.126 7.459) 8.526 3.253 ( 8.486 4.724 2.894) 10.134 3.433 ( -4.697 2.681 4.611) 7.107 3.662 ( 2.841 0.966 11.328) 11.719 3.773 ( 1.612 5.838 -3.025) 6.770 3.997 ( 6.544 3.639 -5.440) 9.255 4.192 ( 6.951 -2.348 -2.684) 7.812 4.269 ( 2.103 -5.414 -5.191) 7.790 4.376 ( -1.163 -5.559 -7.965) 9.782 4.459 ( -3.694 -5.427 -8.761) 10.948 4.834 ( 3.321 -6.614 -13.803) 15.662 5.219 ( -16.490 2.449 1.525) 16.740 5.475 ( -2.320 1.318 1.921) 3.288 6.025 ( -6.667 9.481 4.517) 12.440 6.156 ( -2.170 0.317 5.858) 6.255 6.345 ( -4.114 1.358 1.470) 4.575 6.702 ( -1.128 -13.732 5.446) 14.815 6.901 ( 0.825 8.514 6.025) 10.463 7.123 ( -4.566 -2.680 -4.919) 7.226 7.326 ( -5.719 4.721 -8.653) 11.395 7.452 ( -3.538 -0.794 -0.137) 3.628 7.836 ( -1.474 12.068 10.459) 16.037 7.993 ( 4.911 5.573 -8.810) 11.524 8.233 ( -0.779 3.256 6.728) 7.515 8.474 ( 2.892 9.569 -9.338) 13.679 8.771 ( -5.153 -9.730 -1.275) 11.084 9.231 ( 2.366 -6.409 -12.058) 13.859 10.187 ( -1.119 5.383 3.962) 6.777 10.391 ( -2.449 -1.289 1.947) 3.383 11.811 ( 0.301 0.584 5.585) 5.623 12.355 ( -1.056 -2.499 -2.292) 3.551 13.832 ( -0.526 2.325 -0.184) 2.391 13.932 ( 2.414 7.763 2.313) 8.452 14.645 ( 7.937 2.311 -0.229) 8.270 14.775 ( 7.096 -4.567 0.488) 8.453 ======================= Grid point 404 (196/251) ======================= q-point: (-0.10 -0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.970 ( -7.174 -0.000 15.598) 17.169 1.052 ( 4.760 0.000 16.965) 17.620 1.837 ( -2.853 -0.000 16.309) 16.556 1.902 ( 0.073 0.000 -3.604) 3.605 2.620 ( -4.610 -0.000 7.090) 8.457 2.709 ( 10.072 0.000 4.917) 11.208 2.854 ( 9.837 0.000 3.705) 10.512 2.870 ( -1.843 -0.000 11.003) 11.156 3.392 ( -10.609 -0.000 5.669) 12.028 3.399 ( 10.628 0.000 3.919) 11.328 3.714 ( 2.936 0.000 8.913) 9.384 3.852 ( 2.794 0.000 -8.584) 9.027 4.139 ( 4.976 0.000 -6.123) 7.890 4.162 ( 10.592 0.000 -1.050) 10.644 4.188 ( 2.104 0.000 -2.585) 3.334 4.317 ( -2.364 -0.000 -6.400) 6.822 4.361 ( -2.647 -0.000 -8.841) 9.229 4.780 ( 2.762 0.000 -13.872) 14.144 5.102 ( -16.984 -0.000 0.731) 17.000 5.462 ( -4.665 -0.000 1.150) 4.805 6.069 ( -7.439 -0.000 6.615) 9.955 6.141 ( -3.207 -0.000 5.201) 6.111 6.446 ( -6.153 -0.000 4.339) 7.529 6.487 ( 4.031 0.000 1.570) 4.326 6.996 ( -3.445 -0.000 3.793) 5.124 7.046 ( -1.882 -0.000 -2.266) 2.945 7.323 ( -6.791 -0.000 -3.489) 7.635 7.437 ( 3.615 0.000 -1.244) 3.823 7.953 ( -4.787 -0.000 15.040) 15.783 8.060 ( 5.699 0.000 -11.164) 12.535 8.294 ( 0.488 0.000 6.870) 6.887 8.541 ( -1.235 -0.000 -6.306) 6.426 8.669 ( 2.411 0.000 -11.487) 11.738 9.132 ( 0.742 0.000 -11.284) 11.308 10.224 ( -7.987 -0.000 6.266) 10.151 10.366 ( 2.163 0.000 -0.354) 2.192 11.836 ( 1.592 0.000 5.307) 5.541 12.311 ( -2.423 -0.000 -3.472) 4.234 13.860 ( 1.054 0.000 2.057) 2.311 13.984 ( -5.038 -0.000 -0.781) 5.099 14.721 ( 3.064 0.000 -1.377) 3.359 14.827 ( 15.535 0.000 0.865) 15.559 ======================= Grid point 405 (197/251) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( -2.435 -0.000 13.004) 13.230 1.441 ( 7.720 0.000 0.384) 7.729 1.855 ( 0.497 0.000 2.852) 2.895 1.978 ( 1.100 0.000 -4.640) 4.769 2.716 ( -7.964 -0.000 10.997) 13.578 2.869 ( 5.326 0.000 -2.443) 5.860 2.979 ( -9.843 -0.000 5.352) 11.204 3.075 ( 14.188 0.000 -3.097) 14.522 3.338 ( -13.115 -0.000 8.327) 15.535 3.532 ( 11.713 0.000 -8.288) 14.349 3.794 ( 0.274 0.000 1.651) 1.673 3.812 ( 3.045 0.000 6.960) 7.597 3.928 ( 2.838 0.000 -10.084) 10.476 3.998 ( -8.033 -0.000 -9.149) 12.174 4.262 ( 0.166 0.000 2.255) 2.261 4.346 ( 5.153 0.000 -5.008) 7.186 4.484 ( -8.444 -0.000 7.936) 11.588 4.574 ( 8.704 0.000 -4.354) 9.732 5.055 ( 2.212 0.000 10.684) 10.911 5.275 ( -7.279 -0.000 -9.151) 11.693 6.179 ( -4.118 -0.000 3.101) 5.155 6.185 ( 1.684 0.000 3.780) 4.138 6.484 ( -6.497 -0.000 4.886) 8.129 6.526 ( 4.191 0.000 0.116) 4.192 6.891 ( 2.546 0.000 3.996) 4.738 7.059 ( -6.413 -0.000 -9.877) 11.777 7.212 ( -3.006 -0.000 8.395) 8.917 7.399 ( 7.573 0.000 -9.616) 12.240 8.111 ( -13.896 -0.000 7.350) 15.720 8.118 ( 10.530 0.000 3.886) 11.225 8.407 ( 5.017 0.000 -5.465) 7.419 8.418 ( 2.999 0.000 -6.306) 6.983 8.570 ( 3.253 0.000 7.575) 8.244 8.791 ( -4.689 -0.000 -13.179) 13.989 10.272 ( -4.997 -0.000 5.890) 7.725 10.364 ( 3.329 0.000 -3.198) 4.617 12.008 ( 2.350 0.000 6.489) 6.902 12.137 ( -3.203 -0.000 -6.193) 6.972 13.917 ( -5.819 -0.000 2.335) 6.270 13.939 ( 3.906 0.000 0.274) 3.916 14.770 ( 0.086 0.000 3.154) 3.155 14.867 ( 1.937 0.000 -6.276) 6.568 ======================= Grid point 406 (198/251) ======================= q-point: ( 0.10 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( -3.542 -2.701 8.558) 9.648 1.498 ( 8.510 0.313 0.770) 8.550 1.846 ( 0.544 1.849 2.010) 2.785 1.967 ( 2.399 1.784 -7.642) 8.205 2.675 ( -5.533 0.709 10.100) 11.538 2.792 ( -4.539 7.718 4.743) 10.133 2.938 ( -3.717 1.433 -3.679) 5.423 3.156 ( 12.933 2.077 -4.181) 13.749 3.253 ( -12.073 -0.150 6.846) 13.880 3.498 ( 7.544 8.802 -0.903) 11.628 3.753 ( -1.321 3.054 -5.113) 6.100 3.847 ( 6.489 3.583 -3.455) 8.178 3.923 ( 0.230 -3.595 3.723) 5.181 4.027 ( -0.983 -5.315 -5.653) 7.821 4.281 ( -6.049 -2.966 1.638) 6.933 4.381 ( 2.082 -2.543 -5.584) 6.479 4.442 ( -8.060 -2.286 3.395) 9.040 4.657 ( 8.295 -1.825 -3.673) 9.253 5.172 ( 3.985 -6.712 12.946) 15.117 5.269 ( -5.977 -7.079 -7.845) 12.140 6.101 ( -0.456 9.836 6.995) 12.078 6.142 ( -0.349 3.961 1.653) 4.306 6.448 ( -2.139 1.068 6.429) 6.860 6.603 ( 3.985 -1.622 -3.505) 5.550 6.863 ( 1.670 6.158 7.808) 10.083 6.965 ( -0.312 3.432 -7.962) 8.675 7.151 ( -3.501 3.896 5.457) 7.564 7.396 ( 7.997 4.027 -11.495) 14.570 7.976 ( -10.533 4.167 6.263) 12.944 8.216 ( 4.357 -1.716 2.999) 5.561 8.252 ( 1.963 14.846 -6.078) 16.162 8.387 ( 6.825 2.954 -4.727) 8.812 8.732 ( 0.087 -9.798 6.642) 11.838 8.884 ( 1.497 -11.924 -11.463) 16.607 10.258 ( -4.525 -1.146 5.059) 6.883 10.375 ( 2.894 1.166 -1.540) 3.479 12.030 ( 1.297 0.652 7.762) 7.897 12.124 ( -2.020 -2.350 -6.794) 7.468 13.832 ( -6.223 4.440 4.770) 9.011 13.950 ( 3.639 2.326 -1.242) 4.494 14.755 ( -2.010 1.452 3.007) 3.897 14.839 ( -1.214 1.825 -6.796) 7.140 ======================= Grid point 407 (199/251) ======================= q-point: ( 0.20 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.321 ( -5.363 -1.761 2.057) 6.008 1.560 ( 9.329 3.053 9.803) 13.873 1.839 ( 2.162 -1.580 -4.666) 5.380 1.923 ( 3.455 3.534 -8.093) 9.483 2.574 ( -6.436 10.032 6.732) 13.689 2.631 ( -4.853 5.564 4.983) 8.907 2.804 ( -8.090 6.341 -4.513) 11.226 3.167 ( 3.687 2.582 -7.846) 9.046 3.219 ( -0.043 -0.484 4.859) 4.883 3.385 ( 1.070 6.825 0.451) 6.923 3.727 ( 3.252 0.157 0.165) 3.260 3.828 ( 7.322 5.153 -2.478) 9.290 3.974 ( -0.892 -2.142 3.339) 4.067 4.068 ( -3.619 -1.281 -4.225) 5.708 4.270 ( -7.926 -2.152 2.695) 8.643 4.447 ( 1.179 -4.242 -5.417) 6.980 4.514 ( -1.185 -9.455 4.586) 10.575 4.740 ( 3.699 -3.555 -5.968) 7.870 5.325 ( -0.645 -3.992 8.785) 9.671 5.373 ( -2.974 -7.733 -4.475) 9.416 5.835 ( -1.847 19.558 12.581) 23.328 6.057 ( 3.214 6.956 -3.499) 8.423 6.391 ( -0.199 4.970 1.364) 5.158 6.566 ( 8.935 9.508 1.381) 13.120 6.799 ( 0.232 3.204 8.138) 8.749 6.938 ( 4.882 1.272 -4.292) 6.624 7.107 ( -4.854 -3.554 -1.135) 6.122 7.401 ( 8.708 -1.039 -9.282) 12.770 7.844 ( -7.184 3.930 5.433) 9.827 7.968 ( -2.737 14.375 -4.446) 15.294 8.245 ( -0.785 -1.289 -3.253) 3.586 8.415 ( 7.844 1.412 -1.420) 8.095 8.923 ( 1.304 -8.933 7.483) 11.726 9.091 ( 5.665 -9.209 -10.084) 14.785 10.243 ( -5.233 -0.821 1.414) 5.483 10.362 ( 2.073 2.632 2.195) 4.005 12.039 ( -1.045 -0.016 9.862) 9.918 12.166 ( 0.651 -4.239 -7.487) 8.629 13.689 ( -7.359 6.850 7.419) 12.495 13.906 ( 3.204 5.205 -3.915) 7.259 14.710 ( -2.334 1.748 2.760) 4.014 14.770 ( -2.271 2.777 -6.330) 7.276 ======================= Grid point 408 (200/251) ======================= q-point: ( 0.30 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.314 ( -2.603 -1.325 1.485) 3.277 1.547 ( 5.178 5.371 8.279) 11.144 1.880 ( 5.257 2.452 -4.716) 7.475 1.932 ( 5.413 -3.903 -7.566) 10.089 2.338 ( -6.791 11.115 5.060) 13.973 2.427 ( -3.681 12.377 -2.507) 13.154 2.654 ( -11.168 1.500 0.549) 11.282 3.144 ( 3.447 1.343 -9.175) 9.893 3.232 ( 1.343 0.948 2.535) 3.022 3.284 ( -1.799 4.277 0.163) 4.643 3.732 ( 2.915 3.078 0.912) 4.336 3.795 ( 4.687 3.290 2.498) 6.248 3.984 ( -4.686 0.222 5.896) 7.534 4.050 ( -2.345 -2.233 -3.717) 4.930 4.258 ( -2.642 -0.866 -0.358) 2.804 4.502 ( 2.268 -0.107 -2.422) 3.320 4.725 ( 0.279 -11.795 6.854) 13.644 4.832 ( -0.112 -6.634 -7.940) 10.347 5.212 ( -3.925 17.125 5.230) 18.331 5.345 ( -1.462 9.234 1.365) 9.448 5.631 ( -3.715 -2.467 3.052) 5.404 5.968 ( 6.594 6.575 -3.823) 10.067 6.302 ( 4.242 6.783 0.642) 8.026 6.497 ( 7.673 5.432 8.536) 12.698 6.785 ( 3.355 1.078 0.613) 3.577 6.941 ( 2.629 -0.617 -5.962) 6.545 7.179 ( -5.191 -6.599 -0.785) 8.433 7.533 ( 7.344 -6.567 -3.621) 10.496 7.709 ( -2.556 10.643 -5.302) 12.162 7.751 ( -4.473 2.925 5.650) 7.778 8.278 ( 0.665 -3.354 -3.024) 4.565 8.425 ( 2.111 0.947 -1.940) 3.020 9.034 ( -1.181 -1.300 3.327) 3.762 9.247 ( 8.206 -3.324 -5.470) 10.407 10.239 ( -3.206 -2.959 -0.096) 4.364 10.325 ( 0.065 2.511 3.385) 4.215 12.055 ( -2.706 -1.248 12.186) 12.545 12.246 ( 2.574 -4.599 -7.848) 9.454 13.513 ( -8.036 7.394 8.846) 14.053 13.803 ( 2.067 7.494 -6.343) 10.033 14.673 ( -1.806 1.058 -4.693) 5.139 14.705 ( -0.395 1.680 1.591) 2.347 ======================= Grid point 409 (201/251) ======================= q-point: ( 0.40 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.341 ( 0.701 -1.679 4.294) 4.664 1.539 ( 2.541 -1.587 0.947) 3.142 1.872 ( 7.354 4.050 -6.729) 10.760 1.988 ( 0.447 -0.321 -2.066) 2.138 2.104 ( -5.180 8.877 -1.281) 10.357 2.219 ( -1.397 8.184 -1.624) 8.460 2.567 ( -6.858 0.234 2.394) 7.268 3.124 ( 2.107 2.588 -6.437) 7.251 3.211 ( -1.247 -0.276 -4.888) 5.052 3.224 ( -0.699 2.591 6.516) 7.047 3.723 ( 4.002 -0.337 -2.371) 4.664 3.747 ( -2.178 4.407 7.630) 9.077 3.949 ( -3.639 0.874 8.162) 8.979 4.080 ( 1.863 -1.720 -7.411) 7.833 4.239 ( -0.148 2.533 1.082) 2.758 4.472 ( 1.464 3.760 -1.505) 4.307 4.817 ( -2.592 9.946 0.392) 10.285 4.908 ( -1.154 -5.861 5.110) 7.861 4.977 ( -1.892 -2.468 -7.154) 7.801 5.246 ( -0.094 -0.289 3.348) 3.362 5.690 ( -1.801 -3.492 2.276) 4.541 5.893 ( 5.384 5.749 -8.978) 11.943 6.243 ( 7.057 4.434 4.965) 9.701 6.497 ( 1.440 1.353 6.947) 7.222 6.803 ( 4.378 0.400 -5.140) 6.764 7.001 ( 0.723 -4.531 -2.982) 5.472 7.196 ( -7.417 -0.972 0.265) 7.485 7.505 ( -2.790 7.148 -4.958) 9.136 7.675 ( 3.106 0.962 3.911) 5.086 7.752 ( 4.008 -6.716 -1.138) 7.903 8.272 ( -0.829 5.329 -1.468) 5.590 8.504 ( 0.666 -9.476 -1.612) 9.635 8.995 ( -3.603 1.778 0.159) 4.021 9.274 ( 5.833 6.371 -0.000) 8.638 10.280 ( -1.034 -2.242 1.329) 2.804 10.322 ( 0.170 -2.143 0.526) 2.213 12.080 ( -3.633 -1.387 13.683) 14.225 12.326 ( 3.220 -3.110 -7.789) 8.984 13.361 ( -6.693 4.082 7.786) 11.049 13.670 ( 1.794 7.146 -6.567) 9.869 14.626 ( -0.638 1.429 -6.514) 6.700 14.713 ( 0.851 -1.033 3.254) 3.518 ======================= Grid point 410 (202/251) ======================= q-point: (-0.50 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( 0.881 -6.338 -2.374) 6.826 1.645 ( 0.220 -6.943 2.693) 7.450 1.738 ( 1.043 12.781 -7.070) 14.643 1.994 ( -0.861 -1.505 -0.290) 1.758 2.029 ( -0.880 -2.332 0.811) 2.621 2.097 ( 0.450 2.801 -4.284) 5.138 2.548 ( 1.674 0.834 3.154) 3.666 3.073 ( 0.049 2.529 -2.073) 3.271 3.163 ( -1.955 3.588 4.656) 6.194 3.244 ( 0.807 -3.125 -2.377) 4.008 3.647 ( -6.561 3.403 9.319) 11.894 3.808 ( 8.177 -3.430 -6.328) 10.894 3.929 ( -1.620 0.525 7.748) 7.933 4.118 ( 1.696 -2.911 -9.256) 9.850 4.189 ( 0.945 2.411 4.309) 5.027 4.424 ( 0.159 1.568 -0.372) 1.619 4.736 ( 0.885 -4.036 -4.780) 6.318 4.942 ( -4.768 -0.168 -1.757) 5.084 4.995 ( 0.811 -0.408 -5.101) 5.181 5.343 ( -0.709 -7.416 9.032) 11.707 5.696 ( -1.144 1.822 -3.145) 3.810 5.816 ( 1.775 4.491 -7.492) 8.914 6.292 ( 3.637 -2.999 3.761) 6.030 6.511 ( 0.856 -2.996 1.465) 3.443 6.778 ( -2.543 3.787 -0.992) 4.668 7.033 ( -3.455 -0.537 -4.102) 5.390 7.176 ( 1.440 -0.956 2.324) 2.896 7.393 ( 0.612 3.936 -1.588) 4.288 7.690 ( 2.838 -1.681 -1.503) 3.625 7.900 ( 0.648 -3.190 -0.412) 3.281 8.146 ( -1.491 3.869 0.632) 4.195 8.610 ( -0.745 1.337 0.379) 1.577 8.966 ( -1.463 0.608 2.421) 2.894 9.190 ( 0.964 1.331 2.166) 2.719 10.304 ( -0.425 -0.540 1.399) 1.558 10.356 ( 0.390 -0.613 -1.569) 1.729 12.087 ( -3.953 0.256 13.927) 14.479 12.372 ( 2.962 -0.942 -8.148) 8.721 13.324 ( -2.778 -3.319 5.096) 6.686 13.577 ( 2.250 3.555 -4.162) 5.918 14.592 ( 0.168 1.293 -4.014) 4.220 14.751 ( 0.877 -1.870 -0.215) 2.077 ======================= Grid point 411 (203/251) ======================= q-point: (-0.40 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.478 ( -0.985 11.120 -6.542) 12.940 1.577 ( -1.575 -10.041 -4.997) 11.326 1.746 ( -1.265 -3.196 4.695) 5.819 1.950 ( -5.906 3.458 2.116) 7.164 2.111 ( 2.550 -8.529 -0.269) 8.907 2.219 ( 4.449 -10.652 -2.452) 11.801 2.569 ( 8.556 1.229 2.668) 9.046 3.028 ( -1.896 2.221 3.107) 4.264 3.107 ( -0.303 1.530 3.673) 3.991 3.307 ( 1.514 -2.909 -1.376) 3.557 3.591 ( -5.219 -1.103 7.385) 9.110 3.883 ( 1.363 0.375 -0.654) 1.558 3.958 ( 3.795 -2.895 0.714) 4.827 4.156 ( 1.461 -0.701 -5.994) 6.209 4.202 ( 3.018 -0.499 2.803) 4.149 4.422 ( -1.370 -1.353 2.703) 3.319 4.849 ( -3.867 6.026 -0.125) 7.161 4.931 ( 6.421 -8.724 -7.644) 13.258 5.026 ( -0.802 -10.140 -6.527) 12.086 5.417 ( -2.058 0.821 -6.262) 6.643 5.679 ( -4.653 -5.467 -2.239) 7.520 5.744 ( 0.015 1.934 4.027) 4.467 6.349 ( -5.751 -4.636 -3.301) 8.091 6.616 ( -3.437 -3.385 0.278) 4.832 6.680 ( -0.552 0.195 0.035) 0.587 6.992 ( -2.837 1.456 -1.192) 3.404 7.215 ( 8.785 2.276 -0.882) 9.117 7.385 ( 2.046 -2.123 5.087) 5.879 7.743 ( 0.110 5.386 -0.491) 5.410 7.814 ( -5.667 -2.531 -8.237) 10.313 8.204 ( 2.985 -4.452 5.122) 7.414 8.443 ( -1.443 13.334 4.172) 14.046 8.961 ( 0.792 -1.580 3.281) 3.726 9.253 ( -3.715 -4.240 2.322) 6.096 10.283 ( -0.264 2.711 0.252) 2.735 10.353 ( 0.638 0.066 -1.722) 1.838 12.057 ( -3.647 2.404 12.891) 13.611 12.376 ( 1.957 0.829 -9.557) 9.791 13.448 ( 1.472 -9.657 2.774) 10.154 13.573 ( 2.269 -1.526 -0.556) 2.791 14.570 ( 0.906 0.944 -1.402) 1.918 14.786 ( 0.706 -1.610 -3.436) 3.860 ======================= Grid point 412 (204/251) ======================= q-point: (-0.30 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( -0.545 6.347 2.123) 6.714 1.696 ( -7.456 0.933 2.156) 7.817 1.769 ( 1.203 -5.058 -1.700) 5.470 1.853 ( -4.368 1.118 0.374) 4.524 2.339 ( 3.863 -12.771 4.237) 13.999 2.457 ( 4.789 -12.140 -4.226) 13.717 2.662 ( 12.311 -1.811 0.752) 12.466 2.986 ( -3.726 0.210 6.543) 7.532 3.126 ( 2.592 -1.358 4.741) 5.571 3.357 ( -0.152 -2.393 -1.012) 2.602 3.636 ( -2.094 -5.382 6.225) 8.491 3.851 ( -3.609 1.412 0.655) 3.930 4.022 ( 1.666 0.083 -1.659) 2.353 4.147 ( 2.746 1.934 -2.770) 4.354 4.234 ( 5.544 0.355 -2.428) 6.062 4.439 ( -1.834 -0.082 4.093) 4.486 4.691 ( -1.561 8.131 0.864) 8.325 4.921 ( 1.755 7.335 -8.435) 11.315 5.281 ( 2.423 -5.236 -1.574) 5.980 5.403 ( -3.262 -6.014 -3.114) 7.517 5.705 ( 0.777 -6.067 -2.172) 6.491 5.895 ( -6.994 -16.850 -1.236) 18.286 6.354 ( -6.244 -1.368 -3.403) 7.242 6.626 ( -7.904 -7.138 5.759) 12.108 6.700 ( -5.834 -3.326 -5.012) 8.379 6.992 ( 2.838 -2.857 -7.357) 8.387 7.189 ( 7.593 8.284 -1.341) 11.317 7.459 ( -1.646 5.004 4.470) 6.908 7.591 ( -3.927 -4.704 4.270) 7.469 7.906 ( 3.945 -4.768 -8.382) 10.419 8.192 ( 0.262 6.679 5.328) 8.548 8.343 ( 1.160 -1.335 5.943) 6.201 9.022 ( -1.691 -2.621 4.188) 5.222 9.212 ( -4.047 4.851 -1.578) 6.512 10.227 ( 1.441 3.136 0.602) 3.503 10.376 ( -0.065 -2.189 -1.176) 2.486 12.004 ( -2.452 2.893 11.110) 11.740 12.338 ( 0.237 2.329 -10.384) 10.644 13.644 ( 3.283 -6.124 -3.222) 7.659 13.669 ( 1.336 -9.814 5.904) 11.531 14.578 ( 2.567 -0.804 1.245) 2.964 14.805 ( 1.165 -0.706 -4.953) 5.137 ======================= Grid point 413 (205/251) ======================= q-point: (-0.20 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.260 ( 3.734 0.972 7.613) 8.535 1.526 ( -8.492 8.121 11.077) 16.148 1.833 ( -1.622 -0.940 -0.490) 1.938 1.891 ( 1.396 -5.610 -5.942) 8.290 2.596 ( 2.005 -11.591 5.398) 12.942 2.666 ( 1.815 -7.438 0.575) 7.678 2.804 ( 13.735 -2.498 -2.216) 14.135 3.005 ( -5.376 -4.578 6.815) 9.814 3.201 ( 7.309 -2.360 2.170) 7.981 3.396 ( -3.755 -3.956 1.641) 5.696 3.743 ( -2.714 -6.221 2.663) 7.291 3.796 ( -3.010 0.358 -2.857) 4.166 3.958 ( -0.675 6.112 3.330) 6.993 4.133 ( 1.356 0.846 -5.212) 5.451 4.285 ( 7.805 -0.264 -2.361) 8.158 4.384 ( 0.459 5.783 0.770) 5.852 4.576 ( 0.330 4.543 2.997) 5.452 4.730 ( -0.621 10.542 -9.460) 14.178 5.260 ( -3.271 6.930 6.682) 10.167 5.448 ( 1.528 -0.707 -3.143) 3.565 5.896 ( -4.110 -13.024 6.077) 14.949 6.105 ( -4.379 -10.253 -7.125) 13.232 6.337 ( -2.543 -2.434 4.335) 5.584 6.706 ( -10.699 -9.618 -9.803) 17.409 6.806 ( -3.799 -9.915 4.298) 11.455 6.986 ( -3.999 3.078 -4.893) 7.029 7.167 ( 10.503 -2.687 -7.912) 13.421 7.265 ( -6.624 7.301 3.133) 10.345 7.812 ( 3.240 -13.492 7.327) 15.691 7.985 ( 7.112 -0.592 -3.605) 7.995 8.173 ( 1.431 -2.861 2.941) 4.345 8.368 ( -3.100 -0.806 2.848) 4.285 8.939 ( -7.037 8.985 5.285) 12.577 9.094 ( 0.816 5.832 -9.399) 11.092 10.227 ( 3.612 -0.634 2.453) 4.412 10.395 ( -2.699 -0.794 -0.643) 2.886 11.970 ( -0.436 1.483 9.065) 9.196 12.267 ( -1.493 2.855 -9.544) 10.073 13.761 ( 1.931 -5.571 1.461) 6.075 13.849 ( 0.024 -7.613 0.230) 7.617 14.648 ( 4.428 -3.282 2.781) 6.174 14.815 ( 2.473 -0.016 -4.568) 5.194 ======================= Grid point 414 (206/251) ======================= q-point: (-0.10 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( 1.165 1.807 11.732) 11.928 1.395 ( 0.945 2.514 7.353) 7.828 1.841 ( -0.729 -0.946 1.248) 1.727 1.961 ( 1.026 -2.218 -4.361) 4.999 2.735 ( -5.954 -2.823 8.936) 11.103 2.781 ( 2.918 -5.599 0.778) 6.362 2.950 ( 14.809 -1.746 -2.820) 15.176 3.031 ( -7.280 -1.658 5.546) 9.300 3.348 ( 8.377 -5.582 -1.325) 10.154 3.427 ( -8.682 -3.856 4.463) 10.496 3.751 ( 1.220 -0.694 -3.691) 3.949 3.854 ( -2.791 -6.146 -6.249) 9.199 3.868 ( 2.931 5.551 6.406) 8.969 4.106 ( -4.016 1.074 -7.280) 8.384 4.284 ( 3.628 5.563 0.822) 6.692 4.328 ( 6.705 1.854 -1.513) 7.119 4.532 ( -1.319 1.888 6.656) 7.043 4.571 ( 2.337 5.031 -6.771) 8.754 5.108 ( -2.424 6.897 6.795) 9.981 5.385 ( -4.613 4.104 -7.253) 9.525 6.088 ( -1.527 -8.971 5.668) 10.720 6.180 ( -3.939 -3.501 0.186) 5.273 6.417 ( 0.819 -4.780 7.444) 8.885 6.650 ( -5.601 6.540 -5.481) 10.207 6.855 ( -3.413 -2.694 1.522) 4.607 7.048 ( -5.293 -8.941 -8.500) 13.424 7.175 ( -3.275 -2.096 8.365) 9.225 7.314 ( 7.114 -4.776 -9.573) 12.847 8.040 ( 8.523 0.525 1.760) 8.718 8.078 ( -0.424 -11.283 7.416) 13.509 8.285 ( -1.812 -8.107 0.729) 8.339 8.352 ( -0.525 -1.289 -4.474) 4.686 8.713 ( -1.213 12.249 3.899) 12.911 8.939 ( -1.928 8.273 -12.019) 14.718 10.282 ( 0.485 -1.539 3.815) 4.142 10.363 ( -1.654 1.165 -1.434) 2.480 11.978 ( 1.520 0.011 7.193) 7.352 12.190 ( -2.748 1.873 -7.494) 8.199 13.868 ( 1.613 -4.287 1.955) 4.980 13.931 ( -2.363 -2.890 -0.327) 3.747 14.739 ( 2.811 -2.049 2.745) 4.431 14.839 ( 3.946 -0.846 -4.608) 6.125 ======================= Grid point 416 (207/251) ======================= q-point: ( 0.10 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( -1.546 -0.000 7.082) 7.248 1.543 ( 7.150 0.000 -7.512) 10.370 1.889 ( 1.774 0.000 4.668) 4.994 1.985 ( 2.800 0.000 -8.371) 8.827 2.655 ( -5.531 -0.000 12.441) 13.615 2.826 ( -10.363 -0.000 0.523) 10.377 2.913 ( -0.838 -0.000 1.111) 1.392 3.183 ( -9.201 -0.000 6.484) 11.256 3.263 ( 11.112 0.000 -4.503) 11.990 3.658 ( 7.615 0.000 -6.147) 9.786 3.804 ( -0.268 -0.000 -1.432) 1.456 3.861 ( -3.645 -0.000 -5.121) 6.286 3.908 ( 4.809 0.000 9.858) 10.968 3.930 ( 0.323 0.000 -8.418) 8.424 4.208 ( -7.605 -0.000 -0.809) 7.648 4.345 ( -0.768 -0.000 -8.591) 8.625 4.380 ( -4.355 -0.000 3.429) 5.543 4.697 ( 5.683 0.000 -4.188) 7.059 5.141 ( -4.267 -0.000 -5.862) 7.250 5.178 ( 5.746 0.000 14.789) 15.866 6.141 ( -2.139 -0.000 3.840) 4.396 6.247 ( 4.007 0.000 4.698) 6.175 6.432 ( -1.826 -0.000 2.744) 3.296 6.617 ( 6.384 0.000 3.920) 7.492 6.962 ( -1.757 -0.000 -8.081) 8.270 6.998 ( 6.476 0.000 11.549) 13.240 7.186 ( -2.518 -0.000 4.169) 4.870 7.479 ( 7.855 0.000 -13.240) 15.395 7.919 ( -12.500 -0.000 3.769) 13.055 8.255 ( 3.440 0.000 5.150) 6.193 8.459 ( 4.611 0.000 -6.860) 8.266 8.489 ( 9.994 0.000 -9.283) 13.640 8.654 ( 2.307 0.000 11.153) 11.389 8.674 ( -3.469 -0.000 -12.674) 13.140 10.226 ( -3.607 -0.000 6.232) 7.200 10.405 ( 3.212 0.000 -2.157) 3.869 12.066 ( 1.597 0.000 7.303) 7.476 12.071 ( -2.346 -0.000 -5.535) 6.011 13.831 ( -6.756 -0.000 5.068) 8.446 13.997 ( 3.153 0.000 -0.127) 3.155 14.747 ( -4.197 -0.000 2.553) 4.912 14.821 ( -4.084 -0.000 -7.716) 8.730 ======================= Grid point 417 (208/251) ======================= q-point: ( 0.20 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( -1.140 -0.040 2.259) 2.531 1.626 ( 8.508 -3.940 -5.587) 10.914 1.871 ( 1.125 3.600 3.643) 5.244 1.980 ( 3.193 1.642 -9.032) 9.719 2.623 ( -8.595 0.535 10.197) 13.347 2.686 ( -7.133 7.049 4.838) 11.135 2.875 ( -4.401 4.298 -3.655) 7.155 3.105 ( -9.138 0.416 3.408) 9.761 3.317 ( 9.358 1.972 -3.824) 10.300 3.575 ( 2.580 12.416 -2.212) 12.872 3.734 ( 1.952 -1.020 -2.374) 3.238 3.878 ( -3.986 -3.247 0.823) 5.206 3.979 ( 8.147 -1.761 -1.054) 8.401 4.052 ( 4.149 0.184 -3.218) 5.254 4.124 ( -11.588 -4.486 2.789) 12.735 4.338 ( -3.584 -3.136 -7.680) 9.037 4.396 ( -0.641 -3.719 1.123) 3.938 4.712 ( -0.917 -1.222 -8.240) 8.380 5.197 ( 1.351 -7.461 -0.579) 7.605 5.286 ( 3.833 -3.547 12.404) 13.459 6.106 ( -0.451 5.000 2.961) 5.829 6.194 ( 3.292 9.062 7.997) 12.527 6.433 ( 0.360 0.289 0.720) 0.856 6.711 ( 7.572 -1.974 4.079) 8.824 6.910 ( 0.172 4.613 5.159) 6.922 7.014 ( 6.349 3.504 4.233) 8.397 7.121 ( 0.454 6.120 0.180) 6.139 7.475 ( 7.984 3.208 -14.445) 16.814 7.823 ( -10.490 1.294 3.930) 11.276 8.182 ( -4.328 10.531 -1.037) 11.432 8.302 ( 4.111 9.992 -7.574) 13.195 8.515 ( 9.136 2.240 -3.589) 10.068 8.752 ( 0.597 -11.777 5.130) 12.860 8.912 ( 5.198 -14.033 -6.339) 16.252 10.206 ( -3.854 0.595 4.035) 5.611 10.418 ( 2.692 1.193 0.105) 2.946 12.046 ( -1.777 0.223 1.150) 2.128 12.105 ( 1.001 -2.157 1.707) 2.927 13.748 ( -7.216 4.373 7.567) 11.334 13.992 ( 2.035 2.811 -2.110) 4.061 14.706 ( -4.779 0.688 1.283) 4.996 14.763 ( -4.813 0.642 -6.631) 8.219 ======================= Grid point 418 (209/251) ======================= q-point: ( 0.30 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( 1.093 -0.565 -1.200) 1.719 1.725 ( 6.637 4.237 8.626) 11.679 1.858 ( 3.347 -4.429 -8.164) 9.873 1.954 ( 4.093 2.285 -7.274) 8.654 2.478 ( -8.435 9.583 8.719) 15.460 2.551 ( -8.562 2.579 6.337) 10.959 2.657 ( -7.107 11.841 -7.362) 15.650 3.085 ( -5.588 -3.664 -2.215) 7.040 3.323 ( 4.947 3.415 0.650) 6.047 3.384 ( 1.520 9.068 -6.943) 11.521 3.787 ( 1.346 -0.054 4.592) 4.786 3.891 ( 1.287 1.184 -4.145) 4.499 3.957 ( -7.089 0.920 6.235) 9.485 4.023 ( 4.706 2.180 -1.763) 5.478 4.193 ( -2.445 -4.105 0.246) 4.784 4.420 ( -0.460 -7.986 -8.220) 11.470 4.523 ( -0.166 -10.894 2.952) 11.288 4.718 ( -4.235 -3.665 -7.101) 9.044 5.332 ( -1.544 2.812 6.947) 7.652 5.367 ( 3.824 -7.169 1.093) 8.198 5.875 ( 0.756 21.022 10.949) 23.714 6.106 ( 3.156 4.969 2.233) 6.296 6.424 ( 4.389 2.560 0.119) 5.082 6.727 ( 5.621 9.621 9.413) 14.587 6.843 ( 2.521 1.866 5.064) 5.957 6.998 ( 2.252 6.223 -4.234) 7.856 7.082 ( 6.749 -2.878 -2.598) 7.784 7.495 ( 6.994 -2.013 -10.552) 12.819 7.728 ( -8.419 1.473 3.202) 9.127 7.911 ( -2.597 12.763 -0.532) 13.035 8.229 ( 0.729 0.443 -6.206) 6.265 8.507 ( 4.673 4.199 -4.451) 7.699 8.971 ( 1.396 -7.764 6.596) 10.283 9.168 ( 7.907 -10.565 -8.125) 15.497 10.169 ( -4.363 -0.693 1.056) 4.542 10.392 ( 0.407 3.580 2.616) 4.452 12.037 ( -2.684 -0.464 7.003) 7.514 12.173 ( 2.101 -4.243 -2.753) 5.477 13.600 ( -7.892 7.151 10.543) 14.986 13.918 ( 0.416 5.760 -6.030) 8.349 14.662 ( -2.931 0.489 -3.877) 4.885 14.716 ( -2.934 0.262 -0.259) 2.957 ======================= Grid point 419 (210/251) ======================= q-point: ( 0.40 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.326 ( 3.894 -1.983 -0.422) 4.390 1.652 ( 3.990 7.597 6.794) 10.945 1.947 ( 4.638 0.839 -3.804) 6.057 1.973 ( 3.292 -3.012 -7.924) 9.094 2.245 ( -6.671 11.436 4.975) 14.144 2.365 ( -3.054 10.818 -0.694) 11.262 2.496 ( -8.481 -1.022 -0.201) 8.544 3.107 ( -2.977 -3.112 -5.837) 7.254 3.245 ( -1.405 5.292 -3.961) 6.758 3.280 ( 1.648 4.527 -0.826) 4.888 3.738 ( -4.027 2.285 3.457) 5.778 3.850 ( 3.159 5.144 -3.063) 6.769 3.933 ( -5.388 -0.983 13.318) 14.400 4.052 ( 3.570 -1.875 -5.666) 6.954 4.238 ( 0.147 -2.092 -0.993) 2.321 4.501 ( -0.992 -1.579 -4.780) 5.131 4.726 ( -2.588 -9.457 4.870) 10.947 4.779 ( -2.499 -8.913 -7.073) 11.649 5.181 ( -2.346 13.102 5.333) 14.339 5.359 ( 1.723 14.129 6.685) 15.726 5.649 ( 3.963 0.488 5.701) 6.960 6.044 ( 5.005 6.325 -3.557) 8.815 6.404 ( 6.870 5.170 2.836) 9.053 6.601 ( -0.097 7.522 9.975) 12.494 6.827 ( 0.500 1.957 -7.914) 8.167 6.974 ( 7.380 -0.632 -0.425) 7.419 7.154 ( 3.059 -0.315 -1.432) 3.392 7.536 ( -4.582 0.762 -7.654) 8.954 7.680 ( -4.183 -1.025 1.753) 4.650 7.775 ( 9.704 3.068 3.852) 10.882 8.278 ( 0.499 -5.924 -4.685) 7.569 8.423 ( -1.099 4.715 -5.293) 7.173 9.017 ( -1.208 2.315 1.885) 3.221 9.355 ( 6.932 -3.270 -4.085) 8.685 10.200 ( -1.857 -5.003 0.696) 5.382 10.325 ( -1.485 2.682 2.774) 4.134 12.047 ( -3.660 -1.444 11.413) 12.072 12.266 ( 2.776 -4.596 -6.195) 8.198 13.426 ( -7.680 7.275 12.114) 16.083 13.786 ( -0.368 6.971 -9.101) 11.470 14.631 ( -0.051 0.565 -7.152) 7.174 14.709 ( -0.944 -0.648 4.217) 4.369 ======================= Grid point 420 (211/251) ======================= q-point: ( 0.50 0.10 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( 4.265 -0.615 3.191) 5.362 1.598 ( 4.206 1.177 0.424) 4.388 1.930 ( -0.082 7.600 -6.840) 10.225 1.977 ( 2.252 -1.365 -1.230) 2.906 2.034 ( -3.439 6.195 1.259) 7.197 2.181 ( -3.061 8.168 -1.598) 8.867 2.520 ( 0.825 -4.688 0.078) 4.761 3.112 ( -1.347 0.788 -5.589) 5.803 3.173 ( -2.267 -0.247 -1.926) 2.985 3.211 ( -2.278 2.104 1.739) 3.555 3.667 ( -7.000 2.968 8.231) 11.205 3.821 ( 6.767 -0.183 -7.389) 10.021 3.936 ( -3.730 -0.326 12.500) 13.048 4.076 ( 0.994 -0.320 -7.831) 7.900 4.244 ( 0.323 1.931 -0.648) 2.062 4.453 ( -3.191 2.778 -3.165) 5.284 4.768 ( -3.146 2.875 0.282) 4.271 4.918 ( 1.110 -4.135 0.499) 4.310 4.961 ( 2.234 4.166 1.216) 4.881 5.258 ( -1.083 -1.148 9.181) 9.315 5.725 ( 4.932 -0.728 2.162) 5.434 5.940 ( 5.365 7.943 -10.138) 13.952 6.358 ( 2.071 5.491 4.030) 7.119 6.510 ( -0.574 2.247 4.161) 4.763 6.779 ( -4.335 0.802 -4.545) 6.332 7.046 ( 5.477 1.596 0.063) 5.705 7.179 ( 6.418 -1.418 0.599) 6.600 7.434 ( -4.044 2.473 -6.098) 7.724 7.663 ( -3.159 -0.842 -0.002) 3.269 7.905 ( 12.446 -2.852 3.181) 13.158 8.210 ( -6.669 6.940 -4.444) 10.601 8.504 ( 0.136 -10.599 -1.664) 10.730 8.956 ( -1.002 1.917 1.672) 2.734 9.328 ( 0.828 8.494 -1.108) 8.606 10.272 ( -0.533 -3.079 1.686) 3.551 10.326 ( 0.169 -2.471 0.212) 2.486 12.068 ( -4.060 -1.529 13.636) 14.309 12.343 ( 2.389 -3.003 -8.092) 8.956 13.300 ( -5.113 2.625 10.829) 12.259 13.654 ( 0.002 5.376 -9.088) 10.559 14.613 ( 1.733 1.064 -5.296) 5.674 14.729 ( -0.216 -1.205 2.251) 2.562 ======================= Grid point 421 (212/251) ======================= q-point: (-0.40 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( 3.335 -2.664 -2.312) 4.855 1.648 ( -1.849 2.106 -0.107) 2.804 1.733 ( 3.027 7.472 -4.901) 9.434 1.971 ( -5.284 3.137 2.443) 6.612 2.006 ( 0.465 -3.901 -0.018) 3.929 2.106 ( 2.248 -3.904 -3.620) 5.779 2.626 ( 7.261 -2.819 0.221) 7.792 3.059 ( -2.808 2.244 -0.618) 3.647 3.129 ( -3.289 1.530 4.364) 5.675 3.241 ( -0.018 -4.397 -2.301) 4.963 3.578 ( -4.848 2.454 7.653) 9.386 3.888 ( 0.846 -1.101 -3.208) 3.496 3.946 ( 2.503 -1.829 4.441) 5.416 4.091 ( 0.312 -3.821 -10.226) 10.921 4.209 ( 0.250 0.476 1.300) 1.407 4.390 ( -4.272 0.006 -0.977) 4.382 4.749 ( 2.827 -3.896 -4.370) 6.501 4.892 ( -0.825 2.333 5.916) 6.413 5.020 ( 3.285 -0.499 -4.327) 5.455 5.333 ( -4.257 -5.741 8.360) 10.999 5.683 ( 1.034 6.854 -5.840) 9.063 5.864 ( 7.121 4.997 -3.109) 9.238 6.264 ( -6.165 1.366 -1.768) 6.558 6.528 ( -2.955 -2.047 -1.573) 3.924 6.720 ( -0.233 2.097 2.270) 3.099 7.012 ( 0.648 3.083 2.210) 3.848 7.301 ( 11.713 -2.022 0.508) 11.897 7.382 ( -0.760 0.499 -2.055) 2.247 7.689 ( -1.215 -4.706 -5.028) 6.993 7.893 ( -3.057 10.043 -1.638) 10.625 8.161 ( 4.048 -4.182 3.256) 6.670 8.584 ( -3.131 2.303 1.159) 4.056 8.968 ( 0.332 -1.146 3.585) 3.778 9.180 ( -2.706 2.607 0.136) 3.760 10.304 ( -0.234 -0.211 1.524) 1.557 10.356 ( 0.310 -0.300 -1.602) 1.659 12.076 ( -3.862 0.181 14.343) 14.855 12.375 ( 1.483 -0.651 -9.186) 9.328 13.319 ( -0.716 -5.566 7.279) 9.192 13.578 ( 0.281 1.513 -5.911) 6.108 14.599 ( 2.270 1.423 -2.612) 3.741 14.752 ( -0.385 -1.522 -1.628) 2.262 ======================= Grid point 422 (213/251) ======================= q-point: (-0.30 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( -3.470 9.875 0.827) 10.499 1.543 ( 1.077 -7.151 -10.173) 12.482 1.767 ( 2.921 -0.668 0.678) 3.072 1.864 ( -6.448 3.385 4.420) 8.519 2.159 ( 3.027 -10.639 1.507) 11.163 2.265 ( 2.574 -11.271 -3.907) 12.203 2.733 ( 11.240 -1.499 0.958) 11.380 2.990 ( -5.297 1.860 3.649) 6.695 3.122 ( 0.416 -1.050 5.027) 5.153 3.308 ( -0.260 -3.181 -2.449) 4.023 3.560 ( -1.480 -2.017 6.695) 7.147 3.845 ( -5.247 1.731 0.358) 5.537 4.023 ( 3.452 -1.628 -1.971) 4.296 4.158 ( 1.906 -2.931 -10.324) 10.900 4.251 ( 3.095 -2.523 1.863) 4.406 4.384 ( -4.655 -2.970 3.283) 6.424 4.797 ( -2.581 5.039 4.793) 7.418 4.997 ( 3.871 -10.452 -4.335) 11.959 5.016 ( 2.185 -5.403 -5.849) 8.257 5.329 ( -5.216 1.745 -9.516) 10.991 5.639 ( -0.748 -3.987 6.080) 7.309 5.813 ( 5.981 6.058 0.949) 8.566 6.245 ( -4.360 -3.985 -3.908) 7.083 6.477 ( -11.803 -0.806 -1.467) 11.921 6.710 ( 3.609 2.864 2.349) 5.171 6.976 ( -0.692 0.766 -3.286) 3.445 7.363 ( 8.289 3.168 -1.605) 9.018 7.452 ( 5.687 -4.784 6.773) 10.055 7.632 ( -7.850 10.266 -2.651) 13.192 7.799 ( 0.222 -5.989 -6.352) 8.733 8.262 ( 4.022 -1.031 3.867) 5.674 8.435 ( -2.321 8.560 3.775) 9.639 8.993 ( 1.147 -1.274 5.353) 5.621 9.190 ( -4.018 -2.756 -0.879) 4.951 10.283 ( -0.051 2.221 1.040) 2.453 10.351 ( -0.128 -0.055 -1.992) 1.997 12.052 ( -3.064 2.150 13.730) 14.231 12.357 ( 0.452 1.531 -10.368) 10.490 13.490 ( 2.019 -10.765 3.992) 11.657 13.587 ( 0.238 -2.996 -1.728) 3.467 14.595 ( 2.430 0.561 0.210) 2.503 14.771 ( -0.611 -1.823 -5.010) 5.367 ======================= Grid point 423 (214/251) ======================= q-point: (-0.20 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( 1.562 2.095 7.501) 7.943 1.566 ( -8.621 2.381 -1.158) 9.018 1.792 ( 2.329 -3.137 -1.660) 4.246 1.828 ( 1.392 -0.542 -2.344) 2.779 2.395 ( 1.006 -12.796 4.838) 13.717 2.497 ( 1.779 -12.564 -4.025) 13.312 2.863 ( 12.894 -2.314 -1.237) 13.159 2.936 ( -5.847 -0.103 4.791) 7.560 3.187 ( 2.005 -3.828 6.194) 7.552 3.339 ( -0.963 -1.347 -1.126) 2.002 3.632 ( -0.062 -4.709 3.857) 6.088 3.776 ( -4.771 0.867 -2.495) 5.454 4.026 ( -0.566 2.120 0.929) 2.383 4.163 ( 1.162 1.308 -8.380) 8.561 4.328 ( 6.998 -1.251 0.776) 7.152 4.411 ( -4.227 -1.880 4.142) 6.209 4.666 ( -2.429 7.292 6.367) 9.981 4.893 ( -0.182 9.766 -10.686) 14.478 5.324 ( 2.689 -5.717 -0.086) 6.319 5.342 ( -4.040 -11.853 -0.302) 12.527 5.757 ( 4.797 0.101 -0.001) 4.798 5.808 ( -3.476 -12.585 -1.083) 13.101 6.285 ( -0.754 -2.585 -0.622) 2.763 6.438 ( -10.952 -7.155 -4.050) 13.695 6.702 ( 0.852 -0.780 7.512) 7.601 6.962 ( -1.053 -0.793 -10.753) 10.833 7.317 ( 8.062 7.704 -3.201) 11.601 7.378 ( -6.475 10.649 0.863) 12.493 7.643 ( 4.711 -9.843 8.700) 13.956 7.901 ( -1.897 -7.469 -7.857) 11.005 8.256 ( 5.778 4.619 4.164) 8.489 8.354 ( -2.094 1.004 2.423) 3.356 9.005 ( -2.301 2.640 7.417) 8.202 9.168 ( 0.148 2.384 -6.498) 6.923 10.259 ( 1.781 0.840 2.326) 3.047 10.352 ( -2.194 -1.091 -1.564) 2.907 12.015 ( -1.501 2.194 12.104) 12.393 12.294 ( -0.595 3.166 -10.706) 11.180 13.661 ( -2.997 -6.642 4.867) 8.763 13.708 ( 4.311 -8.999 -2.246) 10.227 14.630 ( 2.698 -2.066 2.769) 4.383 14.791 ( -0.467 -2.060 -6.469) 6.805 ======================= Grid point 424 (215/251) ======================= q-point: (-0.10 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.384 ( 7.028 0.568 9.515) 11.843 1.422 ( -7.832 2.618 6.643) 10.598 1.826 ( 0.931 -0.260 -1.893) 2.125 1.902 ( 2.848 -4.702 -7.301) 9.139 2.617 ( -1.872 -10.210 5.490) 11.743 2.669 ( -1.894 -6.736 2.762) 7.523 2.927 ( -6.763 -3.667 1.304) 7.803 3.010 ( 13.554 -3.177 -4.171) 14.533 3.294 ( -2.371 -5.468 3.825) 7.081 3.342 ( 0.776 -0.743 2.328) 2.564 3.711 ( -0.685 -3.796 -1.141) 4.022 3.757 ( 1.616 -1.867 -4.976) 5.555 3.973 ( -0.468 3.313 5.164) 6.153 4.116 ( -0.380 2.766 -6.778) 7.330 4.363 ( -2.476 1.982 3.127) 4.454 4.404 ( 4.571 1.497 -1.842) 5.150 4.548 ( -4.930 4.221 5.639) 8.598 4.702 ( 3.132 8.360 -10.105) 13.484 5.284 ( 1.121 8.806 9.659) 13.119 5.436 ( -1.613 3.470 -4.835) 6.166 5.851 ( -5.203 -14.481 10.721) 18.754 6.044 ( 0.471 -10.242 -7.619) 12.774 6.363 ( 2.173 -5.004 7.437) 9.223 6.539 ( -4.415 -10.445 -9.711) 14.930 6.781 ( -1.866 -4.831 7.416) 9.046 6.927 ( -0.567 0.564 -6.779) 6.826 7.181 ( -4.991 5.393 2.397) 7.729 7.297 ( 9.059 -0.125 -8.328) 12.306 7.873 ( 0.333 -10.430 7.696) 12.966 8.022 ( -0.622 -9.939 -6.596) 11.945 8.243 ( 3.956 3.236 5.280) 7.348 8.329 ( 0.236 -0.266 -3.001) 3.022 8.893 ( -1.616 8.540 7.139) 11.247 9.073 ( 1.813 7.972 -10.879) 13.609 10.285 ( 0.962 -0.303 4.217) 4.336 10.344 ( -2.241 -1.050 -1.320) 2.805 12.005 ( 0.270 0.604 9.934) 9.956 12.206 ( -1.495 3.495 -9.339) 10.083 13.762 ( -4.348 -6.638 5.544) 9.680 13.861 ( 3.270 -5.379 -2.950) 6.952 14.707 ( 1.285 -3.412 3.526) 5.072 14.815 ( -0.123 -2.270 -6.375) 6.768 ======================= Grid point 427 (216/251) ======================= q-point: ( 0.20 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( 1.587 0.000 0.787) 1.772 1.621 ( 7.612 0.000 -11.419) 13.723 1.923 ( -0.352 -0.000 4.675) 4.688 2.002 ( 3.461 0.000 -9.254) 9.880 2.562 ( -12.645 -0.000 7.578) 14.742 2.742 ( 0.846 0.000 0.920) 1.250 2.835 ( -9.892 -0.000 7.854) 12.631 3.073 ( -8.277 -0.000 0.937) 8.329 3.393 ( 7.514 0.000 -4.197) 8.606 3.713 ( 0.527 0.000 -1.570) 1.656 3.775 ( 0.979 0.000 -2.055) 2.276 3.828 ( -10.207 -0.000 -1.095) 10.265 3.879 ( 4.388 0.000 -2.703) 5.153 4.011 ( 2.492 0.000 9.352) 9.678 4.127 ( 1.511 0.000 -7.908) 8.051 4.288 ( -1.718 -0.000 -9.132) 9.292 4.354 ( -1.326 -0.000 0.802) 1.550 4.636 ( -8.129 -0.000 -14.779) 16.867 5.171 ( 7.420 0.000 5.262) 9.096 5.315 ( 5.101 0.000 13.495) 14.427 6.139 ( -0.368 -0.000 4.437) 4.452 6.328 ( 2.998 0.000 5.368) 6.148 6.449 ( 3.784 0.000 -0.383) 3.803 6.740 ( 5.751 0.000 8.492) 10.256 6.948 ( 3.276 0.000 -5.610) 6.497 7.077 ( -3.668 -0.000 12.691) 13.210 7.256 ( 10.936 0.000 5.665) 12.316 7.539 ( 6.678 0.000 -17.590) 18.815 7.762 ( -9.130 -0.000 2.771) 9.541 8.278 ( 0.400 0.000 -0.963) 1.043 8.505 ( 4.346 0.000 -6.503) 7.822 8.565 ( -1.361 -0.000 -6.196) 6.343 8.668 ( 11.069 0.000 -11.314) 15.828 8.702 ( -1.723 -0.000 11.706) 11.832 10.210 ( -1.032 -0.000 5.604) 5.698 10.450 ( 3.194 0.000 -0.944) 3.331 12.027 ( -0.929 -0.000 -4.688) 4.779 12.103 ( -0.562 -0.000 8.370) 8.388 13.748 ( -7.056 -0.000 8.810) 11.287 14.026 ( 0.648 0.000 -1.423) 1.564 14.671 ( -5.665 -0.000 0.692) 5.707 14.706 ( -6.249 -0.000 -7.851) 10.034 ======================= Grid point 428 (217/251) ======================= q-point: ( 0.30 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( 4.576 0.538 -2.306) 5.152 1.721 ( 7.552 -6.095 -9.627) 13.670 1.886 ( -2.042 3.443 4.124) 5.747 2.002 ( 3.495 1.190 -7.575) 8.427 2.465 ( -12.519 0.518 5.335) 13.618 2.638 ( -4.949 8.796 9.288) 13.716 2.784 ( -4.577 5.863 -3.720) 8.316 2.980 ( -7.992 -1.057 1.349) 8.174 3.413 ( 3.529 2.867 0.369) 4.562 3.571 ( -0.442 11.090 -7.722) 13.521 3.756 ( -1.986 -4.131 4.678) 6.550 3.851 ( 1.945 -3.261 -0.719) 3.864 3.935 ( -7.531 1.920 1.514) 7.918 4.084 ( -0.621 -4.930 6.897) 8.500 4.154 ( 9.660 1.278 -8.081) 12.659 4.261 ( -1.059 -4.415 -10.965) 11.868 4.377 ( -2.192 -4.552 -0.277) 5.060 4.579 ( -8.820 -4.212 -12.951) 16.226 5.299 ( 8.149 -5.094 6.322) 11.503 5.383 ( 3.870 -0.060 10.089) 10.806 6.112 ( -0.374 4.465 2.852) 5.312 6.263 ( 0.593 8.673 8.533) 12.181 6.485 ( 6.426 0.619 -0.968) 6.527 6.832 ( 4.981 -2.304 6.941) 8.848 6.899 ( -3.683 5.208 6.411) 9.044 7.113 ( 6.670 -2.328 1.660) 7.257 7.248 ( 12.044 11.654 5.099) 17.518 7.527 ( 5.540 2.017 -17.154) 18.139 7.692 ( -7.750 1.049 2.814) 8.312 8.121 ( -2.132 13.403 -0.084) 13.572 8.323 ( 1.901 10.103 -7.244) 12.576 8.590 ( 2.561 1.971 -6.977) 7.689 8.804 ( 2.913 -12.719 6.896) 14.759 8.972 ( 5.020 -15.776 -6.032) 17.620 10.178 ( -1.110 3.550 3.146) 4.872 10.455 ( 1.663 2.172 0.749) 2.836 12.020 ( -1.114 -0.409 -0.435) 1.264 12.126 ( -0.503 -2.094 5.133) 5.566 13.669 ( -7.166 4.555 11.440) 14.247 13.990 ( -0.826 3.493 -4.167) 5.500 14.630 ( -4.129 -0.192 -3.514) 5.425 14.665 ( -4.935 -1.769 -3.190) 6.137 ======================= Grid point 429 (218/251) ======================= q-point: ( 0.40 0.20 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.347 ( 7.613 -0.352 -3.551) 8.408 1.791 ( -2.529 4.746 6.345) 8.317 1.892 ( 5.155 -6.973 -9.816) 13.098 1.993 ( 3.274 1.602 -4.381) 5.698 2.390 ( -8.877 -0.670 4.718) 10.075 2.431 ( -5.902 11.414 9.224) 15.817 2.549 ( -4.024 11.701 -4.077) 13.028 2.999 ( -4.243 -4.196 -3.581) 6.960 3.315 ( -4.667 6.536 4.544) 9.228 3.424 ( 5.543 7.802 -12.680) 15.887 3.759 ( -4.726 3.094 2.096) 6.024 3.861 ( -5.720 -2.103 9.350) 11.161 3.912 ( -0.165 -1.338 -0.672) 1.506 4.092 ( 1.999 2.999 -1.762) 4.012 4.190 ( 2.789 -2.983 -1.007) 4.206 4.384 ( -0.079 -7.704 -9.984) 12.611 4.532 ( 0.618 -12.158 1.030) 12.217 4.589 ( -6.844 -6.324 -7.264) 11.816 5.345 ( 0.550 6.674 6.724) 9.490 5.481 ( 8.203 -3.729 3.843) 9.796 5.920 ( 0.332 17.598 8.090) 19.372 6.158 ( 0.794 4.274 6.233) 7.599 6.518 ( 6.569 1.897 1.766) 7.061 6.730 ( -5.550 8.132 5.851) 11.453 6.902 ( 3.318 3.187 0.371) 4.616 7.121 ( 13.494 9.381 0.233) 16.436 7.222 ( 9.417 0.131 0.402) 9.426 7.498 ( -1.174 1.648 -12.318) 12.483 7.631 ( -5.447 -0.424 3.251) 6.358 7.925 ( 3.896 6.756 4.145) 8.832 8.215 ( 0.215 1.442 -7.816) 7.951 8.507 ( -2.237 6.141 -8.187) 10.476 9.022 ( 2.835 -5.287 5.632) 8.229 9.257 ( 6.246 -11.985 -6.625) 15.052 10.125 ( -1.549 -0.215 1.205) 1.974 10.388 ( -2.144 5.065 1.835) 5.798 12.020 ( -2.632 -0.614 7.500) 7.972 12.193 ( 1.238 -4.457 -2.236) 5.137 13.527 ( -7.008 7.406 14.057) 17.366 13.880 ( -1.448 6.199 -8.548) 10.658 14.613 ( -0.438 -1.056 -6.785) 6.880 14.674 ( -3.099 -2.480 2.305) 4.590 ======================= Grid point 430 (219/251) ======================= q-point: ( 0.50 0.20 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.422 ( 8.339 -1.261 -1.734) 8.610 1.696 ( -1.320 4.436 3.540) 5.827 1.960 ( -1.444 1.516 0.309) 2.116 2.001 ( 3.993 -0.922 -8.563) 9.493 2.185 ( -2.898 12.310 3.489) 13.119 2.297 ( -7.475 6.606 2.398) 10.260 2.452 ( 4.532 -2.490 0.169) 5.174 3.022 ( -5.480 -3.551 -5.737) 8.692 3.195 ( -4.015 3.371 1.732) 5.521 3.280 ( 0.497 7.774 -8.640) 11.633 3.683 ( -4.258 2.167 6.821) 8.328 3.860 ( -0.255 1.724 -3.231) 3.671 3.907 ( -3.570 -1.404 10.386) 11.072 4.076 ( 0.800 0.194 -4.573) 4.647 4.258 ( 3.235 -1.169 -2.710) 4.379 4.431 ( -4.967 -1.044 -5.798) 7.705 4.678 ( -3.921 -8.503 3.852) 10.125 4.762 ( 2.550 -11.108 -5.654) 12.723 5.192 ( 1.612 11.579 6.541) 13.396 5.421 ( 1.498 15.399 8.173) 17.498 5.776 ( 8.894 0.956 5.732) 10.624 6.099 ( 3.175 5.746 -1.693) 6.779 6.482 ( -2.203 7.190 5.714) 9.445 6.566 ( -2.614 4.973 -0.986) 5.705 6.813 ( 2.957 6.112 -3.466) 7.623 7.153 ( 13.157 1.811 0.301) 13.285 7.250 ( 7.129 2.577 1.657) 7.759 7.407 ( -5.376 1.898 -8.616) 10.332 7.618 ( -4.777 -0.879 2.022) 5.261 7.969 ( 11.488 -2.151 4.220) 12.426 8.221 ( -7.777 -0.281 -7.286) 10.660 8.359 ( -2.431 -0.082 -6.348) 6.798 9.043 ( 3.840 4.912 3.201) 7.009 9.410 ( 1.400 -0.725 -3.884) 4.192 10.186 ( -0.384 -5.899 1.374) 6.069 10.300 ( -2.561 1.039 1.272) 3.042 12.032 ( -3.557 -1.459 12.312) 12.898 12.278 ( 1.825 -4.397 -7.450) 8.841 13.370 ( -5.707 6.886 15.076) 17.529 13.737 ( -0.865 6.460 -11.371) 13.106 14.627 ( 2.509 -0.535 -6.008) 6.532 14.701 ( -2.031 -2.009 3.173) 4.269 ======================= Grid point 431 (220/251) ======================= q-point: ( 0.60 0.20 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.487 ( 5.824 1.337 2.502) 6.478 1.655 ( 2.921 0.497 -2.219) 3.702 1.875 ( -3.774 5.486 1.356) 6.795 1.988 ( 0.794 4.476 -6.821) 8.197 2.028 ( 0.658 3.464 1.270) 3.747 2.115 ( -4.092 6.238 -0.245) 7.464 2.597 ( 8.397 -6.305 0.047) 10.501 3.005 ( -10.094 -1.954 -3.687) 10.922 3.137 ( -2.177 1.036 2.098) 3.195 3.191 ( 0.596 0.364 -4.470) 4.524 3.617 ( -3.421 3.414 9.246) 10.433 3.842 ( -0.820 -1.256 -6.007) 6.191 3.936 ( -1.016 -1.801 8.528) 8.775 4.066 ( 0.839 0.375 -5.603) 5.678 4.250 ( 1.717 3.178 -2.295) 4.280 4.358 ( -6.457 1.845 -3.324) 7.493 4.753 ( 1.159 -1.022 1.316) 2.030 4.925 ( -0.109 -4.499 -3.518) 5.712 5.053 ( 7.159 5.810 6.384) 11.215 5.274 ( -1.622 2.228 9.690) 10.074 5.822 ( 5.871 5.207 -0.536) 7.866 6.012 ( 8.269 5.989 -6.967) 12.361 6.288 ( -8.707 7.486 1.050) 11.530 6.486 ( -6.066 1.938 -3.195) 7.124 6.776 ( 6.728 1.865 2.937) 7.574 7.127 ( 1.584 7.480 1.293) 7.755 7.313 ( 2.941 -4.115 -0.151) 5.061 7.395 ( 9.476 -0.087 -4.194) 10.363 7.601 ( -3.859 -2.187 -2.042) 4.883 7.999 ( -12.711 7.712 -4.624) 15.570 8.145 ( 10.607 -4.576 3.660) 12.118 8.483 ( -2.473 -9.046 -2.052) 9.599 8.990 ( 4.092 3.735 3.692) 6.658 9.285 ( -5.439 9.596 -1.833) 11.182 10.276 ( 0.063 -3.445 2.024) 3.996 10.328 ( 0.185 -3.026 -0.794) 3.134 12.058 ( -3.551 -1.646 14.325) 14.850 12.340 ( 1.428 -2.694 -9.680) 10.149 13.284 ( -2.565 1.146 13.170) 13.466 13.612 ( -0.509 4.338 -10.993) 11.829 14.640 ( 3.515 0.901 -3.514) 5.051 14.720 ( -1.709 -1.364 0.541) 2.252 ======================= Grid point 432 (221/251) ======================= q-point: (-0.30 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( 2.622 2.072 0.180) 3.347 1.598 ( -1.535 8.678 -5.404) 10.338 1.800 ( 5.732 0.387 -1.840) 6.033 1.871 ( -6.681 3.766 1.017) 7.736 2.037 ( 2.226 -5.112 1.545) 5.786 2.116 ( 0.499 -5.245 -4.020) 6.627 2.767 ( 9.413 -4.312 1.149) 10.417 2.942 ( -10.196 -1.064 -0.209) 10.254 3.126 ( 0.130 -0.011 3.629) 3.631 3.230 ( -0.012 -3.922 -3.459) 5.230 3.569 ( -0.600 1.487 9.881) 10.010 3.825 ( -5.160 0.621 -2.892) 5.947 3.999 ( 1.911 -3.697 -1.377) 4.384 4.078 ( 1.761 -2.579 -6.760) 7.447 4.225 ( 1.443 -0.782 0.943) 1.893 4.300 ( -5.125 -1.588 -1.541) 5.583 4.806 ( 5.528 -2.513 0.044) 6.072 4.926 ( -0.753 0.346 3.434) 3.533 5.050 ( 3.684 3.986 -0.328) 5.437 5.280 ( -4.949 -1.663 1.290) 5.378 5.702 ( 3.558 7.693 -0.239) 8.479 5.954 ( 2.873 5.743 -8.228) 10.438 6.187 ( 0.327 0.043 2.365) 2.388 6.387 ( -10.491 0.701 -2.964) 10.924 6.823 ( 9.488 2.831 2.140) 10.130 6.999 ( -4.494 4.465 0.336) 6.344 7.389 ( 2.335 -2.404 2.165) 3.990 7.490 ( 9.979 -1.380 -1.331) 10.161 7.641 ( -0.473 -3.271 -5.613) 6.514 7.766 ( -11.126 6.004 -2.009) 12.802 8.301 ( 10.168 -1.743 5.067) 11.494 8.509 ( -6.668 2.127 -0.324) 7.006 9.002 ( 2.162 -0.402 4.310) 4.839 9.119 ( -4.484 1.272 -0.750) 4.721 10.307 ( -0.231 0.242 1.852) 1.882 10.355 ( 0.384 0.074 -2.004) 2.042 12.075 ( -3.134 0.064 15.110) 15.432 12.357 ( 0.915 -0.207 -10.091) 10.135 13.350 ( 0.590 -6.743 8.859) 11.149 13.548 ( -0.671 0.078 -7.601) 7.631 14.638 ( 3.225 1.653 -0.874) 3.728 14.726 ( -1.785 -1.296 -3.207) 3.893 ======================= Grid point 433 (222/251) ======================= q-point: (-0.20 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( -4.553 4.524 5.035) 8.158 1.531 ( 1.471 0.912 -9.167) 9.329 1.788 ( -2.844 0.722 3.187) 4.332 1.851 ( 6.547 0.351 -3.074) 7.241 2.203 ( 1.192 -9.983 2.335) 10.321 2.265 ( -0.430 -12.290 -4.626) 13.139 2.856 ( -7.560 -2.336 4.306) 9.008 2.935 ( 8.783 -1.247 -2.590) 9.241 3.157 ( 1.121 -1.983 6.492) 6.880 3.287 ( -0.983 -3.374 -4.083) 5.387 3.600 ( 2.848 -1.804 9.403) 9.989 3.749 ( -5.381 1.466 -3.129) 6.395 4.039 ( -0.331 -0.250 -1.872) 1.917 4.135 ( -0.283 -2.686 -8.588) 9.003 4.296 ( -3.392 -5.920 4.111) 7.966 4.343 ( 3.637 -3.579 0.191) 5.106 4.817 ( 1.412 7.229 9.086) 11.696 4.960 ( -4.284 -2.905 -4.566) 6.902 5.080 ( 4.149 -7.084 -0.799) 8.248 5.213 ( -2.654 -1.236 -12.546) 12.883 5.694 ( 3.199 -1.738 8.524) 9.269 5.865 ( 0.517 4.349 -5.580) 7.093 6.228 ( -0.216 -3.434 3.676) 5.035 6.306 ( -4.313 0.633 -3.918) 5.861 6.780 ( 1.478 5.635 5.753) 8.188 6.939 ( 1.004 0.747 -8.919) 9.007 7.449 ( 2.472 1.707 3.652) 4.729 7.498 ( -5.827 4.804 -1.757) 7.754 7.610 ( 8.093 1.032 3.317) 8.807 7.731 ( -4.709 -6.319 -7.417) 10.822 8.354 ( 0.063 1.943 4.364) 4.777 8.397 ( 1.559 4.667 -0.083) 4.921 9.037 ( 1.400 -0.248 6.424) 6.579 9.139 ( -0.915 -3.781 -3.610) 5.308 10.288 ( -0.064 1.318 2.121) 2.498 10.336 ( -0.718 1.078 -2.072) 2.443 12.062 ( -2.356 1.762 14.569) 14.863 12.326 ( 0.682 2.277 -10.428) 10.695 13.505 ( -3.481 -7.896 5.795) 10.395 13.597 ( 3.437 -6.774 -4.003) 8.587 14.639 ( 2.498 0.460 1.941) 3.197 14.731 ( -1.873 -1.940 -6.260) 6.816 ======================= Grid point 434 (223/251) ======================= q-point: (-0.10 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.367 ( -3.242 -2.635 8.506) 9.477 1.468 ( -0.342 2.751 1.203) 3.022 1.827 ( 3.563 -3.219 -3.728) 6.079 1.869 ( 5.215 1.576 -5.531) 7.764 2.399 ( -3.044 -12.015 5.124) 13.412 2.482 ( -1.708 -12.531 -3.330) 13.078 2.820 ( -10.053 -1.796 1.739) 10.359 3.044 ( 11.127 -2.542 -5.151) 12.522 3.221 ( -0.743 -2.577 7.236) 7.717 3.317 ( -1.425 -2.166 -2.568) 3.649 3.682 ( 3.590 -1.585 5.250) 6.555 3.722 ( 0.869 -2.454 -3.337) 4.232 4.014 ( -1.775 1.660 2.543) 3.517 4.124 ( -2.653 0.567 -6.621) 7.155 4.330 ( -6.485 -1.310 2.095) 6.940 4.441 ( 6.026 -1.643 0.623) 6.277 4.682 ( 0.616 9.864 8.827) 13.251 4.856 ( 0.761 8.897 -10.972) 14.146 5.267 ( -5.371 -17.044 4.203) 18.358 5.357 ( 0.777 -6.441 -1.005) 6.565 5.715 ( -6.634 2.577 1.523) 7.278 5.868 ( 7.536 -7.083 -3.074) 10.789 6.295 ( -2.827 -5.255 -1.289) 6.105 6.353 ( 5.955 -6.242 2.678) 9.033 6.745 ( 0.688 0.040 7.517) 7.548 6.923 ( 2.026 0.366 -10.410) 10.611 7.276 ( -6.443 9.009 0.616) 11.093 7.427 ( 7.374 6.791 -3.733) 10.697 7.737 ( 1.772 -8.037 7.375) 11.051 7.812 ( -4.657 -8.028 -7.083) 11.675 8.302 ( -2.957 1.948 -0.248) 3.550 8.369 ( 5.404 2.297 0.797) 5.926 9.019 ( 0.205 4.230 7.079) 8.249 9.171 ( 4.109 1.847 -7.946) 9.134 10.286 ( -1.240 0.110 2.146) 2.481 10.310 ( -0.911 -0.594 0.102) 1.092 12.040 ( -1.380 1.494 12.878) 13.038 12.254 ( 0.583 4.056 -10.093) 10.893 13.602 ( -6.643 -7.395 6.425) 11.836 13.769 ( 4.351 -7.831 -3.945) 9.789 14.673 ( 1.039 -1.800 4.053) 4.555 14.745 ( -1.894 -2.787 -7.498) 8.220 ======================= Grid point 438 (224/251) ======================= q-point: ( 0.30 0.30 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.355 ( 7.272 0.000 -3.706) 8.162 1.703 ( 8.143 0.000 -10.938) 13.636 1.891 ( -6.345 -0.000 4.206) 7.613 2.019 ( 1.791 0.000 -6.980) 7.206 2.385 ( -10.917 -0.000 4.795) 11.924 2.713 ( -8.456 -0.000 7.995) 11.637 2.793 ( 4.393 0.000 -1.614) 4.680 2.907 ( -13.234 -0.000 1.576) 13.327 3.468 ( 3.783 0.000 -2.182) 4.367 3.605 ( -11.634 -0.000 3.607) 12.181 3.741 ( -2.044 -0.000 1.280) 2.412 3.824 ( 4.077 0.000 2.002) 4.542 3.944 ( 5.788 0.000 -6.872) 8.985 4.020 ( -4.421 -0.000 7.564) 8.761 4.177 ( 5.851 0.000 -6.179) 8.510 4.246 ( 1.101 0.000 -9.094) 9.160 4.329 ( -1.238 -0.000 -3.928) 4.119 4.415 ( -11.001 -0.000 -17.267) 20.474 5.338 ( 9.466 0.000 7.857) 12.302 5.435 ( 4.717 0.000 11.197) 12.150 6.149 ( -0.531 -0.000 3.789) 3.827 6.339 ( -3.681 -0.000 3.840) 5.320 6.559 ( 10.552 0.000 -2.787) 10.913 6.822 ( -1.054 -0.000 13.147) 13.190 7.036 ( 10.401 0.000 -4.622) 11.382 7.065 ( -2.245 -0.000 11.381) 11.600 7.484 ( 13.354 0.000 10.406) 16.929 7.553 ( 4.178 0.000 -20.905) 21.318 7.648 ( -7.148 -0.000 2.711) 7.645 8.302 ( 4.003 0.000 -2.829) 4.902 8.492 ( -4.615 -0.000 -6.948) 8.341 8.535 ( 1.571 0.000 -4.607) 4.868 8.690 ( -4.257 -0.000 10.457) 11.291 8.797 ( 9.080 0.000 -9.973) 13.487 10.239 ( 2.461 0.000 4.469) 5.102 10.493 ( 2.324 0.000 -0.339) 2.349 12.011 ( 0.888 0.000 -3.634) 3.740 12.105 ( -3.313 -0.000 8.871) 9.469 13.679 ( -6.583 -0.000 12.990) 14.563 14.006 ( -1.837 -0.000 -3.815) 4.234 14.591 ( -4.353 -0.000 -1.001) 4.467 14.592 ( -4.309 -0.000 -7.506) 8.655 ======================= Grid point 439 (225/251) ======================= q-point: ( 0.40 0.30 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( 10.068 0.282 -4.956) 11.225 1.794 ( 1.498 -3.304 -3.097) 4.770 1.822 ( -3.333 0.018 -1.970) 3.872 2.014 ( -0.707 -0.314 -4.136) 4.208 2.319 ( -7.109 0.560 5.173) 8.810 2.596 ( -3.868 7.576 6.909) 10.959 2.688 ( -7.394 8.799 -0.251) 11.496 2.893 ( -2.363 -4.061 -2.441) 5.295 3.421 ( -3.779 7.026 5.946) 9.950 3.528 ( -0.739 1.988 -5.794) 6.170 3.734 ( -1.684 -2.453 3.260) 4.414 3.858 ( -2.641 4.163 1.885) 5.279 3.899 ( 1.973 1.039 -0.438) 2.272 4.057 ( -6.311 -3.144 6.430) 9.542 4.222 ( 4.092 1.363 -8.442) 9.480 4.258 ( 3.501 -4.482 -16.454) 17.409 4.338 ( -1.041 -8.576 0.174) 8.641 4.417 ( -4.320 -6.419 -10.508) 13.049 5.435 ( 5.071 -0.010 8.762) 10.123 5.501 ( 7.546 -1.628 6.053) 9.810 6.109 ( -1.259 4.890 2.649) 5.702 6.251 ( -5.161 5.761 5.425) 9.447 6.611 ( 8.887 2.136 0.722) 9.168 6.879 ( -1.573 2.452 6.691) 7.297 6.916 ( 2.437 3.717 8.404) 9.507 7.238 ( 7.619 -5.439 -0.225) 9.364 7.435 ( 7.771 11.364 -6.567) 15.253 7.556 ( 6.740 3.968 -1.725) 8.009 7.601 ( -4.602 0.600 1.901) 5.015 8.130 ( 2.304 13.728 3.046) 14.249 8.295 ( -2.517 8.996 -7.529) 11.998 8.556 ( -2.700 2.587 -8.805) 9.566 8.867 ( 1.547 -14.332 6.630) 15.867 9.021 ( 4.319 -16.226 -7.691) 18.469 10.203 ( 3.034 6.425 2.634) 7.577 10.465 ( -0.989 4.416 0.362) 4.540 12.013 ( -0.265 0.185 2.552) 2.572 12.122 ( -1.655 -3.339 2.957) 4.757 13.614 ( -5.796 4.636 14.992) 16.729 13.945 ( -1.922 3.903 -6.800) 8.073 14.567 ( -1.196 -1.759 -6.509) 6.848 14.592 ( -3.805 -3.215 -0.550) 5.012 ======================= Grid point 440 (226/251) ======================= q-point: ( 0.50 0.30 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( 11.148 0.080 -4.699) 12.098 1.708 ( -9.440 1.678 4.262) 10.492 1.935 ( 3.607 -4.516 -5.888) 8.251 2.007 ( -0.462 -0.164 -2.833) 2.875 2.265 ( -7.077 0.825 6.044) 9.343 2.398 ( -3.045 11.363 -0.987) 11.805 2.539 ( 2.229 5.096 7.938) 9.693 2.922 ( -3.163 -2.325 -6.883) 7.924 3.258 ( -4.267 7.220 4.854) 9.690 3.431 ( 1.037 8.881 -10.902) 14.100 3.706 ( -3.556 3.276 5.440) 7.278 3.822 ( -3.674 -3.818 10.358) 11.634 3.901 ( 0.285 1.055 -4.235) 4.373 4.050 ( -6.047 -1.672 1.651) 6.487 4.255 ( 4.729 -1.784 -5.278) 7.308 4.334 ( -1.046 -4.745 -9.511) 10.681 4.494 ( -3.140 -9.097 2.415) 9.922 4.565 ( 4.563 -11.824 -8.819) 15.441 5.404 ( 3.428 7.792 7.915) 11.624 5.600 ( 4.357 1.160 1.409) 4.724 5.955 ( 1.855 10.147 6.642) 12.268 6.154 ( -3.705 1.659 4.015) 5.710 6.614 ( 2.614 5.629 6.975) 9.337 6.697 ( 1.331 11.529 0.231) 11.608 6.955 ( 3.523 2.912 -0.317) 4.582 7.238 ( -5.087 2.963 -2.905) 6.565 7.370 ( 13.160 5.537 -2.327) 14.466 7.510 ( 8.890 6.732 0.167) 11.152 7.569 ( -3.539 -0.540 3.573) 5.058 8.023 ( 5.078 1.673 5.369) 7.577 8.155 ( -4.844 2.399 -9.666) 11.075 8.390 ( -7.181 7.663 -9.883) 14.421 9.102 ( 4.457 -6.044 5.119) 9.088 9.302 ( 2.290 -11.738 -6.104) 13.427 10.138 ( 2.718 1.757 1.604) 3.612 10.335 ( -5.134 5.999 0.508) 7.913 12.013 ( -2.475 -0.284 10.212) 10.511 12.196 ( 1.357 -4.760 -5.419) 7.339 13.490 ( -4.610 7.478 16.408) 18.612 13.825 ( -0.836 6.261 -10.561) 12.306 14.605 ( 2.297 -2.837 -6.137) 7.141 14.631 ( -3.505 -3.834 1.950) 5.549 ======================= Grid point 441 (227/251) ======================= q-point: (-0.40 -0.70 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( 7.063 0.445 -0.442) 7.091 1.645 ( -3.849 -0.993 -0.752) 4.045 1.933 ( -3.161 3.097 3.107) 5.407 2.025 ( 2.971 -0.076 -7.553) 8.117 2.173 ( -3.595 6.663 4.632) 8.876 2.196 ( -1.855 8.546 0.105) 8.746 2.574 ( 6.930 -3.036 6.264) 9.822 2.896 ( -6.358 -0.332 -8.708) 10.787 3.144 ( -3.479 2.799 3.236) 5.514 3.253 ( 0.898 7.071 -9.082) 11.545 3.656 ( -3.543 1.794 10.428) 11.158 3.852 ( 0.804 2.749 -2.207) 3.616 3.889 ( -2.476 -3.445 6.234) 7.540 4.042 ( -2.854 -1.524 -2.135) 3.876 4.292 ( -0.397 -0.438 -1.750) 1.847 4.348 ( -0.113 1.224 -5.848) 5.976 4.665 ( 0.277 -9.415 2.830) 9.835 4.778 ( 2.594 -10.059 -7.566) 12.852 5.278 ( 4.546 10.602 9.137) 14.716 5.442 ( -0.914 13.031 2.639) 13.327 5.942 ( 8.918 1.581 4.596) 10.156 6.116 ( -0.455 1.227 -2.412) 2.744 6.409 ( -4.853 12.947 5.556) 14.901 6.549 ( 0.376 9.471 -6.903) 11.726 6.905 ( 8.485 4.940 2.148) 10.051 7.163 ( -12.341 -0.469 -2.939) 12.695 7.353 ( 11.790 4.815 -0.095) 12.736 7.495 ( 2.620 2.683 -0.667) 3.808 7.567 ( 6.983 0.509 1.992) 7.279 7.973 ( -17.805 6.158 -8.959) 20.861 8.134 ( 6.823 -5.765 3.991) 9.783 8.313 ( -2.244 -5.678 -4.849) 7.797 9.152 ( 7.489 5.407 4.670) 10.350 9.362 ( -5.683 3.524 -3.624) 7.606 10.198 ( 1.097 -4.908 1.970) 5.401 10.263 ( -1.975 -2.430 -0.708) 3.211 12.027 ( -3.024 -1.449 13.390) 13.804 12.275 ( 2.236 -3.865 -9.760) 10.733 13.361 ( -2.753 6.374 16.428) 17.835 13.686 ( 0.075 6.435 -12.558) 14.111 14.658 ( 1.889 -1.548 -2.495) 3.491 14.670 ( -1.134 -2.525 -0.193) 2.775 ======================= Grid point 442 (228/251) ======================= q-point: (-0.30 -0.70 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.574 ( 3.211 0.986 2.521) 4.200 1.659 ( -0.181 0.600 -5.655) 5.690 1.844 ( -2.366 4.222 4.184) 6.397 1.962 ( 0.480 7.398 -7.665) 10.664 2.048 ( 1.438 5.040 2.792) 5.939 2.079 ( -0.255 1.742 -1.321) 2.201 2.710 ( -3.285 -6.045 6.551) 9.500 2.848 ( 0.403 -1.855 -6.752) 7.014 3.115 ( -1.720 -0.881 2.356) 3.047 3.196 ( 2.310 0.233 -5.154) 5.653 3.614 ( -2.047 2.154 11.287) 11.672 3.806 ( -0.386 1.736 -5.077) 5.380 3.944 ( -1.377 -3.066 5.546) 6.485 4.052 ( -0.455 -1.487 -2.289) 2.768 4.257 ( -4.947 2.198 -1.055) 5.515 4.288 ( 4.210 3.589 -3.214) 6.398 4.799 ( 2.586 -4.074 2.004) 5.225 4.903 ( 1.511 -2.674 -8.282) 8.833 5.182 ( 1.974 4.029 9.825) 10.801 5.274 ( 1.298 6.682 1.387) 6.947 5.899 ( 3.573 8.948 1.966) 9.833 6.046 ( -3.681 7.187 -11.624) 14.154 6.254 ( 6.486 3.369 5.327) 9.043 6.354 ( -5.937 5.975 -5.621) 10.126 6.946 ( 11.365 1.128 4.616) 12.318 7.031 ( -10.193 4.166 -3.537) 11.566 7.390 ( 5.501 0.300 1.667) 5.756 7.457 ( -5.118 -2.649 -4.317) 7.200 7.663 ( 10.510 0.310 2.433) 10.792 7.732 ( -13.233 3.336 -4.748) 14.449 8.315 ( 5.673 -6.383 5.162) 9.978 8.408 ( -4.633 -6.803 -3.914) 9.114 9.096 ( 6.615 6.985 5.276) 10.972 9.162 ( -8.770 7.984 -1.584) 11.965 10.286 ( 0.183 -3.192 2.002) 3.772 10.328 ( 0.515 -3.426 -1.857) 3.931 12.062 ( -2.808 -1.764 14.687) 15.057 12.328 ( 2.116 -2.091 -10.636) 11.044 13.312 ( -0.172 0.288 13.724) 13.728 13.565 ( -0.108 4.281 -11.684) 12.444 14.675 ( -1.768 -0.959 -0.562) 2.088 14.695 ( 2.692 0.407 -2.546) 3.728 ======================= Grid point 443 (229/251) ======================= q-point: (-0.20 0.30 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( -3.478 9.874 0.773) 10.497 1.614 ( 5.284 4.640 -6.623) 9.660 1.752 ( -6.005 -0.080 2.383) 6.461 1.922 ( 7.912 1.421 -3.271) 8.679 2.069 ( 0.679 -6.420 0.124) 6.457 2.093 ( -0.998 -3.878 -3.394) 5.249 2.722 ( -12.902 -4.126 4.497) 14.272 2.965 ( 10.197 -3.727 -1.857) 11.015 3.139 ( -0.379 -1.946 3.917) 4.390 3.223 ( 1.210 -1.890 -4.235) 4.793 3.615 ( 0.718 -0.927 12.422) 12.478 3.748 ( -2.188 2.861 -4.661) 5.890 3.997 ( -1.479 -3.252 -1.141) 3.750 4.079 ( 0.767 -1.785 -3.433) 3.945 4.197 ( -3.405 -1.122 1.179) 3.774 4.313 ( 5.369 -2.435 -1.445) 6.070 4.845 ( -4.759 -1.072 -2.283) 5.386 4.919 ( 5.255 0.140 -0.183) 5.260 5.147 ( 2.382 4.908 4.641) 7.162 5.194 ( -1.492 2.562 -4.091) 5.052 5.782 ( 3.495 6.238 5.854) 9.241 5.885 ( -3.057 3.102 -13.864) 14.532 6.185 ( -6.892 2.148 3.283) 7.931 6.351 ( 9.462 0.556 0.205) 9.481 6.870 ( -7.230 4.948 -1.219) 8.845 7.002 ( 9.211 3.040 -1.068) 9.759 7.430 ( -1.428 -3.767 2.749) 4.877 7.465 ( -9.077 -1.436 -2.796) 9.606 7.607 ( -3.955 -2.130 -3.001) 5.402 7.741 ( 10.087 4.143 0.655) 10.924 8.342 ( -9.538 0.024 1.664) 9.682 8.502 ( 8.371 -0.038 -0.079) 8.371 9.044 ( -3.191 -0.517 1.277) 3.476 9.068 ( 2.603 0.078 3.191) 4.119 10.309 ( -0.466 0.532 1.943) 2.068 10.354 ( 0.537 0.519 -2.234) 2.355 12.085 ( -2.740 -0.065 15.346) 15.589 12.341 ( 1.968 0.312 -9.823) 10.024 13.382 ( -1.285 -4.611 8.153) 9.454 13.520 ( 1.369 -2.162 -7.361) 7.793 14.672 ( -1.689 -0.793 -2.787) 3.354 14.691 ( 2.019 1.496 -1.184) 2.777 ======================= Grid point 444 (230/251) ======================= q-point: (-0.10 0.30 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.341 ( -2.725 1.946 5.296) 6.266 1.520 ( 0.320 4.569 -2.432) 5.186 1.796 ( 3.917 -3.305 -2.887) 5.882 1.945 ( 6.064 1.716 -3.665) 7.290 2.187 ( -3.846 -9.366 -1.336) 10.212 2.240 ( -0.740 -11.265 -1.510) 11.390 2.700 ( -11.019 -2.860 3.032) 11.781 3.075 ( 7.694 -1.647 -4.701) 9.166 3.194 ( 0.457 -2.699 7.578) 8.057 3.250 ( -1.385 -2.081 -5.192) 5.762 3.687 ( 0.887 -0.860 -3.879) 4.071 3.701 ( 2.881 -1.722 11.838) 12.305 4.003 ( -3.948 -0.642 0.602) 4.044 4.093 ( -1.073 -0.275 -5.314) 5.428 4.250 ( -2.111 -4.261 1.326) 4.936 4.425 ( 4.796 -4.604 -0.149) 6.650 4.862 ( -2.661 -4.309 1.864) 5.396 4.890 ( -0.342 4.248 5.319) 6.815 5.050 ( -3.547 4.034 -7.858) 9.519 5.219 ( 3.974 -5.520 -3.654) 7.721 5.736 ( -2.972 2.992 4.071) 5.861 5.846 ( 2.907 -1.751 -6.184) 7.054 6.173 ( -1.044 -4.387 1.509) 4.755 6.399 ( 7.961 1.361 4.400) 9.197 6.774 ( -0.925 1.681 0.196) 1.929 6.977 ( 4.990 4.433 -5.934) 8.931 7.344 ( -10.191 4.234 0.347) 11.041 7.534 ( 2.412 -5.116 2.950) 6.379 7.627 ( -1.874 -0.000 -5.417) 5.732 7.723 ( 3.323 0.770 0.261) 3.421 8.295 ( -3.284 -0.871 0.820) 3.496 8.478 ( 3.853 6.541 -0.417) 7.603 9.044 ( -2.554 -0.968 1.623) 3.177 9.173 ( 6.012 -4.977 -0.456) 7.818 10.290 ( -0.862 0.927 2.089) 2.442 10.321 ( -0.217 2.325 -0.953) 2.522 12.077 ( -2.635 1.432 14.549) 14.855 12.312 ( 2.261 2.876 -9.298) 9.991 13.442 ( -6.475 -5.403 5.625) 10.137 13.645 ( 3.794 -8.347 -4.360) 10.153 14.674 ( -2.042 -1.909 -6.664) 7.227 14.682 ( 1.657 0.833 2.957) 3.490 ======================= Grid point 449 (231/251) ======================= q-point: ( 0.40 0.40 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( 11.679 0.000 -5.512) 12.914 1.744 ( -10.905 -0.000 4.367) 11.746 1.806 ( 6.398 0.000 -7.855) 10.131 1.964 ( -7.460 -0.000 -1.642) 7.639 2.317 ( 0.999 0.000 4.218) 4.335 2.636 ( -5.307 -0.000 0.308) 5.316 2.701 ( -13.205 -0.000 9.543) 16.292 2.843 ( 3.761 0.000 -6.653) 7.642 3.471 ( -7.708 -0.000 7.166) 10.525 3.503 ( 1.656 0.000 -0.726) 1.808 3.726 ( -0.766 -0.000 3.942) 4.016 3.882 ( 0.996 0.000 5.876) 5.960 3.948 ( -8.660 -0.000 10.066) 13.279 3.997 ( 3.693 0.000 -10.256) 10.900 4.195 ( -4.818 -0.000 -15.257) 15.999 4.223 ( 1.373 0.000 -1.604) 2.111 4.279 ( 4.414 0.000 -10.066) 10.991 4.293 ( 0.787 0.000 -12.575) 12.600 5.500 ( 7.670 0.000 6.301) 9.926 5.541 ( 4.191 0.000 8.135) 9.151 6.148 ( -0.925 -0.000 2.851) 2.997 6.266 ( -6.030 -0.000 1.392) 6.188 6.729 ( 11.723 0.000 -2.710) 12.032 6.806 ( -7.081 -0.000 14.602) 16.228 7.089 ( -0.257 -0.000 11.068) 11.071 7.208 ( 12.613 0.000 -4.140) 13.275 7.532 ( 3.227 0.000 -20.184) 20.440 7.539 ( -9.081 -0.000 3.934) 9.897 7.731 ( 12.882 0.000 11.953) 17.574 8.359 ( -4.734 -0.000 -5.681) 7.395 8.380 ( 2.411 0.000 -4.792) 5.364 8.508 ( -3.599 -0.000 -0.122) 3.601 8.670 ( -1.953 -0.000 6.516) 6.803 8.869 ( 5.208 0.000 -11.368) 12.504 10.315 ( 5.138 0.000 3.593) 6.269 10.506 ( -0.789 -0.000 -0.707) 1.059 12.033 ( 3.564 0.000 -2.727) 4.488 12.067 ( -5.368 -0.000 8.209) 9.809 13.645 ( -4.287 -0.000 15.978) 16.543 13.954 ( -1.901 -0.000 -6.606) 6.874 14.525 ( -1.037 -0.000 -6.422) 6.505 14.530 ( -2.829 -0.000 -1.717) 3.309 ======================= Grid point 450 (232/251) ======================= q-point: (-0.50 -0.60 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.571 ( 12.368 0.307 -5.306) 13.462 1.645 ( -13.404 0.520 5.426) 14.470 1.881 ( 2.691 -2.928 -3.635) 5.388 1.929 ( -4.881 -3.784 -2.418) 6.633 2.310 ( 2.118 4.176 6.043) 7.645 2.508 ( -7.837 5.675 -3.768) 10.384 2.631 ( -2.272 2.857 12.527) 13.048 2.870 ( 1.596 -1.149 -8.746) 8.965 3.377 ( -4.325 6.608 8.592) 11.670 3.509 ( -0.269 1.323 -2.024) 2.433 3.736 ( 0.470 -1.111 4.164) 4.335 3.821 ( -2.958 7.023 0.982) 7.683 3.917 ( -0.961 0.356 5.056) 5.159 3.951 ( -7.787 -1.350 0.760) 7.939 4.199 ( -0.441 -3.749 -9.730) 10.437 4.278 ( 4.427 -1.787 -12.393) 13.281 4.311 ( -1.068 -8.314 0.736) 8.414 4.411 ( 5.986 -8.722 -12.549) 16.413 5.531 ( 3.278 2.659 8.229) 9.249 5.622 ( 5.054 -2.323 1.405) 5.737 6.102 ( -0.405 5.066 3.382) 6.104 6.174 ( -5.122 4.124 2.093) 6.901 6.726 ( 1.654 2.861 8.736) 9.340 6.883 ( 1.508 -2.378 -1.808) 3.347 6.981 ( 1.234 8.804 11.331) 14.402 7.285 ( -0.576 4.846 -9.071) 10.301 7.470 ( 0.611 -2.774 0.187) 2.846 7.538 ( 1.038 0.629 -6.247) 6.364 7.763 ( 12.190 8.201 11.162) 18.450 8.183 ( -6.808 7.774 -6.425) 12.168 8.198 ( 2.828 11.966 3.086) 12.677 8.459 ( -5.078 6.622 -9.773) 12.851 8.900 ( 0.088 -17.556 5.392) 18.365 9.049 ( 3.054 -15.257 -8.787) 17.869 10.286 ( 5.849 7.520 2.704) 9.903 10.420 ( -4.624 7.074 -0.626) 8.474 12.016 ( -2.779 0.831 8.116) 8.618 12.117 ( 2.263 -4.408 -3.417) 6.019 13.605 ( -2.474 4.782 16.519) 17.374 13.894 ( -0.824 3.833 -8.817) 9.649 14.536 ( -3.064 -3.233 -0.538) 4.486 14.549 ( 1.478 -3.530 -5.472) 6.677 ======================= Grid point 451 (233/251) ======================= q-point: (-0.40 -0.60 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.550 ( -10.759 -0.343 4.473) 11.657 1.651 ( 10.958 0.520 -5.363) 12.211 1.895 ( -8.434 -3.240 4.649) 10.161 2.015 ( 4.663 -3.070 -6.918) 8.890 2.220 ( -3.482 5.715 8.632) 10.922 2.365 ( 1.615 6.970 -4.998) 8.728 2.605 ( -1.022 1.282 13.492) 13.591 2.869 ( 1.820 0.631 -11.698) 11.856 3.225 ( -2.653 7.930 6.913) 10.850 3.398 ( 0.042 9.245 -8.813) 12.773 3.684 ( -2.883 3.128 9.940) 10.812 3.810 ( -1.955 -3.829 3.855) 5.775 3.902 ( -0.390 1.491 4.198) 4.472 3.965 ( -2.819 -3.811 -1.236) 4.899 4.233 ( -3.372 -2.943 -2.279) 5.023 4.350 ( 5.687 -2.670 -10.712) 12.419 4.478 ( -0.515 -11.014 1.565) 11.137 4.612 ( 6.112 -10.273 -11.412) 16.527 5.481 ( 0.474 7.034 9.686) 11.980 5.615 ( -0.248 6.219 -2.892) 6.863 6.036 ( 2.450 2.846 5.582) 6.728 6.106 ( 0.580 0.789 -1.192) 1.543 6.643 ( -1.831 11.038 7.550) 13.498 6.756 ( 5.454 11.716 -2.806) 13.224 6.982 ( -4.988 -2.720 5.387) 7.829 7.115 ( -1.885 6.825 -6.559) 9.652 7.464 ( -7.637 1.978 3.779) 8.748 7.557 ( 10.155 3.142 -4.703) 11.623 7.743 ( 12.625 5.475 8.281) 16.060 7.972 ( -11.406 8.876 -13.255) 19.610 8.111 ( 2.986 1.100 6.454) 7.196 8.255 ( -5.812 4.299 -7.606) 10.494 9.177 ( 2.307 -9.926 4.572) 11.169 9.283 ( -1.731 -8.337 -5.898) 10.358 10.210 ( 2.849 4.597 2.506) 5.961 10.250 ( -2.804 4.693 -1.092) 5.575 12.008 ( -3.477 -0.679 11.295) 11.838 12.211 ( 4.062 -4.125 -8.129) 9.980 13.506 ( -0.923 7.723 16.456) 18.202 13.783 ( 0.478 6.233 -11.267) 12.885 14.579 ( -3.596 -4.012 0.982) 5.476 14.635 ( 3.700 -4.180 -4.341) 7.071 ======================= Grid point 452 (234/251) ======================= q-point: (-0.30 -0.60 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( -7.139 -3.412 1.555) 8.064 1.704 ( 7.968 1.305 -4.759) 9.373 1.876 ( -5.889 0.638 5.921) 8.375 2.033 ( 0.762 2.189 -6.310) 6.722 2.126 ( -1.283 4.032 5.277) 6.764 2.244 ( 5.116 9.621 -0.490) 10.908 2.593 ( -9.139 -0.971 7.347) 11.766 2.862 ( 7.245 0.249 -8.072) 10.850 3.113 ( -2.140 2.980 3.741) 5.240 3.252 ( 2.677 5.096 -6.499) 8.682 3.650 ( -2.243 1.587 12.307) 12.610 3.832 ( -1.933 0.039 -4.606) 4.995 3.903 ( 0.330 -0.639 9.834) 9.860 4.013 ( 1.181 -2.461 -1.779) 3.258 4.236 ( -4.315 -0.740 1.178) 4.534 4.379 ( 4.272 2.437 -6.385) 8.059 4.682 ( 0.780 -10.633 0.928) 10.702 4.806 ( 4.952 -8.367 -9.403) 13.526 5.320 ( -4.007 10.154 6.582) 12.747 5.470 ( 5.035 9.743 -1.144) 11.027 5.982 ( -6.492 2.025 1.709) 7.013 6.143 ( 6.584 4.026 -6.336) 9.985 6.404 ( 1.086 10.680 6.564) 12.583 6.553 ( 4.381 15.085 -7.890) 17.578 6.947 ( -12.571 -1.464 -1.328) 12.725 7.073 ( 9.923 2.279 4.719) 11.222 7.365 ( -10.375 0.631 -0.751) 10.421 7.505 ( 1.997 8.338 -2.227) 8.858 7.651 ( -12.197 4.389 -5.725) 14.171 7.837 ( 15.918 2.914 3.961) 16.660 8.200 ( -1.434 -7.268 3.265) 8.095 8.241 ( -3.566 -6.287 -3.413) 7.993 9.225 ( -9.378 6.917 -2.770) 11.978 9.275 ( 5.004 2.769 5.215) 7.740 10.214 ( -0.616 -4.545 0.874) 4.669 10.260 ( 2.815 -3.009 -0.863) 4.210 12.029 ( -3.086 -2.080 12.717) 13.251 12.288 ( 4.264 -2.745 -10.368) 11.542 13.403 ( 0.648 6.253 15.624) 16.841 13.649 ( 0.846 6.816 -12.211) 14.010 14.614 ( -3.590 -2.778 0.351) 4.553 14.715 ( 4.098 -1.709 -3.066) 5.396 ======================= Grid point 453 (235/251) ======================= q-point: (-0.20 -0.60 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.574 ( -2.005 -7.122 -3.810) 8.323 1.646 ( 0.028 9.516 -3.020) 9.983 1.801 ( -4.415 5.003 5.042) 8.363 1.991 ( 4.934 1.139 -4.940) 7.074 2.067 ( 0.467 2.245 -1.339) 2.656 2.103 ( 3.176 8.895 1.118) 9.511 2.553 ( -11.390 -4.125 4.356) 12.873 2.960 ( 7.836 -3.958 -0.264) 8.783 3.101 ( -1.053 -1.816 1.894) 2.828 3.227 ( 3.691 0.676 -4.024) 5.502 3.633 ( -1.110 0.958 11.982) 12.072 3.792 ( 1.134 2.698 -5.874) 6.563 3.934 ( -2.320 -1.746 6.037) 6.698 4.061 ( 2.661 -1.343 -0.118) 2.983 4.198 ( -2.796 1.719 0.540) 3.326 4.348 ( 4.561 2.092 -2.298) 5.519 4.818 ( 1.145 -2.062 -2.025) 3.109 4.937 ( 4.608 -3.686 -7.831) 9.806 5.134 ( -6.296 5.369 0.930) 8.326 5.367 ( 5.948 7.370 2.457) 9.784 5.893 ( -6.568 1.859 0.020) 6.826 5.923 ( -4.945 11.772 -9.091) 15.674 6.311 ( 4.752 13.671 -2.064) 14.620 6.427 ( 9.782 -0.958 2.678) 10.187 6.854 ( -9.260 1.365 -4.294) 10.298 7.128 ( 8.332 2.680 3.151) 9.302 7.306 ( -9.583 -3.643 -2.477) 10.547 7.355 ( -12.710 -0.675 0.460) 12.737 7.595 ( 4.449 1.013 -1.510) 4.807 7.910 ( 13.037 4.094 4.240) 14.308 8.221 ( -11.756 -3.166 -2.984) 12.535 8.435 ( 2.687 -11.969 2.164) 12.456 9.029 ( -6.902 4.485 -0.334) 8.238 9.212 ( 4.831 8.518 5.709) 11.335 10.291 ( -0.275 -2.895 1.054) 3.093 10.333 ( 1.112 -2.848 -1.895) 3.597 12.070 ( -2.944 -2.093 13.879) 14.341 12.336 ( 3.751 -1.146 -9.978) 10.721 13.370 ( 1.172 1.430 11.972) 12.114 13.530 ( 0.989 3.988 -10.247) 11.040 14.624 ( -3.010 -1.523 -1.896) 3.870 14.742 ( 3.163 1.166 -1.707) 3.779 ======================= Grid point 454 (236/251) ======================= q-point: (-0.10 -0.60 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( -1.963 9.346 -1.426) 9.656 1.645 ( -0.730 8.805 1.201) 8.917 1.723 ( 2.886 -8.318 -5.106) 10.178 2.006 ( 2.284 2.679 0.135) 3.523 2.035 ( -1.569 -2.218 -3.375) 4.332 2.097 ( 1.479 -5.393 -3.130) 6.408 2.572 ( -7.196 -4.087 5.098) 9.720 3.068 ( 2.842 -2.977 -1.825) 4.502 3.152 ( 0.540 -3.445 4.391) 5.607 3.234 ( 1.697 0.719 -3.492) 3.948 3.664 ( -0.223 -2.943 10.616) 11.019 3.738 ( 2.469 3.336 -2.809) 5.011 3.950 ( -3.642 -1.566 2.217) 4.542 4.097 ( 3.369 0.364 -4.708) 5.801 4.173 ( -0.712 -2.073 2.281) 3.163 4.390 ( 4.213 -2.541 -0.585) 4.955 4.765 ( -2.681 2.451 -4.512) 5.793 4.977 ( 1.324 0.902 -1.295) 2.060 5.059 ( -5.068 0.158 -7.240) 8.839 5.285 ( 4.262 6.895 7.626) 11.129 5.758 ( -4.620 2.061 -4.103) 6.514 5.837 ( -0.324 0.073 -6.159) 6.168 6.180 ( 5.152 4.807 4.862) 8.561 6.484 ( 4.216 1.645 2.688) 5.263 6.785 ( -0.808 0.234 -3.216) 3.324 7.090 ( 1.187 4.681 -4.029) 6.289 7.264 ( -11.915 -1.840 1.578) 12.159 7.396 ( -1.747 -6.887 -1.202) 7.206 7.630 ( 4.374 -0.629 -0.124) 4.421 7.867 ( 4.803 8.677 0.932) 9.961 8.204 ( -6.691 -4.891 -0.540) 8.305 8.596 ( 3.099 -0.359 -0.058) 3.121 8.994 ( -2.824 -2.457 1.075) 3.894 9.140 ( 3.630 0.675 4.015) 5.455 10.307 ( -0.580 0.619 1.617) 1.826 10.355 ( 0.544 0.757 -1.918) 2.132 12.093 ( -3.321 -0.211 14.534) 14.910 12.350 ( 3.304 0.815 -8.539) 9.192 13.361 ( -3.667 0.311 4.538) 5.843 13.544 ( 3.482 -4.705 -3.952) 7.063 14.622 ( -1.872 -1.271 -4.511) 5.046 14.728 ( 1.952 2.094 0.450) 2.898 ======================= Grid point 460 (237/251) ======================= q-point: (-0.50 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( -15.058 -0.000 6.677) 16.472 1.659 ( 10.951 0.000 -3.816) 11.597 1.814 ( -10.107 -0.000 2.460) 10.402 1.905 ( 8.083 0.000 -6.182) 10.176 2.411 ( 7.498 0.000 5.015) 9.021 2.463 ( -12.537 -0.000 1.325) 12.607 2.661 ( -0.814 -0.000 9.053) 9.089 2.869 ( 3.831 0.000 -9.378) 10.131 3.407 ( -5.342 -0.000 10.116) 11.440 3.522 ( 1.374 0.000 -0.809) 1.594 3.754 ( 1.577 0.000 7.264) 7.433 3.843 ( -8.916 -0.000 12.605) 15.440 3.903 ( -0.902 -0.000 6.319) 6.383 3.928 ( -5.680 -0.000 -7.919) 9.745 4.179 ( 7.330 0.000 -12.921) 14.856 4.208 ( -2.270 -0.000 -0.140) 2.274 4.267 ( 2.362 0.000 -17.396) 17.555 4.336 ( 6.554 0.000 -10.347) 12.248 5.610 ( 3.952 0.000 2.630) 4.747 5.611 ( 1.524 0.000 3.077) 3.434 6.156 ( 1.143 0.000 3.578) 3.756 6.188 ( -3.800 -0.000 0.914) 3.908 6.716 ( -10.823 -0.000 14.096) 17.772 6.887 ( 9.063 0.000 -1.065) 9.125 7.122 ( -0.330 -0.000 7.884) 7.891 7.354 ( 7.607 0.000 -10.153) 12.687 7.381 ( -13.532 -0.000 6.117) 14.851 7.530 ( 5.020 0.000 -11.334) 12.396 7.965 ( 11.331 0.000 12.412) 16.806 8.181 ( -11.285 -0.000 -8.280) 13.997 8.443 ( -4.867 -0.000 1.208) 5.014 8.453 ( 5.124 0.000 -3.256) 6.070 8.670 ( -1.082 -0.000 5.603) 5.707 8.888 ( 3.358 0.000 -12.623) 13.062 10.409 ( 4.697 0.000 3.156) 5.659 10.460 ( -4.335 -0.000 -1.510) 4.591 12.005 ( -5.655 -0.000 6.766) 8.818 12.100 ( 6.003 0.000 -2.646) 6.561 13.670 ( 0.229 0.000 16.193) 16.194 13.908 ( -0.569 -0.000 -8.164) 8.184 14.490 ( -1.288 -0.000 -1.876) 2.276 14.507 ( 0.970 0.000 -4.343) 4.450 ======================= Grid point 461 (238/251) ======================= q-point: (-0.40 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( -13.345 -0.822 6.135) 14.711 1.731 ( 0.920 -3.214 1.486) 3.659 1.768 ( -1.178 0.397 0.581) 1.372 1.987 ( 6.041 -3.056 -5.335) 8.620 2.323 ( -5.582 5.538 6.192) 10.008 2.457 ( 5.043 2.885 0.667) 5.848 2.651 ( -0.786 2.405 9.590) 9.918 2.884 ( 4.701 0.206 -9.889) 10.951 3.347 ( -4.818 4.803 11.342) 13.226 3.503 ( 0.545 3.774 -1.328) 4.038 3.765 ( -1.160 1.953 8.953) 9.237 3.784 ( -1.265 5.403 -0.885) 5.619 3.849 ( -3.119 -3.853 1.410) 5.154 3.930 ( -0.904 -1.282 9.640) 9.767 4.171 ( 0.476 -0.306 -8.506) 8.524 4.263 ( 0.235 -6.939 -5.518) 8.869 4.345 ( 4.729 -5.259 -10.177) 12.393 4.460 ( 6.051 -9.408 -12.248) 16.587 5.581 ( -0.728 3.561 5.477) 6.573 5.648 ( -1.094 -0.380 -3.205) 3.408 6.115 ( -0.878 4.634 2.636) 5.403 6.163 ( 4.571 1.846 2.285) 5.434 6.681 ( -10.343 -2.024 10.404) 14.809 6.938 ( 4.949 2.238 -2.179) 5.852 7.027 ( -0.167 10.046 8.403) 13.098 7.195 ( -6.572 5.762 -2.911) 9.212 7.420 ( -4.151 -1.711 -3.486) 5.684 7.597 ( 5.751 -3.060 -5.032) 8.232 7.971 ( 4.311 9.161 7.223) 12.437 8.004 ( -6.072 6.174 -6.598) 10.886 8.277 ( 1.886 9.062 6.457) 11.286 8.347 ( -3.122 11.395 -8.226) 14.397 8.910 ( -1.101 -18.292 4.046) 18.766 9.055 ( 2.091 -14.097 -9.057) 16.886 10.320 ( -5.837 8.850 -0.167) 10.603 10.393 ( 4.773 6.093 1.528) 7.890 11.981 ( -4.653 -0.690 7.602) 8.940 12.173 ( 5.952 -2.955 -4.848) 8.226 13.660 ( 2.325 5.393 15.020) 16.127 13.858 ( 0.263 3.612 -9.019) 9.719 14.496 ( -1.623 -2.301 -0.491) 2.858 14.567 ( 2.797 -5.007 -3.537) 6.738 ======================= Grid point 462 (239/251) ======================= q-point: (-0.30 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.397 ( -10.071 -2.593 3.491) 10.969 1.761 ( -5.862 -3.033 5.616) 8.666 1.807 ( 5.402 -0.913 -1.147) 5.597 2.038 ( -0.760 -0.382 -4.113) 4.200 2.227 ( 2.084 4.964 7.801) 9.479 2.413 ( 5.649 5.825 -2.837) 8.596 2.591 ( -4.161 4.545 7.829) 9.963 2.903 ( 5.869 0.173 -7.739) 9.715 3.213 ( -3.221 7.825 8.574) 12.046 3.382 ( 1.435 8.128 -5.533) 9.936 3.685 ( -1.768 2.253 8.938) 9.386 3.783 ( -2.225 -1.336 6.904) 7.376 3.927 ( 2.243 -2.084 2.517) 3.963 3.977 ( 2.397 -2.640 4.091) 5.427 4.181 ( -1.885 -1.822 -2.890) 3.902 4.388 ( 3.651 -4.425 -9.668) 11.242 4.480 ( 0.928 -10.441 -2.379) 10.749 4.667 ( 6.152 -10.217 -11.789) 16.769 5.453 ( -5.631 8.322 5.134) 11.284 5.615 ( -0.481 2.721 -1.888) 3.347 6.006 ( -3.173 6.475 0.691) 7.244 6.218 ( 8.945 -0.777 -1.431) 9.092 6.611 ( -4.925 6.128 3.877) 8.766 6.812 ( -0.477 10.834 -7.955) 13.450 6.861 ( -4.779 6.267 8.761) 11.784 7.148 ( 1.623 -1.042 3.770) 4.235 7.349 ( -5.629 3.940 -0.970) 6.939 7.656 ( 3.418 1.855 -4.992) 6.328 7.674 ( -14.206 13.834 -11.385) 22.865 7.967 ( 5.557 0.512 6.902) 8.876 8.142 ( -4.102 3.353 -5.519) 7.650 8.202 ( 5.022 4.831 8.175) 10.742 9.190 ( -2.354 -10.831 0.443) 11.093 9.222 ( -3.284 -4.871 -2.152) 6.256 10.158 ( -3.293 1.823 -0.349) 3.780 10.327 ( 5.858 5.345 1.261) 8.030 11.986 ( -3.812 -1.877 9.314) 10.237 12.261 ( 5.519 -2.886 -7.969) 10.114 13.580 ( 3.235 8.423 13.936) 16.602 13.756 ( 1.030 6.286 -10.036) 11.886 14.534 ( -2.173 -3.230 0.518) 3.927 14.682 ( 3.858 -4.772 -2.966) 6.816 ======================= Grid point 463 (240/251) ======================= q-point: (-0.20 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( -6.077 -6.250 -0.746) 8.749 1.769 ( 0.542 2.430 -0.714) 2.590 1.821 ( -2.895 1.296 5.187) 6.080 2.007 ( -1.737 0.089 -3.252) 3.688 2.168 ( 3.779 6.440 3.481) 8.239 2.335 ( 6.279 9.799 0.359) 11.644 2.464 ( -6.223 2.863 1.088) 6.936 2.955 ( 5.023 -2.192 -0.950) 5.563 3.099 ( -1.698 3.050 4.255) 5.504 3.289 ( 3.990 3.668 -3.205) 6.297 3.663 ( -2.508 1.157 10.799) 11.146 3.807 ( 1.203 -0.734 0.537) 1.508 3.945 ( 1.218 1.599 5.563) 5.914 4.063 ( 4.770 -2.467 0.474) 5.391 4.182 ( -2.835 -0.712 0.037) 2.924 4.416 ( 2.853 1.655 -3.840) 5.062 4.703 ( 1.695 -12.119 -1.004) 12.278 4.846 ( 4.354 -6.460 -9.764) 12.491 5.269 ( -2.316 9.039 -0.003) 9.331 5.524 ( 0.906 7.093 -1.251) 7.259 5.859 ( -7.818 3.931 -1.296) 8.846 6.147 ( -2.948 15.603 -8.865) 18.186 6.500 ( 6.453 2.563 4.841) 8.465 6.600 ( 3.032 11.415 -6.075) 13.281 6.780 ( -6.196 0.575 0.587) 6.250 7.181 ( -8.668 -1.948 -1.286) 8.977 7.256 ( 6.776 4.359 5.263) 9.624 7.293 ( -14.948 7.737 -3.569) 17.205 7.661 ( 4.449 1.231 -2.293) 5.154 8.044 ( -0.706 -2.170 1.017) 2.498 8.118 ( 2.379 0.977 -1.045) 2.776 8.223 ( -1.500 -7.423 6.636) 10.069 9.088 ( -6.332 7.456 -1.371) 9.877 9.326 ( -0.854 -1.404 4.589) 4.874 10.206 ( -0.026 -5.870 -0.639) 5.905 10.315 ( 3.717 0.538 -0.119) 3.758 12.021 ( -3.280 -2.963 10.986) 11.842 12.327 ( 4.766 -1.777 -9.547) 10.817 13.490 ( 3.681 6.986 12.975) 15.189 13.624 ( 1.229 7.116 -10.071) 12.392 14.567 ( -2.165 -2.197 -0.335) 3.102 14.762 ( 3.227 -1.465 -2.746) 4.483 ======================= Grid point 464 (241/251) ======================= q-point: (-0.10 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.523 ( -1.372 -9.065 -8.068) 12.213 1.619 ( -1.889 10.060 -2.587) 10.558 1.762 ( -3.313 4.514 6.786) 8.798 2.017 ( -1.433 -2.300 -2.534) 3.710 2.079 ( 2.255 5.593 -2.032) 6.363 2.158 ( 3.498 10.880 0.231) 11.430 2.476 ( 0.316 -3.945 4.477) 5.975 3.031 ( 0.984 -2.615 1.908) 3.383 3.099 ( -0.145 -2.727 2.306) 3.574 3.274 ( 3.375 1.795 -2.145) 4.383 3.640 ( -4.170 0.164 10.644) 11.433 3.819 ( 5.647 2.053 -5.919) 8.434 3.929 ( -0.829 0.932 5.829) 5.961 4.127 ( 5.236 -0.201 -0.616) 5.276 4.168 ( -1.474 0.295 1.291) 1.982 4.404 ( 2.645 0.949 0.545) 2.863 4.850 ( 3.866 1.847 -2.617) 5.021 4.928 ( -1.898 -5.315 -7.747) 9.584 5.066 ( -1.242 10.059 -5.292) 11.434 5.433 ( 1.759 3.847 -0.649) 4.280 5.775 ( -5.052 -0.280 -7.730) 9.239 5.803 ( -7.701 9.956 0.273) 12.589 6.396 ( 2.230 10.315 0.615) 10.571 6.560 ( 7.057 3.803 0.179) 8.019 6.735 ( -5.044 -2.354 -1.225) 5.700 7.101 ( -7.529 0.717 -5.105) 9.125 7.170 ( -5.486 -1.573 2.041) 6.061 7.317 ( 4.486 -1.841 4.358) 6.520 7.682 ( 5.807 1.066 -1.652) 6.131 7.998 ( -11.297 1.031 -5.490) 12.603 8.104 ( 6.583 2.466 5.966) 9.220 8.454 ( -1.042 -14.504 3.068) 14.862 8.959 ( -2.127 2.052 1.237) 3.204 9.271 ( 0.149 7.003 4.696) 8.433 10.288 ( -0.370 -2.868 0.198) 2.899 10.345 ( 1.101 -1.313 -1.605) 2.348 12.068 ( -3.524 -2.400 12.819) 13.509 12.364 ( 3.786 -0.568 -9.107) 9.879 13.419 ( 0.692 6.306 6.088) 8.793 13.534 ( 2.997 1.593 -4.273) 5.457 14.580 ( -1.373 -1.324 -2.202) 2.913 14.775 ( 1.911 1.403 -2.132) 3.188 ======================= Grid point 471 (242/251) ======================= q-point: (-0.40 -0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( -12.496 -0.000 7.657) 14.655 1.625 ( -11.690 -0.000 7.733) 14.016 1.844 ( 9.281 0.000 -3.033) 9.764 1.990 ( 3.841 0.000 -4.355) 5.807 2.324 ( -4.679 -0.000 4.550) 6.526 2.561 ( 8.760 0.000 5.961) 10.595 2.694 ( 0.935 0.000 6.692) 6.757 2.912 ( 6.162 0.000 -8.527) 10.520 3.351 ( -7.800 -0.000 13.074) 15.224 3.553 ( 3.479 0.000 -0.869) 3.586 3.767 ( -4.045 -0.000 15.322) 15.847 3.824 ( -3.538 -0.000 -6.806) 7.671 3.848 ( 4.396 0.000 6.890) 8.173 3.915 ( -1.489 -0.000 9.664) 9.778 4.168 ( -1.690 -0.000 -4.391) 4.705 4.233 ( 0.902 0.000 -13.584) 13.614 4.252 ( 6.543 0.000 -10.860) 12.679 4.398 ( 6.424 0.000 -11.677) 13.328 5.596 ( -3.614 -0.000 -2.908) 4.639 5.634 ( -0.998 -0.000 -1.415) 1.732 6.165 ( 0.080 0.000 1.177) 1.180 6.220 ( 4.797 0.000 5.366) 7.197 6.583 ( -11.889 -0.000 11.902) 16.823 6.994 ( 4.088 0.000 1.646) 4.407 7.112 ( -5.234 -0.000 -0.107) 5.235 7.196 ( -10.942 -0.000 12.107) 16.319 7.360 ( 0.675 0.000 -15.670) 15.684 7.600 ( 4.984 0.000 -1.824) 5.307 7.966 ( -11.486 -0.000 -10.265) 15.404 8.165 ( 8.469 0.000 11.755) 14.488 8.362 ( -5.868 -0.000 0.832) 5.926 8.504 ( 2.729 0.000 -3.385) 4.347 8.671 ( -1.893 -0.000 5.955) 6.249 8.897 ( 4.057 0.000 -12.464) 13.108 10.378 ( -4.703 -0.000 -2.218) 5.200 10.467 ( 1.087 0.000 2.772) 2.978 11.949 ( -4.256 -0.000 5.657) 7.080 12.187 ( 6.044 0.000 -3.572) 7.021 13.769 ( 5.413 0.000 12.887) 13.978 13.876 ( 0.049 0.000 -7.464) 7.464 14.484 ( 1.657 0.000 -1.837) 2.474 14.519 ( 1.809 0.000 -1.483) 2.339 ======================= Grid point 472 (243/251) ======================= q-point: (-0.30 -0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( -9.736 -1.358 6.575) 11.827 1.600 ( -11.020 -5.466 9.832) 15.748 1.887 ( 7.222 1.639 -2.296) 7.753 2.006 ( -2.369 -0.905 -2.773) 3.758 2.318 ( 4.272 1.228 5.537) 7.100 2.575 ( 7.495 6.247 4.070) 10.572 2.677 ( 0.912 4.156 4.984) 6.554 2.943 ( 6.720 0.618 -7.034) 9.747 3.290 ( -8.427 2.729 13.853) 16.442 3.522 ( 2.339 6.855 -0.631) 7.271 3.755 ( -0.348 4.051 -1.707) 4.410 3.795 ( -0.029 -0.017 13.743) 13.743 3.860 ( 1.759 -2.499 1.336) 3.335 3.981 ( 2.374 -3.029 10.819) 11.483 4.146 ( 0.348 -0.578 -7.532) 7.562 4.251 ( 1.270 -6.210 -7.500) 9.820 4.368 ( 2.970 -5.878 -9.700) 11.724 4.509 ( 5.676 -8.957 -11.874) 15.919 5.548 ( -4.818 3.962 1.501) 6.416 5.580 ( -4.987 0.238 -5.477) 7.411 6.121 ( 0.544 5.477 1.293) 5.654 6.271 ( 6.397 -0.023 2.599) 6.905 6.535 ( -11.231 -2.486 7.959) 13.988 6.939 ( -6.592 6.726 2.577) 9.764 7.043 ( 1.800 6.475 -3.683) 7.664 7.123 ( -3.685 -0.064 12.748) 13.270 7.335 ( -3.299 -0.178 -10.162) 10.686 7.639 ( -0.207 -1.446 -1.633) 2.191 7.780 ( -8.771 9.102 -13.398) 18.420 8.105 ( 0.073 10.579 8.968) 13.869 8.234 ( -0.867 8.564 -3.726) 9.379 8.388 ( 3.462 7.821 5.852) 10.363 8.890 ( -3.071 -17.554 2.420) 17.984 9.051 ( 1.581 -11.519 -8.737) 14.544 10.239 ( -3.529 8.676 -0.690) 9.391 10.452 ( 1.535 3.165 1.486) 3.819 11.942 ( -3.406 -1.312 6.377) 7.348 12.244 ( 4.964 -2.127 -5.511) 7.716 13.775 ( 5.527 6.403 9.448) 12.681 13.837 ( 1.192 3.359 -6.073) 7.042 14.492 ( 1.404 -0.692 0.197) 1.577 14.608 ( 3.732 -5.831 -1.725) 7.134 ======================= Grid point 473 (244/251) ======================= q-point: (-0.20 -0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( -6.788 -3.399 3.381) 8.310 1.670 ( -7.644 -7.793 11.171) 15.619 1.889 ( 3.609 3.041 -2.830) 5.503 1.971 ( -5.323 0.201 -1.436) 5.517 2.338 ( 7.858 4.890 7.355) 11.821 2.505 ( 6.958 6.837 -1.698) 9.902 2.577 ( 0.847 8.532 1.575) 8.718 2.970 ( 5.194 0.402 -3.258) 6.144 3.174 ( -6.107 5.466 10.256) 13.128 3.400 ( 2.345 6.517 -2.453) 7.348 3.692 ( -0.385 3.049 7.249) 7.873 3.820 ( 1.627 -0.285 10.062) 10.197 3.970 ( 2.450 -4.004 -1.254) 4.859 4.040 ( 2.073 -1.495 7.831) 8.237 4.159 ( 1.707 -0.456 -6.456) 6.693 4.395 ( 1.187 -6.199 -6.782) 9.264 4.493 ( 2.269 -9.934 -3.331) 10.720 4.714 ( 5.313 -10.751 -11.845) 16.856 5.394 ( -3.450 8.041 3.123) 9.291 5.547 ( -6.635 -1.198 -3.645) 7.665 5.970 ( -2.191 10.968 1.261) 11.255 6.285 ( -0.755 3.582 -3.374) 4.978 6.527 ( -6.675 -2.948 0.499) 7.314 6.749 ( -0.103 11.117 2.357) 11.365 6.905 ( 3.486 8.330 1.502) 9.154 7.106 ( -7.245 0.975 0.549) 7.331 7.332 ( 0.267 -1.008 -3.488) 3.641 7.396 ( -12.373 14.815 -8.788) 21.209 7.683 ( 1.480 0.339 -1.670) 2.257 7.963 ( -6.111 1.592 3.772) 7.356 8.115 ( 2.124 3.422 -1.891) 4.450 8.326 ( 4.669 5.665 9.340) 11.880 9.135 ( -1.802 -1.324 -5.776) 6.194 9.159 ( -6.112 -11.740 3.503) 13.692 10.137 ( 0.578 -0.317 -0.034) 0.660 10.401 ( 2.886 4.234 0.656) 5.166 11.964 ( -2.989 -2.469 8.200) 9.070 12.307 ( 3.719 -2.380 -8.181) 9.297 13.689 ( 4.204 8.265 7.312) 11.809 13.750 ( 2.629 7.157 -4.832) 9.027 14.525 ( 0.831 -1.479 0.892) 1.917 14.731 ( 3.745 -4.342 -2.509) 6.259 ======================= Grid point 474 (245/251) ======================= q-point: (-0.10 -0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( -3.664 -7.482 -0.861) 8.375 1.755 ( -2.845 -2.315 8.023) 8.821 1.789 ( -2.257 7.609 -3.911) 8.848 1.942 ( -5.707 -2.110 -0.702) 6.125 2.253 ( 5.074 10.410 3.637) 12.139 2.401 ( 3.200 12.208 -2.347) 12.837 2.491 ( 8.625 1.458 0.788) 8.783 3.001 ( 0.115 -1.250 3.591) 3.804 3.092 ( -0.692 1.472 4.592) 4.871 3.338 ( 2.897 2.981 -1.279) 4.349 3.649 ( -3.128 2.519 8.647) 9.534 3.858 ( 2.201 -0.685 3.088) 3.854 3.983 ( 2.941 2.504 -0.882) 3.962 4.131 ( -0.398 -3.746 7.455) 8.353 4.164 ( 4.647 0.143 -7.937) 9.199 4.439 ( 0.633 0.148 1.015) 1.205 4.708 ( -0.429 -11.583 -1.871) 11.741 4.889 ( 5.571 -5.089 -8.829) 11.615 5.261 ( 1.236 7.005 -2.232) 7.455 5.480 ( -4.499 3.952 -3.370) 6.872 5.751 ( -4.917 7.212 -2.285) 9.023 6.027 ( -7.642 18.656 -6.281) 21.116 6.479 ( -7.107 2.148 -4.191) 8.526 6.634 ( -0.379 2.577 9.683) 10.027 6.806 ( 6.101 9.899 -9.285) 14.880 6.999 ( -9.720 -0.639 -2.898) 10.163 7.148 ( -1.923 0.006 -0.732) 2.058 7.393 ( 5.592 2.220 6.775) 9.061 7.676 ( -3.285 -2.381 0.443) 4.081 7.919 ( -4.086 1.595 -8.622) 9.674 8.179 ( -0.222 -8.986 4.701) 10.144 8.280 ( 3.614 3.860 8.557) 10.059 9.030 ( -1.351 6.008 0.694) 6.197 9.289 ( -5.103 -4.570 2.693) 7.360 10.210 ( 0.771 -5.071 -0.497) 5.153 10.362 ( 2.214 2.243 -0.570) 3.203 12.009 ( -3.122 -3.244 10.494) 11.419 12.353 ( 2.694 -1.737 -9.642) 10.161 13.596 ( 4.172 8.518 9.350) 13.319 13.619 ( 2.106 6.857 -6.634) 9.770 14.551 ( 0.404 -0.916 -0.006) 1.001 14.794 ( 2.248 -0.634 -3.507) 4.213 ======================= Grid point 482 (246/251) ======================= q-point: (-0.30 -0.30 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( -6.479 -0.000 8.576) 10.748 1.474 ( -11.613 -0.000 10.939) 15.954 1.947 ( 4.389 0.000 -0.476) 4.414 1.966 ( -4.106 -0.000 -1.681) 4.437 2.385 ( 9.104 0.000 4.579) 10.191 2.715 ( 7.734 0.000 5.801) 9.667 2.730 ( 1.167 0.000 4.044) 4.209 3.004 ( 8.745 0.000 -4.861) 10.005 3.262 ( -9.320 -0.000 14.666) 17.377 3.633 ( 6.665 0.000 0.366) 6.675 3.757 ( -4.089 -0.000 -1.196) 4.260 3.795 ( 0.263 0.000 11.655) 11.658 3.935 ( 0.721 0.000 6.994) 7.031 3.936 ( 3.325 0.000 -0.087) 3.326 4.132 ( -0.223 -0.000 -2.081) 2.092 4.224 ( 3.268 0.000 -4.302) 5.402 4.287 ( 2.483 0.000 -9.950) 10.255 4.451 ( 5.950 0.000 -12.537) 13.877 5.480 ( -8.931 -0.000 -6.129) 10.832 5.583 ( -3.712 -0.000 -3.763) 5.286 6.179 ( 0.673 0.000 0.512) 0.845 6.322 ( 4.330 0.000 4.979) 6.598 6.452 ( -8.441 -0.000 8.483) 11.967 6.913 ( -14.055 -0.000 7.257) 15.818 7.057 ( 0.634 0.000 -8.289) 8.314 7.160 ( -2.775 -0.000 15.397) 15.645 7.299 ( -1.012 -0.000 -12.806) 12.846 7.615 ( -5.368 -0.000 0.536) 5.395 7.795 ( -1.800 -0.000 -13.157) 13.279 8.248 ( -4.753 -0.000 6.286) 7.881 8.339 ( 4.538 0.000 6.462) 7.896 8.508 ( -0.692 -0.000 -3.389) 3.459 8.639 ( -4.795 -0.000 4.085) 6.299 8.924 ( 4.554 0.000 -11.439) 12.312 10.315 ( -1.799 -0.000 -2.848) 3.368 10.461 ( -2.958 -0.000 2.619) 3.951 11.918 ( -2.215 -0.000 5.510) 5.939 12.248 ( 3.469 0.000 -4.999) 6.085 13.855 ( 0.248 0.000 -4.919) 4.925 13.909 ( 6.972 0.000 6.548) 9.565 14.533 ( 5.194 0.000 -1.264) 5.345 14.561 ( 4.107 0.000 1.498) 4.372 ======================= Grid point 483 (247/251) ======================= q-point: (-0.20 -0.30 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( -3.818 -0.371 7.431) 8.363 1.481 ( -9.369 -7.386 12.609) 17.359 1.926 ( -3.951 0.393 -1.024) 4.101 1.959 ( 1.087 1.586 -0.125) 1.927 2.472 ( 11.917 0.983 4.520) 12.784 2.690 ( 3.977 5.748 4.932) 8.555 2.724 ( 4.073 6.158 1.458) 7.526 3.043 ( 8.939 2.101 -4.686) 10.309 3.198 ( -9.200 2.300 14.071) 16.968 3.557 ( 1.075 10.019 0.894) 10.116 3.761 ( 0.991 -2.126 1.540) 2.806 3.839 ( -1.047 -0.686 6.618) 6.735 3.899 ( 1.370 1.450 5.540) 5.888 4.051 ( 4.228 -5.253 0.302) 6.750 4.144 ( 2.068 -1.254 -3.503) 4.257 4.262 ( 2.939 -4.246 -5.453) 7.510 4.380 ( 2.701 -6.622 -2.921) 7.726 4.547 ( 4.442 -8.241 -11.494) 14.824 5.411 ( -11.068 -1.817 -4.156) 11.961 5.509 ( -2.659 3.830 -2.688) 5.382 6.125 ( -0.875 6.491 1.242) 6.666 6.315 ( -3.415 2.288 3.190) 5.204 6.439 ( -3.146 -1.350 3.546) 4.929 6.832 ( -6.732 -0.850 4.480) 8.131 7.031 ( -2.306 3.462 -3.617) 5.512 7.122 ( -2.455 4.095 7.370) 8.781 7.262 ( -1.900 -0.904 -4.878) 5.312 7.489 ( -12.053 7.438 -10.269) 17.494 7.748 ( 5.740 3.547 -4.549) 8.138 8.079 ( -3.671 12.014 6.687) 14.232 8.255 ( 2.310 9.470 -1.926) 9.936 8.437 ( -0.625 3.275 6.994) 7.748 8.832 ( -5.005 -16.948 0.776) 17.689 9.039 ( 0.769 -8.106 -8.942) 12.094 10.214 ( 0.498 6.844 -0.241) 6.867 10.452 ( -1.827 0.144 0.918) 2.050 11.925 ( -1.615 -1.176 6.369) 6.675 12.276 ( 1.790 -1.817 -6.686) 7.156 13.814 ( 0.838 4.052 -2.905) 5.056 13.912 ( 5.239 5.724 3.419) 8.480 14.547 ( 5.258 1.171 1.635) 5.630 14.674 ( 5.396 -5.092 -0.853) 7.468 ======================= Grid point 484 (248/251) ======================= q-point: (-0.10 -0.30 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( -1.715 -2.636 4.890) 5.814 1.602 ( -7.127 -9.704 12.817) 17.585 1.885 ( -4.457 0.344 -0.902) 4.560 1.901 ( -0.099 5.304 -3.571) 6.395 2.499 ( 7.887 9.005 7.504) 14.128 2.608 ( 5.837 7.799 -1.618) 9.875 2.633 ( 7.494 5.966 -1.321) 9.670 3.034 ( 1.728 4.337 1.692) 4.966 3.123 ( -2.347 1.134 8.419) 8.813 3.420 ( 0.371 5.364 -0.609) 5.412 3.730 ( 1.039 5.745 8.276) 10.128 3.847 ( -2.177 -1.141 2.851) 3.764 3.978 ( -1.493 -5.594 0.803) 5.845 4.097 ( 3.341 -0.225 2.329) 4.078 4.194 ( 5.912 -0.056 -8.131) 10.053 4.383 ( -0.106 -6.721 -2.495) 7.170 4.533 ( 3.368 -8.100 0.369) 8.780 4.745 ( 3.423 -11.676 -10.547) 16.103 5.340 ( -7.024 1.640 3.695) 8.104 5.445 ( -1.544 0.288 -3.816) 4.127 5.937 ( -3.141 12.981 2.798) 13.646 6.207 ( -5.717 7.760 -3.844) 10.377 6.412 ( -7.328 -0.332 0.172) 7.337 6.795 ( 0.990 9.597 4.284) 10.556 6.931 ( -7.688 4.452 -5.946) 10.690 7.008 ( 3.477 1.897 -0.932) 4.069 7.143 ( -8.074 10.388 -11.867) 17.718 7.352 ( -4.191 -7.441 2.486) 8.895 7.728 ( 4.365 7.261 3.204) 9.058 7.916 ( 0.370 2.183 1.458) 2.651 8.146 ( 1.943 3.664 -0.220) 4.154 8.385 ( -0.861 3.545 7.176) 8.050 9.051 ( -8.652 -8.820 4.066) 13.006 9.109 ( 0.775 -4.387 -7.288) 8.542 10.168 ( 2.945 -0.217 0.993) 3.116 10.421 ( -0.298 2.293 -0.107) 2.315 11.956 ( -1.787 -2.240 8.392) 8.867 12.310 ( 0.605 -2.466 -9.031) 9.381 13.729 ( 1.780 5.763 -1.201) 6.150 13.818 ( 3.702 9.111 2.676) 10.192 14.569 ( 3.998 1.087 1.970) 4.588 14.779 ( 3.655 -2.602 -3.115) 5.462 ======================= Grid point 493 (249/251) ======================= q-point: (-0.20 -0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.220 ( 1.048 0.000 8.845) 8.907 1.351 ( -9.696 -0.000 13.919) 16.963 1.896 ( -3.845 -0.000 0.343) 3.861 1.983 ( 0.537 0.000 0.632) 0.829 2.588 ( 13.914 0.000 3.542) 14.358 2.765 ( 2.764 0.000 -0.062) 2.765 2.817 ( 1.391 0.000 7.324) 7.455 3.121 ( 1.605 0.000 7.486) 7.656 3.208 ( 2.652 0.000 1.909) 3.268 3.664 ( -8.393 -0.000 2.792) 8.845 3.735 ( 4.143 0.000 3.825) 5.639 3.811 ( -2.468 -0.000 3.224) 4.060 3.939 ( 1.490 0.000 -9.970) 10.081 4.016 ( 8.029 0.000 2.714) 8.476 4.162 ( 2.832 0.000 2.952) 4.091 4.256 ( -1.714 -0.000 -10.270) 10.412 4.326 ( 7.458 0.000 11.320) 13.556 4.488 ( 4.618 0.000 -12.524) 13.348 5.288 ( -12.299 -0.000 -5.558) 13.497 5.503 ( -4.433 -0.000 -5.232) 6.857 6.179 ( -0.800 -0.000 0.330) 0.865 6.309 ( -6.078 -0.000 5.343) 8.093 6.448 ( 2.883 0.000 1.439) 3.223 6.731 ( -12.467 -0.000 8.486) 15.081 6.991 ( -4.128 -0.000 -8.921) 9.830 7.191 ( -1.359 -0.000 15.357) 15.417 7.259 ( 0.953 0.000 -7.550) 7.610 7.452 ( -10.556 -0.000 -8.279) 13.415 7.820 ( 6.920 0.000 -5.596) 8.900 8.214 ( -1.522 -0.000 7.645) 7.795 8.420 ( 1.184 0.000 8.073) 8.159 8.468 ( -2.400 -0.000 -3.371) 4.138 8.552 ( -6.313 -0.000 -1.073) 6.403 8.938 ( 1.920 0.000 -11.281) 11.443 10.302 ( 1.396 0.000 -3.402) 3.677 10.406 ( -5.111 -0.000 3.326) 6.098 11.920 ( -0.191 -0.000 5.850) 5.853 12.254 ( -0.060 -0.000 -6.170) 6.170 13.854 ( 1.351 0.000 -2.116) 2.511 13.997 ( 1.973 0.000 1.317) 2.372 14.627 ( 6.594 0.000 0.263) 6.599 14.667 ( 8.484 0.000 1.517) 8.618 ======================= Grid point 494 (250/251) ======================= q-point: (-0.10 -0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.224 ( 1.741 1.175 8.596) 8.848 1.405 ( -6.169 -8.205 13.548) 16.998 1.865 ( -2.935 0.647 0.618) 3.069 1.965 ( 0.049 2.354 -1.399) 2.739 2.686 ( 11.481 2.491 3.980) 12.404 2.752 ( 3.057 4.238 3.934) 6.541 2.779 ( 2.486 5.017 0.189) 5.602 3.110 ( -7.307 1.124 12.650) 14.652 3.193 ( 11.141 6.058 -5.462) 13.808 3.535 ( -5.403 7.885 4.173) 10.430 3.780 ( -0.987 -4.071 -3.255) 5.305 3.813 ( -0.160 -2.753 3.931) 4.801 3.911 ( -2.348 4.786 1.743) 5.608 4.137 ( 5.286 -0.376 -2.549) 5.880 4.187 ( 5.341 -5.057 -2.699) 7.834 4.267 ( 1.473 -3.799 -4.990) 6.442 4.463 ( 5.303 -4.714 7.175) 10.090 4.565 ( 2.743 -7.694 -8.368) 11.693 5.217 ( -11.202 -3.564 -1.470) 11.847 5.459 ( -2.450 0.124 -4.516) 5.139 6.105 ( -2.253 7.432 2.646) 8.205 6.248 ( -5.107 2.859 2.109) 6.221 6.410 ( -2.286 4.196 3.415) 5.873 6.754 ( -5.731 -8.262 0.388) 10.062 6.944 ( -6.222 1.316 -3.731) 7.373 7.114 ( -1.135 9.101 3.273) 9.738 7.234 ( -3.877 0.314 3.896) 5.505 7.292 ( -3.728 8.294 -14.641) 17.235 7.867 ( 10.379 0.687 -0.918) 10.442 8.072 ( -1.241 13.098 8.749) 15.799 8.276 ( 1.965 8.675 -3.122) 9.427 8.414 ( -4.875 1.314 4.701) 6.899 8.753 ( -4.677 -15.513 0.668) 16.217 9.005 ( -0.885 -6.771 -10.283) 12.344 10.242 ( 2.545 4.541 0.778) 5.263 10.411 ( -3.385 -1.779 0.490) 3.855 11.938 ( 0.191 -0.654 6.755) 6.789 12.252 ( -1.321 -1.743 -7.481) 7.795 13.829 ( 2.096 3.778 -0.637) 4.368 13.960 ( -0.096 4.652 0.638) 4.696 14.653 ( 6.561 2.395 2.114) 7.297 14.764 ( 6.339 -2.343 -1.688) 6.966 ======================= Grid point 504 (251/251) ======================= q-point: (-0.10 -0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( -5.628 -0.000 15.433) 16.427 1.312 ( 6.449 0.000 6.593) 9.222 1.857 ( -1.670 -0.000 1.437) 2.203 1.982 ( -0.207 -0.000 -0.899) 0.923 2.787 ( 6.699 0.000 1.528) 6.871 2.801 ( -6.659 -0.000 9.604) 11.687 2.858 ( 13.263 0.000 -3.562) 13.733 3.084 ( -7.362 -0.000 10.678) 12.970 3.360 ( 13.545 0.000 -7.345) 15.409 3.515 ( -12.503 -0.000 6.326) 14.012 3.779 ( -0.950 -0.000 1.404) 1.696 3.781 ( 0.624 0.000 3.198) 3.258 3.930 ( 1.759 0.000 -9.849) 10.004 4.133 ( -2.576 -0.000 -6.119) 6.639 4.217 ( 8.927 0.000 -3.551) 9.607 4.222 ( 3.116 0.000 2.866) 4.234 4.480 ( 3.564 0.000 16.068) 16.458 4.509 ( 4.110 0.000 -10.908) 11.656 5.094 ( -9.353 -0.000 -0.580) 9.371 5.405 ( -5.487 -0.000 -7.210) 9.061 6.168 ( -0.584 -0.000 1.791) 1.884 6.238 ( -5.006 -0.000 3.715) 6.234 6.484 ( 2.118 0.000 -1.619) 2.665 6.589 ( -9.686 -0.000 7.792) 12.431 6.900 ( -3.286 -0.000 -4.083) 5.241 7.214 ( -7.695 -0.000 -6.993) 10.398 7.214 ( -2.114 -0.000 12.057) 12.241 7.331 ( 3.743 0.000 -10.105) 10.776 7.944 ( 10.187 0.000 -0.585) 10.204 8.235 ( -3.769 -0.000 13.048) 13.581 8.388 ( -3.762 -0.000 -2.233) 4.375 8.424 ( -1.084 -0.000 -3.712) 3.867 8.514 ( 1.667 0.000 1.210) 2.060 8.894 ( -2.137 -0.000 -12.266) 12.450 10.326 ( 3.032 0.000 -3.613) 4.717 10.336 ( -5.515 -0.000 4.706) 7.250 11.953 ( 1.558 0.000 6.129) 6.324 12.208 ( -2.587 -0.000 -6.537) 7.030 13.884 ( 2.999 0.000 -0.300) 3.014 13.986 ( -3.310 -0.000 0.670) 3.378 14.722 ( 4.547 0.000 2.134) 5.022 14.803 ( 7.932 0.000 -2.592) 8.344 =================== 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 3/37800 10.0 441.815 648.794 531.459 0.000 29.148 0.000 3/37800 20.0 78.615 97.569 102.299 0.000 2.407 0.000 3/37800 30.0 30.926 36.810 40.199 0.000 0.465 0.000 3/37800 40.0 16.927 19.726 21.981 -0.000 0.113 0.000 3/37800 50.0 11.009 12.659 14.320 -0.000 0.006 0.000 3/37800 60.0 7.941 9.057 10.357 -0.000 -0.033 0.000 3/37800 70.0 6.133 6.962 8.021 -0.000 -0.048 0.000 3/37800 80.0 4.969 5.626 6.515 -0.000 -0.053 0.000 3/37800 90.0 4.168 4.714 5.479 -0.000 -0.053 0.000 3/37800 100.0 3.588 4.058 4.728 -0.000 -0.053 0.000 3/37800 110.0 3.151 3.565 4.162 -0.000 -0.051 0.000 3/37800 120.0 2.811 3.183 3.721 -0.000 -0.049 0.000 3/37800 130.0 2.540 2.877 3.369 -0.000 -0.047 0.000 3/37800 140.0 2.318 2.627 3.082 -0.000 -0.045 0.000 3/37800 150.0 2.133 2.419 2.842 -0.000 -0.044 0.000 3/37800 160.0 1.977 2.243 2.639 -0.000 -0.042 0.000 3/37800 170.0 1.843 2.091 2.465 -0.000 -0.040 0.000 3/37800 180.0 1.727 1.960 2.313 -0.000 -0.039 0.000 3/37800 190.0 1.625 1.845 2.181 -0.000 -0.037 0.000 3/37800 200.0 1.535 1.743 2.063 -0.000 -0.036 0.000 3/37800 210.0 1.455 1.653 1.958 -0.000 -0.035 0.000 3/37800 220.0 1.383 1.571 1.864 -0.000 -0.034 0.000 3/37800 230.0 1.319 1.498 1.779 -0.000 -0.032 0.000 3/37800 240.0 1.260 1.431 1.702 -0.000 -0.031 0.000 3/37800 250.0 1.206 1.370 1.631 -0.000 -0.030 0.000 3/37800 260.0 1.157 1.314 1.566 -0.000 -0.029 0.000 3/37800 270.0 1.112 1.263 1.506 -0.000 -0.028 0.000 3/37800 280.0 1.070 1.216 1.451 -0.000 -0.028 0.000 3/37800 290.0 1.032 1.172 1.400 -0.000 -0.027 0.000 3/37800 300.0 0.996 1.131 1.352 -0.000 -0.026 0.000 3/37800 310.0 0.962 1.093 1.308 -0.000 -0.025 0.000 3/37800 320.0 0.931 1.058 1.266 -0.000 -0.025 0.000 3/37800 330.0 0.902 1.024 1.227 -0.000 -0.024 0.000 3/37800 340.0 0.875 0.993 1.191 -0.000 -0.023 0.000 3/37800 350.0 0.849 0.964 1.156 -0.000 -0.023 0.000 3/37800 360.0 0.825 0.937 1.124 -0.000 -0.022 0.000 3/37800 370.0 0.802 0.911 1.093 -0.000 -0.022 0.000 3/37800 380.0 0.780 0.886 1.064 -0.000 -0.021 0.000 3/37800 390.0 0.760 0.863 1.037 -0.000 -0.021 0.000 3/37800 400.0 0.741 0.841 1.011 -0.000 -0.020 0.000 3/37800 410.0 0.722 0.820 0.986 -0.000 -0.020 0.000 3/37800 420.0 0.705 0.800 0.962 -0.000 -0.019 0.000 3/37800 430.0 0.688 0.781 0.940 -0.000 -0.019 0.000 3/37800 440.0 0.672 0.763 0.918 -0.000 -0.019 0.000 3/37800 450.0 0.657 0.745 0.898 -0.000 -0.018 0.000 3/37800 460.0 0.642 0.729 0.878 -0.000 -0.018 0.000 3/37800 470.0 0.629 0.713 0.859 -0.000 -0.017 0.000 3/37800 480.0 0.615 0.698 0.841 -0.000 -0.017 0.000 3/37800 490.0 0.603 0.684 0.824 -0.000 -0.017 0.000 3/37800 500.0 0.590 0.670 0.808 -0.000 -0.016 0.000 3/37800 510.0 0.579 0.657 0.792 -0.000 -0.016 0.000 3/37800 520.0 0.567 0.644 0.777 -0.000 -0.016 0.000 3/37800 530.0 0.557 0.631 0.762 -0.000 -0.016 0.000 3/37800 540.0 0.546 0.620 0.748 -0.000 -0.015 0.000 3/37800 550.0 0.536 0.608 0.734 -0.000 -0.015 0.000 3/37800 560.0 0.526 0.597 0.721 -0.000 -0.015 0.000 3/37800 570.0 0.517 0.587 0.708 -0.000 -0.015 0.000 3/37800 580.0 0.508 0.576 0.696 -0.000 -0.014 0.000 3/37800 590.0 0.499 0.567 0.684 -0.000 -0.014 0.000 3/37800 600.0 0.491 0.557 0.673 -0.000 -0.014 0.000 3/37800 610.0 0.483 0.548 0.662 -0.000 -0.014 0.000 3/37800 620.0 0.475 0.539 0.651 -0.000 -0.013 0.000 3/37800 630.0 0.467 0.530 0.641 -0.000 -0.013 0.000 3/37800 640.0 0.460 0.522 0.631 -0.000 -0.013 0.000 3/37800 650.0 0.453 0.514 0.621 -0.000 -0.013 0.000 3/37800 660.0 0.446 0.506 0.612 -0.000 -0.013 0.000 3/37800 670.0 0.439 0.498 0.602 -0.000 -0.012 0.000 3/37800 680.0 0.433 0.491 0.594 -0.000 -0.012 0.000 3/37800 690.0 0.427 0.484 0.585 -0.000 -0.012 0.000 3/37800 700.0 0.420 0.477 0.577 -0.000 -0.012 0.000 3/37800 710.0 0.414 0.470 0.568 -0.000 -0.012 0.000 3/37800 720.0 0.409 0.463 0.561 -0.000 -0.012 0.000 3/37800 730.0 0.403 0.457 0.553 -0.000 -0.011 0.000 3/37800 740.0 0.398 0.451 0.545 -0.000 -0.011 0.000 3/37800 750.0 0.392 0.445 0.538 -0.000 -0.011 0.000 3/37800 760.0 0.387 0.439 0.531 -0.000 -0.011 0.000 3/37800 770.0 0.382 0.433 0.524 -0.000 -0.011 0.000 3/37800 780.0 0.377 0.428 0.517 -0.000 -0.011 0.000 3/37800 790.0 0.372 0.422 0.511 -0.000 -0.011 0.000 3/37800 800.0 0.368 0.417 0.504 -0.000 -0.010 0.000 3/37800 810.0 0.363 0.412 0.498 -0.000 -0.010 0.000 3/37800 820.0 0.359 0.407 0.492 -0.000 -0.010 0.000 3/37800 830.0 0.354 0.402 0.486 -0.000 -0.010 0.000 3/37800 840.0 0.350 0.397 0.480 -0.000 -0.010 0.000 3/37800 850.0 0.346 0.392 0.475 -0.000 -0.010 0.000 3/37800 860.0 0.342 0.388 0.469 -0.000 -0.010 0.000 3/37800 870.0 0.338 0.383 0.464 -0.000 -0.010 0.000 3/37800 880.0 0.334 0.379 0.459 -0.000 -0.010 0.000 3/37800 890.0 0.330 0.375 0.453 -0.000 -0.009 0.000 3/37800 900.0 0.327 0.370 0.448 -0.000 -0.009 0.000 3/37800 910.0 0.323 0.366 0.443 -0.000 -0.009 0.000 3/37800 920.0 0.319 0.362 0.439 -0.000 -0.009 0.000 3/37800 930.0 0.316 0.358 0.434 -0.000 -0.009 0.000 3/37800 940.0 0.313 0.355 0.429 -0.000 -0.009 0.000 3/37800 950.0 0.309 0.351 0.425 -0.000 -0.009 0.000 3/37800 960.0 0.306 0.347 0.420 -0.000 -0.009 0.000 3/37800 970.0 0.303 0.344 0.416 -0.000 -0.009 0.000 3/37800 980.0 0.300 0.340 0.412 -0.000 -0.009 0.000 3/37800 990.0 0.297 0.337 0.408 -0.000 -0.008 0.000 3/37800 1000.0 0.294 0.333 0.404 -0.000 -0.008 0.000 3/37800 Thermal conductivity related properties were written into "kappa-m10109.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:07:49]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|