----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 08:30:04]------------------------- 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 5.841718856789673 -3.290934664999999 0.000000000000000 b 5.841718856789673 3.290934664999999 0.000000000000000 c -3.835425805230985 0.000000000000000 7.336718248018350 Atomic positions (fractional): *1 B 0.92236026306061 0.07763973693939 0.25000000000000 10.811 2 B 0.07763973693939 0.92236026306061 0.75000000000000 10.811 *3 Na 0.18801803956159 0.61702386804634 0.99615669647347 22.990 4 Na 0.61702386804634 0.18801803956159 0.49615669647347 22.990 *5 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 6 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 7 Na 0.81198196043841 0.38297613195366 0.00384330352653 22.990 8 Na 0.38297613195366 0.81198196043841 0.50384330352653 22.990 *9 S 0.80422075814020 0.92403376982058 0.75132919894184 32.065 10 S 0.07596623017942 0.19577924185980 0.74867080105816 32.065 11 S 0.19577924185980 0.07596623017942 0.24867080105816 32.065 12 S 0.92403376982058 0.80422075814020 0.25132919894184 32.065 *13 S 0.35929950458436 0.64070049541564 0.75000000000000 32.065 14 S 0.64070049541564 0.35929950458436 0.25000000000000 32.065 -------------------------------- unit cell --------------------------------- Lattice vectors: a 11.683437713579346 0.000000000000000 0.000000000000000 b 0.000000000000000 6.581869329999998 0.000000000000000 c -3.835425805230985 0.000000000000000 7.336718248018350 Atomic positions (fractional): *1 B 0.00000000000000 0.07763973693939 0.25000000000000 10.811 > 1 2 B 0.00000000000000 0.92236026306061 0.75000000000000 10.811 > 2 3 B 0.50000000000000 0.57763973693939 0.25000000000000 10.811 > 1 4 B 0.50000000000000 0.42236026306061 0.75000000000000 10.811 > 2 *5 Na 0.40252095380396 0.21450291424237 0.99615669647347 22.990 > 3 6 Na 0.40252095380396 0.78549708575763 0.49615669647347 22.990 > 4 *7 Na 0.25000000000000 0.75000000000000 0.00000000000000 22.990 > 5 8 Na 0.25000000000000 0.25000000000000 0.50000000000000 22.990 > 6 9 Na 0.09747904619604 0.28549708575763 0.00384330352653 22.990 > 7 10 Na 0.09747904619604 0.71450291424237 0.50384330352653 22.990 > 8 11 Na 0.90252095380396 0.71450291424237 0.99615669647347 22.990 > 3 12 Na 0.90252095380396 0.28549708575763 0.49615669647347 22.990 > 4 13 Na 0.75000000000000 0.25000000000000 0.00000000000000 22.990 > 5 14 Na 0.75000000000000 0.75000000000000 0.50000000000000 22.990 > 6 15 Na 0.59747904619604 0.78549708575763 0.00384330352653 22.990 > 7 16 Na 0.59747904619604 0.21450291424237 0.50384330352653 22.990 > 8 *17 S 0.36412726398039 0.55990650584019 0.75132919894184 32.065 > 9 18 S 0.13587273601961 0.05990650584019 0.74867080105816 32.065 > 10 19 S 0.13587273601961 0.94009349415981 0.24867080105816 32.065 > 11 20 S 0.36412726398039 0.44009349415981 0.25132919894184 32.065 > 12 *21 S 0.00000000000000 0.64070049541564 0.75000000000000 32.065 > 13 22 S 0.00000000000000 0.35929950458436 0.25000000000000 32.065 > 14 23 S 0.86412726398039 0.05990650584019 0.75132919894184 32.065 > 9 24 S 0.63587273601961 0.55990650584019 0.74867080105816 32.065 > 10 25 S 0.63587273601961 0.44009349415981 0.24867080105816 32.065 > 11 26 S 0.86412726398039 0.94009349415981 0.25132919894184 32.065 > 12 27 S 0.50000000000000 0.14070049541564 0.75000000000000 32.065 > 13 28 S 0.50000000000000 0.85929950458436 0.25000000000000 32.065 > 14 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.683437713579346 0.000000000000000 0.000000000000000 b 0.000000000000000 13.163738659999996 0.000000000000000 c -7.670851610461970 0.000000000000000 14.673436496036700 Atomic positions (fractional): *1 B 0.00000000000000 0.03881986846969 0.12500000000000 10.811 > 1 2 B 0.00000000000000 0.53881986846969 0.12500000000000 10.811 > 1 3 B 0.00000000000000 0.03881986846969 0.62500000000000 10.811 > 1 4 B 0.00000000000000 0.53881986846969 0.62500000000000 10.811 > 1 5 B 0.00000000000000 0.46118013153031 0.37500000000000 10.811 > 2 6 B 0.00000000000000 0.96118013153031 0.37500000000000 10.811 > 2 7 B 0.00000000000000 0.46118013153031 0.87500000000000 10.811 > 2 8 B 0.00000000000000 0.96118013153031 0.87500000000000 10.811 > 2 9 B 0.50000000000000 0.28881986846969 0.12500000000000 10.811 > 1 10 B 0.50000000000000 0.78881986846969 0.12500000000000 10.811 > 1 11 B 0.50000000000000 0.28881986846969 0.62500000000000 10.811 > 1 12 B 0.50000000000000 0.78881986846969 0.62500000000000 10.811 > 1 13 B 0.50000000000000 0.21118013153030 0.37500000000000 10.811 > 2 14 B 0.50000000000000 0.71118013153031 0.37500000000000 10.811 > 2 15 B 0.50000000000000 0.21118013153030 0.87500000000000 10.811 > 2 16 B 0.50000000000000 0.71118013153031 0.87500000000000 10.811 > 2 *17 Na 0.40252095380396 0.10725145712119 0.49807834823673 22.990 > 3 18 Na 0.40252095380396 0.60725145712119 0.49807834823673 22.990 > 3 19 Na 0.40252095380396 0.10725145712119 0.99807834823673 22.990 > 3 20 Na 0.40252095380396 0.60725145712119 0.99807834823673 22.990 > 3 21 Na 0.40252095380396 0.39274854287881 0.24807834823673 22.990 > 4 22 Na 0.40252095380396 0.89274854287881 0.24807834823673 22.990 > 4 23 Na 0.40252095380396 0.39274854287881 0.74807834823673 22.990 > 4 24 Na 0.40252095380396 0.89274854287881 0.74807834823673 22.990 > 4 *25 Na 0.25000000000000 0.37500000000000 0.00000000000000 22.990 > 5 26 Na 0.25000000000000 0.87500000000000 0.00000000000000 22.990 > 5 27 Na 0.25000000000000 0.37500000000000 0.50000000000000 22.990 > 5 28 Na 0.25000000000000 0.87500000000000 0.50000000000000 22.990 > 5 29 Na 0.25000000000000 0.12500000000000 0.25000000000000 22.990 > 6 30 Na 0.25000000000000 0.62500000000000 0.25000000000000 22.990 > 6 31 Na 0.25000000000000 0.12500000000000 0.75000000000000 22.990 > 6 32 Na 0.25000000000000 0.62500000000000 0.75000000000000 22.990 > 6 33 Na 0.09747904619604 0.14274854287881 0.00192165176327 22.990 > 7 34 Na 0.09747904619604 0.64274854287881 0.00192165176327 22.990 > 7 35 Na 0.09747904619604 0.14274854287881 0.50192165176327 22.990 > 7 36 Na 0.09747904619604 0.64274854287881 0.50192165176327 22.990 > 7 37 Na 0.09747904619604 0.35725145712119 0.25192165176327 22.990 > 8 38 Na 0.09747904619604 0.85725145712119 0.25192165176327 22.990 > 8 39 Na 0.09747904619604 0.35725145712119 0.75192165176327 22.990 > 8 40 Na 0.09747904619604 0.85725145712119 0.75192165176327 22.990 > 8 41 Na 0.90252095380396 0.35725145712119 0.49807834823673 22.990 > 3 42 Na 0.90252095380396 0.85725145712119 0.49807834823673 22.990 > 3 43 Na 0.90252095380396 0.35725145712119 0.99807834823673 22.990 > 3 44 Na 0.90252095380396 0.85725145712119 0.99807834823673 22.990 > 3 45 Na 0.90252095380396 0.14274854287881 0.24807834823673 22.990 > 4 46 Na 0.90252095380396 0.64274854287881 0.24807834823673 22.990 > 4 47 Na 0.90252095380396 0.14274854287881 0.74807834823673 22.990 > 4 48 Na 0.90252095380396 0.64274854287881 0.74807834823673 22.990 > 4 49 Na 0.75000000000000 0.12500000000000 0.00000000000000 22.990 > 5 50 Na 0.75000000000000 0.62500000000000 0.00000000000000 22.990 > 5 51 Na 0.75000000000000 0.12500000000000 0.50000000000000 22.990 > 5 52 Na 0.75000000000000 0.62500000000000 0.50000000000000 22.990 > 5 53 Na 0.75000000000000 0.37500000000000 0.25000000000000 22.990 > 6 54 Na 0.75000000000000 0.87500000000000 0.25000000000000 22.990 > 6 55 Na 0.75000000000000 0.37500000000000 0.75000000000000 22.990 > 6 56 Na 0.75000000000000 0.87500000000000 0.75000000000000 22.990 > 6 57 Na 0.59747904619604 0.39274854287881 0.00192165176327 22.990 > 7 58 Na 0.59747904619604 0.89274854287881 0.00192165176327 22.990 > 7 59 Na 0.59747904619604 0.39274854287881 0.50192165176327 22.990 > 7 60 Na 0.59747904619604 0.89274854287881 0.50192165176327 22.990 > 7 61 Na 0.59747904619604 0.10725145712119 0.25192165176327 22.990 > 8 62 Na 0.59747904619604 0.60725145712119 0.25192165176327 22.990 > 8 63 Na 0.59747904619604 0.10725145712119 0.75192165176327 22.990 > 8 64 Na 0.59747904619604 0.60725145712119 0.75192165176327 22.990 > 8 *65 S 0.36412726398039 0.27995325292010 0.37566459947092 32.065 > 9 66 S 0.36412726398039 0.77995325292010 0.37566459947092 32.065 > 9 67 S 0.36412726398039 0.27995325292010 0.87566459947092 32.065 > 9 68 S 0.36412726398039 0.77995325292010 0.87566459947092 32.065 > 9 69 S 0.13587273601961 0.02995325292010 0.37433540052908 32.065 > 10 70 S 0.13587273601961 0.52995325292010 0.37433540052908 32.065 > 10 71 S 0.13587273601961 0.02995325292010 0.87433540052908 32.065 > 10 72 S 0.13587273601961 0.52995325292010 0.87433540052908 32.065 > 10 73 S 0.13587273601961 0.47004674707990 0.12433540052908 32.065 > 11 74 S 0.13587273601961 0.97004674707990 0.12433540052908 32.065 > 11 75 S 0.13587273601961 0.47004674707990 0.62433540052908 32.065 > 11 76 S 0.13587273601961 0.97004674707990 0.62433540052908 32.065 > 11 77 S 0.36412726398039 0.22004674707990 0.12566459947092 32.065 > 12 78 S 0.36412726398039 0.72004674707990 0.12566459947092 32.065 > 12 79 S 0.36412726398039 0.22004674707990 0.62566459947092 32.065 > 12 80 S 0.36412726398039 0.72004674707990 0.62566459947092 32.065 > 12 *81 S 0.00000000000000 0.32035024770782 0.37500000000000 32.065 > 13 82 S 0.00000000000000 0.82035024770782 0.37500000000000 32.065 > 13 83 S 0.00000000000000 0.32035024770782 0.87500000000000 32.065 > 13 84 S 0.00000000000000 0.82035024770782 0.87500000000000 32.065 > 13 85 S 0.00000000000000 0.17964975229218 0.12500000000000 32.065 > 14 86 S 0.00000000000000 0.67964975229218 0.12500000000000 32.065 > 14 87 S 0.00000000000000 0.17964975229218 0.62500000000000 32.065 > 14 88 S 0.00000000000000 0.67964975229218 0.62500000000000 32.065 > 14 89 S 0.86412726398039 0.02995325292010 0.37566459947092 32.065 > 9 90 S 0.86412726398039 0.52995325292010 0.37566459947092 32.065 > 9 91 S 0.86412726398039 0.02995325292010 0.87566459947092 32.065 > 9 92 S 0.86412726398039 0.52995325292010 0.87566459947092 32.065 > 9 93 S 0.63587273601961 0.27995325292010 0.37433540052908 32.065 > 10 94 S 0.63587273601961 0.77995325292010 0.37433540052908 32.065 > 10 95 S 0.63587273601961 0.27995325292010 0.87433540052908 32.065 > 10 96 S 0.63587273601961 0.77995325292010 0.87433540052908 32.065 > 10 97 S 0.63587273601961 0.22004674707990 0.12433540052908 32.065 > 11 98 S 0.63587273601961 0.72004674707990 0.12433540052908 32.065 > 11 99 S 0.63587273601961 0.22004674707990 0.62433540052908 32.065 > 11 100 S 0.63587273601961 0.72004674707990 0.62433540052908 32.065 > 11 101 S 0.86412726398039 0.47004674707990 0.12566459947092 32.065 > 12 102 S 0.86412726398039 0.97004674707990 0.12566459947092 32.065 > 12 103 S 0.86412726398039 0.47004674707990 0.62566459947092 32.065 > 12 104 S 0.86412726398039 0.97004674707990 0.62566459947092 32.065 > 12 105 S 0.50000000000000 0.07035024770782 0.37500000000000 32.065 > 13 106 S 0.50000000000000 0.57035024770782 0.37500000000000 32.065 > 13 107 S 0.50000000000000 0.07035024770782 0.87500000000000 32.065 > 13 108 S 0.50000000000000 0.57035024770782 0.87500000000000 32.065 > 13 109 S 0.50000000000000 0.42964975229218 0.12500000000000 32.065 > 14 110 S 0.50000000000000 0.92964975229218 0.12500000000000 32.065 > 14 111 S 0.50000000000000 0.42964975229218 0.62500000000000 32.065 > 14 112 S 0.50000000000000 0.92964975229218 0.62500000000000 32.065 > 14 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.0662213 0.0000000 -0.0566047 0.0000000 4.0365776 0.0000000 -0.0566132 0.0000000 3.3756509 -------------------------- Born effective charges -------------------------- 1 B 2.3614477 0.0000000 -0.1636551 0.0000000 2.2692733 0.0000000 -0.1184429 0.0000000 -0.1153972 2 B 2.3614477 0.0000000 -0.1636551 0.0000000 2.2692733 0.0000000 -0.1184429 0.0000000 -0.1153972 3 Na 1.0025157 0.1902479 0.0003579 0.1805971 1.1953155 -0.0027191 -0.0209437 0.0228098 1.1628795 4 Na 1.0025157 -0.1902479 0.0003579 -0.1805971 1.1953155 0.0027191 -0.0209437 -0.0228098 1.1628795 5 Na 1.2321539 -0.3317230 0.0923342 -0.3158822 0.8349792 -0.0512295 0.1220740 -0.0764639 1.1493631 6 Na 1.2321539 0.3317230 0.0923342 0.3158822 0.8349792 0.0512295 0.1220740 0.0764639 1.1493631 7 Na 1.0025157 0.1902479 0.0003579 0.1805971 1.1953155 -0.0027191 -0.0209437 0.0228098 1.1628795 8 Na 1.0025157 -0.1902479 0.0003579 -0.1805971 1.1953155 0.0027191 -0.0209437 -0.0228098 1.1628795 9 S -2.1914017 0.5704007 0.0168874 0.5243074 -1.4899676 0.0129162 0.0164382 -0.0028621 -1.1339212 10 S -2.1914017 -0.5704007 0.0168874 -0.5243074 -1.4899676 -0.0129162 0.0164382 0.0028621 -1.1339212 11 S -2.1914017 0.5704007 0.0168874 0.5243074 -1.4899676 0.0129162 0.0164382 -0.0028621 -1.1339212 12 S -2.1914017 -0.5704007 0.0168874 -0.5243074 -1.4899676 -0.0129162 0.0164382 0.0028621 -1.1339212 13 S -1.2158296 0.0000000 0.0368303 0.0000000 -2.5149483 0.0000000 0.0053798 0.0000000 -1.0918824 14 S -1.2158296 0.0000000 0.0368303 0.0000000 -2.5149483 0.0000000 0.0053798 0.0000000 -1.0918824 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 336/336 Permutation basis: 8592/8592 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1865 Number of blocks in projector: 1865 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: 410 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 378 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 378 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 233 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 233 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 233 Use standard eigh solver. Tree of FC basis block matrices: - (1865, 1829), data: False |-- (233, 228), data: True |-- (233, 228), data: True |-- (233, 228), data: True |-- (378, 372), data: True |-- (378, 372), data: True |-- (410, 401), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 480 - Time: 2.984 Solver_block: 200 / 480 - Time: 3.035 Solver_block: 300 / 480 - Time: 3.026 Solver_block: 400 / 480 - Time: 3.024 Solver_block: 480 / 480 - Time: 2.440 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.558 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 336/336 Permutation basis: 8592/8592 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1865 Number of blocks in projector: 1865 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: 410 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 378 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 378 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 233 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 233 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 233 Use standard eigh solver. Tree of FC basis block matrices: - (1865, 1829), data: False |-- (233, 228), data: True |-- (233, 228), data: True |-- (233, 228), data: True |-- (378, 372), data: True |-- (378, 372), data: True |-- (410, 401), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 08:30:39]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:30:39]------------------------- 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 5.841718856789673 -3.290934664999999 0.000000000000000 b 5.841718856789673 3.290934664999999 0.000000000000000 c -3.835425805230985 0.000000000000000 7.336718248018350 Atomic positions (fractional): 1 B 0.92236026306061 0.07763973693939 0.25000000000000 10.811 2 B 0.07763973693939 0.92236026306061 0.75000000000000 10.811 3 Na 0.18801803956159 0.61702386804634 0.99615669647347 22.990 4 Na 0.61702386804634 0.18801803956159 0.49615669647347 22.990 5 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 6 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 7 Na 0.81198196043841 0.38297613195366 0.00384330352653 22.990 8 Na 0.38297613195366 0.81198196043841 0.50384330352653 22.990 9 S 0.80422075814020 0.92403376982058 0.75132919894184 32.065 10 S 0.07596623017942 0.19577924185980 0.74867080105816 32.065 11 S 0.19577924185980 0.07596623017942 0.24867080105816 32.065 12 S 0.92403376982058 0.80422075814020 0.25132919894184 32.065 13 S 0.35929950458436 0.64070049541564 0.75000000000000 32.065 14 S 0.64070049541564 0.35929950458436 0.25000000000000 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.683437713579346 0.000000000000000 0.000000000000000 b 0.000000000000000 13.163738659999996 0.000000000000000 c -7.670851610461970 0.000000000000000 14.673436496036700 Atomic positions (fractional): 1 B 0.00000000000000 0.03881986846969 0.12500000000000 10.811 > 1 2 B 0.00000000000000 0.53881986846969 0.12500000000000 10.811 > 1 3 B 0.00000000000000 0.03881986846969 0.62500000000000 10.811 > 1 4 B 0.00000000000000 0.53881986846969 0.62500000000000 10.811 > 1 5 B 0.00000000000000 0.46118013153031 0.37500000000000 10.811 > 5 6 B 0.00000000000000 0.96118013153031 0.37500000000000 10.811 > 5 7 B 0.00000000000000 0.46118013153031 0.87500000000000 10.811 > 5 8 B 0.00000000000000 0.96118013153031 0.87500000000000 10.811 > 5 9 B 0.50000000000000 0.28881986846969 0.12500000000000 10.811 > 1 10 B 0.50000000000000 0.78881986846969 0.12500000000000 10.811 > 1 11 B 0.50000000000000 0.28881986846969 0.62500000000000 10.811 > 1 12 B 0.50000000000000 0.78881986846969 0.62500000000000 10.811 > 1 13 B 0.50000000000000 0.21118013153030 0.37500000000000 10.811 > 5 14 B 0.50000000000000 0.71118013153031 0.37500000000000 10.811 > 5 15 B 0.50000000000000 0.21118013153030 0.87500000000000 10.811 > 5 16 B 0.50000000000000 0.71118013153031 0.87500000000000 10.811 > 5 17 Na 0.40252095380396 0.10725145712119 0.49807834823673 22.990 > 17 18 Na 0.40252095380396 0.60725145712119 0.49807834823673 22.990 > 17 19 Na 0.40252095380396 0.10725145712119 0.99807834823673 22.990 > 17 20 Na 0.40252095380396 0.60725145712119 0.99807834823673 22.990 > 17 21 Na 0.40252095380396 0.39274854287881 0.24807834823673 22.990 > 21 22 Na 0.40252095380396 0.89274854287881 0.24807834823673 22.990 > 21 23 Na 0.40252095380396 0.39274854287881 0.74807834823673 22.990 > 21 24 Na 0.40252095380396 0.89274854287881 0.74807834823673 22.990 > 21 25 Na 0.25000000000000 0.37500000000000 0.00000000000000 22.990 > 25 26 Na 0.25000000000000 0.87500000000000 0.00000000000000 22.990 > 25 27 Na 0.25000000000000 0.37500000000000 0.50000000000000 22.990 > 25 28 Na 0.25000000000000 0.87500000000000 0.50000000000000 22.990 > 25 29 Na 0.25000000000000 0.12500000000000 0.25000000000000 22.990 > 29 30 Na 0.25000000000000 0.62500000000000 0.25000000000000 22.990 > 29 31 Na 0.25000000000000 0.12500000000000 0.75000000000000 22.990 > 29 32 Na 0.25000000000000 0.62500000000000 0.75000000000000 22.990 > 29 33 Na 0.09747904619604 0.14274854287881 0.00192165176327 22.990 > 33 34 Na 0.09747904619604 0.64274854287881 0.00192165176327 22.990 > 33 35 Na 0.09747904619604 0.14274854287881 0.50192165176327 22.990 > 33 36 Na 0.09747904619604 0.64274854287881 0.50192165176327 22.990 > 33 37 Na 0.09747904619604 0.35725145712119 0.25192165176327 22.990 > 37 38 Na 0.09747904619604 0.85725145712119 0.25192165176327 22.990 > 37 39 Na 0.09747904619604 0.35725145712119 0.75192165176327 22.990 > 37 40 Na 0.09747904619604 0.85725145712119 0.75192165176327 22.990 > 37 41 Na 0.90252095380396 0.35725145712119 0.49807834823673 22.990 > 17 42 Na 0.90252095380396 0.85725145712119 0.49807834823673 22.990 > 17 43 Na 0.90252095380396 0.35725145712119 0.99807834823673 22.990 > 17 44 Na 0.90252095380396 0.85725145712119 0.99807834823673 22.990 > 17 45 Na 0.90252095380396 0.14274854287881 0.24807834823673 22.990 > 21 46 Na 0.90252095380396 0.64274854287881 0.24807834823673 22.990 > 21 47 Na 0.90252095380396 0.14274854287881 0.74807834823673 22.990 > 21 48 Na 0.90252095380396 0.64274854287881 0.74807834823673 22.990 > 21 49 Na 0.75000000000000 0.12500000000000 0.00000000000000 22.990 > 25 50 Na 0.75000000000000 0.62500000000000 0.00000000000000 22.990 > 25 51 Na 0.75000000000000 0.12500000000000 0.50000000000000 22.990 > 25 52 Na 0.75000000000000 0.62500000000000 0.50000000000000 22.990 > 25 53 Na 0.75000000000000 0.37500000000000 0.25000000000000 22.990 > 29 54 Na 0.75000000000000 0.87500000000000 0.25000000000000 22.990 > 29 55 Na 0.75000000000000 0.37500000000000 0.75000000000000 22.990 > 29 56 Na 0.75000000000000 0.87500000000000 0.75000000000000 22.990 > 29 57 Na 0.59747904619604 0.39274854287881 0.00192165176327 22.990 > 33 58 Na 0.59747904619604 0.89274854287881 0.00192165176327 22.990 > 33 59 Na 0.59747904619604 0.39274854287881 0.50192165176327 22.990 > 33 60 Na 0.59747904619604 0.89274854287881 0.50192165176327 22.990 > 33 61 Na 0.59747904619604 0.10725145712119 0.25192165176327 22.990 > 37 62 Na 0.59747904619604 0.60725145712119 0.25192165176327 22.990 > 37 63 Na 0.59747904619604 0.10725145712119 0.75192165176327 22.990 > 37 64 Na 0.59747904619604 0.60725145712119 0.75192165176327 22.990 > 37 65 S 0.36412726398039 0.27995325292010 0.37566459947092 32.065 > 65 66 S 0.36412726398039 0.77995325292010 0.37566459947092 32.065 > 65 67 S 0.36412726398039 0.27995325292010 0.87566459947092 32.065 > 65 68 S 0.36412726398039 0.77995325292010 0.87566459947092 32.065 > 65 69 S 0.13587273601961 0.02995325292010 0.37433540052908 32.065 > 69 70 S 0.13587273601961 0.52995325292010 0.37433540052908 32.065 > 69 71 S 0.13587273601961 0.02995325292010 0.87433540052908 32.065 > 69 72 S 0.13587273601961 0.52995325292010 0.87433540052908 32.065 > 69 73 S 0.13587273601961 0.47004674707990 0.12433540052908 32.065 > 73 74 S 0.13587273601961 0.97004674707990 0.12433540052908 32.065 > 73 75 S 0.13587273601961 0.47004674707990 0.62433540052908 32.065 > 73 76 S 0.13587273601961 0.97004674707990 0.62433540052908 32.065 > 73 77 S 0.36412726398039 0.22004674707990 0.12566459947092 32.065 > 77 78 S 0.36412726398039 0.72004674707990 0.12566459947092 32.065 > 77 79 S 0.36412726398039 0.22004674707990 0.62566459947092 32.065 > 77 80 S 0.36412726398039 0.72004674707990 0.62566459947092 32.065 > 77 81 S 0.00000000000000 0.32035024770782 0.37500000000000 32.065 > 81 82 S 0.00000000000000 0.82035024770782 0.37500000000000 32.065 > 81 83 S 0.00000000000000 0.32035024770782 0.87500000000000 32.065 > 81 84 S 0.00000000000000 0.82035024770782 0.87500000000000 32.065 > 81 85 S 0.00000000000000 0.17964975229218 0.12500000000000 32.065 > 85 86 S 0.00000000000000 0.67964975229218 0.12500000000000 32.065 > 85 87 S 0.00000000000000 0.17964975229218 0.62500000000000 32.065 > 85 88 S 0.00000000000000 0.67964975229218 0.62500000000000 32.065 > 85 89 S 0.86412726398039 0.02995325292010 0.37566459947092 32.065 > 65 90 S 0.86412726398039 0.52995325292010 0.37566459947092 32.065 > 65 91 S 0.86412726398039 0.02995325292010 0.87566459947092 32.065 > 65 92 S 0.86412726398039 0.52995325292010 0.87566459947092 32.065 > 65 93 S 0.63587273601961 0.27995325292010 0.37433540052908 32.065 > 69 94 S 0.63587273601961 0.77995325292010 0.37433540052908 32.065 > 69 95 S 0.63587273601961 0.27995325292010 0.87433540052908 32.065 > 69 96 S 0.63587273601961 0.77995325292010 0.87433540052908 32.065 > 69 97 S 0.63587273601961 0.22004674707990 0.12433540052908 32.065 > 73 98 S 0.63587273601961 0.72004674707990 0.12433540052908 32.065 > 73 99 S 0.63587273601961 0.22004674707990 0.62433540052908 32.065 > 73 100 S 0.63587273601961 0.72004674707990 0.62433540052908 32.065 > 73 101 S 0.86412726398039 0.47004674707990 0.12566459947092 32.065 > 77 102 S 0.86412726398039 0.97004674707990 0.12566459947092 32.065 > 77 103 S 0.86412726398039 0.47004674707990 0.62566459947092 32.065 > 77 104 S 0.86412726398039 0.97004674707990 0.62566459947092 32.065 > 77 105 S 0.50000000000000 0.07035024770782 0.37500000000000 32.065 > 81 106 S 0.50000000000000 0.57035024770782 0.37500000000000 32.065 > 81 107 S 0.50000000000000 0.07035024770782 0.87500000000000 32.065 > 81 108 S 0.50000000000000 0.57035024770782 0.87500000000000 32.065 > 81 109 S 0.50000000000000 0.42964975229218 0.12500000000000 32.065 > 85 110 S 0.50000000000000 0.92964975229218 0.12500000000000 32.065 > 85 111 S 0.50000000000000 0.42964975229218 0.62500000000000 32.065 > 85 112 S 0.50000000000000 0.92964975229218 0.62500000000000 32.065 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.0662213 0.0000000 -0.0566047 0.0000000 4.0365776 0.0000000 -0.0566132 0.0000000 3.3756509 -------------------------- Born effective charges -------------------------- 1 B 2.3614477 0.0000000 -0.1636551 0.0000000 2.2692733 0.0000000 -0.1184429 0.0000000 -0.1153972 2 B 2.3614477 0.0000000 -0.1636551 0.0000000 2.2692733 0.0000000 -0.1184429 0.0000000 -0.1153972 3 Na 1.0025157 0.1902479 0.0003579 0.1805971 1.1953155 -0.0027191 -0.0209437 0.0228098 1.1628795 4 Na 1.0025157 -0.1902479 0.0003579 -0.1805971 1.1953155 0.0027191 -0.0209437 -0.0228098 1.1628795 5 Na 1.2321539 -0.3317230 0.0923342 -0.3158822 0.8349792 -0.0512295 0.1220740 -0.0764639 1.1493631 6 Na 1.2321539 0.3317230 0.0923342 0.3158822 0.8349792 0.0512295 0.1220740 0.0764639 1.1493631 7 Na 1.0025157 0.1902479 0.0003579 0.1805971 1.1953155 -0.0027191 -0.0209437 0.0228098 1.1628795 8 Na 1.0025157 -0.1902479 0.0003579 -0.1805971 1.1953155 0.0027191 -0.0209437 -0.0228098 1.1628795 9 S -2.1914017 0.5704007 0.0168874 0.5243074 -1.4899676 0.0129162 0.0164382 -0.0028621 -1.1339212 10 S -2.1914017 -0.5704007 0.0168874 -0.5243074 -1.4899676 -0.0129162 0.0164382 0.0028621 -1.1339212 11 S -2.1914017 0.5704007 0.0168874 0.5243074 -1.4899676 0.0129162 0.0164382 -0.0028621 -1.1339212 12 S -2.1914017 -0.5704007 0.0168874 -0.5243074 -1.4899676 -0.0129162 0.0164382 0.0028621 -1.1339212 13 S -1.2158296 0.0000000 0.0368303 0.0000000 -2.5149483 0.0000000 0.0053798 0.0000000 -1.0918824 14 S -1.2158296 0.0000000 0.0368303 0.0000000 -2.5149483 0.0000000 0.0053798 0.0000000 -1.0918824 ---------------------------------------------------------------------------- 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] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] Computing fc3[ 17, 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] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] Computing fc3[ 25, 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] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] Computing fc3[ 81, 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] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (xyx) -0.00000001 (xyx) -0.00000001 (xxy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xz) -0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 08:30:59]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:31:00]------------------------- 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 5.841718856789673 -3.290934664999999 0.000000000000000 b 5.841718856789673 3.290934664999999 0.000000000000000 c -3.835425805230985 0.000000000000000 7.336718248018350 Atomic positions (fractional): 1 B 0.92236026306061 0.07763973693939 0.25000000000000 10.811 2 B 0.07763973693939 0.92236026306061 0.75000000000000 10.811 3 Na 0.18801803956159 0.61702386804634 0.99615669647347 22.990 4 Na 0.61702386804634 0.18801803956159 0.49615669647347 22.990 5 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 6 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 7 Na 0.81198196043841 0.38297613195366 0.00384330352653 22.990 8 Na 0.38297613195366 0.81198196043841 0.50384330352653 22.990 9 S 0.80422075814020 0.92403376982058 0.75132919894184 32.065 10 S 0.07596623017942 0.19577924185980 0.74867080105816 32.065 11 S 0.19577924185980 0.07596623017942 0.24867080105816 32.065 12 S 0.92403376982058 0.80422075814020 0.25132919894184 32.065 13 S 0.35929950458436 0.64070049541564 0.75000000000000 32.065 14 S 0.64070049541564 0.35929950458436 0.25000000000000 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.683437713579346 0.000000000000000 0.000000000000000 b 0.000000000000000 13.163738659999996 0.000000000000000 c -7.670851610461970 0.000000000000000 14.673436496036700 Atomic positions (fractional): 1 B 0.00000000000000 0.03881986846969 0.12500000000000 10.811 > 1 2 B 0.00000000000000 0.53881986846969 0.12500000000000 10.811 > 1 3 B 0.00000000000000 0.03881986846969 0.62500000000000 10.811 > 1 4 B 0.00000000000000 0.53881986846969 0.62500000000000 10.811 > 1 5 B 0.00000000000000 0.46118013153031 0.37500000000000 10.811 > 5 6 B 0.00000000000000 0.96118013153031 0.37500000000000 10.811 > 5 7 B 0.00000000000000 0.46118013153031 0.87500000000000 10.811 > 5 8 B 0.00000000000000 0.96118013153031 0.87500000000000 10.811 > 5 9 B 0.50000000000000 0.28881986846969 0.12500000000000 10.811 > 1 10 B 0.50000000000000 0.78881986846969 0.12500000000000 10.811 > 1 11 B 0.50000000000000 0.28881986846969 0.62500000000000 10.811 > 1 12 B 0.50000000000000 0.78881986846969 0.62500000000000 10.811 > 1 13 B 0.50000000000000 0.21118013153030 0.37500000000000 10.811 > 5 14 B 0.50000000000000 0.71118013153031 0.37500000000000 10.811 > 5 15 B 0.50000000000000 0.21118013153030 0.87500000000000 10.811 > 5 16 B 0.50000000000000 0.71118013153031 0.87500000000000 10.811 > 5 17 Na 0.40252095380396 0.10725145712119 0.49807834823673 22.990 > 17 18 Na 0.40252095380396 0.60725145712119 0.49807834823673 22.990 > 17 19 Na 0.40252095380396 0.10725145712119 0.99807834823673 22.990 > 17 20 Na 0.40252095380396 0.60725145712119 0.99807834823673 22.990 > 17 21 Na 0.40252095380396 0.39274854287881 0.24807834823673 22.990 > 21 22 Na 0.40252095380396 0.89274854287881 0.24807834823673 22.990 > 21 23 Na 0.40252095380396 0.39274854287881 0.74807834823673 22.990 > 21 24 Na 0.40252095380396 0.89274854287881 0.74807834823673 22.990 > 21 25 Na 0.25000000000000 0.37500000000000 0.00000000000000 22.990 > 25 26 Na 0.25000000000000 0.87500000000000 0.00000000000000 22.990 > 25 27 Na 0.25000000000000 0.37500000000000 0.50000000000000 22.990 > 25 28 Na 0.25000000000000 0.87500000000000 0.50000000000000 22.990 > 25 29 Na 0.25000000000000 0.12500000000000 0.25000000000000 22.990 > 29 30 Na 0.25000000000000 0.62500000000000 0.25000000000000 22.990 > 29 31 Na 0.25000000000000 0.12500000000000 0.75000000000000 22.990 > 29 32 Na 0.25000000000000 0.62500000000000 0.75000000000000 22.990 > 29 33 Na 0.09747904619604 0.14274854287881 0.00192165176327 22.990 > 33 34 Na 0.09747904619604 0.64274854287881 0.00192165176327 22.990 > 33 35 Na 0.09747904619604 0.14274854287881 0.50192165176327 22.990 > 33 36 Na 0.09747904619604 0.64274854287881 0.50192165176327 22.990 > 33 37 Na 0.09747904619604 0.35725145712119 0.25192165176327 22.990 > 37 38 Na 0.09747904619604 0.85725145712119 0.25192165176327 22.990 > 37 39 Na 0.09747904619604 0.35725145712119 0.75192165176327 22.990 > 37 40 Na 0.09747904619604 0.85725145712119 0.75192165176327 22.990 > 37 41 Na 0.90252095380396 0.35725145712119 0.49807834823673 22.990 > 17 42 Na 0.90252095380396 0.85725145712119 0.49807834823673 22.990 > 17 43 Na 0.90252095380396 0.35725145712119 0.99807834823673 22.990 > 17 44 Na 0.90252095380396 0.85725145712119 0.99807834823673 22.990 > 17 45 Na 0.90252095380396 0.14274854287881 0.24807834823673 22.990 > 21 46 Na 0.90252095380396 0.64274854287881 0.24807834823673 22.990 > 21 47 Na 0.90252095380396 0.14274854287881 0.74807834823673 22.990 > 21 48 Na 0.90252095380396 0.64274854287881 0.74807834823673 22.990 > 21 49 Na 0.75000000000000 0.12500000000000 0.00000000000000 22.990 > 25 50 Na 0.75000000000000 0.62500000000000 0.00000000000000 22.990 > 25 51 Na 0.75000000000000 0.12500000000000 0.50000000000000 22.990 > 25 52 Na 0.75000000000000 0.62500000000000 0.50000000000000 22.990 > 25 53 Na 0.75000000000000 0.37500000000000 0.25000000000000 22.990 > 29 54 Na 0.75000000000000 0.87500000000000 0.25000000000000 22.990 > 29 55 Na 0.75000000000000 0.37500000000000 0.75000000000000 22.990 > 29 56 Na 0.75000000000000 0.87500000000000 0.75000000000000 22.990 > 29 57 Na 0.59747904619604 0.39274854287881 0.00192165176327 22.990 > 33 58 Na 0.59747904619604 0.89274854287881 0.00192165176327 22.990 > 33 59 Na 0.59747904619604 0.39274854287881 0.50192165176327 22.990 > 33 60 Na 0.59747904619604 0.89274854287881 0.50192165176327 22.990 > 33 61 Na 0.59747904619604 0.10725145712119 0.25192165176327 22.990 > 37 62 Na 0.59747904619604 0.60725145712119 0.25192165176327 22.990 > 37 63 Na 0.59747904619604 0.10725145712119 0.75192165176327 22.990 > 37 64 Na 0.59747904619604 0.60725145712119 0.75192165176327 22.990 > 37 65 S 0.36412726398039 0.27995325292010 0.37566459947092 32.065 > 65 66 S 0.36412726398039 0.77995325292010 0.37566459947092 32.065 > 65 67 S 0.36412726398039 0.27995325292010 0.87566459947092 32.065 > 65 68 S 0.36412726398039 0.77995325292010 0.87566459947092 32.065 > 65 69 S 0.13587273601961 0.02995325292010 0.37433540052908 32.065 > 69 70 S 0.13587273601961 0.52995325292010 0.37433540052908 32.065 > 69 71 S 0.13587273601961 0.02995325292010 0.87433540052908 32.065 > 69 72 S 0.13587273601961 0.52995325292010 0.87433540052908 32.065 > 69 73 S 0.13587273601961 0.47004674707990 0.12433540052908 32.065 > 73 74 S 0.13587273601961 0.97004674707990 0.12433540052908 32.065 > 73 75 S 0.13587273601961 0.47004674707990 0.62433540052908 32.065 > 73 76 S 0.13587273601961 0.97004674707990 0.62433540052908 32.065 > 73 77 S 0.36412726398039 0.22004674707990 0.12566459947092 32.065 > 77 78 S 0.36412726398039 0.72004674707990 0.12566459947092 32.065 > 77 79 S 0.36412726398039 0.22004674707990 0.62566459947092 32.065 > 77 80 S 0.36412726398039 0.72004674707990 0.62566459947092 32.065 > 77 81 S 0.00000000000000 0.32035024770782 0.37500000000000 32.065 > 81 82 S 0.00000000000000 0.82035024770782 0.37500000000000 32.065 > 81 83 S 0.00000000000000 0.32035024770782 0.87500000000000 32.065 > 81 84 S 0.00000000000000 0.82035024770782 0.87500000000000 32.065 > 81 85 S 0.00000000000000 0.17964975229218 0.12500000000000 32.065 > 85 86 S 0.00000000000000 0.67964975229218 0.12500000000000 32.065 > 85 87 S 0.00000000000000 0.17964975229218 0.62500000000000 32.065 > 85 88 S 0.00000000000000 0.67964975229218 0.62500000000000 32.065 > 85 89 S 0.86412726398039 0.02995325292010 0.37566459947092 32.065 > 65 90 S 0.86412726398039 0.52995325292010 0.37566459947092 32.065 > 65 91 S 0.86412726398039 0.02995325292010 0.87566459947092 32.065 > 65 92 S 0.86412726398039 0.52995325292010 0.87566459947092 32.065 > 65 93 S 0.63587273601961 0.27995325292010 0.37433540052908 32.065 > 69 94 S 0.63587273601961 0.77995325292010 0.37433540052908 32.065 > 69 95 S 0.63587273601961 0.27995325292010 0.87433540052908 32.065 > 69 96 S 0.63587273601961 0.77995325292010 0.87433540052908 32.065 > 69 97 S 0.63587273601961 0.22004674707990 0.12433540052908 32.065 > 73 98 S 0.63587273601961 0.72004674707990 0.12433540052908 32.065 > 73 99 S 0.63587273601961 0.22004674707990 0.62433540052908 32.065 > 73 100 S 0.63587273601961 0.72004674707990 0.62433540052908 32.065 > 73 101 S 0.86412726398039 0.47004674707990 0.12566459947092 32.065 > 77 102 S 0.86412726398039 0.97004674707990 0.12566459947092 32.065 > 77 103 S 0.86412726398039 0.47004674707990 0.62566459947092 32.065 > 77 104 S 0.86412726398039 0.97004674707990 0.62566459947092 32.065 > 77 105 S 0.50000000000000 0.07035024770782 0.37500000000000 32.065 > 81 106 S 0.50000000000000 0.57035024770782 0.37500000000000 32.065 > 81 107 S 0.50000000000000 0.07035024770782 0.87500000000000 32.065 > 81 108 S 0.50000000000000 0.57035024770782 0.87500000000000 32.065 > 81 109 S 0.50000000000000 0.42964975229218 0.12500000000000 32.065 > 85 110 S 0.50000000000000 0.92964975229218 0.12500000000000 32.065 > 85 111 S 0.50000000000000 0.42964975229218 0.62500000000000 32.065 > 85 112 S 0.50000000000000 0.92964975229218 0.62500000000000 32.065 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.0662213 0.0000000 -0.0566047 0.0000000 4.0365776 0.0000000 -0.0566132 0.0000000 3.3756509 -------------------------- Born effective charges -------------------------- 1 B 2.3614477 0.0000000 -0.1636551 0.0000000 2.2692733 0.0000000 -0.1184429 0.0000000 -0.1153972 2 B 2.3614477 0.0000000 -0.1636551 0.0000000 2.2692733 0.0000000 -0.1184429 0.0000000 -0.1153972 3 Na 1.0025157 0.1902479 0.0003579 0.1805971 1.1953155 -0.0027191 -0.0209437 0.0228098 1.1628795 4 Na 1.0025157 -0.1902479 0.0003579 -0.1805971 1.1953155 0.0027191 -0.0209437 -0.0228098 1.1628795 5 Na 1.2321539 -0.3317230 0.0923342 -0.3158822 0.8349792 -0.0512295 0.1220740 -0.0764639 1.1493631 6 Na 1.2321539 0.3317230 0.0923342 0.3158822 0.8349792 0.0512295 0.1220740 0.0764639 1.1493631 7 Na 1.0025157 0.1902479 0.0003579 0.1805971 1.1953155 -0.0027191 -0.0209437 0.0228098 1.1628795 8 Na 1.0025157 -0.1902479 0.0003579 -0.1805971 1.1953155 0.0027191 -0.0209437 -0.0228098 1.1628795 9 S -2.1914017 0.5704007 0.0168874 0.5243074 -1.4899676 0.0129162 0.0164382 -0.0028621 -1.1339212 10 S -2.1914017 -0.5704007 0.0168874 -0.5243074 -1.4899676 -0.0129162 0.0164382 0.0028621 -1.1339212 11 S -2.1914017 0.5704007 0.0168874 0.5243074 -1.4899676 0.0129162 0.0164382 -0.0028621 -1.1339212 12 S -2.1914017 -0.5704007 0.0168874 -0.5243074 -1.4899676 -0.0129162 0.0164382 0.0028621 -1.1339212 13 S -1.2158296 0.0000000 0.0368303 0.0000000 -2.5149483 0.0000000 0.0053798 0.0000000 -1.0918824 14 S -1.2158296 0.0000000 0.0368303 0.0000000 -2.5149483 0.0000000 0.0053798 0.0000000 -1.0918824 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (xyx) -0.00000001 (xyx) -0.00000001 (xxy) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 9 7 ] 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: 0.63, Number of G-points: 305, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/160) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 160 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 1.251 ( 0.000 0.000 0.000) 0.000 1.493 ( 0.000 0.000 0.000) 0.000 2.809 ( 0.000 0.000 0.000) 0.000 2.884 ( 0.000 0.000 0.000) 0.000 2.934 ( 0.000 0.000 0.000) 0.000 3.221 ( 0.000 0.000 0.000) 0.000 3.272 ( 0.000 0.000 0.000) 0.000 3.295 ( 0.000 0.000 0.000) 0.000 3.473 ( 0.000 0.000 0.000) 0.000 3.776 ( 0.000 0.000 0.000) 0.000 3.789 ( 0.000 0.000 0.000) 0.000 3.946 ( 0.000 0.000 0.000) 0.000 3.997 ( 0.000 0.000 0.000) 0.000 4.218 ( 0.000 0.000 0.000) 0.000 4.229 ( 0.000 0.000 0.000) 0.000 4.454 ( 0.000 0.000 0.000) 0.000 4.491 ( 0.000 0.000 0.000) 0.000 4.531 ( 0.000 0.000 0.000) 0.000 5.465 ( 0.000 0.000 0.000) 0.000 5.554 ( 0.000 0.000 0.000) 0.000 5.936 ( 0.000 0.000 0.000) 0.000 6.008 ( 0.000 0.000 0.000) 0.000 6.048 ( 0.000 0.000 0.000) 0.000 6.137 ( 0.000 0.000 0.000) 0.000 6.522 ( 0.000 0.000 0.000) 0.000 7.160 ( 0.000 0.000 0.000) 0.000 7.565 ( 0.000 0.000 0.000) 0.000 8.128 ( 0.000 0.000 0.000) 0.000 8.224 ( 0.000 0.000 0.000) 0.000 8.225 ( 0.000 0.000 0.000) 0.000 8.508 ( 0.000 0.000 0.000) 0.000 12.788 ( 0.000 0.000 0.000) 0.000 12.839 ( 0.000 0.000 0.000) 0.000 13.472 ( 0.000 0.000 0.000) 0.000 13.562 ( 0.000 0.000 0.000) 0.000 22.942 ( 0.000 0.000 0.000) 0.000 22.960 ( 0.000 0.000 0.000) 0.000 23.924 ( 0.000 0.000 0.000) 0.000 23.960 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/160) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.462 ( 7.315 -18.287 12.796) 23.487 0.549 ( 10.568 -22.109 12.477) 27.499 0.923 ( 25.740 -34.394 14.138) 45.225 1.358 ( -11.484 -4.922 3.856) 13.076 1.545 ( 12.103 2.684 -18.209) 22.029 2.708 ( -0.996 4.224 -5.012) 6.629 2.940 ( 0.854 -0.309 0.100) 0.913 3.039 ( 3.097 -4.050 6.620) 8.356 3.168 ( -3.760 0.889 6.232) 7.332 3.311 ( 5.157 -3.027 -5.896) 8.398 3.406 ( 5.006 3.240 8.061) 10.027 3.463 ( -0.057 0.729 0.763) 1.057 3.775 ( -1.999 -0.338 -4.716) 5.134 3.780 ( 1.733 0.520 -0.457) 1.866 3.952 ( 0.699 -0.759 0.316) 1.079 4.038 ( 3.288 0.257 -0.470) 3.332 4.193 ( -4.149 1.938 -1.570) 4.842 4.257 ( 1.184 4.276 1.891) 4.822 4.483 ( -2.109 -5.198 -2.203) 6.027 4.550 ( 1.461 -0.398 -0.604) 1.630 5.222 ( -13.302 -5.561 3.989) 14.959 5.480 ( 1.556 1.712 -1.336) 2.672 5.548 ( 3.739 1.004 -1.128) 4.033 5.944 ( -0.468 -0.388 -0.711) 0.935 6.031 ( -4.319 -1.190 -1.974) 4.896 6.153 ( 2.383 -0.078 0.782) 2.510 6.387 ( -9.164 -10.624 -30.396) 33.478 6.526 ( -0.699 -0.947 -2.023) 2.341 7.342 ( 2.673 13.274 32.109) 34.847 7.534 ( -6.750 4.334 4.153) 9.033 8.095 ( -2.594 2.051 0.143) 3.310 8.188 ( -2.579 1.005 -1.192) 3.014 8.309 ( 0.680 -1.167 1.730) 2.195 8.596 ( 10.269 8.527 4.058) 13.951 12.790 ( -0.170 0.157 0.102) 0.253 12.842 ( 0.255 -0.267 -0.426) 0.564 13.476 ( 0.826 0.145 -0.718) 1.104 13.560 ( -0.085 0.139 -0.145) 0.218 22.989 ( 3.687 -2.774 1.501) 4.852 23.513 ( -39.768 -25.983 -5.540) 47.826 24.000 ( 1.617 -3.935 -1.505) 4.513 24.566 ( 43.483 15.046 -19.785) 50.086 ======================= Grid point 2 (3/160) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.851 ( 4.708 -12.457 11.191) 17.395 1.053 ( 7.807 -19.471 10.717) 23.557 1.373 ( -2.188 -3.959 1.339) 4.718 1.533 ( 3.993 -3.399 -7.428) 9.092 1.778 ( 20.815 -29.182 13.720) 38.381 2.639 ( 1.498 1.654 -3.008) 3.746 2.816 ( -3.654 10.409 0.355) 11.037 3.163 ( -3.018 -2.970 9.968) 10.830 3.212 ( 5.619 -2.276 -2.893) 6.718 3.382 ( 2.459 -2.379 -8.220) 8.904 3.426 ( 5.890 3.035 4.095) 7.789 3.489 ( -0.978 -1.538 6.310) 6.568 3.703 ( -3.658 0.233 -7.230) 8.106 3.782 ( -0.841 -0.951 -2.934) 3.197 4.003 ( 2.024 -3.809 -0.262) 4.321 4.051 ( -6.601 -3.044 1.514) 7.425 4.127 ( -1.570 -1.142 -4.177) 4.606 4.236 ( 4.345 2.947 2.481) 5.807 4.533 ( 1.027 1.524 -2.875) 3.412 4.569 ( -1.100 -5.994 -0.697) 6.134 5.174 ( -6.297 3.050 6.201) 9.350 5.418 ( 1.327 4.589 -5.854) 7.555 5.610 ( 6.285 -0.915 2.433) 6.801 5.935 ( -4.261 -1.640 -1.530) 4.815 6.002 ( -3.688 -0.939 0.621) 3.856 6.174 ( 2.031 0.868 0.795) 2.347 6.325 ( -3.365 -2.664 -13.937) 14.583 6.511 ( -0.973 0.960 -0.964) 1.673 7.293 ( -0.385 7.312 13.473) 15.334 7.391 ( -7.145 5.529 2.168) 9.291 8.031 ( -2.187 2.599 0.740) 3.476 8.138 ( -2.250 1.428 -1.241) 2.940 8.330 ( 1.734 1.140 1.958) 2.853 8.556 ( 3.747 5.288 0.051) 6.481 12.787 ( 0.033 0.203 0.183) 0.275 12.847 ( 0.416 -0.314 -0.684) 0.860 13.478 ( 0.439 -0.044 -0.344) 0.560 13.555 ( -0.142 0.219 -0.229) 0.348 23.109 ( 6.434 -3.984 3.105) 8.180 23.553 ( -18.875 -14.926 -5.879) 24.771 24.095 ( 2.682 -5.473 -2.199) 6.479 24.647 ( 19.964 3.357 -7.534) 21.601 ======================= Grid point 3 (4/160) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( -0.163 -4.603 6.850) 8.254 1.321 ( -0.314 -2.438 0.495) 2.508 1.561 ( 7.561 -14.219 6.283) 17.287 1.683 ( 4.734 -11.775 -0.364) 12.697 2.410 ( 5.041 -15.009 10.034) 18.744 2.578 ( 0.950 8.240 2.297) 8.607 2.693 ( 4.851 -3.633 1.858) 6.339 3.139 ( 2.378 4.334 -3.678) 6.161 3.293 ( -0.347 -0.809 -4.742) 4.823 3.345 ( 2.619 8.749 2.699) 9.523 3.404 ( -3.025 -1.134 1.906) 3.751 3.520 ( 6.557 0.727 0.716) 6.636 3.695 ( -9.100 -5.601 -4.246) 11.498 3.797 ( 1.527 -3.974 -1.809) 4.626 4.047 ( -7.459 -4.315 0.365) 8.625 4.113 ( -0.351 -6.994 -0.332) 7.011 4.147 ( 1.513 -2.200 -3.070) 4.068 4.246 ( 6.107 3.421 2.529) 7.442 4.492 ( 1.846 2.433 -0.738) 3.142 4.662 ( -0.654 -5.905 -1.902) 6.238 5.074 ( -4.407 5.624 4.556) 8.474 5.309 ( -0.012 5.283 -5.151) 7.379 5.671 ( 2.057 0.243 1.012) 2.305 5.922 ( -1.401 -1.562 -1.113) 2.375 6.003 ( -3.286 -2.028 2.545) 4.625 6.163 ( 1.406 2.605 -0.157) 2.965 6.286 ( -0.216 -1.183 -7.365) 7.462 6.470 ( -1.152 2.112 -0.001) 2.406 7.205 ( -5.355 4.762 4.652) 8.544 7.288 ( -0.784 3.351 3.004) 4.568 7.983 ( -0.988 1.760 1.274) 2.387 8.089 ( -1.756 1.215 -1.489) 2.603 8.330 ( 1.167 1.314 2.084) 2.726 8.493 ( 0.923 4.047 -1.655) 4.469 12.787 ( 0.146 0.038 0.131) 0.200 12.852 ( 0.370 -0.212 -0.627) 0.758 13.482 ( 0.274 -0.093 -0.179) 0.341 13.549 ( -0.143 0.203 -0.210) 0.326 23.257 ( 7.347 -3.046 4.197) 8.993 23.587 ( -11.652 -9.445 -5.920) 16.125 24.198 ( 2.575 -4.507 -1.717) 5.468 24.741 ( 10.014 -0.334 -3.319) 10.555 ======================= Grid point 4 (5/160) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( -0.515 -1.397 2.361) 2.792 1.316 ( -0.319 0.488 -0.714) 0.922 1.873 ( 4.225 -9.252 1.368) 10.263 1.933 ( 5.329 -10.431 4.829) 12.670 2.263 ( -6.603 11.297 -2.996) 13.424 2.660 ( -0.201 -3.171 0.977) 3.324 2.950 ( 6.245 -4.396 15.485) 17.266 3.075 ( 2.356 1.927 -5.843) 6.589 3.192 ( -1.587 3.079 -4.023) 5.309 3.239 ( 0.559 3.185 -5.885) 6.715 3.452 ( -1.076 -1.647 1.994) 2.801 3.591 ( 7.934 0.945 4.271) 9.060 3.656 ( -9.578 -3.807 -4.506) 11.249 3.869 ( 2.667 -1.212 -0.560) 2.983 4.040 ( -4.777 -1.754 0.297) 5.097 4.164 ( -1.237 -1.674 -1.722) 2.702 4.186 ( 1.059 -0.651 -0.798) 1.478 4.292 ( 3.849 -1.048 1.598) 4.297 4.496 ( 2.224 0.112 1.235) 2.547 4.717 ( -1.259 -2.335 -1.841) 3.229 4.968 ( -2.217 3.687 1.711) 4.630 5.215 ( -0.430 2.554 -2.134) 3.356 5.666 ( -0.349 0.551 -0.082) 0.657 5.941 ( 0.523 -0.670 -0.031) 0.850 6.030 ( -1.830 -2.357 2.020) 3.603 6.120 ( 0.937 2.705 -1.096) 3.065 6.282 ( 0.487 -0.600 -2.367) 2.490 6.430 ( -0.661 1.204 0.258) 1.398 7.124 ( -2.353 1.589 1.154) 3.065 7.261 ( 0.096 1.084 1.212) 1.629 7.964 ( -0.176 0.564 0.768) 0.969 8.056 ( -0.698 0.440 -0.841) 1.178 8.335 ( 0.601 0.291 1.455) 1.601 8.434 ( -0.187 1.879 -1.452) 2.382 12.789 ( 0.088 -0.024 0.042) 0.101 12.855 ( 0.142 -0.069 -0.253) 0.298 13.484 ( 0.101 -0.046 -0.056) 0.124 13.545 ( -0.063 0.084 -0.086) 0.136 23.370 ( 4.239 -0.892 2.692) 5.100 23.591 ( -5.220 -3.526 -3.272) 7.099 24.265 ( 1.075 -1.751 -0.602) 2.141 24.802 ( 3.080 -0.510 -1.000) 3.279 ======================= Grid point 10 (6/160) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.550 ( 19.376 0.000 16.602) 25.516 0.628 ( 24.108 0.000 13.855) 27.806 1.052 ( 37.281 0.000 30.527) 48.185 1.235 ( -0.260 -0.000 -1.298) 1.324 1.568 ( 7.622 0.000 -22.640) 23.889 2.703 ( -1.198 -0.000 -7.773) 7.865 2.922 ( 1.964 0.000 0.204) 1.975 3.120 ( 6.645 0.000 12.572) 14.220 3.134 ( -9.660 -0.000 8.701) 13.001 3.300 ( 3.296 0.000 -8.143) 8.784 3.470 ( 2.264 0.000 -4.251) 4.816 3.551 ( -4.714 -0.000 5.065) 6.919 3.732 ( -0.925 -0.000 -8.237) 8.288 3.815 ( 2.755 0.000 2.275) 3.573 3.947 ( -0.068 -0.000 1.014) 1.017 4.159 ( 3.868 0.000 -5.389) 6.634 4.185 ( -9.707 -0.000 -5.479) 11.146 4.293 ( 1.035 0.000 2.209) 2.440 4.495 ( -3.734 -0.000 3.216) 4.928 4.614 ( 4.558 0.000 0.298) 4.568 4.783 ( 0.501 0.000 4.816) 4.842 5.439 ( -4.208 -0.000 -4.050) 5.840 5.602 ( 4.760 0.000 6.535) 8.084 5.939 ( -5.717 -0.000 -4.748) 7.431 6.026 ( 2.791 0.000 -2.384) 3.671 6.057 ( 8.967 0.000 -16.266) 18.573 6.216 ( 4.870 0.000 -3.723) 6.130 6.515 ( -0.477 -0.000 -0.468) 0.668 7.509 ( -7.422 -0.000 3.419) 8.172 7.578 ( -20.598 -0.000 28.167) 34.895 8.155 ( 1.354 0.000 1.808) 2.259 8.164 ( -2.448 -0.000 -0.785) 2.571 8.293 ( 2.201 0.000 2.467) 3.306 8.770 ( -7.584 -0.000 3.035) 8.168 12.788 ( -0.161 -0.000 0.244) 0.292 12.840 ( 0.421 0.000 -0.642) 0.768 13.483 ( 0.849 0.000 -1.565) 1.781 13.559 ( -0.178 -0.000 -0.288) 0.338 22.964 ( 1.858 0.000 -2.562) 3.165 23.031 ( 7.595 0.000 2.695) 8.059 23.984 ( 3.566 0.000 -2.318) 4.253 24.895 ( 19.000 0.000 -37.958) 42.448 ======================= Grid point 11 (7/160) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.823 ( 13.304 -4.534 13.565) 19.534 1.017 ( 16.301 -9.835 15.109) 24.305 1.276 ( 0.921 -4.491 2.256) 5.109 1.516 ( 5.636 0.275 -13.988) 15.083 1.701 ( 28.644 -16.966 23.055) 40.495 2.654 ( 1.722 0.654 -5.077) 5.401 2.897 ( -6.517 3.666 -2.158) 7.782 3.126 ( -2.639 -2.798 10.793) 11.458 3.251 ( 4.208 -0.543 6.247) 7.552 3.312 ( 2.178 -2.853 -6.120) 7.095 3.467 ( -0.564 -1.602 -1.464) 2.242 3.529 ( 2.355 -0.689 0.635) 2.535 3.643 ( -2.422 3.919 -9.700) 10.739 3.831 ( 4.026 4.407 -2.477) 6.462 3.968 ( 0.060 -0.749 0.712) 1.035 3.999 ( -6.665 3.337 1.405) 7.585 4.125 ( 3.996 2.684 -4.696) 6.724 4.324 ( 2.626 0.700 2.550) 3.727 4.464 ( 0.241 -2.348 3.534) 4.250 4.590 ( 3.495 2.328 -1.351) 4.411 5.069 ( -7.312 -13.783 3.338) 15.956 5.367 ( -6.156 -0.575 -7.683) 9.862 5.674 ( 4.766 1.493 5.765) 7.628 5.871 ( -3.634 -1.398 -3.694) 5.367 5.995 ( 2.242 2.064 -1.322) 3.322 6.137 ( 1.813 -5.045 -7.573) 9.279 6.237 ( 3.258 0.054 -4.572) 5.614 6.505 ( -0.838 0.210 -0.645) 1.078 7.403 ( -11.061 4.785 5.443) 13.224 7.463 ( -9.383 5.408 14.284) 17.925 8.104 ( 1.437 5.700 2.092) 6.240 8.131 ( -2.400 1.005 -0.743) 2.706 8.346 ( 0.766 -1.136 1.663) 2.155 8.655 ( -3.727 4.574 -1.065) 5.995 12.790 ( -0.082 -0.115 0.283) 0.316 12.843 ( 0.546 -0.238 -0.949) 1.120 13.482 ( 0.584 0.110 -0.761) 0.966 13.555 ( -0.239 0.101 -0.378) 0.458 23.122 ( -4.332 -14.867 -4.209) 16.047 23.153 ( 9.497 -2.306 3.426) 10.356 24.039 ( 4.436 -3.306 -2.942) 6.266 24.831 ( 13.112 4.981 -18.145) 22.934 ======================= Grid point 12 (8/160) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( 1.855 -3.330 6.025) 7.129 1.305 ( 2.384 -3.658 9.522) 10.475 1.489 ( 9.088 -10.235 8.692) 16.214 1.571 ( 11.188 -6.774 -4.601) 13.865 2.287 ( 12.573 -14.022 12.326) 22.508 2.674 ( -5.324 5.059 -1.962) 7.602 2.738 ( 7.584 -1.312 1.817) 7.908 3.197 ( -3.431 -0.817 3.680) 5.097 3.266 ( 1.501 2.250 -5.431) 6.067 3.341 ( 0.506 -4.235 -1.774) 4.619 3.439 ( -9.448 1.884 -11.266) 14.823 3.555 ( 1.461 0.171 4.382) 4.623 3.612 ( 5.772 2.590 4.739) 7.904 3.732 ( 1.174 -1.119 -2.649) 3.106 3.956 ( -0.575 -2.024 -2.671) 3.400 4.038 ( 0.223 -2.458 5.442) 5.976 4.132 ( 4.098 -0.835 -2.685) 4.969 4.343 ( 3.122 1.289 0.946) 3.508 4.553 ( 3.848 0.029 -0.896) 3.951 4.576 ( 1.359 -1.997 1.777) 2.999 5.118 ( -6.471 0.973 5.113) 8.305 5.273 ( -7.101 -1.042 -9.915) 12.240 5.677 ( -1.218 1.206 0.137) 1.720 5.901 ( 1.988 -2.573 1.338) 3.516 5.981 ( 0.659 0.929 0.594) 1.285 6.185 ( 0.143 -2.286 -2.048) 3.073 6.232 ( 2.461 0.291 -5.913) 6.411 6.482 ( -1.350 1.064 -0.462) 1.780 7.241 ( -8.566 4.980 3.870) 10.637 7.369 ( -5.056 4.268 7.785) 10.216 8.038 ( 0.786 4.344 1.814) 4.773 8.087 ( -1.693 1.265 -0.657) 2.214 8.355 ( -0.267 0.572 0.692) 0.937 8.546 ( -3.119 3.654 -2.492) 5.412 12.792 ( 0.292 0.070 0.313) 0.434 12.848 ( 0.538 -0.322 -1.055) 1.228 13.483 ( 0.403 -0.008 -0.390) 0.561 13.548 ( -0.241 0.116 -0.366) 0.454 23.257 ( -3.137 -8.567 -5.019) 10.413 23.341 ( 8.222 -6.473 4.832) 11.526 24.136 ( 3.844 -4.640 -2.851) 6.666 24.812 ( 7.790 1.594 -8.902) 11.936 ======================= Grid point 13 (9/160) ======================= q-point: ( 0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( -0.543 -2.821 1.620) 3.298 1.335 ( -1.193 1.393 4.163) 4.549 1.808 ( 7.737 -13.027 4.092) 15.694 1.836 ( 11.348 -6.810 6.349) 14.678 2.359 ( -7.525 9.420 -0.424) 12.064 2.609 ( 2.680 -5.543 0.051) 6.157 2.980 ( 5.721 -3.733 3.076) 7.492 3.128 ( -0.793 -0.818 -2.920) 3.135 3.178 ( 0.120 8.204 -10.935) 13.671 3.264 ( -8.443 -2.248 -3.183) 9.299 3.397 ( -1.740 2.574 4.528) 5.491 3.533 ( -0.764 -1.378 1.604) 2.249 3.672 ( 4.854 -2.764 1.057) 5.685 3.868 ( 4.074 -3.311 2.355) 5.754 3.980 ( 0.212 -2.620 2.247) 3.459 4.096 ( 0.418 -2.704 -1.010) 2.916 4.197 ( 4.835 -1.210 2.137) 5.423 4.350 ( 2.520 1.070 -0.455) 2.776 4.529 ( 1.759 2.694 -1.091) 3.397 4.687 ( 4.244 -3.671 2.400) 6.103 5.020 ( -5.656 4.998 3.683) 8.399 5.176 ( -5.986 -0.839 -7.710) 9.797 5.642 ( -2.871 -0.300 -1.622) 3.311 5.959 ( 2.965 0.151 0.504) 3.012 5.993 ( -0.462 -1.679 3.178) 3.624 6.174 ( 0.939 2.673 -1.757) 3.334 6.243 ( 0.557 -2.286 -3.098) 3.890 6.444 ( -1.343 1.431 -0.092) 1.965 7.133 ( -3.623 2.138 1.258) 4.391 7.300 ( -3.243 2.778 4.494) 6.199 7.990 ( -0.031 2.423 0.281) 2.440 8.059 ( -0.101 0.758 0.469) 0.897 8.340 ( -0.931 0.478 -1.049) 1.482 8.452 ( -2.841 2.433 -1.281) 3.953 12.796 ( 0.512 0.249 0.320) 0.653 12.852 ( 0.403 -0.229 -0.830) 0.951 13.485 ( 0.228 -0.013 -0.194) 0.300 13.544 ( -0.163 0.021 -0.247) 0.297 23.313 ( -3.891 -4.920 -5.162) 8.123 23.548 ( 9.286 -4.596 6.115) 12.031 24.224 ( 1.917 -3.627 -2.235) 4.671 24.817 ( 2.748 0.376 -4.441) 5.236 ======================= Grid point 14 (10/160) ======================= q-point: (-0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( -0.112 -0.914 -1.596) 1.843 1.328 ( -0.627 0.407 4.364) 4.427 1.957 ( 0.643 1.222 -2.514) 2.868 2.079 ( 3.853 9.901 2.905) 11.014 2.138 ( -0.401 -7.423 2.799) 7.943 2.723 ( 5.704 -0.456 0.685) 5.763 2.887 ( -6.541 2.948 -12.323) 14.259 3.016 ( -1.982 0.242 -8.608) 8.836 3.163 ( -4.629 -0.001 2.527) 5.274 3.277 ( -0.961 -1.424 5.634) 5.890 3.380 ( -2.620 -1.189 3.965) 4.899 3.543 ( -0.261 0.425 -3.199) 3.238 3.777 ( 5.277 -2.423 1.177) 5.925 3.873 ( -1.703 1.490 0.960) 2.458 4.085 ( 2.188 -2.470 5.131) 6.100 4.137 ( 1.595 -2.357 -2.686) 3.914 4.246 ( 6.477 3.287 1.830) 7.490 4.335 ( -1.230 2.950 1.419) 3.497 4.492 ( 1.467 2.381 -0.664) 2.875 4.789 ( 5.127 -0.360 3.189) 6.048 4.928 ( -3.396 0.512 1.015) 3.581 5.138 ( -3.572 -3.942 -3.444) 6.337 5.624 ( -3.145 -1.824 -1.803) 4.058 5.967 ( 1.877 1.107 0.006) 2.179 6.044 ( -0.195 -2.218 3.241) 3.932 6.122 ( 2.016 3.106 -3.346) 4.991 6.271 ( -1.045 -1.802 1.128) 2.369 6.419 ( -0.427 0.049 -0.233) 0.489 7.112 ( 0.779 -0.903 -1.043) 1.584 7.259 ( -1.771 1.165 2.455) 3.243 7.961 ( -0.108 0.581 -0.928) 1.100 8.064 ( 1.076 -0.121 1.540) 1.883 8.302 ( -2.908 0.104 -3.748) 4.745 8.419 ( -0.888 -0.347 1.630) 1.888 12.795 ( 0.396 0.463 0.265) 0.665 12.855 ( 0.191 -0.072 -0.373) 0.425 13.485 ( 0.041 0.071 -0.064) 0.104 13.543 ( -0.034 -0.142 -0.075) 0.164 23.299 ( -4.572 -1.224 -4.625) 6.618 23.723 ( 10.631 -0.924 6.659) 12.579 24.262 ( -0.652 -1.007 -1.301) 1.770 24.791 ( -2.222 1.513 -1.947) 3.319 ======================= Grid point 15 (11/160) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.089 ( 0.083 2.460 -3.816) 4.541 1.350 ( 0.245 -0.347 4.014) 4.037 1.771 ( -3.293 14.349 -4.960) 15.535 1.841 ( -1.818 13.950 -0.152) 14.069 2.374 ( 2.290 -11.143 1.868) 11.528 2.614 ( -3.753 16.171 -12.930) 21.042 2.731 ( 1.209 3.126 -0.794) 3.444 3.071 ( -2.414 -5.533 5.807) 8.376 3.165 ( -2.614 -5.473 -0.922) 6.135 3.299 ( -3.284 -4.378 -1.019) 5.567 3.393 ( -2.494 -0.185 0.784) 2.621 3.500 ( 2.351 3.056 0.274) 3.865 3.812 ( -2.792 3.117 1.034) 4.310 3.862 ( 4.794 0.008 0.230) 4.799 4.106 ( -6.478 -1.383 -4.177) 7.831 4.165 ( 1.474 0.352 1.860) 2.400 4.237 ( 7.514 6.154 0.243) 9.715 4.268 ( 2.380 5.606 5.461) 8.180 4.476 ( 1.447 1.372 1.086) 2.270 4.775 ( 0.317 5.076 2.450) 5.645 4.986 ( 1.821 -6.273 -2.026) 6.840 5.207 ( -1.354 -6.841 1.498) 7.133 5.605 ( -5.805 -1.379 -2.555) 6.491 5.977 ( 3.601 0.535 1.146) 3.817 6.067 ( 2.871 2.827 -1.259) 4.221 6.102 ( -1.285 -2.431 -0.590) 2.812 6.308 ( 0.026 -2.271 4.282) 4.847 6.434 ( 0.080 -2.072 -0.633) 2.168 7.148 ( 1.109 -2.594 -3.230) 4.289 7.263 ( 1.632 -1.222 1.370) 2.456 7.965 ( 1.001 -1.252 -0.799) 1.791 8.094 ( 1.539 -0.849 1.756) 2.484 8.264 ( -3.864 -1.691 -3.540) 5.506 8.441 ( -0.719 -1.779 1.474) 2.419 12.791 ( 0.169 0.483 0.126) 0.527 12.855 ( -0.049 0.099 0.067) 0.129 13.483 ( -0.095 0.154 0.028) 0.183 13.546 ( 0.052 -0.269 0.055) 0.279 23.228 ( -4.295 2.064 -3.366) 5.834 23.847 ( 13.036 3.155 6.114) 14.740 24.235 ( -2.662 1.660 0.035) 3.138 24.693 ( -7.815 3.892 -0.806) 8.768 ======================= Grid point 16 (12/160) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( -1.160 9.287 -4.464) 10.369 1.351 ( 2.853 11.127 -0.019) 11.487 1.422 ( -3.990 11.879 -1.151) 12.583 1.637 ( -0.901 7.954 0.078) 8.005 2.100 ( -8.308 29.919 -7.300) 31.898 2.556 ( -0.376 -8.187 -0.066) 8.195 2.735 ( 2.568 -1.860 1.134) 3.367 3.136 ( -0.698 -2.541 1.748) 3.163 3.255 ( -0.720 3.532 -4.858) 6.049 3.265 ( -3.319 -6.264 1.242) 7.197 3.431 ( -2.476 -3.774 0.494) 4.540 3.501 ( 3.914 2.416 1.618) 4.876 3.735 ( -2.325 0.950 2.407) 3.479 3.876 ( 6.450 3.953 -3.218) 8.221 4.008 ( -7.870 2.006 -0.667) 8.149 4.147 ( -0.892 3.282 1.139) 3.587 4.203 ( 2.873 3.566 -0.398) 4.597 4.240 ( 4.739 4.641 3.125) 7.332 4.497 ( 0.562 -2.140 1.026) 2.439 4.693 ( 0.144 5.794 1.739) 6.051 5.105 ( 2.764 -6.659 -3.255) 7.911 5.331 ( 0.258 -6.351 3.912) 7.463 5.530 ( -7.626 0.373 -3.124) 8.250 6.011 ( 2.886 2.110 0.849) 3.675 6.049 ( 3.761 0.285 -0.592) 3.818 6.121 ( -2.716 -1.889 -0.674) 3.377 6.401 ( 3.459 -3.369 6.102) 7.781 6.476 ( -0.669 -3.540 -0.775) 3.685 7.167 ( -1.223 -1.924 -4.039) 4.638 7.351 ( 4.032 -4.793 -0.209) 6.267 8.015 ( 2.545 -2.664 0.014) 3.684 8.137 ( 1.529 -1.473 1.385) 2.535 8.250 ( -4.080 -2.864 -2.670) 5.655 8.468 ( -1.617 -1.943 0.437) 2.566 12.786 ( 0.036 0.186 -0.009) 0.190 12.851 ( -0.148 0.236 0.223) 0.357 13.479 ( -0.136 0.187 0.076) 0.244 13.552 ( 0.055 -0.304 0.081) 0.320 23.125 ( -2.764 4.188 -1.692) 5.295 23.934 ( 16.571 5.948 3.937) 18.041 24.171 ( -1.974 3.106 1.840) 4.115 24.499 ( -14.771 5.928 -0.690) 15.931 ======================= Grid point 17 (13/160) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.713 ( -0.000 17.729 0.000) 17.729 0.949 ( -0.000 26.423 0.000) 26.423 1.381 ( -0.000 12.691 0.000) 12.691 1.463 ( -0.000 24.831 0.000) 24.831 1.543 ( -0.000 3.607 0.000) 3.607 2.650 ( 0.000 -4.202 -0.000) 4.202 2.843 ( 0.000 -7.724 -0.000) 7.724 3.139 ( -0.000 7.046 0.000) 7.046 3.163 ( 0.000 -0.112 -0.000) 0.112 3.344 ( 0.000 -2.894 -0.000) 2.894 3.398 ( -0.000 5.424 0.000) 5.424 3.460 ( -0.000 2.135 0.000) 2.135 3.764 ( 0.000 -1.179 -0.000) 1.179 3.842 ( -0.000 3.598 0.000) 3.598 3.939 ( 0.000 -0.602 -0.000) 0.602 4.079 ( -0.000 4.097 0.000) 4.097 4.183 ( 0.000 -1.286 -0.000) 1.286 4.220 ( -0.000 1.640 0.000) 1.640 4.540 ( 0.000 -1.549 -0.000) 1.549 4.600 ( -0.000 6.058 0.000) 6.058 5.226 ( 0.000 -6.161 -0.000) 6.161 5.452 ( -0.000 0.572 0.000) 0.572 5.455 ( 0.000 -5.297 -0.000) 5.297 5.980 ( -0.000 2.309 0.000) 2.309 6.087 ( -0.000 0.757 0.000) 0.757 6.115 ( 0.000 -1.283 -0.000) 1.283 6.487 ( 0.000 -1.803 -0.000) 1.803 6.559 ( 0.000 -5.696 -0.000) 5.696 7.159 ( 0.000 -0.305 -0.000) 0.305 7.468 ( 0.000 -6.024 -0.000) 6.024 8.081 ( 0.000 -2.639 -0.000) 2.639 8.181 ( 0.000 -1.949 -0.000) 1.949 8.264 ( 0.000 -2.722 -0.000) 2.722 8.483 ( 0.000 -1.268 -0.000) 1.268 12.786 ( 0.000 -0.209 -0.000) 0.209 12.847 ( -0.000 0.309 0.000) 0.309 13.475 ( -0.000 0.169 0.000) 0.169 13.558 ( 0.000 -0.254 -0.000) 0.254 23.031 ( -0.000 4.467 0.000) 4.467 23.969 ( -0.000 4.097 0.000) 4.097 24.173 ( 0.000 -0.075 -0.000) 0.075 24.211 ( -0.000 11.172 0.000) 11.172 ======================= Grid point 20 (14/160) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.047 ( 14.474 0.000 17.255) 22.522 1.080 ( 8.033 0.000 2.232) 8.338 1.325 ( 12.703 0.000 8.413) 15.236 1.490 ( 4.864 0.000 -14.190) 15.001 1.973 ( 27.459 0.000 25.835) 37.702 2.643 ( 1.900 0.000 -4.711) 5.080 2.831 ( -9.429 -0.000 -3.873) 10.193 3.130 ( -3.438 -0.000 8.491) 9.161 3.198 ( -6.043 -0.000 -3.238) 6.856 3.385 ( 7.886 0.000 11.037) 13.565 3.424 ( 2.375 0.000 -17.139) 17.303 3.510 ( -1.363 -0.000 0.428) 1.428 3.641 ( 1.402 0.000 -5.322) 5.503 3.884 ( 2.566 0.000 -1.987) 3.245 3.989 ( 1.395 0.000 7.198) 7.332 3.991 ( -2.143 -0.000 -5.801) 6.184 4.178 ( 4.296 0.000 -5.374) 6.880 4.378 ( 1.981 0.000 5.044) 5.419 4.491 ( -2.091 -0.000 6.893) 7.203 4.677 ( 2.601 0.000 -0.682) 2.689 4.816 ( 0.058 0.000 -0.171) 0.181 5.283 ( -6.150 -0.000 -4.957) 7.899 5.770 ( -6.367 -0.000 -5.360) 8.323 5.789 ( 6.377 0.000 6.810) 9.329 6.058 ( 3.198 0.000 -2.490) 4.053 6.070 ( 3.390 0.000 -4.637) 5.744 6.250 ( 2.305 0.000 -3.155) 3.907 6.497 ( -0.751 -0.000 -0.679) 1.012 7.366 ( -10.937 -0.000 4.037) 11.659 7.443 ( -13.798 -0.000 11.693) 18.086 8.114 ( -2.272 -0.000 -0.346) 2.298 8.194 ( 0.599 0.000 1.621) 1.728 8.349 ( 0.984 0.000 2.586) 2.767 8.615 ( -7.996 -0.000 -3.293) 8.648 12.788 ( -0.050 -0.000 0.309) 0.313 12.841 ( 0.529 0.000 -1.028) 1.157 13.484 ( 0.468 0.000 -0.758) 0.891 13.551 ( -0.309 -0.000 -0.467) 0.560 22.981 ( 3.163 0.000 -3.649) 4.829 23.260 ( 11.768 0.000 4.409) 12.567 24.043 ( 5.354 0.000 -3.428) 6.358 24.870 ( 7.401 0.000 -17.446) 18.951 ======================= Grid point 21 (15/160) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( 3.037 3.282 2.145) 4.959 1.310 ( 3.171 -4.761 13.663) 14.812 1.486 ( 10.686 -2.315 -6.077) 12.509 1.598 ( 15.392 -6.661 7.198) 18.250 2.327 ( 12.201 -3.815 13.209) 18.382 2.669 ( -7.894 3.014 -3.513) 9.151 2.739 ( 6.881 -5.987 1.775) 9.292 3.050 ( -13.873 -2.781 -7.922) 16.215 3.250 ( 0.596 -4.470 7.757) 8.973 3.313 ( 0.936 4.787 -11.228) 12.242 3.437 ( 1.824 3.336 -3.773) 5.356 3.581 ( 2.290 -1.551 6.733) 7.279 3.660 ( 6.262 -3.735 0.301) 7.297 3.831 ( 0.511 8.342 -3.605) 9.102 3.939 ( 1.889 0.280 -1.673) 2.539 4.057 ( 2.478 -0.699 5.478) 6.052 4.183 ( 5.929 1.601 -0.723) 6.184 4.381 ( 1.090 1.644 2.470) 3.161 4.546 ( 2.056 -3.285 6.433) 7.510 4.646 ( 4.127 3.437 -2.083) 5.761 4.944 ( -6.871 -10.499 -2.229) 12.744 5.189 ( -5.510 1.684 -3.922) 6.970 5.669 ( -5.070 1.319 -4.368) 6.821 5.897 ( 4.252 -2.059 4.894) 6.802 6.034 ( 2.752 2.523 -1.188) 3.918 6.128 ( 1.808 -3.024 -1.947) 4.025 6.246 ( 1.548 0.696 -3.511) 3.899 6.481 ( -0.909 0.576 -0.592) 1.228 7.245 ( -9.682 3.479 3.388) 10.832 7.371 ( -10.275 0.463 7.535) 12.750 8.082 ( -1.963 1.114 -0.613) 2.339 8.154 ( 0.964 4.934 2.233) 5.501 8.361 ( -0.571 0.646 0.666) 1.090 8.519 ( -6.432 0.598 -3.722) 7.455 12.794 ( 0.187 -0.356 0.284) 0.492 12.842 ( 0.478 -0.224 -1.087) 1.209 13.484 ( 0.376 -0.000 -0.495) 0.622 13.545 ( -0.313 0.033 -0.456) 0.554 23.060 ( 1.209 -7.067 -4.126) 8.273 23.415 ( 11.841 -2.268 5.217) 13.137 24.099 ( 4.804 -2.542 -3.316) 6.367 24.843 ( 4.721 0.965 -11.323) 12.305 ======================= Grid point 22 (16/160) ======================= q-point: ( 0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( 1.229 0.135 0.604) 1.376 1.366 ( -2.051 1.050 5.579) 6.036 1.712 ( 11.240 -9.946 1.602) 15.094 1.886 ( 10.668 -5.669 9.076) 15.110 2.451 ( -1.489 5.473 3.425) 6.626 2.518 ( -1.392 -4.516 -3.433) 5.841 2.901 ( -12.830 -2.945 -11.908) 17.751 3.015 ( 7.325 -7.262 3.052) 10.757 3.197 ( -1.455 3.366 -5.210) 6.371 3.324 ( 1.023 6.410 -2.117) 6.828 3.376 ( -0.462 -2.922 6.232) 6.899 3.618 ( 2.176 -0.229 -0.726) 2.306 3.655 ( -1.033 6.647 -1.644) 6.924 3.851 ( 4.554 -6.010 4.212) 8.637 3.988 ( 5.450 -1.027 2.300) 6.004 4.075 ( 0.138 0.297 -1.107) 1.155 4.267 ( 7.592 -1.014 7.989) 11.068 4.383 ( 2.613 1.229 0.280) 2.901 4.611 ( 4.150 3.976 -2.419) 6.236 4.676 ( 3.870 -4.619 4.536) 7.542 4.976 ( -8.333 -4.994 -4.066) 10.531 5.086 ( -4.916 3.031 -2.013) 6.116 5.590 ( -5.173 -0.160 -3.991) 6.536 5.979 ( 2.239 -1.277 3.778) 4.574 6.016 ( 1.949 1.793 -0.252) 2.660 6.178 ( 0.431 -1.956 -0.260) 2.020 6.225 ( 1.306 0.972 -3.322) 3.700 6.454 ( -1.037 1.269 -0.372) 1.680 7.136 ( -4.844 2.097 1.323) 5.442 7.309 ( -6.947 0.816 4.996) 8.596 8.032 ( -1.132 2.561 -1.066) 2.996 8.104 ( 1.248 3.272 2.632) 4.381 8.326 ( -2.378 1.092 -2.942) 3.937 8.443 ( -3.837 0.883 -0.953) 4.051 12.804 ( 0.497 -0.185 0.317) 0.618 12.846 ( 0.391 -0.364 -0.975) 1.112 13.486 ( 0.254 -0.016 -0.279) 0.377 13.540 ( -0.233 -0.029 -0.338) 0.411 23.159 ( -0.888 -6.406 -4.300) 7.766 23.608 ( 10.781 -4.173 6.210) 13.122 24.172 ( 2.727 -3.218 -3.014) 5.185 24.820 ( 1.979 0.474 -6.400) 6.716 ======================= Grid point 23 (17/160) ======================= q-point: ( 0.56 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( 0.470 -1.246 -0.618) 1.468 1.352 ( -1.449 0.897 4.293) 4.619 1.948 ( 3.986 -3.749 -1.470) 5.666 2.025 ( -0.359 -4.259 3.511) 5.531 2.347 ( 7.233 8.777 6.415) 13.058 2.675 ( 3.631 -9.826 0.286) 10.479 2.775 ( -8.428 -2.175 -9.430) 12.834 3.011 ( -1.885 6.176 -9.504) 11.490 3.105 ( -5.169 1.426 -4.169) 6.792 3.297 ( 0.641 1.747 6.585) 6.843 3.411 ( -1.170 0.886 3.558) 3.849 3.552 ( 1.939 1.470 0.913) 2.599 3.716 ( 0.836 -6.067 -1.620) 6.335 3.904 ( -0.014 2.605 1.191) 2.864 4.049 ( -0.041 -2.662 -3.141) 4.118 4.120 ( 2.785 -2.670 2.353) 4.519 4.363 ( 0.070 0.703 3.030) 3.111 4.418 ( 10.292 3.109 7.699) 13.224 4.576 ( 4.617 3.056 -1.380) 5.706 4.804 ( 3.916 -3.620 2.394) 5.846 4.945 ( -4.744 2.626 2.775) 6.091 4.995 ( -4.438 -3.601 -6.399) 8.580 5.539 ( -5.217 -1.899 -3.499) 6.562 6.002 ( 1.474 1.162 -0.119) 1.880 6.027 ( 0.094 -1.038 2.587) 2.789 6.177 ( 2.308 2.103 -2.942) 4.290 6.231 ( -1.052 -1.794 1.123) 2.364 6.422 ( -0.734 1.044 -0.214) 1.294 7.099 ( -0.571 -0.254 -0.550) 0.832 7.268 ( -3.494 0.457 3.400) 4.896 7.975 ( -0.510 2.146 -1.003) 2.423 8.093 ( 1.415 1.139 2.304) 2.934 8.255 ( -4.046 0.940 -4.499) 6.123 8.415 ( -0.912 -0.066 1.086) 1.420 12.809 ( 0.462 0.329 0.308) 0.646 12.852 ( 0.307 -0.306 -0.618) 0.754 13.486 ( 0.105 0.046 -0.127) 0.171 13.539 ( -0.100 -0.169 -0.164) 0.256 23.209 ( -1.835 -3.279 -3.430) 5.088 23.810 ( 9.627 -4.231 6.281) 12.249 24.216 ( -0.340 -2.082 -2.721) 3.443 24.790 ( -0.725 1.356 -3.122) 3.480 ======================= Grid point 24 (18/160) ======================= q-point: (-0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( -0.015 -0.037 -1.127) 1.128 1.360 ( -0.283 -0.494 2.763) 2.821 1.863 ( -2.683 6.154 -3.366) 7.510 2.085 ( -1.088 6.718 -0.228) 6.810 2.312 ( 5.910 2.954 5.218) 8.419 2.725 ( 0.194 2.615 -4.709) 5.390 2.822 ( -0.221 7.240 -5.458) 9.069 2.912 ( 2.663 -12.699 1.800) 13.099 3.062 ( -6.200 -5.121 -1.568) 8.192 3.218 ( -3.652 5.124 0.707) 6.332 3.409 ( -1.177 0.935 2.310) 2.755 3.578 ( 4.032 0.901 0.861) 4.220 3.818 ( 0.692 -6.058 -0.709) 6.138 3.837 ( -3.327 3.559 0.564) 4.904 4.048 ( -1.198 0.394 -3.414) 3.640 4.175 ( 0.697 -0.973 0.800) 1.440 4.348 ( 1.039 2.383 1.823) 3.175 4.438 ( 5.416 6.031 3.176) 8.705 4.572 ( 3.645 4.401 1.525) 5.914 4.850 ( -2.823 3.542 0.734) 4.589 4.895 ( 1.467 -4.134 0.209) 4.391 5.079 ( 0.344 -8.338 -0.134) 8.346 5.511 ( -4.712 -1.827 -2.674) 5.717 6.010 ( 2.115 -0.303 0.449) 2.183 6.051 ( -1.302 -1.467 0.708) 2.085 6.141 ( 2.108 3.325 -1.824) 4.339 6.267 ( -0.844 -3.118 1.746) 3.672 6.410 ( -0.216 -0.391 -0.260) 0.517 7.111 ( 0.262 -1.339 -1.197) 1.815 7.266 ( 0.025 -0.777 1.811) 1.971 7.951 ( 0.033 -0.241 -0.562) 0.612 8.111 ( 1.768 -0.056 2.103) 2.748 8.189 ( -3.848 -0.228 -3.472) 5.188 8.425 ( -0.072 -0.749 0.779) 1.083 12.804 ( 0.204 0.702 0.164) 0.749 12.855 ( 0.124 -0.064 -0.188) 0.234 13.485 ( 0.002 0.138 -0.030) 0.141 13.542 ( -0.007 -0.293 -0.029) 0.295 23.206 ( -1.566 -0.013 -1.827) 2.407 23.989 ( 9.265 -2.755 5.165) 10.960 24.203 ( -3.802 -0.141 -2.383) 4.489 24.716 ( -2.551 4.569 -1.270) 5.384 ======================= Grid point 25 (19/160) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( -0.000 3.538 0.000) 3.538 1.378 ( 0.000 -0.680 -0.000) 0.680 1.707 ( -0.000 11.535 0.000) 11.535 1.819 ( -0.000 17.564 0.000) 17.564 2.413 ( 0.000 -7.725 -0.000) 7.725 2.490 ( -0.000 20.933 0.000) 20.933 2.757 ( -0.000 1.721 0.000) 1.721 3.112 ( 0.000 -6.283 -0.000) 6.283 3.135 ( 0.000 -0.144 -0.000) 0.144 3.196 ( 0.000 -11.949 -0.000) 11.949 3.370 ( -0.000 2.157 0.000) 2.157 3.584 ( -0.000 2.320 0.000) 2.320 3.748 ( -0.000 3.189 0.000) 3.189 3.924 ( 0.000 -4.726 -0.000) 4.726 3.988 ( -0.000 3.974 0.000) 3.974 4.181 ( -0.000 0.918 0.000) 0.918 4.303 ( -0.000 4.735 0.000) 4.735 4.369 ( -0.000 6.144 0.000) 6.144 4.512 ( -0.000 3.417 0.000) 3.417 4.779 ( -0.000 4.102 0.000) 4.102 4.993 ( 0.000 -6.572 -0.000) 6.572 5.228 ( 0.000 -7.970 -0.000) 7.970 5.489 ( -0.000 0.227 0.000) 0.227 6.056 ( 0.000 -2.026 -0.000) 2.026 6.056 ( 0.000 -0.537 -0.000) 0.537 6.090 ( -0.000 2.800 0.000) 2.800 6.345 ( 0.000 -5.610 -0.000) 5.610 6.425 ( 0.000 -1.484 -0.000) 1.484 7.131 ( 0.000 -1.261 -0.000) 1.261 7.304 ( 0.000 -2.782 -0.000) 2.782 7.978 ( 0.000 -2.647 -0.000) 2.647 8.137 ( 0.000 -0.296 -0.000) 0.296 8.171 ( 0.000 -2.192 -0.000) 2.192 8.441 ( 0.000 -1.015 -0.000) 1.015 12.794 ( -0.000 0.644 0.000) 0.644 12.855 ( -0.000 0.132 0.000) 0.132 13.482 ( -0.000 0.198 0.000) 0.198 13.547 ( 0.000 -0.336 -0.000) 0.336 23.169 ( -0.000 2.675 0.000) 2.675 24.119 ( -0.000 3.604 0.000) 3.604 24.130 ( 0.000 -3.005 -0.000) 3.005 24.579 ( -0.000 8.917 0.000) 8.917 ======================= Grid point 30 (20/160) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( 0.612 0.000 -1.972) 2.065 1.360 ( -0.200 -0.000 12.041) 12.043 1.550 ( 15.020 0.000 -6.740) 16.463 1.725 ( 14.334 0.000 10.555) 17.801 2.418 ( 1.953 0.000 3.645) 4.135 2.571 ( -11.632 -0.000 -5.604) 12.912 2.813 ( 13.689 0.000 11.551) 17.911 2.837 ( -14.543 -0.000 -10.760) 18.091 3.274 ( 2.695 0.000 6.219) 6.778 3.338 ( 2.348 0.000 -4.969) 5.495 3.454 ( 2.182 0.000 -6.356) 6.720 3.625 ( 0.658 0.000 5.792) 5.830 3.654 ( 2.580 0.000 -3.428) 4.291 3.929 ( 0.439 0.000 -6.915) 6.929 3.934 ( 4.438 0.000 4.556) 6.360 4.108 ( 4.479 0.000 1.081) 4.608 4.263 ( 7.559 0.000 4.214) 8.654 4.444 ( -0.100 -0.000 3.718) 3.719 4.529 ( -2.221 -0.000 7.680) 7.995 4.718 ( 3.850 0.000 -2.026) 4.351 4.792 ( 0.239 0.000 -3.093) 3.102 5.136 ( -5.218 -0.000 -2.287) 5.697 5.590 ( -6.829 -0.000 -6.450) 9.393 5.951 ( 4.458 0.000 4.410) 6.271 6.091 ( 1.050 0.000 0.125) 1.057 6.100 ( 2.694 0.000 -0.575) 2.754 6.245 ( 0.915 0.000 -3.666) 3.779 6.477 ( -0.587 -0.000 -0.489) 0.764 7.198 ( -9.381 -0.000 2.371) 9.676 7.305 ( -9.471 -0.000 5.802) 11.107 8.072 ( -1.669 -0.000 -0.369) 1.709 8.201 ( -1.336 -0.000 0.765) 1.540 8.379 ( -0.107 -0.000 1.821) 1.824 8.434 ( -5.812 -0.000 -4.586) 7.403 12.792 ( 0.179 0.000 0.218) 0.282 12.839 ( 0.356 0.000 -0.948) 1.012 13.485 ( 0.298 0.000 -0.406) 0.504 13.540 ( -0.314 -0.000 -0.439) 0.540 23.009 ( 3.066 0.000 -2.935) 4.244 23.527 ( 10.662 0.000 4.346) 11.514 24.109 ( 4.588 0.000 -2.874) 5.414 24.832 ( 2.720 0.000 -9.445) 9.829 ======================= Grid point 31 (21/160) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( 0.699 1.582 -1.118) 2.060 1.388 ( -1.204 0.518 4.537) 4.722 1.706 ( 11.381 -4.548 0.767) 12.280 1.937 ( 9.720 -3.872 8.430) 13.436 2.409 ( -7.729 0.114 -6.299) 9.971 2.483 ( -0.556 -3.962 1.814) 4.393 2.677 ( -11.658 -2.083 -9.071) 14.918 3.020 ( 8.195 -2.556 8.342) 11.970 3.267 ( 2.217 4.667 -4.028) 6.551 3.352 ( 1.330 1.046 6.082) 6.313 3.432 ( 2.268 2.148 -3.645) 4.800 3.578 ( -2.434 0.269 -2.720) 3.659 3.751 ( 1.989 -3.314 -1.769) 4.251 3.825 ( -0.229 3.690 -0.843) 3.792 4.031 ( 3.955 -2.063 4.241) 6.155 4.110 ( 1.948 3.475 -2.431) 4.667 4.368 ( 5.704 1.097 7.103) 9.175 4.445 ( 4.439 -0.363 5.113) 6.781 4.619 ( -1.553 -6.386 4.129) 7.761 4.712 ( 5.645 3.432 -2.211) 6.967 4.825 ( 0.094 -3.073 -3.153) 4.404 5.073 ( -4.779 1.131 -0.346) 4.923 5.493 ( -7.486 -0.788 -6.409) 9.886 6.008 ( 2.682 -0.262 2.830) 3.908 6.066 ( 0.991 2.419 0.299) 2.631 6.153 ( 1.070 -2.058 0.613) 2.399 6.231 ( 0.623 0.375 -3.031) 3.117 6.463 ( -0.472 0.846 -0.311) 1.018 7.119 ( -5.511 0.971 1.078) 5.699 7.259 ( -6.702 -0.753 3.753) 7.718 8.047 ( -1.085 1.179 -0.519) 1.684 8.171 ( -1.113 1.833 1.129) 2.423 8.323 ( -1.943 3.304 -2.936) 4.828 8.407 ( -2.249 -0.948 -0.031) 2.441 12.801 ( 0.286 -0.600 0.169) 0.686 12.840 ( 0.240 -0.222 -0.731) 0.800 13.486 ( 0.200 -0.023 -0.246) 0.318 13.535 ( -0.230 -0.042 -0.315) 0.392 23.058 ( 1.579 -3.863 -2.399) 4.814 23.663 ( 8.221 -3.004 3.997) 9.622 24.146 ( 2.921 -1.383 -2.280) 3.955 24.809 ( 1.202 0.214 -5.845) 5.971 ======================= Grid point 32 (22/160) ======================= q-point: ( 0.56 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.083 ( 0.661 0.312 -0.469) 0.869 1.376 ( -0.991 1.408 2.405) 2.958 1.892 ( 4.969 -6.655 0.631) 8.329 2.036 ( 0.301 2.618 2.697) 3.770 2.389 ( -0.565 -8.585 -2.561) 8.977 2.598 ( -6.168 -2.627 -5.146) 8.452 2.637 ( 5.669 -6.944 6.806) 11.255 3.015 ( -3.736 6.026 -6.905) 9.898 3.155 ( 0.724 8.674 -1.239) 8.792 3.370 ( 1.219 0.165 3.830) 4.023 3.423 ( 0.457 0.486 2.111) 2.214 3.602 ( -0.711 -4.832 -2.096) 5.315 3.645 ( 0.612 6.407 -0.806) 6.486 3.927 ( 1.626 -5.307 1.854) 5.852 4.022 ( -0.631 4.751 -3.348) 5.846 4.110 ( 1.346 -2.256 2.061) 3.339 4.396 ( 1.036 0.762 2.310) 2.644 4.564 ( 5.236 -0.973 8.192) 9.771 4.651 ( 1.801 2.568 -3.654) 4.815 4.773 ( 3.536 -5.420 1.708) 6.693 4.857 ( 0.786 -1.807 -1.897) 2.735 4.996 ( -3.666 3.398 0.513) 5.025 5.428 ( -5.698 -2.564 -4.197) 7.527 6.034 ( 0.794 0.942 0.549) 1.348 6.037 ( 0.251 1.102 0.819) 1.396 6.190 ( 1.050 -1.295 -0.589) 1.768 6.218 ( -0.146 0.503 -0.316) 0.612 6.438 ( -0.329 1.452 -0.148) 1.496 7.085 ( -1.273 -0.265 -0.091) 1.304 7.240 ( -3.199 -1.034 2.051) 3.939 8.007 ( -0.437 2.280 -0.491) 2.373 8.146 ( 0.511 1.549 2.144) 2.694 8.230 ( -2.282 3.129 -3.526) 5.237 8.406 ( -0.741 -0.568 0.469) 1.045 12.814 ( 0.249 -0.353 0.141) 0.454 12.845 ( 0.148 -0.444 -0.403) 0.618 13.487 ( 0.082 -0.002 -0.101) 0.130 13.534 ( -0.095 -0.146 -0.137) 0.222 23.125 ( 0.062 -4.019 -1.557) 4.311 23.819 ( 5.049 -5.597 3.216) 8.195 24.176 ( 0.546 -1.176 -1.748) 2.176 24.789 ( 0.053 0.559 -2.414) 2.479 ======================= Grid point 33 (23/160) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( 0.000 -0.469 -0.000) 0.469 1.361 ( -0.000 0.297 0.000) 0.297 1.936 ( -0.000 4.839 0.000) 4.839 2.044 ( 0.000 -5.576 -0.000) 5.576 2.531 ( -0.000 8.098 0.000) 8.098 2.610 ( 0.000 -13.778 -0.000) 13.778 2.809 ( -0.000 4.092 0.000) 4.092 2.839 ( 0.000 -5.599 -0.000) 5.599 3.022 ( -0.000 5.572 0.000) 5.572 3.323 ( -0.000 7.009 0.000) 7.009 3.418 ( -0.000 0.396 0.000) 0.396 3.600 ( 0.000 -0.063 -0.000) 0.063 3.703 ( 0.000 -6.918 -0.000) 6.918 3.905 ( -0.000 5.542 0.000) 5.542 4.021 ( 0.000 -2.699 -0.000) 2.699 4.156 ( 0.000 -1.893 -0.000) 1.893 4.387 ( -0.000 1.473 0.000) 1.473 4.573 ( -0.000 5.649 0.000) 5.649 4.635 ( 0.000 -0.304 -0.000) 0.304 4.857 ( -0.000 0.322 0.000) 0.322 4.911 ( -0.000 3.519 0.000) 3.519 4.931 ( 0.000 -8.780 -0.000) 8.780 5.438 ( 0.000 -2.921 -0.000) 2.921 6.017 ( -0.000 0.367 0.000) 0.367 6.038 ( -0.000 0.040 0.000) 0.040 6.194 ( -0.000 2.064 0.000) 2.064 6.223 ( 0.000 -1.996 -0.000) 1.996 6.413 ( -0.000 0.961 0.000) 0.961 7.091 ( 0.000 -0.904 -0.000) 0.904 7.252 ( 0.000 -1.206 -0.000) 1.206 7.964 ( -0.000 1.997 0.000) 1.997 8.149 ( -0.000 0.536 0.000) 0.536 8.154 ( -0.000 1.751 0.000) 1.751 8.415 ( 0.000 -0.657 -0.000) 0.657 12.815 ( -0.000 0.348 0.000) 0.348 12.852 ( 0.000 -0.361 -0.000) 0.361 13.486 ( -0.000 0.069 0.000) 0.069 13.537 ( 0.000 -0.251 -0.000) 0.251 23.175 ( 0.000 -2.308 -0.000) 2.308 23.961 ( 0.000 -6.487 -0.000) 6.487 24.179 ( -0.000 0.158 0.000) 0.158 24.761 ( -0.000 2.222 0.000) 2.222 ======================= Grid point 40 (24/160) ======================= q-point: ( 0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.104 ( -0.212 -0.000 -1.064) 1.085 1.403 ( -0.193 -0.000 1.880) 1.890 1.761 ( 6.500 0.000 0.876) 6.558 2.044 ( 9.766 0.000 7.976) 12.609 2.306 ( -9.494 -0.000 -6.720) 11.632 2.403 ( -1.318 -0.000 -0.887) 1.589 2.536 ( -6.528 -0.000 -4.876) 8.148 3.130 ( 5.723 0.000 9.272) 10.896 3.297 ( 0.969 0.000 -2.045) 2.263 3.434 ( 2.274 0.000 -6.304) 6.702 3.463 ( 4.504 0.000 7.747) 8.961 3.588 ( -3.299 -0.000 -0.380) 3.320 3.630 ( -1.574 -0.000 -4.461) 4.730 3.860 ( -0.722 -0.000 -4.031) 4.095 4.060 ( 1.225 0.000 5.168) 5.311 4.153 ( 2.560 0.000 -3.899) 4.664 4.451 ( -0.792 -0.000 0.806) 1.130 4.499 ( 4.749 0.000 7.109) 8.550 4.543 ( -1.325 -0.000 2.255) 2.615 4.787 ( 3.995 0.000 -1.172) 4.163 4.837 ( 6.105 0.000 1.825) 6.372 5.040 ( -3.420 -0.000 0.060) 3.420 5.376 ( -7.403 -0.000 -6.330) 9.741 6.039 ( 1.609 0.000 1.452) 2.167 6.108 ( 0.024 0.000 0.962) 0.963 6.138 ( 1.022 0.000 0.289) 1.062 6.224 ( 0.263 0.000 -2.106) 2.123 6.467 ( -0.177 -0.000 -0.135) 0.223 7.083 ( -3.668 -0.000 0.593) 3.716 7.216 ( -3.488 -0.000 1.881) 3.963 8.047 ( -0.586 -0.000 -0.218) 0.625 8.165 ( -1.756 -0.000 -0.295) 1.781 8.336 ( -1.288 -0.000 -1.624) 2.073 8.387 ( -0.235 -0.000 0.631) 0.674 12.797 ( 0.134 0.000 0.075) 0.154 12.837 ( 0.114 0.000 -0.385) 0.402 13.486 ( 0.108 0.000 -0.131) 0.170 13.532 ( -0.137 -0.000 -0.182) 0.228 23.032 ( 1.278 0.000 -1.089) 1.680 23.710 ( 4.383 0.000 1.930) 4.789 24.151 ( 1.777 0.000 -1.095) 2.088 24.796 ( 0.502 0.000 -3.249) 3.288 ======================= Grid point 41 (25/160) ======================= q-point: ( 0.56 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( -0.000 0.642 0.000) 0.642 1.400 ( -0.000 0.962 0.000) 0.962 1.830 ( 0.000 -3.935 -0.000) 3.935 2.116 ( -0.000 3.467 0.000) 3.467 2.236 ( 0.000 -4.730 -0.000) 4.730 2.499 ( 0.000 -10.609 -0.000) 10.609 2.510 ( 0.000 -2.032 -0.000) 2.032 3.130 ( -0.000 6.512 0.000) 6.512 3.302 ( -0.000 2.939 0.000) 2.939 3.389 ( -0.000 6.542 0.000) 6.542 3.436 ( 0.000 -0.451 -0.000) 0.451 3.528 ( 0.000 -1.738 -0.000) 1.738 3.757 ( -0.000 0.842 0.000) 0.842 3.807 ( 0.000 -4.460 -0.000) 4.460 4.092 ( 0.000 -1.327 -0.000) 1.327 4.110 ( -0.000 4.982 0.000) 4.982 4.424 ( -0.000 1.500 0.000) 1.500 4.577 ( 0.000 -2.585 -0.000) 2.585 4.586 ( 0.000 -5.079 -0.000) 5.079 4.797 ( -0.000 1.242 0.000) 1.242 4.869 ( -0.000 1.106 0.000) 1.106 5.015 ( -0.000 1.097 0.000) 1.097 5.336 ( 0.000 -2.272 -0.000) 2.272 6.048 ( -0.000 0.301 0.000) 0.301 6.077 ( -0.000 2.620 0.000) 2.620 6.168 ( 0.000 -1.731 -0.000) 1.731 6.220 ( 0.000 -0.020 -0.000) 0.020 6.457 ( -0.000 0.948 0.000) 0.948 7.070 ( 0.000 -0.363 -0.000) 0.363 7.211 ( 0.000 -0.839 -0.000) 0.839 8.034 ( -0.000 1.190 0.000) 1.190 8.155 ( 0.000 -0.070 -0.000) 0.070 8.287 ( -0.000 4.157 0.000) 4.157 8.392 ( 0.000 -0.566 -0.000) 0.566 12.805 ( 0.000 -0.705 -0.000) 0.705 12.838 ( 0.000 -0.224 -0.000) 0.224 13.487 ( 0.000 -0.020 -0.000) 0.020 13.531 ( 0.000 -0.077 -0.000) 0.077 23.062 ( 0.000 -2.918 -0.000) 2.918 23.768 ( 0.000 -3.637 -0.000) 3.637 24.162 ( 0.000 -0.612 -0.000) 0.612 24.789 ( -0.000 0.153 0.000) 0.153 ======================= Grid point 83 (26/160) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.449 ( 9.037 0.000 22.188) 23.958 0.539 ( 6.978 0.000 26.679) 27.577 0.970 ( 6.590 0.000 48.760) 49.203 1.265 ( -2.407 -0.000 1.797) 3.004 1.786 ( -44.216 -0.000 -3.945) 44.392 2.632 ( -3.510 -0.000 -13.495) 13.944 2.777 ( 8.658 0.000 -11.350) 14.275 3.066 ( 8.823 0.000 7.260) 11.426 3.111 ( 1.158 0.000 -1.650) 2.016 3.463 ( -8.195 -0.000 9.491) 12.540 3.500 ( -4.541 -0.000 3.272) 5.597 3.585 ( 13.432 0.000 -3.927) 13.995 3.709 ( -4.399 -0.000 -7.258) 8.487 3.798 ( 9.004 0.000 -0.042) 9.004 3.940 ( 0.032 0.000 -0.881) 0.881 4.070 ( -8.111 -0.000 7.338) 10.938 4.265 ( 1.195 0.000 3.742) 3.928 4.366 ( -11.620 -0.000 -6.593) 13.360 4.373 ( 23.367 0.000 -0.764) 23.380 4.503 ( 6.737 0.000 -0.650) 6.768 4.535 ( -1.286 -0.000 0.040) 1.287 5.359 ( 2.352 0.000 -14.324) 14.516 5.548 ( 6.329 0.000 3.983) 7.478 6.037 ( -3.048 -0.000 2.219) 3.771 6.039 ( -5.574 -0.000 -0.887) 5.644 6.125 ( -14.189 -0.000 0.671) 14.205 6.167 ( -8.362 -0.000 -0.436) 8.373 6.496 ( 0.866 0.000 -2.581) 2.723 7.637 ( -0.217 -0.000 6.827) 6.830 8.128 ( 0.447 0.000 0.022) 0.448 8.197 ( -2.174 -0.000 -1.181) 2.474 8.249 ( -5.632 -0.000 -1.392) 5.801 8.264 ( 3.333 0.000 2.453) 4.138 8.612 ( 30.906 0.000 -1.964) 30.969 12.788 ( 0.267 0.000 0.049) 0.271 12.836 ( -0.005 -0.000 -0.307) 0.307 13.498 ( -3.181 -0.000 0.260) 3.191 13.560 ( -0.141 -0.000 -0.288) 0.320 22.943 ( 2.828 0.000 0.096) 2.829 22.959 ( -2.787 -0.000 -0.097) 2.789 23.926 ( -6.078 -0.000 -0.049) 6.078 23.957 ( -2.200 -0.000 -0.364) 2.229 ======================= Grid point 84 (27/160) ======================= q-point: ( 0.11 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.818 ( 3.663 -13.108 17.640) 22.280 0.910 ( 12.782 -15.486 20.600) 28.767 1.265 ( 4.924 -2.797 1.027) 5.755 1.474 ( -0.638 -15.568 21.191) 26.303 1.560 ( 0.172 -3.878 17.897) 18.314 2.545 ( 0.786 0.397 -11.160) 11.195 2.884 ( 8.681 -6.470 -8.800) 13.952 3.058 ( 1.666 4.893 -5.196) 7.329 3.156 ( 7.888 3.118 4.582) 9.640 3.404 ( -8.511 0.955 6.611) 10.820 3.498 ( -0.720 -0.106 3.394) 3.471 3.582 ( 0.704 0.892 4.072) 4.228 3.632 ( -4.972 -1.129 -6.711) 8.428 3.766 ( 2.054 3.863 -0.555) 4.410 3.952 ( 1.810 -0.422 -0.938) 2.082 4.062 ( -2.818 -0.298 2.257) 3.623 4.162 ( -9.255 0.711 -0.589) 9.301 4.297 ( 2.121 2.298 2.533) 4.024 4.450 ( 2.844 -1.383 -1.040) 3.329 4.535 ( 0.612 -0.346 -1.242) 1.427 5.002 ( 11.807 -19.903 -16.511) 28.428 5.287 ( 0.486 1.531 -14.633) 14.721 5.627 ( 6.131 1.098 6.246) 8.821 5.954 ( -8.244 -0.682 0.266) 8.276 6.004 ( -0.949 -1.066 0.034) 1.428 6.105 ( -7.887 -6.277 -1.975) 10.271 6.183 ( 1.523 -0.142 0.372) 1.574 6.492 ( 0.518 -0.156 -2.638) 2.693 7.600 ( -3.963 5.566 7.162) 9.898 7.868 ( -10.545 21.358 13.742) 27.499 8.101 ( -0.564 2.621 0.552) 2.737 8.165 ( -2.213 1.138 -1.186) 2.757 8.340 ( 1.594 -1.071 1.611) 2.506 8.614 ( 7.845 9.291 -2.403) 12.396 12.791 ( 0.136 0.081 0.014) 0.159 12.827 ( 0.038 0.189 -0.744) 0.768 13.479 ( -0.801 -0.019 0.760) 1.104 13.556 ( -0.213 0.088 -0.356) 0.424 23.019 ( 6.465 -3.089 1.622) 7.346 23.278 ( -17.747 -26.762 -13.866) 34.978 23.970 ( 1.906 -3.379 -1.077) 4.027 24.160 ( 28.127 -7.626 -11.148) 31.202 ======================= Grid point 85 (28/160) ======================= q-point: ( 0.22 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( -1.858 -7.311 6.895) 10.220 1.325 ( 5.745 -3.185 6.813) 9.464 1.397 ( 9.283 -11.706 12.911) 19.746 1.547 ( -6.135 -10.238 7.084) 13.879 2.163 ( 15.989 -20.896 23.211) 35.086 2.537 ( 5.771 -2.135 -7.021) 9.336 2.837 ( -6.312 9.308 1.505) 11.347 3.061 ( 8.393 0.280 -12.744) 15.262 3.212 ( 6.780 -2.467 -3.565) 8.048 3.352 ( -2.231 1.963 5.643) 6.377 3.465 ( -2.548 0.800 -3.493) 4.396 3.553 ( -4.607 0.685 -0.731) 4.715 3.654 ( -3.021 1.260 1.195) 3.485 3.743 ( 0.740 -4.186 3.568) 5.550 3.960 ( -2.607 -2.056 -3.140) 4.570 4.045 ( 0.293 -2.281 -3.104) 3.863 4.143 ( -5.246 -2.762 5.267) 7.930 4.303 ( 3.017 1.810 4.596) 5.788 4.477 ( 2.965 1.282 -2.156) 3.884 4.565 ( 0.688 -3.778 -0.414) 3.862 5.163 ( 3.811 0.062 -18.042) 18.441 5.204 ( 0.594 0.014 -3.488) 3.538 5.690 ( 3.614 0.824 4.879) 6.127 5.905 ( -5.492 -2.147 -1.029) 5.986 6.029 ( -0.452 -1.057 1.472) 1.868 6.132 ( -2.405 -4.896 -4.629) 7.154 6.188 ( 0.830 1.118 0.612) 1.521 6.480 ( 0.076 0.490 -2.383) 2.434 7.464 ( -7.879 7.335 4.763) 11.772 7.550 ( -4.915 14.442 11.234) 18.945 8.052 ( -0.578 2.896 1.354) 3.249 8.112 ( -1.983 1.828 -1.370) 3.025 8.361 ( 0.838 0.682 1.188) 1.606 8.525 ( 2.442 5.413 -3.021) 6.662 12.789 ( 0.195 0.258 0.017) 0.324 12.827 ( 0.422 -0.397 -1.164) 1.300 13.481 ( -0.230 -0.222 0.611) 0.689 13.550 ( -0.243 0.098 -0.309) 0.406 23.171 ( 8.179 -4.465 3.083) 9.815 23.398 ( -13.427 -14.819 -9.242) 22.029 24.069 ( 1.734 -6.163 -0.235) 6.407 24.451 ( 18.307 -6.499 -9.806) 21.761 ======================= Grid point 86 (29/160) ======================= q-point: ( 0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( -3.255 -2.405 1.156) 4.208 1.357 ( 1.568 1.719 1.678) 2.868 1.756 ( 7.513 -9.210 14.673) 18.883 1.802 ( 1.212 -14.441 11.005) 18.196 2.452 ( -2.006 2.787 -5.111) 6.157 2.629 ( -4.601 1.693 1.969) 5.284 2.832 ( 12.221 -13.107 8.636) 19.893 3.021 ( 2.792 1.056 -12.080) 12.443 3.155 ( 0.227 7.655 0.332) 7.666 3.360 ( -2.773 4.241 -1.429) 5.265 3.471 ( -4.713 -0.398 -1.551) 4.978 3.495 ( 5.247 -5.640 0.648) 7.731 3.616 ( -2.901 -0.993 -1.700) 3.506 3.852 ( 3.180 -1.966 5.216) 6.417 3.971 ( -0.728 -2.875 -4.844) 5.680 4.099 ( -0.069 -4.141 -1.399) 4.372 4.161 ( -0.495 -0.488 2.618) 2.709 4.342 ( 0.463 -0.937 7.127) 7.203 4.479 ( 3.370 0.640 -0.537) 3.473 4.640 ( 1.236 -3.579 -0.739) 3.858 5.079 ( 0.421 1.200 -11.438) 11.508 5.152 ( -0.271 4.866 -3.059) 5.754 5.694 ( -2.467 0.552 1.019) 2.726 5.924 ( 0.676 -1.864 1.190) 2.313 6.041 ( -1.006 -0.790 0.921) 1.576 6.146 ( -0.487 1.437 -1.297) 1.996 6.200 ( 1.507 -2.716 -0.604) 3.164 6.453 ( -0.277 1.319 -1.776) 2.230 7.268 ( -8.452 6.673 2.156) 10.983 7.393 ( -0.727 7.841 6.385) 10.138 8.007 ( -1.161 2.215 0.734) 2.606 8.065 ( -0.520 1.290 -0.431) 1.456 8.349 ( -0.937 0.780 -0.752) 1.432 8.454 ( 1.329 3.376 -1.666) 3.992 12.788 ( 0.351 0.176 -0.033) 0.394 12.835 ( 0.447 -0.670 -0.998) 1.283 13.486 ( -0.197 -0.239 0.659) 0.728 13.545 ( -0.214 0.021 -0.158) 0.267 23.316 ( 2.493 -4.210 0.267) 4.900 23.477 ( -2.330 -8.169 -3.373) 9.140 24.191 ( 0.925 -5.986 0.898) 6.124 24.642 ( 9.776 -5.235 -5.881) 12.552 ======================= Grid point 87 (30/160) ======================= q-point: ( 0.44 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( -1.959 0.569 -0.119) 2.044 1.348 ( 1.363 1.557 1.665) 2.656 1.980 ( 3.215 -3.032 9.811) 10.761 2.064 ( -1.233 -5.651 6.973) 9.060 2.228 ( -4.235 8.201 0.146) 9.231 2.657 ( 0.085 -1.403 -0.769) 1.602 2.877 ( -7.494 4.115 -15.490) 17.692 2.958 ( 1.545 -2.803 -5.822) 6.644 3.253 ( 0.407 3.740 -1.803) 4.172 3.284 ( 5.069 -6.295 12.490) 14.877 3.454 ( -3.152 -1.613 -0.285) 3.552 3.539 ( -6.076 -1.082 -6.983) 9.319 3.662 ( 7.865 -0.697 3.787) 8.756 3.926 ( -0.648 -1.267 3.461) 3.742 3.980 ( 8.601 2.580 -1.855) 9.169 4.143 ( -1.663 -2.892 -0.067) 3.337 4.191 ( 1.221 -0.889 0.789) 1.704 4.392 ( -1.058 0.032 6.678) 6.761 4.487 ( -1.866 0.159 -2.159) 2.858 4.702 ( 4.998 -0.946 0.545) 5.116 5.009 ( -2.370 3.220 0.238) 4.006 5.085 ( 2.291 -1.883 -8.786) 9.273 5.667 ( -2.603 -0.503 -0.079) 2.653 5.958 ( 0.015 -0.572 1.382) 1.495 6.033 ( 1.767 2.946 -1.470) 3.736 6.116 ( -2.110 -1.072 0.926) 2.541 6.270 ( 2.090 -2.961 1.269) 3.840 6.421 ( -0.233 1.015 -1.276) 1.647 7.131 ( -3.787 3.038 -0.400) 4.871 7.311 ( -0.324 4.379 3.380) 5.542 7.964 ( -1.263 1.166 -0.775) 1.886 8.059 ( 0.927 0.147 1.211) 1.532 8.311 ( -1.984 0.410 -3.406) 3.963 8.434 ( 1.239 0.343 1.129) 1.711 12.789 ( 0.369 0.176 -0.051) 0.412 12.846 ( 0.203 -0.685 -0.606) 0.937 13.491 ( -0.320 -0.161 0.725) 0.809 13.544 ( -0.118 -0.118 0.036) 0.171 23.345 ( -4.973 -2.662 -4.902) 7.473 23.594 ( 7.519 -1.478 3.542) 8.442 24.280 ( -1.045 -3.469 1.771) 4.033 24.756 ( 3.355 -3.462 -3.396) 5.897 ======================= Grid point 88 (31/160) ======================= q-point: (-0.44 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( -0.663 3.378 -0.071) 3.443 1.350 ( 1.824 1.200 0.921) 2.370 1.840 ( -6.897 15.859 -1.512) 17.360 1.976 ( -6.447 6.863 8.321) 12.567 2.344 ( 3.091 -7.610 5.221) 9.733 2.567 ( -4.123 6.123 -9.259) 11.841 2.722 ( -2.848 1.433 -4.958) 5.895 3.076 ( 2.797 -10.290 -3.844) 11.336 3.186 ( -1.464 3.439 -5.483) 6.636 3.383 ( -4.184 -1.811 1.594) 4.829 3.432 ( -1.578 2.166 3.117) 4.111 3.500 ( -1.749 -2.990 -2.052) 4.026 3.734 ( 5.247 1.772 1.920) 5.862 3.910 ( 0.143 2.903 2.305) 3.709 4.032 ( 8.698 3.153 2.704) 9.639 4.175 ( -2.697 -1.863 -0.654) 3.343 4.198 ( 1.466 0.703 0.870) 1.844 4.326 ( -4.800 5.502 2.120) 7.603 4.468 ( -0.450 -1.178 -0.287) 1.293 4.756 ( 4.090 2.071 1.580) 4.849 4.963 ( -0.852 0.209 0.734) 1.144 5.167 ( 4.050 -7.430 -5.587) 10.140 5.663 ( -1.871 -1.266 -1.091) 2.508 5.957 ( -0.163 1.021 0.978) 1.424 5.984 ( 1.813 2.760 -1.577) 3.659 6.140 ( -1.520 -2.399 0.858) 2.967 6.349 ( 1.020 -2.924 4.122) 5.155 6.413 ( 0.810 -0.998 -1.404) 1.903 7.089 ( 0.829 -0.287 -2.266) 2.430 7.271 ( 0.419 1.889 2.048) 2.818 7.944 ( -0.059 -0.244 -1.071) 1.100 8.081 ( 1.483 -0.447 1.551) 2.192 8.281 ( -1.837 -1.234 -3.411) 4.066 8.464 ( 0.389 -1.940 1.168) 2.298 12.787 ( 0.200 0.277 -0.108) 0.358 12.854 ( -0.108 -0.462 -0.337) 0.582 13.493 ( -0.497 -0.066 0.764) 0.913 13.547 ( -0.010 -0.243 0.174) 0.299 23.283 ( -5.913 0.497 -5.327) 7.974 23.678 ( 9.853 4.198 5.013) 11.825 24.299 ( -3.128 0.080 2.321) 3.896 24.787 ( -2.887 -1.753 -2.470) 4.184 ======================= Grid point 89 (32/160) ======================= q-point: (-0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( -1.194 6.269 2.406) 6.820 1.306 ( 0.689 8.874 -0.228) 8.904 1.492 ( -6.633 14.497 -0.378) 15.947 1.804 ( -8.480 6.755 8.767) 13.943 2.225 ( -10.621 17.907 -4.540) 21.309 2.557 ( -0.264 -8.791 -0.590) 8.814 2.707 ( 2.083 -1.627 2.376) 3.554 3.050 ( 0.354 5.502 -10.947) 12.257 3.226 ( 1.690 -4.095 -6.960) 8.250 3.365 ( -5.842 -2.626 -3.833) 7.465 3.421 ( -0.686 -0.923 4.432) 4.578 3.539 ( 1.290 -0.565 5.400) 5.581 3.735 ( 4.416 2.680 0.351) 5.178 3.863 ( -5.536 0.215 2.459) 6.061 4.065 ( 9.758 5.212 4.302) 11.870 4.105 ( -3.611 3.857 -2.448) 5.823 4.221 ( -2.002 3.917 1.878) 4.783 4.232 ( -0.259 -0.851 3.150) 3.273 4.497 ( -0.587 -3.045 -0.112) 3.103 4.711 ( 0.318 5.883 1.978) 6.215 4.984 ( 2.914 -1.678 -3.748) 5.036 5.314 ( 3.685 -7.110 -3.034) 8.564 5.627 ( -3.997 1.064 -4.982) 6.476 5.959 ( 0.402 0.695 1.870) 2.035 5.970 ( 3.638 0.137 0.441) 3.667 6.162 ( -1.731 -1.624 -0.041) 2.374 6.418 ( 0.979 -2.020 2.972) 3.724 6.471 ( 1.593 -4.224 2.234) 5.037 7.116 ( 2.292 -1.873 -3.373) 4.488 7.287 ( 3.439 -1.034 2.635) 4.454 7.964 ( 1.776 -1.663 -0.616) 2.510 8.116 ( 2.009 -0.858 1.282) 2.533 8.280 ( -1.991 -2.400 -2.905) 4.262 8.507 ( -1.231 -3.043 -0.146) 3.286 12.783 ( 0.108 0.191 -0.218) 0.310 12.855 ( -0.340 -0.057 -0.408) 0.535 13.492 ( -0.665 -0.077 0.807) 1.049 13.553 ( 0.032 -0.280 0.176) 0.332 23.174 ( -5.179 3.056 -4.178) 7.322 23.685 ( 11.809 9.735 4.164) 15.861 24.245 ( -4.304 3.353 2.473) 5.990 24.741 ( -10.147 -2.121 -3.589) 10.970 ======================= Grid point 90 (33/160) ======================= q-point: (-0.22 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.834 ( -4.348 13.696 7.550) 16.232 0.993 ( -4.976 21.992 7.523) 23.770 1.328 ( -0.349 3.453 -1.294) 3.704 1.587 ( -13.761 23.000 -0.484) 26.807 1.840 ( -11.850 2.046 15.365) 19.512 2.649 ( -0.633 -4.305 -2.363) 4.952 2.845 ( 1.498 -8.378 3.435) 9.178 2.938 ( 5.403 3.521 -11.315) 13.024 3.116 ( 1.951 10.037 -11.260) 15.210 3.364 ( -3.389 -3.299 -2.179) 5.207 3.462 ( 0.652 0.297 4.198) 4.259 3.569 ( -4.689 -0.510 8.531) 9.748 3.729 ( 1.300 1.446 -3.624) 4.113 3.882 ( -2.099 -2.602 7.732) 8.424 3.978 ( -4.360 3.303 -3.685) 6.596 4.083 ( 5.068 2.791 3.916) 6.986 4.160 ( -1.608 1.582 -0.856) 2.412 4.255 ( 0.394 0.219 4.342) 4.365 4.541 ( -0.117 -1.703 -1.046) 2.002 4.614 ( -0.946 5.514 1.745) 5.860 5.012 ( 6.932 1.150 -8.808) 11.267 5.427 ( 2.849 -3.667 -1.474) 4.872 5.518 ( -2.860 2.540 -9.700) 10.427 5.961 ( -1.596 -1.154 1.854) 2.705 6.033 ( 4.801 -0.398 3.007) 5.679 6.157 ( -2.765 -0.504 -0.836) 2.932 6.468 ( 1.363 -1.688 -1.053) 2.412 6.590 ( 0.466 -5.560 3.654) 6.670 7.148 ( 2.591 -1.194 2.503) 3.795 7.408 ( 7.147 -4.487 4.278) 9.461 8.024 ( 3.456 -2.380 0.010) 4.196 8.161 ( 2.470 -1.199 1.152) 2.977 8.284 ( -2.332 -1.884 -2.679) 4.021 8.533 ( -3.472 -3.037 -1.801) 4.952 12.783 ( 0.222 -0.091 -0.256) 0.351 12.846 ( -0.365 0.296 -0.781) 0.912 13.492 ( -0.896 -0.344 0.919) 1.328 13.558 ( 0.003 -0.229 0.053) 0.235 23.053 ( -3.452 3.996 -2.621) 5.896 23.620 ( 16.858 15.685 1.066) 23.051 24.137 ( -4.598 5.206 1.666) 7.143 24.633 ( -20.271 -5.452 -9.051) 22.860 ======================= Grid point 91 (34/160) ======================= q-point: (-0.11 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.552 ( 2.069 20.602 13.671) 24.811 0.676 ( -6.953 18.797 19.478) 27.948 0.993 ( -13.963 25.675 23.145) 37.281 1.298 ( 0.734 2.121 0.691) 2.348 1.933 ( -20.544 -17.661 9.056) 28.565 2.674 ( -2.174 -3.618 -8.991) 9.932 2.850 ( 4.541 7.251 -12.032) 14.764 2.970 ( 7.345 2.404 1.096) 7.806 3.031 ( 2.328 -6.570 -0.255) 6.975 3.365 ( 2.590 1.096 4.511) 5.316 3.475 ( 1.681 1.525 3.624) 4.276 3.549 ( -10.887 -0.407 11.010) 15.489 3.715 ( 1.196 -1.479 -4.418) 4.810 3.818 ( -4.068 4.044 -2.532) 6.270 3.955 ( -0.776 -0.077 0.752) 1.083 4.088 ( -4.333 0.055 3.878) 5.815 4.185 ( 2.713 -3.313 0.724) 4.343 4.276 ( 1.001 -0.453 2.267) 2.519 4.497 ( -1.389 4.233 -1.573) 4.725 4.560 ( -2.497 0.333 0.079) 2.520 4.908 ( 12.929 19.419 -18.326) 29.666 5.410 ( 0.155 1.056 -11.105) 11.156 5.491 ( 5.281 0.243 -1.299) 5.443 5.994 ( -3.779 -4.226 3.167) 6.494 6.079 ( 1.236 1.115 2.799) 3.256 6.129 ( -1.779 -0.557 -1.338) 2.295 6.480 ( -3.425 -0.556 -5.750) 6.716 6.550 ( -12.811 3.429 -12.295) 18.085 7.433 ( 16.423 -16.992 25.196) 34.544 7.598 ( 12.164 -6.723 12.833) 18.917 8.096 ( 3.527 -1.612 0.259) 3.887 8.211 ( 1.654 -1.232 0.976) 2.282 8.273 ( 1.122 0.601 -1.654) 2.087 8.520 ( -5.394 -1.635 -2.492) 6.162 12.787 ( 0.397 -0.078 -0.203) 0.453 12.834 ( -0.123 0.119 -0.819) 0.837 13.498 ( -1.535 -1.281 0.976) 2.225 13.561 ( -0.065 -0.120 -0.129) 0.188 22.962 ( -0.719 2.851 -1.208) 3.179 23.455 ( 26.205 29.672 -9.666) 40.750 24.017 ( -4.796 3.548 0.087) 5.966 24.361 ( -42.914 -2.328 -23.351) 48.911 ======================= Grid point 93 (35/160) ======================= q-point: ( 0.11 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.915 ( 14.874 0.000 12.954) 19.724 0.993 ( 11.332 0.000 24.865) 27.326 1.271 ( 1.760 0.000 6.802) 7.026 1.352 ( -1.988 -0.000 -2.979) 3.581 1.805 ( 20.472 0.000 39.102) 44.137 2.506 ( 3.063 0.000 -12.420) 12.792 2.869 ( 8.559 0.000 -7.270) 11.230 3.066 ( -0.524 -0.000 -8.322) 8.338 3.307 ( 8.378 0.000 5.895) 10.244 3.334 ( -10.518 -0.000 1.677) 10.651 3.421 ( -8.510 -0.000 0.811) 8.548 3.579 ( 0.163 0.000 -4.850) 4.853 3.608 ( -2.954 -0.000 3.636) 4.685 3.820 ( 1.528 0.000 -2.368) 2.819 4.018 ( 6.329 0.000 -2.165) 6.690 4.048 ( -10.139 -0.000 -7.127) 12.393 4.060 ( -2.334 -0.000 4.918) 5.444 4.372 ( 3.195 0.000 4.464) 5.490 4.523 ( 1.384 0.000 0.109) 1.388 4.593 ( 4.634 0.000 -2.972) 5.505 4.715 ( 11.869 0.000 -6.102) 13.346 5.231 ( 0.709 0.000 -15.862) 15.878 5.735 ( 6.636 0.000 7.137) 9.746 5.845 ( -8.263 -0.000 -3.322) 8.906 6.007 ( -0.389 -0.000 2.913) 2.939 6.030 ( -0.062 -0.000 2.417) 2.418 6.203 ( 1.616 0.000 -0.141) 1.622 6.482 ( 0.518 0.000 -2.869) 2.915 7.616 ( -9.039 -0.000 6.822) 11.325 7.900 ( -20.448 -0.000 7.700) 21.849 8.149 ( -1.916 -0.000 -0.774) 2.067 8.189 ( 1.229 0.000 1.557) 1.984 8.348 ( 2.212 0.000 3.151) 3.850 8.705 ( -4.402 -0.000 -7.693) 8.864 12.792 ( -0.035 -0.000 0.232) 0.234 12.825 ( -0.185 -0.000 -0.769) 0.791 13.477 ( -0.269 -0.000 0.595) 0.653 13.552 ( -0.270 -0.000 -0.455) 0.529 22.920 ( 0.003 0.000 -1.972) 1.972 23.080 ( 9.831 0.000 2.203) 10.075 23.947 ( 2.131 0.000 -1.225) 2.458 24.312 ( 28.636 0.000 -17.437) 33.527 ======================= Grid point 94 (36/160) ======================= q-point: ( 0.22 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( 3.658 -0.156 6.393) 7.367 1.325 ( 3.532 -9.986 9.255) 14.066 1.354 ( 5.549 -3.011 3.910) 7.426 1.454 ( 10.235 -7.945 15.554) 20.244 2.222 ( 15.410 -5.324 24.160) 29.146 2.526 ( 9.587 -3.795 -4.238) 11.148 2.864 ( -9.296 2.794 -1.039) 9.763 3.038 ( 8.923 -1.695 -17.918) 20.089 3.231 ( -10.246 -2.934 -6.845) 12.667 3.303 ( 1.854 3.893 2.596) 5.033 3.441 ( -3.973 -1.818 2.626) 5.098 3.533 ( 2.239 3.038 -1.475) 4.052 3.674 ( 1.035 -5.793 10.376) 11.928 3.776 ( 0.685 6.113 -3.485) 7.070 3.923 ( -3.266 1.153 -3.038) 4.607 4.033 ( 3.613 0.585 -3.532) 5.086 4.110 ( 1.115 -1.876 7.492) 7.804 4.374 ( 2.061 3.216 2.645) 4.647 4.532 ( 4.277 1.197 2.013) 4.876 4.558 ( 3.017 0.887 -1.751) 3.599 4.977 ( 0.176 -13.575 -12.426) 18.404 5.161 ( 0.701 -0.204 -10.555) 10.580 5.728 ( -4.955 1.814 -1.682) 5.538 5.855 ( 3.736 -2.237 3.732) 5.736 6.021 ( -0.445 0.400 2.679) 2.745 6.074 ( 2.760 -2.344 1.713) 4.006 6.208 ( 0.555 0.456 -0.570) 0.917 6.472 ( 0.254 0.038 -2.739) 2.751 7.502 ( -11.825 5.030 5.167) 13.850 7.697 ( -15.088 6.613 8.239) 18.419 8.114 ( -2.063 1.627 -0.955) 2.796 8.148 ( 1.963 5.330 2.333) 6.140 8.376 ( 0.101 0.502 1.261) 1.361 8.580 ( -3.996 3.128 -5.978) 7.841 12.793 ( 0.075 -0.017 0.047) 0.090 12.821 ( 0.329 -0.110 -1.063) 1.118 13.480 ( -0.030 -0.121 0.525) 0.540 13.547 ( -0.293 0.030 -0.430) 0.521 23.028 ( -2.785 -11.394 -4.594) 12.597 23.226 ( 11.759 -3.444 3.453) 12.730 24.002 ( 3.277 -3.652 -0.621) 4.945 24.488 ( 18.682 -3.065 -14.074) 23.590 ======================= Grid point 95 (37/160) ======================= q-point: ( 0.33 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( -1.108 -1.041 2.390) 2.833 1.371 ( 0.844 -1.497 -2.868) 3.344 1.666 ( 5.239 -11.659 16.320) 20.730 1.801 ( 11.217 -7.974 17.464) 22.235 2.405 ( 4.660 -3.636 -2.995) 6.626 2.647 ( -11.621 7.035 -2.639) 13.839 2.821 ( 13.269 -8.194 9.671) 18.351 2.966 ( -4.250 0.853 -18.607) 19.106 3.214 ( -6.072 -4.486 -5.336) 9.245 3.280 ( 3.152 3.614 -0.318) 4.806 3.440 ( 0.730 -2.127 4.239) 4.798 3.525 ( 1.554 2.738 -1.684) 3.571 3.642 ( -0.429 3.960 -2.016) 4.464 3.867 ( 2.498 -5.131 10.312) 11.785 3.910 ( 2.330 -2.329 -1.222) 3.514 4.053 ( 2.052 -0.687 -0.751) 2.290 4.201 ( 5.313 -0.564 6.850) 8.687 4.360 ( 0.361 0.515 1.828) 1.933 4.530 ( 3.005 2.558 -1.670) 4.285 4.625 ( 4.750 -2.745 2.401) 5.989 4.992 ( -2.001 -2.627 -17.181) 17.495 5.153 ( -3.426 -0.536 -1.772) 3.894 5.652 ( -5.330 -0.109 -2.576) 5.921 5.941 ( 4.266 -0.956 2.694) 5.135 6.023 ( -0.496 -0.207 2.700) 2.753 6.157 ( 3.487 -2.250 1.726) 4.494 6.189 ( -0.729 1.176 -0.575) 1.499 6.454 ( -0.281 0.594 -2.327) 2.418 7.304 ( -10.589 6.526 2.623) 12.712 7.512 ( -8.389 6.140 5.877) 11.942 8.046 ( -1.480 3.348 -0.948) 3.781 8.104 ( 1.265 3.086 2.408) 4.113 8.343 ( -2.238 1.390 -2.475) 3.615 8.488 ( -2.055 1.888 -2.450) 3.714 12.795 ( 0.529 0.055 -0.088) 0.539 12.825 ( 0.551 -0.445 -1.081) 1.292 13.485 ( -0.053 -0.174 0.605) 0.632 13.542 ( -0.259 -0.026 -0.287) 0.388 23.147 ( -3.239 -8.851 -5.542) 10.933 23.442 ( 11.721 -5.626 4.958) 13.915 24.109 ( 2.462 -5.232 0.110) 5.784 24.627 ( 10.491 -3.651 -8.697) 14.108 ======================= Grid point 96 (38/160) ======================= q-point: ( 0.44 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( -1.299 -1.359 1.229) 2.246 1.373 ( 0.029 0.287 -1.001) 1.042 1.970 ( 1.886 -9.299 13.493) 16.495 2.052 ( 5.716 -2.992 12.109) 13.721 2.349 ( -2.643 10.302 -0.430) 10.644 2.583 ( 2.115 -8.010 -2.797) 8.744 2.792 ( -5.705 1.713 -15.556) 16.657 2.951 ( 0.327 3.425 -4.645) 5.780 3.183 ( -7.010 -2.741 -5.528) 9.339 3.321 ( 4.488 -1.873 8.795) 10.049 3.435 ( 2.574 4.398 -5.056) 7.178 3.486 ( -2.947 -1.104 -0.798) 3.247 3.674 ( 2.773 -4.277 0.167) 5.100 3.927 ( 1.097 -0.748 3.352) 3.606 4.046 ( 1.179 -4.887 0.688) 5.074 4.087 ( 2.755 -0.417 3.788) 4.702 4.271 ( 8.209 3.518 3.459) 9.577 4.410 ( 0.832 -2.307 7.075) 7.488 4.500 ( 2.387 2.606 -1.096) 3.700 4.733 ( 5.479 -2.565 1.797) 6.311 4.944 ( -0.721 -3.296 -14.341) 14.732 5.073 ( -5.476 3.099 0.662) 6.326 5.605 ( -4.809 -1.512 -2.471) 5.615 5.980 ( 2.032 0.814 1.662) 2.748 6.055 ( 0.472 -1.499 2.375) 2.848 6.130 ( -0.313 3.447 -1.476) 3.763 6.244 ( 1.523 -2.862 2.694) 4.215 6.425 ( -0.558 0.956 -1.826) 2.135 7.145 ( -5.211 3.673 -0.088) 6.376 7.385 ( -4.696 4.270 3.629) 7.311 7.978 ( -1.038 2.415 -1.127) 2.860 8.090 ( 1.278 1.453 2.343) 3.039 8.278 ( -3.076 0.864 -4.581) 5.585 8.448 ( -1.068 0.655 0.466) 1.337 12.800 ( 0.816 0.262 0.023) 0.857 12.834 ( 0.476 -0.605 -0.899) 1.184 13.490 ( -0.184 -0.124 0.694) 0.729 13.540 ( -0.168 -0.154 -0.081) 0.241 23.209 ( -2.874 -5.051 -5.138) 7.757 23.664 ( 11.088 -4.188 5.569) 13.096 24.208 ( 0.074 -4.495 0.331) 4.508 24.720 ( 4.394 -2.651 -4.758) 6.998 ======================= Grid point 97 (39/160) ======================= q-point: (-0.44 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.106 ( -0.631 0.347 1.253) 1.445 1.366 ( -0.047 -0.255 -1.162) 1.191 1.961 ( -7.357 7.229 1.761) 10.464 2.184 ( -1.222 12.530 9.229) 15.610 2.248 ( 3.949 -7.234 7.064) 10.855 2.622 ( 1.942 5.943 -10.198) 11.962 2.736 ( 3.440 -0.409 -0.240) 3.473 2.904 ( -0.966 -7.728 -4.681) 9.087 3.136 ( -5.161 -3.025 -6.425) 8.779 3.305 ( -5.797 3.158 -3.122) 7.302 3.439 ( 0.004 0.693 -1.656) 1.795 3.495 ( 3.028 -2.873 3.483) 5.437 3.765 ( 2.723 -2.826 -0.700) 3.986 3.936 ( -2.305 2.343 3.047) 4.482 4.082 ( -4.002 -2.626 0.086) 4.787 4.148 ( 3.293 -0.798 0.402) 3.412 4.287 ( 6.623 4.324 2.511) 8.299 4.412 ( 0.457 3.960 3.069) 5.030 4.517 ( 4.730 3.083 4.232) 7.056 4.816 ( 4.206 -0.109 -0.681) 4.262 4.926 ( -3.424 -1.625 -4.556) 5.927 5.050 ( 0.873 -5.757 -1.283) 5.963 5.584 ( -4.761 -2.474 -2.639) 5.979 5.986 ( 1.391 0.935 1.673) 2.368 6.059 ( 2.163 3.963 -2.477) 5.149 6.095 ( -1.283 -1.864 1.839) 2.916 6.315 ( -0.187 -3.198 3.257) 4.568 6.403 ( -0.005 0.118 -1.475) 1.480 7.082 ( -0.208 0.382 -1.940) 1.988 7.316 ( -1.884 2.103 2.872) 4.028 7.941 ( -0.018 0.543 -0.929) 1.077 8.101 ( 1.422 0.209 2.033) 2.490 8.221 ( -3.165 -0.496 -4.153) 5.245 8.445 ( -0.796 -0.697 0.962) 1.430 12.800 ( 0.605 0.606 0.134) 0.867 12.844 ( 0.314 -0.511 -0.703) 0.925 13.492 ( -0.354 -0.002 0.740) 0.820 13.543 ( -0.068 -0.282 0.088) 0.303 23.213 ( -2.416 -1.260 -3.989) 4.831 23.836 ( 10.883 -0.539 5.003) 11.990 24.255 ( -2.786 -2.336 0.061) 3.636 24.741 ( -1.138 0.182 -2.684) 2.921 ======================= Grid point 98 (40/160) ======================= q-point: (-0.33 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( 0.167 2.729 3.471) 4.419 1.361 ( -0.376 0.078 -2.373) 2.404 1.745 ( -2.342 14.385 2.566) 14.798 1.939 ( -6.629 14.025 8.395) 17.639 2.399 ( 0.048 -1.847 -0.643) 1.956 2.464 ( 2.043 9.270 0.777) 9.524 2.737 ( 2.493 1.146 0.768) 2.849 3.054 ( 1.031 -3.138 -9.168) 9.745 3.129 ( 2.301 -2.936 -1.390) 3.981 3.207 ( -6.540 -5.813 -6.395) 10.838 3.415 ( -3.021 0.064 3.179) 4.386 3.587 ( 3.060 -1.183 4.502) 5.571 3.801 ( -0.210 1.498 -2.829) 3.208 3.839 ( -2.138 2.911 0.914) 3.726 4.077 ( -4.073 -0.621 0.710) 4.180 4.178 ( 0.968 -0.346 -0.628) 1.205 4.272 ( 3.551 5.069 2.158) 6.554 4.365 ( 2.834 5.643 4.270) 7.623 4.500 ( 1.648 2.974 1.617) 3.765 4.783 ( -0.703 3.318 -3.112) 4.603 4.946 ( 0.620 -3.594 -1.871) 4.100 5.203 ( 3.166 -8.284 -0.758) 8.900 5.547 ( -5.970 -0.624 -3.481) 6.939 6.010 ( 2.664 0.180 0.245) 2.682 6.012 ( 3.281 2.264 -0.606) 4.033 6.118 ( -1.737 -1.542 0.901) 2.491 6.389 ( -1.229 -4.626 3.401) 5.872 6.412 ( 0.430 -1.703 -1.568) 2.355 7.095 ( 2.052 -1.546 -1.994) 3.252 7.313 ( 0.948 -0.789 3.443) 3.657 7.954 ( 1.729 -1.522 -0.294) 2.322 8.127 ( 1.515 -0.497 1.518) 2.202 8.196 ( -3.151 -2.183 -3.165) 4.971 8.458 ( -1.266 -1.397 0.292) 1.908 12.793 ( 0.253 0.691 0.062) 0.738 12.848 ( 0.102 -0.161 -0.674) 0.701 13.491 ( -0.493 0.094 0.750) 0.902 13.549 ( -0.037 -0.325 0.124) 0.350 23.171 ( -1.460 2.039 -2.352) 3.438 23.937 ( 11.953 3.786 3.245) 12.951 24.235 ( -5.164 -0.142 -0.805) 5.228 24.656 ( -6.793 4.067 -2.402) 8.274 ======================= Grid point 99 (41/160) ======================= q-point: (-0.22 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.045 ( 0.115 7.081 9.826) 12.112 1.325 ( 0.967 2.762 -3.085) 4.252 1.437 ( -1.588 20.961 6.766) 22.083 1.752 ( -4.914 6.991 6.973) 11.029 2.095 ( -2.307 25.926 8.045) 27.244 2.547 ( 0.060 -6.109 -0.875) 6.172 2.769 ( -0.247 -2.821 2.221) 3.599 2.982 ( 4.883 2.172 -10.907) 12.145 3.223 ( 3.736 0.131 -2.416) 4.451 3.239 ( -0.425 -4.111 -7.664) 8.707 3.432 ( -3.663 -3.278 5.818) 7.617 3.620 ( -0.726 1.569 5.779) 6.032 3.713 ( -3.837 0.571 -3.157) 5.002 3.874 ( 5.199 -1.313 2.066) 5.746 4.005 ( -4.121 4.986 0.842) 6.523 4.164 ( -2.280 1.452 -0.163) 2.708 4.204 ( 1.292 5.264 1.160) 5.543 4.321 ( -0.514 3.903 4.322) 5.846 4.494 ( -0.324 -1.447 -1.425) 2.056 4.689 ( -1.355 4.857 -2.462) 5.611 5.021 ( 6.187 -3.376 -5.047) 8.669 5.339 ( -1.579 -7.214 -4.676) 8.741 5.479 ( -0.745 1.889 -0.352) 2.061 5.985 ( 2.202 2.034 -1.312) 3.272 6.072 ( 3.329 -1.544 1.087) 3.827 6.118 ( -2.579 -0.423 0.668) 2.698 6.435 ( -1.312 -2.044 -2.677) 3.615 6.477 ( -2.101 -5.502 0.285) 5.897 7.154 ( 3.362 -3.175 2.962) 5.491 7.399 ( 2.088 -4.945 4.650) 7.101 8.016 ( 2.669 -2.880 0.023) 3.927 8.154 ( -0.575 -1.493 -0.098) 1.603 8.208 ( 0.008 -2.661 -0.856) 2.796 8.467 ( -1.730 -1.422 -0.461) 2.286 12.785 ( 0.132 0.315 -0.048) 0.345 12.844 ( -0.024 0.241 -0.913) 0.944 13.487 ( -0.607 0.102 0.748) 0.969 13.554 ( -0.075 -0.281 0.017) 0.292 23.102 ( 0.244 4.253 -0.637) 4.308 23.975 ( 14.685 7.315 0.047) 16.407 24.152 ( -7.912 1.510 -4.220) 9.093 24.453 ( -11.076 8.028 -2.718) 13.946 ======================= Grid point 100 (42/160) ======================= q-point: (-0.11 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( 2.026 12.684 17.084) 21.374 1.100 ( -0.015 22.077 14.091) 26.191 1.290 ( 2.268 2.474 -4.693) 5.769 1.599 ( 6.261 19.280 13.327) 24.259 1.729 ( -10.893 12.262 14.364) 21.802 2.584 ( -0.672 -1.034 -6.967) 7.075 2.868 ( -0.468 -7.458 1.993) 7.734 2.998 ( 8.935 -0.240 -9.032) 12.707 3.112 ( 6.801 8.781 -5.717) 12.492 3.338 ( 0.779 -6.119 -0.288) 6.175 3.485 ( -5.506 -2.854 9.310) 11.186 3.584 ( -1.428 4.496 6.425) 7.971 3.679 ( -0.042 -0.548 -3.597) 3.639 3.833 ( -5.679 4.733 -4.784) 8.806 3.967 ( 1.989 1.130 2.284) 3.233 4.103 ( -2.708 2.283 1.367) 3.797 4.186 ( 2.414 -0.525 3.340) 4.155 4.260 ( -5.954 0.910 2.369) 6.473 4.500 ( -1.292 -0.687 -4.463) 4.696 4.578 ( -1.044 4.786 -1.441) 5.107 5.106 ( 12.039 0.715 -10.572) 16.038 5.334 ( -3.876 -2.315 -10.975) 11.868 5.524 ( 5.696 -0.998 5.173) 7.759 5.972 ( 0.814 0.842 0.456) 1.257 6.074 ( -4.629 0.533 -1.440) 4.877 6.136 ( 3.109 -0.466 1.803) 3.624 6.370 ( -10.962 2.244 -9.003) 14.361 6.502 ( -0.541 -0.594 -2.741) 2.856 7.363 ( 5.929 -12.319 13.146) 18.966 7.552 ( -0.999 -9.166 7.992) 12.202 8.078 ( -0.678 -2.781 -0.327) 2.881 8.166 ( -2.315 -2.038 -1.292) 3.344 8.282 ( 5.165 -2.379 1.575) 5.901 8.480 ( 1.059 -1.815 -0.476) 2.155 12.786 ( 0.200 -0.193 -0.025) 0.279 12.833 ( 0.078 0.366 -1.130) 1.190 13.483 ( -0.758 0.028 0.764) 1.076 13.556 ( -0.144 -0.192 -0.172) 0.295 23.038 ( 2.899 4.719 0.738) 5.587 23.908 ( -15.727 10.003 -20.093) 27.407 23.990 ( 8.840 5.846 0.630) 10.617 24.206 ( 2.192 11.473 -0.797) 11.708 ======================= Grid point 103 (43/160) ======================= q-point: ( 0.22 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( 1.675 0.000 3.012) 3.447 1.281 ( 3.169 0.000 -6.188) 6.952 1.459 ( 9.879 0.000 20.828) 23.052 1.578 ( 13.715 0.000 15.519) 20.711 2.360 ( 4.958 0.000 -1.730) 5.251 2.642 ( 17.486 0.000 19.077) 25.879 2.773 ( -12.906 -0.000 -2.315) 13.112 2.950 ( -7.046 -0.000 -20.466) 21.645 3.121 ( 4.421 0.000 -6.294) 7.692 3.374 ( -1.758 -0.000 7.231) 7.441 3.396 ( -0.469 -0.000 -3.202) 3.236 3.577 ( 2.022 0.000 -1.608) 2.583 3.693 ( 1.627 0.000 11.134) 11.252 3.835 ( 4.210 0.000 -3.464) 5.452 3.874 ( -2.478 -0.000 -5.330) 5.878 4.045 ( 2.324 0.000 -1.946) 3.031 4.179 ( 6.370 0.000 7.587) 9.907 4.458 ( 1.466 0.000 2.253) 2.688 4.577 ( 2.916 0.000 1.853) 3.455 4.616 ( 3.056 0.000 -6.006) 6.739 4.780 ( 0.819 0.000 -2.625) 2.750 5.112 ( 1.331 0.000 -10.524) 10.607 5.652 ( -7.070 -0.000 -6.213) 9.412 5.912 ( 4.734 0.000 5.770) 7.463 6.066 ( 2.553 0.000 2.673) 3.697 6.082 ( 1.730 0.000 4.445) 4.769 6.210 ( 0.044 0.000 -1.385) 1.386 6.463 ( 0.512 0.000 -2.725) 2.773 7.450 ( -13.286 -0.000 4.090) 13.901 7.618 ( -16.679 -0.000 5.998) 17.724 8.105 ( -2.073 -0.000 -0.624) 2.165 8.218 ( 0.245 0.000 0.870) 0.904 8.401 ( 0.250 0.000 2.543) 2.555 8.503 ( -7.127 -0.000 -7.502) 10.347 12.793 ( -0.059 -0.000 0.185) 0.194 12.818 ( 0.472 0.000 -1.224) 1.312 13.482 ( 0.053 0.000 0.523) 0.526 13.542 ( -0.306 -0.000 -0.424) 0.523 22.925 ( 2.681 0.000 -2.027) 3.361 23.330 ( 12.895 0.000 2.677) 13.170 24.010 ( 4.581 0.000 0.434) 4.601 24.556 ( 14.791 0.000 -12.986) 19.683 ======================= Grid point 104 (44/160) ======================= q-point: ( 0.33 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( 0.123 2.349 3.192) 3.965 1.316 ( 2.957 -3.390 -5.762) 7.310 1.686 ( 7.077 -4.310 20.215) 21.848 1.848 ( 11.156 -7.236 14.418) 19.614 2.383 ( 4.142 -2.525 -7.257) 8.729 2.597 ( -13.005 3.159 -5.212) 14.362 2.776 ( -10.309 -1.384 -15.792) 18.909 2.925 ( 12.119 -2.137 15.618) 19.884 3.156 ( 5.092 0.069 -4.959) 7.108 3.335 ( 0.956 2.001 -2.192) 3.118 3.431 ( -0.921 -1.479 4.342) 4.679 3.569 ( 1.868 1.426 -0.682) 2.447 3.704 ( -0.736 4.996 -3.941) 6.406 3.829 ( -0.754 -3.675 3.700) 5.269 3.911 ( 5.817 -1.902 -2.695) 6.688 4.083 ( 3.495 -0.621 2.656) 4.433 4.302 ( 9.174 -0.982 10.125) 13.698 4.417 ( 1.165 4.148 -0.172) 4.312 4.595 ( 3.961 2.236 -2.933) 5.412 4.642 ( 4.142 -2.092 2.539) 5.290 4.815 ( -3.971 -4.544 -8.718) 10.603 5.097 ( -0.211 -1.435 -4.862) 5.074 5.562 ( -6.573 -1.050 -6.278) 9.150 5.981 ( 3.395 -0.513 3.620) 4.989 6.067 ( 1.443 2.323 3.730) 4.625 6.158 ( 1.567 -2.250 4.264) 5.070 6.198 ( 0.103 0.354 -1.144) 1.202 6.451 ( 0.381 0.450 -2.432) 2.502 7.301 ( -11.954 4.094 2.127) 12.813 7.488 ( -12.991 1.092 3.858) 13.596 8.068 ( -1.757 1.711 -0.849) 2.595 8.192 ( 0.240 3.046 1.512) 3.409 8.340 ( -3.115 3.559 -3.573) 5.928 8.454 ( -3.007 -1.391 -1.540) 3.653 12.796 ( 0.287 -0.298 -0.021) 0.414 12.819 ( 0.653 -0.249 -1.124) 1.324 13.486 ( 0.011 -0.086 0.616) 0.622 13.537 ( -0.259 -0.037 -0.296) 0.395 22.995 ( 2.042 -5.404 -2.380) 6.248 23.497 ( 12.143 -3.759 2.904) 13.039 24.079 ( 3.932 -2.243 1.567) 4.790 24.634 ( 9.813 -1.707 -8.950) 13.391 ======================= Grid point 105 (45/160) ======================= q-point: ( 0.44 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( 0.213 0.746 2.560) 2.675 1.352 ( 0.103 -1.258 -3.594) 3.810 1.931 ( 3.457 -7.005 17.406) 19.079 2.091 ( 1.965 -2.864 10.316) 10.885 2.407 ( -6.113 -2.714 -5.080) 8.399 2.504 ( 9.130 -2.633 -2.555) 9.840 2.650 ( -6.872 -2.318 -12.267) 14.250 3.007 ( -0.151 4.287 -0.694) 4.346 3.134 ( 0.714 4.563 -0.845) 4.695 3.344 ( 2.251 -2.341 -0.749) 3.332 3.454 ( -0.190 -0.153 1.308) 1.330 3.545 ( 2.322 8.290 -5.393) 10.159 3.610 ( -0.612 -3.961 0.725) 4.073 3.932 ( 1.143 -4.646 4.187) 6.358 3.975 ( 2.193 -2.200 -2.956) 4.288 4.129 ( 0.974 0.419 4.352) 4.480 4.377 ( 1.335 1.276 -1.108) 2.154 4.495 ( 12.425 -1.477 13.361) 18.305 4.573 ( 3.393 3.490 -1.168) 5.005 4.738 ( 4.517 -2.800 0.762) 5.369 4.793 ( -2.731 -4.105 -10.622) 11.710 5.064 ( -3.779 1.598 -1.879) 4.513 5.502 ( -6.212 -2.341 -4.960) 8.286 6.021 ( 1.810 0.394 1.313) 2.270 6.066 ( 0.317 1.003 4.173) 4.304 6.159 ( -0.532 1.315 -1.718) 2.228 6.240 ( 1.043 -1.487 4.669) 5.010 6.429 ( 0.107 1.035 -2.087) 2.331 7.148 ( -6.508 3.249 -0.147) 7.276 7.380 ( -8.603 1.005 1.905) 8.868 8.011 ( -0.807 2.796 -1.025) 3.086 8.155 ( 0.852 2.825 2.393) 3.800 8.242 ( -3.157 1.862 -4.663) 5.931 8.439 ( -1.964 -0.175 0.228) 1.985 12.807 ( 0.692 -0.318 -0.052) 0.763 12.826 ( 0.692 -0.416 -0.906) 1.213 13.490 ( -0.107 -0.089 0.716) 0.729 13.536 ( -0.159 -0.140 -0.095) 0.233 23.091 ( 1.031 -5.166 -2.604) 5.876 23.702 ( 9.895 -5.807 3.075) 11.878 24.158 ( 1.645 -2.504 1.810) 3.500 24.705 ( 5.386 -1.821 -4.758) 7.414 ======================= Grid point 106 (46/160) ======================= q-point: ( 0.56 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( 0.037 -0.224 2.544) 2.554 1.336 ( -1.233 -0.609 -4.266) 4.482 2.024 ( -5.796 5.999 4.549) 9.502 2.138 ( -2.332 -6.127 11.247) 13.018 2.470 ( 5.675 4.426 1.951) 7.456 2.618 ( -1.307 -10.105 -2.241) 10.433 2.688 ( 11.571 -3.486 -1.575) 12.187 2.847 ( -4.949 5.842 -5.125) 9.213 3.051 ( -2.164 2.846 -1.627) 3.928 3.329 ( -2.928 5.262 -4.359) 7.434 3.442 ( -1.416 1.105 -0.951) 2.033 3.471 ( 5.119 -2.147 -6.053) 8.213 3.710 ( 0.612 -5.394 2.574) 6.008 3.970 ( -2.554 2.194 2.358) 4.111 4.034 ( 0.804 -2.731 3.547) 4.548 4.145 ( 0.597 -1.051 -0.213) 1.227 4.365 ( 1.184 1.049 -1.988) 2.541 4.531 ( 3.495 4.538 0.839) 5.789 4.645 ( 4.759 2.377 7.904) 9.527 4.811 ( 1.929 -4.035 -3.500) 5.679 4.840 ( 3.616 -2.728 -5.781) 7.344 4.984 ( -4.050 -0.304 1.203) 4.236 5.478 ( -4.490 -3.084 -2.591) 6.031 6.022 ( 0.673 1.062 1.151) 1.705 6.070 ( -2.155 0.062 2.623) 3.396 6.127 ( 2.711 2.137 -1.917) 3.949 6.285 ( -1.286 -1.504 3.976) 4.441 6.403 ( 0.206 0.847 -1.681) 1.893 7.077 ( -0.853 0.645 -1.702) 2.010 7.314 ( -4.780 0.063 1.104) 4.906 7.959 ( 0.114 2.092 -0.640) 2.191 8.141 ( 1.451 1.574 2.455) 3.257 8.171 ( -2.899 0.594 -3.670) 4.714 8.431 ( -1.229 -0.434 0.483) 1.390 12.814 ( 0.415 0.266 0.186) 0.527 12.837 ( 0.817 -0.462 -0.814) 1.243 13.493 ( -0.255 0.009 0.774) 0.815 13.538 ( -0.061 -0.259 0.086) 0.280 23.156 ( 0.789 -2.810 -1.824) 3.442 23.893 ( 7.128 -5.436 1.581) 9.103 24.202 ( -0.978 -1.120 1.671) 2.237 24.739 ( 1.722 0.267 -1.793) 2.500 ======================= Grid point 107 (47/160) ======================= q-point: (-0.33 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( 0.028 -0.166 3.519) 3.523 1.319 ( -1.208 -1.384 -5.074) 5.396 1.906 ( -1.369 6.344 6.063) 8.881 2.176 ( -5.042 8.543 8.979) 13.381 2.348 ( -1.416 3.635 -1.339) 4.124 2.701 ( 6.164 4.619 0.552) 7.722 2.789 ( 4.383 1.578 3.471) 5.809 2.919 ( 5.045 -11.997 -1.596) 13.113 3.002 ( -2.954 -2.682 -3.717) 5.453 3.169 ( -1.739 5.609 -5.065) 7.755 3.393 ( -2.697 0.594 -2.874) 3.986 3.561 ( 2.211 -4.978 -2.446) 5.971 3.805 ( 1.601 -3.255 1.074) 3.783 3.870 ( -4.582 5.403 1.732) 7.293 4.081 ( 0.720 0.542 5.182) 5.260 4.168 ( 0.381 -0.898 -1.365) 1.678 4.338 ( -0.379 1.431 -2.433) 2.848 4.484 ( 0.150 4.589 0.619) 4.633 4.615 ( 0.343 6.332 2.469) 6.805 4.797 ( 0.614 1.765 -5.804) 6.098 4.872 ( 0.617 -3.515 -1.916) 4.051 5.081 ( 0.012 -7.863 -0.246) 7.867 5.489 ( -0.677 -1.649 0.746) 1.933 6.026 ( 0.856 -0.354 0.370) 0.998 6.050 ( -1.324 0.588 -0.150) 1.457 6.120 ( 2.697 1.620 0.226) 3.154 6.311 ( -3.355 -2.619 2.274) 4.826 6.396 ( 0.764 -0.442 -1.231) 1.515 7.083 ( 2.176 -1.221 -1.420) 2.871 7.298 ( -2.600 -1.577 1.170) 3.258 7.946 ( 0.855 -0.347 0.091) 0.928 8.129 ( -2.308 -0.286 -2.486) 3.404 8.156 ( 2.282 0.184 2.358) 3.286 8.431 ( -1.094 -0.714 -0.097) 1.310 12.808 ( -0.051 0.745 0.158) 0.764 12.846 ( 0.687 -0.126 -0.690) 0.982 13.492 ( -0.366 0.138 0.780) 0.873 13.543 ( -0.040 -0.307 0.150) 0.344 23.184 ( 1.435 0.102 -0.285) 1.466 24.022 ( 2.664 -4.177 -3.165) 5.879 24.194 ( -1.376 1.675 2.903) 3.623 24.699 ( -0.445 4.606 -0.368) 4.642 ======================= Grid point 108 (48/160) ======================= q-point: (-0.22 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( 0.104 0.607 7.226) 7.253 1.302 ( -0.795 -0.762 -5.190) 5.305 1.799 ( 0.932 14.089 7.816) 16.138 1.914 ( -3.997 14.127 7.729) 16.592 2.381 ( -0.554 -5.716 -0.601) 5.774 2.618 ( 7.139 16.990 10.183) 21.055 2.770 ( -0.701 3.056 1.467) 3.461 2.987 ( 0.702 -0.078 -9.000) 9.028 3.072 ( 1.460 -7.772 -4.760) 9.230 3.230 ( 7.035 -6.844 0.405) 9.824 3.365 ( -3.622 -2.556 -1.107) 4.569 3.589 ( -4.864 0.436 0.721) 4.937 3.768 ( 1.590 4.111 2.380) 5.009 3.881 ( 1.622 -2.824 -2.643) 4.194 4.082 ( 1.091 3.724 6.058) 7.194 4.160 ( -0.893 0.610 -2.089) 2.352 4.274 ( -2.372 3.302 -1.852) 4.468 4.379 ( -5.118 4.319 -0.461) 6.713 4.500 ( -2.295 4.615 -1.141) 5.279 4.751 ( 1.212 4.057 -1.676) 4.553 4.965 ( 4.055 -6.562 -2.983) 8.270 5.169 ( -2.801 -5.902 -5.807) 8.741 5.534 ( 4.477 -0.082 4.177) 6.124 6.022 ( -0.373 1.174 -0.975) 1.571 6.050 ( -0.002 -1.474 -1.812) 2.336 6.123 ( 1.170 0.722 2.624) 2.962 6.328 ( -5.073 -3.105 -1.759) 6.202 6.423 ( 1.204 -2.179 -0.697) 2.585 7.143 ( 3.304 -3.026 1.756) 4.812 7.328 ( -3.240 -4.269 1.880) 5.680 7.980 ( 0.407 -2.302 0.253) 2.352 8.109 ( -1.901 -1.010 -1.811) 2.813 8.208 ( 4.286 -1.306 2.624) 5.192 8.432 ( -1.076 -1.009 -0.946) 1.752 12.794 ( -0.204 0.660 0.023) 0.691 12.846 ( 0.422 0.317 -0.794) 0.953 13.489 ( -0.410 0.228 0.745) 0.880 13.548 ( -0.094 -0.265 0.068) 0.289 23.182 ( 2.959 2.793 1.433) 4.315 24.011 ( -9.421 -1.043 -9.650) 13.526 24.177 ( 4.770 4.079 4.012) 7.449 24.582 ( 1.884 9.099 -0.064) 9.292 ======================= Grid point 109 (49/160) ======================= q-point: (-0.11 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( -2.087 3.584 9.928) 10.759 1.294 ( 2.152 -0.229 -2.210) 3.093 1.536 ( 2.182 18.908 10.646) 21.809 1.739 ( -3.838 10.352 7.637) 13.424 2.347 ( 13.267 25.932 17.353) 33.906 2.527 ( 0.113 -4.196 -3.939) 5.757 2.737 ( -3.942 -3.521 1.707) 5.554 3.006 ( 6.083 -2.357 -7.730) 10.115 3.192 ( 2.685 -6.256 -7.375) 10.037 3.322 ( 7.227 4.124 -0.571) 8.340 3.414 ( -2.522 -5.685 3.462) 7.118 3.544 ( -6.497 -2.093 2.971) 7.444 3.750 ( 2.858 3.443 2.969) 5.370 3.828 ( -6.215 4.326 -5.752) 9.510 4.050 ( 1.591 4.476 -0.439) 4.770 4.109 ( -1.567 2.223 -2.924) 3.993 4.210 ( -2.059 -0.115 0.980) 2.283 4.261 ( -4.998 4.167 6.264) 9.032 4.450 ( 0.296 -1.047 -3.275) 3.451 4.659 ( -0.450 5.775 -1.280) 5.933 5.114 ( 7.500 -5.587 -4.747) 10.488 5.188 ( -2.437 -4.177 -8.805) 10.046 5.610 ( 6.088 0.058 5.207) 8.011 5.983 ( -3.236 1.097 -0.896) 3.532 6.047 ( -0.340 0.523 -1.225) 1.375 6.152 ( 0.988 -1.145 2.148) 2.627 6.273 ( -6.627 1.090 -6.175) 9.124 6.468 ( 0.514 -2.110 -1.633) 2.717 7.288 ( 3.609 -7.979 7.609) 11.601 7.395 ( -6.535 -7.444 3.551) 10.522 8.018 ( -1.273 -2.375 0.402) 2.724 8.107 ( -1.806 -1.755 -1.632) 3.001 8.301 ( 4.760 -2.215 2.533) 5.829 8.447 ( 0.699 -2.427 -1.784) 3.092 12.786 ( -0.012 0.098 -0.003) 0.099 12.837 ( 0.358 0.553 -1.078) 1.263 13.485 ( -0.374 0.256 0.686) 0.822 13.551 ( -0.174 -0.183 -0.114) 0.276 23.168 ( 5.393 4.475 2.798) 7.546 23.788 ( -16.275 6.552 -11.178) 20.803 24.151 ( 3.140 5.584 0.920) 6.471 24.471 ( 11.268 9.434 -2.937) 14.986 ======================= Grid point 113 (50/160) ======================= q-point: ( 0.33 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( -1.375 -0.000 6.012) 6.167 1.283 ( 4.723 0.000 -8.209) 9.471 1.819 ( 4.578 0.000 21.260) 21.748 1.954 ( 10.283 0.000 12.525) 16.206 2.338 ( 2.828 0.000 -9.975) 10.368 2.466 ( -13.022 -0.000 -6.198) 14.421 2.597 ( -8.786 -0.000 -12.297) 15.114 3.105 ( 7.734 0.000 14.453) 16.392 3.197 ( 6.475 0.000 -4.171) 7.702 3.343 ( 1.200 0.000 -2.787) 3.034 3.462 ( 3.031 0.000 6.359) 7.045 3.598 ( 1.246 0.000 -2.648) 2.926 3.693 ( -5.253 -0.000 2.569) 5.848 3.807 ( 0.505 0.000 -4.440) 4.469 3.919 ( 6.163 0.000 -7.826) 9.961 4.126 ( 3.626 0.000 3.824) 5.269 4.435 ( 8.916 0.000 9.352) 12.921 4.444 ( -0.324 -0.000 -5.160) 5.170 4.647 ( 5.626 0.000 -3.819) 6.800 4.656 ( 0.502 0.000 4.808) 4.834 4.746 ( 0.841 0.000 -0.264) 0.882 5.063 ( 0.430 0.000 -4.126) 4.148 5.449 ( -7.056 -0.000 -7.485) 10.286 6.020 ( 2.089 0.000 2.664) 3.385 6.130 ( 0.172 0.000 3.161) 3.166 6.165 ( 0.635 0.000 6.414) 6.445 6.193 ( 0.758 0.000 -1.368) 1.564 6.450 ( 0.759 0.000 -2.140) 2.270 7.232 ( -11.122 -0.000 0.903) 11.158 7.382 ( -11.989 -0.000 1.804) 12.124 8.063 ( -1.452 -0.000 -0.491) 1.533 8.198 ( -2.482 -0.000 -1.407) 2.853 8.344 ( -2.324 -0.000 -3.686) 4.357 8.410 ( -1.089 -0.000 1.323) 1.714 12.795 ( 0.134 0.000 0.081) 0.156 12.818 ( 0.838 0.000 -1.118) 1.397 13.488 ( -0.017 -0.000 0.693) 0.693 13.533 ( -0.196 -0.000 -0.181) 0.267 22.974 ( 3.562 0.000 -0.602) 3.613 23.580 ( 10.311 0.000 0.860) 10.347 24.113 ( 3.646 0.000 3.617) 5.136 24.667 ( 8.100 0.000 -6.742) 10.538 ======================= Grid point 114 (51/160) ======================= q-point: ( 0.44 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( -0.547 2.283 5.252) 5.752 1.308 ( 1.779 -1.788 -6.004) 6.512 1.967 ( 0.364 -2.586 19.629) 19.802 2.123 ( 5.160 -2.383 10.019) 11.518 2.285 ( -7.731 0.584 -6.180) 9.915 2.425 ( 3.062 -8.683 -7.732) 12.024 2.502 ( -3.580 -2.519 -8.182) 9.279 3.112 ( 1.305 5.783 -0.194) 5.932 3.270 ( 3.230 -1.179 -0.702) 3.509 3.326 ( 3.282 6.616 1.413) 7.519 3.483 ( 0.702 1.763 4.161) 4.573 3.550 ( -2.451 -1.392 -0.496) 2.862 3.691 ( 3.806 7.282 -4.458) 9.348 3.824 ( -1.202 -8.390 2.545) 8.850 3.959 ( 4.348 -2.389 -6.521) 8.194 4.169 ( 1.026 0.869 3.287) 3.551 4.392 ( 0.403 1.697 -4.521) 4.846 4.557 ( 2.583 -3.219 1.129) 4.279 4.670 ( 2.621 -1.522 -1.370) 3.326 4.690 ( 0.347 -0.719 3.069) 3.171 4.788 ( 8.026 1.966 2.325) 8.585 5.044 ( -1.668 0.526 -2.309) 2.897 5.373 ( -5.460 -2.352 -4.890) 7.698 6.042 ( 0.751 0.115 0.671) 1.014 6.115 ( -1.550 1.938 3.523) 4.309 6.170 ( 0.872 1.144 0.588) 1.554 6.241 ( -0.122 -1.917 4.802) 5.172 6.441 ( 0.756 0.835 -1.920) 2.226 7.126 ( -6.557 1.620 -0.470) 6.771 7.296 ( -8.562 -0.895 -0.192) 8.611 8.038 ( -0.626 1.512 -0.378) 1.680 8.165 ( -2.000 -0.005 -2.038) 2.856 8.281 ( 0.288 4.177 -0.457) 4.212 8.413 ( -1.716 -0.736 0.340) 1.898 12.802 ( 0.281 -0.615 -0.006) 0.676 12.824 ( 0.882 -0.241 -0.831) 1.235 13.492 ( -0.111 -0.044 0.784) 0.793 13.532 ( -0.081 -0.083 0.003) 0.116 23.034 ( 2.764 -3.028 -0.047) 4.101 23.699 ( 6.737 -4.056 -0.542) 7.883 24.169 ( 1.896 -0.668 4.726) 5.135 24.716 ( 5.891 -0.735 -3.350) 6.817 ======================= Grid point 115 (52/160) ======================= q-point: ( 0.56 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.137 ( -0.187 1.407 4.926) 5.127 1.291 ( -0.729 -0.007 -6.935) 6.973 2.078 ( -5.578 0.851 4.986) 7.530 2.102 ( -4.639 0.099 13.829) 14.586 2.388 ( 3.233 -12.276 2.500) 12.938 2.500 ( 3.608 -3.083 -4.921) 6.837 2.614 ( 0.823 -9.322 -8.528) 12.661 2.993 ( 2.681 8.821 3.320) 9.799 3.179 ( 1.092 9.952 3.733) 10.685 3.314 ( 0.299 -2.095 -6.238) 6.587 3.446 ( -2.641 2.524 -1.201) 3.846 3.539 ( 5.484 8.383 -8.933) 13.422 3.636 ( -0.504 -5.139 5.255) 7.367 3.951 ( -0.835 -4.178 0.151) 4.263 4.025 ( 2.501 -3.129 3.093) 5.061 4.138 ( -1.904 1.963 0.282) 2.749 4.359 ( 0.435 0.268 -5.657) 5.681 4.572 ( -1.957 -0.163 -3.549) 4.056 4.730 ( -0.690 -1.552 4.931) 5.215 4.767 ( 6.541 -2.525 -4.052) 8.098 4.810 ( 0.957 -0.567 0.966) 1.473 4.980 ( -2.588 3.175 -1.938) 4.532 5.391 ( 0.549 -3.410 1.042) 3.608 6.037 ( -0.460 0.470 -0.908) 1.121 6.081 ( -2.442 1.712 3.542) 4.630 6.170 ( 2.247 0.919 0.296) 2.445 6.274 ( -2.133 -0.571 4.370) 4.896 6.419 ( 0.797 1.352 -1.731) 2.337 7.069 ( -0.848 0.269 -1.485) 1.732 7.248 ( -5.149 -1.559 -1.292) 5.533 8.001 ( 0.397 2.419 -0.133) 2.455 8.138 ( -1.180 0.405 -2.571) 2.858 8.221 ( 1.560 3.853 2.329) 4.764 8.410 ( -1.332 -0.667 -0.018) 1.490 12.815 ( 0.084 -0.458 0.020) 0.466 12.835 ( 0.965 -0.420 -0.565) 1.194 13.495 ( -0.233 -0.005 0.845) 0.876 13.535 ( 0.021 -0.176 0.175) 0.249 23.115 ( 2.167 -3.440 0.583) 4.107 23.822 ( 1.636 -6.181 -3.064) 7.090 24.214 ( 0.480 -0.311 5.569) 5.598 24.761 ( 3.749 0.019 -0.471) 3.779 ======================= Grid point 116 (53/160) ======================= q-point: (-0.33 -0.67 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.137 ( -1.609 0.141 4.386) 4.674 1.258 ( 0.557 -1.005 -7.708) 7.793 2.008 ( -0.688 2.423 4.139) 4.845 2.163 ( -8.072 -3.390 12.109) 14.942 2.450 ( -7.105 8.085 -4.474) 11.656 2.663 ( 6.834 -7.634 -0.372) 10.253 2.688 ( 1.023 -11.946 -1.848) 12.132 3.010 ( 11.252 2.968 6.242) 13.205 3.061 ( 0.810 7.185 5.560) 9.121 3.241 ( -0.551 5.947 -5.934) 8.419 3.377 ( -1.645 3.190 -4.534) 5.783 3.476 ( 2.943 -3.258 -7.666) 8.834 3.740 ( -0.643 -5.040 1.684) 5.353 3.940 ( -1.820 3.876 2.899) 5.171 4.094 ( -0.793 -1.684 1.946) 2.693 4.139 ( -0.129 -3.054 1.099) 3.248 4.325 ( -0.576 0.465 -5.395) 5.445 4.506 ( -5.031 2.033 -5.467) 7.703 4.695 ( -3.987 3.751 3.237) 6.359 4.802 ( 1.968 -1.002 -3.749) 4.351 4.862 ( 1.939 1.953 -3.161) 4.191 4.950 ( 0.136 -5.762 0.142) 5.766 5.483 ( 4.202 -2.492 4.124) 6.393 6.016 ( -1.030 -0.111 -2.126) 2.365 6.051 ( -2.060 1.189 2.889) 3.742 6.182 ( 3.301 1.208 0.539) 3.557 6.267 ( -3.838 -0.045 2.744) 4.718 6.400 ( 1.017 0.754 -1.392) 1.881 7.079 ( 2.152 -1.113 -1.069) 2.648 7.233 ( -3.057 -2.035 -1.765) 4.075 7.970 ( 0.956 1.836 0.608) 2.158 8.101 ( -1.600 0.644 -2.179) 2.779 8.216 ( 3.611 1.638 3.400) 5.223 8.408 ( -1.055 -0.558 -0.698) 1.383 12.815 ( -0.358 0.303 -0.019) 0.470 12.848 ( 0.850 -0.269 -0.355) 0.960 13.495 ( -0.332 0.103 0.852) 0.920 13.540 ( 0.036 -0.218 0.249) 0.333 23.192 ( 2.700 -2.135 1.840) 3.903 23.886 ( -4.491 -5.517 -6.909) 9.916 24.249 ( 0.819 0.335 6.416) 6.476 24.772 ( 2.547 2.501 0.772) 3.652 ======================= Grid point 117 (54/160) ======================= q-point: (-0.22 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( -1.941 -1.929 3.596) 4.519 1.256 ( 1.549 -1.244 -4.965) 5.347 2.014 ( 3.194 4.509 9.717) 11.178 2.145 ( -6.969 11.685 3.293) 13.998 2.217 ( -7.828 -5.481 -1.392) 9.657 2.817 ( 0.655 1.476 1.290) 2.067 2.840 ( 1.737 -7.166 0.175) 7.376 3.013 ( 5.630 5.425 3.696) 8.648 3.067 ( 7.956 4.695 5.058) 10.532 3.187 ( 2.864 -3.188 -1.967) 4.715 3.290 ( -0.415 0.431 -6.025) 6.054 3.540 ( -0.371 -3.749 -3.470) 5.122 3.807 ( -0.583 -3.530 -2.358) 4.285 3.873 ( 0.402 4.052 4.540) 6.099 4.100 ( -3.510 -1.305 -4.173) 5.607 4.183 ( -0.539 0.043 3.234) 3.279 4.274 ( -1.297 1.823 -4.463) 4.992 4.379 ( -4.488 2.918 -1.359) 5.523 4.564 ( -5.238 6.388 0.474) 8.274 4.814 ( -1.466 2.382 -2.806) 3.962 4.870 ( 4.230 -5.336 -1.126) 6.902 5.054 ( 2.552 -4.347 -3.391) 6.075 5.581 ( 4.287 -1.724 4.346) 6.344 6.004 ( -1.466 -0.836 -2.432) 2.960 6.029 ( -1.347 0.343 1.021) 1.724 6.183 ( 1.552 2.823 2.393) 4.013 6.246 ( -2.801 -1.296 -0.757) 3.178 6.404 ( 1.057 -0.731 -0.985) 1.619 7.131 ( 2.082 -2.645 1.093) 3.539 7.235 ( -2.833 -2.467 -1.364) 3.996 7.968 ( 0.513 -0.048 1.103) 1.217 8.073 ( -1.514 -0.266 -1.804) 2.370 8.259 ( 4.997 0.223 3.570) 6.146 8.401 ( -1.075 -0.574 -1.693) 2.086 12.801 ( -0.512 0.638 -0.118) 0.826 12.853 ( 0.518 0.260 -0.363) 0.684 13.493 ( -0.374 0.210 0.807) 0.914 13.544 ( -0.034 -0.179 0.191) 0.264 23.255 ( 4.192 0.117 3.330) 5.355 23.845 ( -9.457 -2.266 -9.324) 13.472 24.276 ( 1.297 1.492 5.278) 5.637 24.735 ( 3.680 5.407 0.254) 6.545 ======================= Grid point 118 (55/160) ======================= q-point: (-0.11 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( -3.147 -0.735 1.701) 3.652 1.292 ( 2.490 -2.000 0.903) 3.319 1.871 ( -0.079 14.142 5.991) 15.358 1.966 ( -0.083 10.878 10.746) 15.292 2.337 ( -3.369 -12.638 -2.505) 13.317 2.712 ( -4.684 4.726 -0.205) 6.657 2.934 ( 10.256 15.415 8.728) 20.469 2.970 ( 4.804 -2.867 3.220) 6.455 3.097 ( 3.191 -1.410 -9.926) 10.521 3.243 ( -4.058 -8.020 0.146) 8.989 3.403 ( 8.113 -5.310 1.892) 9.879 3.535 ( -0.942 2.167 0.370) 2.392 3.786 ( -6.916 2.587 -5.635) 9.289 3.843 ( 1.594 2.921 3.171) 4.597 4.032 ( -3.317 -1.039 -8.632) 9.306 4.166 ( 0.360 1.950 -1.337) 2.392 4.198 ( -2.205 2.681 -1.262) 3.694 4.340 ( -0.944 3.655 10.053) 10.738 4.456 ( 1.003 1.872 -0.808) 2.272 4.725 ( -2.374 3.799 -2.917) 5.346 5.017 ( 1.010 -7.844 0.909) 7.960 5.103 ( 4.149 -1.707 -9.110) 10.155 5.661 ( 2.490 -1.445 3.385) 4.444 5.970 ( -2.635 1.627 -0.020) 3.097 6.037 ( 0.219 -1.589 -1.989) 2.555 6.152 ( -2.388 0.990 2.492) 3.591 6.236 ( 0.514 0.924 -2.739) 2.936 6.431 ( 0.506 -1.845 -1.103) 2.208 7.215 ( -3.104 -5.676 3.113) 7.179 7.263 ( -0.251 -3.794 1.428) 4.062 7.984 ( -0.634 -1.179 1.041) 1.696 8.061 ( -1.139 -0.825 -1.486) 2.046 8.326 ( 3.129 -0.810 2.629) 4.166 8.401 ( 0.380 -1.809 -2.423) 3.048 12.788 ( -0.191 0.319 -0.108) 0.387 12.847 ( 0.361 0.632 -0.659) 0.982 13.490 ( -0.329 0.257 0.734) 0.845 13.546 ( -0.133 -0.097 0.030) 0.168 23.301 ( 5.931 2.320 4.216) 7.638 23.693 ( -10.845 3.058 -9.375) 14.658 24.262 ( 0.687 3.943 2.914) 4.951 24.679 ( 7.112 6.300 -2.139) 9.739 ======================= Grid point 123 (56/160) ======================= q-point: ( 0.44 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( -3.204 -0.000 9.043) 9.594 1.281 ( 3.474 0.000 -8.677) 9.347 2.016 ( -6.162 -0.000 19.083) 20.053 2.187 ( -10.582 -0.000 -2.697) 10.920 2.224 ( 6.607 0.000 7.162) 9.744 2.314 ( 4.649 0.000 -7.143) 8.523 2.444 ( 3.230 0.000 -4.074) 5.199 3.122 ( -3.149 -0.000 -9.110) 9.639 3.272 ( 3.770 0.000 -1.109) 3.930 3.485 ( 3.925 0.000 10.374) 11.092 3.490 ( -4.064 -0.000 -4.792) 6.283 3.623 ( 3.592 0.000 4.382) 5.666 3.631 ( -3.718 -0.000 3.873) 5.369 3.835 ( 4.150 0.000 1.020) 4.274 3.912 ( 4.244 0.000 -12.055) 12.780 4.202 ( 1.390 0.000 1.468) 2.021 4.396 ( 1.749 0.000 -6.393) 6.628 4.511 ( -2.840 -0.000 -3.866) 4.797 4.622 ( -5.973 -0.000 3.496) 6.921 4.728 ( 6.263 0.000 -4.120) 7.497 4.883 ( 1.848 0.000 1.327) 2.275 5.027 ( -1.386 -0.000 -1.136) 1.792 5.320 ( 2.012 0.000 2.056) 2.876 6.044 ( -0.454 -0.000 -0.902) 1.010 6.121 ( -1.597 -0.000 0.463) 1.663 6.212 ( -2.654 -0.000 6.461) 6.985 6.236 ( 1.652 0.000 3.132) 3.541 6.447 ( 0.948 0.000 -1.838) 2.068 7.081 ( -4.175 -0.000 -0.795) 4.250 7.213 ( -5.206 -0.000 -2.184) 5.646 8.045 ( -0.222 -0.000 0.090) 0.239 8.142 ( -0.283 -0.000 -1.692) 1.715 8.324 ( 0.898 0.000 0.313) 0.951 8.393 ( -1.231 -0.000 0.089) 1.234 12.798 ( 0.043 0.000 -0.013) 0.045 12.827 ( 0.946 0.000 -0.594) 1.117 13.494 ( -0.180 -0.000 0.863) 0.882 13.532 ( 0.049 0.000 0.167) 0.174 23.036 ( 2.153 0.000 1.543) 2.648 23.702 ( 2.903 0.000 -2.800) 4.033 24.203 ( 0.208 0.000 6.275) 6.278 24.756 ( 5.646 0.000 -0.870) 5.713 ======================= Grid point 124 (57/160) ======================= q-point: (-0.44 -0.56 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.184 ( -3.304 1.621 8.141) 8.934 1.260 ( 1.847 0.512 -9.171) 9.369 2.016 ( -11.772 -0.499 6.899) 13.654 2.088 ( -9.693 -2.139 6.757) 12.008 2.333 ( 7.052 -2.864 5.949) 9.660 2.414 ( 3.282 -6.938 -5.979) 9.729 2.524 ( 9.179 -2.121 2.007) 9.632 3.044 ( -3.449 -1.276 -9.369) 10.065 3.278 ( 1.669 0.872 -2.271) 2.950 3.364 ( -3.043 7.087 0.185) 7.715 3.502 ( 0.087 6.779 3.549) 7.652 3.582 ( 0.912 -2.951 6.316) 7.031 3.728 ( 4.714 9.529 -5.303) 11.880 3.827 ( -1.775 -8.004 1.583) 8.349 3.984 ( 3.267 -4.734 -2.688) 6.349 4.179 ( -1.746 3.703 -0.043) 4.094 4.351 ( 0.829 1.935 -6.622) 6.948 4.481 ( -4.841 -2.962 -6.515) 8.640 4.626 ( -4.930 -6.149 -0.193) 7.884 4.778 ( 5.234 -1.967 -3.199) 6.442 4.839 ( -3.780 3.394 0.725) 5.132 5.001 ( 0.026 1.573 -1.140) 1.943 5.410 ( 7.183 -1.273 6.458) 9.743 6.024 ( -1.685 0.182 -2.466) 2.993 6.100 ( -1.552 1.140 1.703) 2.570 6.203 ( -1.556 0.708 4.455) 4.772 6.271 ( -0.612 -0.283 4.208) 4.261 6.440 ( 1.152 0.895 -1.767) 2.291 7.057 ( 0.136 -0.285 -1.296) 1.334 7.176 ( -1.785 -1.085 -3.323) 3.925 8.037 ( 0.443 1.182 0.352) 1.310 8.136 ( 0.920 0.727 -1.523) 1.923 8.312 ( 1.908 3.133 1.908) 4.135 8.388 ( -0.692 -0.569 -0.447) 1.001 12.804 ( -0.130 -0.691 -0.101) 0.711 12.836 ( 0.884 -0.247 -0.267) 0.956 13.496 ( -0.277 -0.009 0.922) 0.963 13.535 ( 0.160 -0.070 0.315) 0.360 23.086 ( 1.248 -2.736 2.506) 3.915 23.718 ( -1.828 -3.194 -4.841) 6.081 24.234 ( -1.484 -0.606 6.976) 7.158 24.807 ( 4.662 0.253 1.440) 4.886 ======================= Grid point 125 (58/160) ======================= q-point: (-0.33 -0.56 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( -5.407 1.646 1.985) 5.991 1.242 ( 3.804 0.232 -5.602) 6.775 1.943 ( -10.118 -3.432 -1.479) 10.786 2.092 ( -11.955 -3.514 12.188) 17.431 2.436 ( -3.403 2.419 -2.930) 5.101 2.517 ( 2.686 -8.582 1.985) 9.210 2.700 ( 15.540 -3.721 4.977) 16.736 3.050 ( -0.776 -6.324 -7.831) 10.096 3.222 ( 1.449 8.754 5.508) 10.444 3.300 ( 0.575 -2.721 -3.295) 4.312 3.397 ( -1.158 7.335 4.417) 8.640 3.548 ( 4.695 9.960 -9.473) 14.526 3.663 ( -1.335 -3.045 2.807) 4.352 3.927 ( -3.200 -5.370 0.973) 6.326 4.051 ( -3.539 -1.259 -3.750) 5.308 4.097 ( -0.270 0.145 2.165) 2.187 4.292 ( -1.685 0.662 -6.229) 6.487 4.433 ( -5.025 -0.623 -5.414) 7.413 4.696 ( -3.653 -5.853 -4.812) 8.411 4.739 ( -5.267 3.472 4.190) 7.573 4.868 ( 5.313 -2.949 -0.979) 6.155 4.974 ( 4.965 2.516 -1.085) 5.671 5.527 ( 6.094 -1.081 5.674) 8.397 5.985 ( -2.391 0.017 -3.831) 4.516 6.074 ( -1.735 1.596 3.348) 4.095 6.208 ( -0.913 -0.442 2.636) 2.825 6.273 ( -0.826 1.407 3.651) 3.999 6.424 ( 1.454 1.356 -1.545) 2.518 7.074 ( 1.820 -0.888 -1.050) 2.281 7.178 ( 1.169 -1.383 -3.974) 4.367 8.020 ( 1.099 2.015 0.812) 2.435 8.101 ( -0.808 2.237 -2.158) 3.212 8.303 ( 3.411 2.034 3.367) 5.207 8.392 ( 0.655 -0.166 -0.819) 1.062 12.810 ( -0.476 -0.330 -0.231) 0.624 12.849 ( 0.718 -0.405 0.021) 0.825 13.498 ( -0.370 0.051 0.932) 1.004 13.540 ( 0.178 -0.088 0.378) 0.427 23.175 ( 1.820 -4.132 3.592) 5.769 23.713 ( -6.581 -4.208 -7.225) 10.641 24.268 ( -2.121 -1.295 7.117) 7.538 24.841 ( 3.422 1.534 2.298) 4.398 ======================= Grid point 126 (59/160) ======================= q-point: (-0.22 -0.56 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( -3.421 -2.271 -1.524) 4.380 1.255 ( 3.334 -0.053 -1.960) 3.868 1.942 ( -8.821 -8.582 -3.715) 12.856 2.089 ( -12.989 -3.660 8.926) 16.180 2.288 ( -0.296 9.457 1.670) 9.608 2.665 ( -2.810 -6.955 -0.241) 7.505 2.959 ( 15.149 -2.538 7.722) 17.192 3.053 ( -4.046 -1.889 -8.572) 9.665 3.161 ( 5.040 4.339 -1.954) 6.932 3.298 ( 3.387 6.701 10.958) 13.284 3.335 ( -0.117 1.998 0.102) 2.004 3.446 ( 2.521 -2.119 -7.807) 8.473 3.710 ( -1.994 -4.388 -2.289) 5.336 3.952 ( -3.436 -0.939 1.441) 3.842 3.987 ( -3.890 0.368 -4.013) 5.601 4.136 ( -3.138 -3.145 -1.484) 4.684 4.243 ( -2.362 -0.253 -3.721) 4.415 4.392 ( -0.303 -0.245 1.714) 1.758 4.609 ( -5.843 4.934 1.390) 7.773 4.737 ( -3.707 -3.143 -4.509) 6.630 4.898 ( 3.809 1.407 -0.828) 4.144 5.054 ( 9.114 -1.511 -0.419) 9.248 5.613 ( 3.321 -0.899 4.127) 5.373 5.953 ( -1.467 -1.331 -4.406) 4.830 6.042 ( -2.617 1.802 3.238) 4.536 6.212 ( -2.225 0.196 0.429) 2.274 6.261 ( 2.024 1.875 3.771) 4.673 6.412 ( 1.475 0.867 -1.222) 2.103 7.100 ( -0.136 -1.551 -0.414) 1.611 7.199 ( 2.853 -0.857 -3.156) 4.339 7.994 ( 0.071 2.135 0.722) 2.255 8.055 ( -0.758 0.533 -1.368) 1.652 8.329 ( 2.507 0.584 2.388) 3.512 8.394 ( 2.350 1.090 -0.655) 2.672 12.803 ( -0.659 0.288 -0.316) 0.785 12.859 ( 0.356 -0.032 0.082) 0.367 13.497 ( -0.441 0.144 0.877) 0.992 13.544 ( 0.099 -0.042 0.332) 0.349 23.288 ( 3.802 -3.302 4.777) 6.941 23.661 ( -9.338 -3.531 -8.743) 13.271 24.303 ( -2.076 -1.120 6.036) 6.480 24.839 ( 2.634 3.189 1.318) 4.341 ======================= Grid point 127 (60/160) ======================= q-point: (-0.11 -0.56 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( -2.028 -3.222 -1.515) 4.098 1.293 ( 2.659 -1.258 1.193) 3.175 1.990 ( -7.793 -4.511 -0.478) 9.017 2.068 ( -8.685 -5.577 2.364) 10.588 2.193 ( 4.774 7.337 8.651) 12.307 2.683 ( -4.505 -1.749 -3.170) 5.779 2.954 ( -5.500 -0.232 -6.177) 8.274 3.060 ( 1.645 5.237 -7.928) 9.643 3.161 ( 7.898 -1.098 0.408) 7.985 3.302 ( 2.331 6.766 13.662) 15.423 3.383 ( 5.716 -5.067 2.488) 8.034 3.528 ( 4.519 -4.381 0.030) 6.294 3.714 ( -7.218 0.194 -4.584) 8.553 3.911 ( -1.726 -2.960 -10.265) 10.822 3.941 ( 0.582 3.007 5.292) 6.115 4.154 ( 0.329 -1.753 -0.741) 1.931 4.214 ( -1.078 0.645 -1.393) 1.875 4.416 ( -4.596 1.115 6.846) 8.321 4.501 ( 0.233 2.095 -0.341) 2.135 4.703 ( -1.608 0.124 -4.563) 4.839 4.943 ( 1.330 -2.850 2.372) 3.940 5.118 ( 6.943 1.790 -5.429) 8.994 5.664 ( 0.666 -0.946 2.309) 2.583 5.964 ( 0.296 -1.989 -2.594) 3.282 6.001 ( -2.529 0.592 0.997) 2.782 6.165 ( -2.357 2.259 0.809) 3.363 6.278 ( 2.939 1.598 1.989) 3.892 6.412 ( 0.732 -0.258 -1.013) 1.276 7.118 ( -2.395 -2.322 -0.512) 3.375 7.236 ( 2.221 -1.896 0.324) 2.938 7.969 ( -1.158 0.138 -0.269) 1.197 8.049 ( 0.511 0.096 0.158) 0.543 8.335 ( -0.917 -0.024 -1.337) 1.622 8.407 ( 3.741 0.930 1.267) 4.057 12.790 ( -0.339 0.284 -0.242) 0.504 12.857 ( 0.115 0.477 -0.174) 0.521 13.494 ( -0.431 0.184 0.793) 0.921 13.546 ( -0.020 0.041 0.199) 0.204 23.384 ( 3.109 -0.401 3.420) 4.640 23.585 ( -5.841 -1.693 -6.505) 8.905 24.315 ( -1.759 0.760 4.015) 4.449 24.802 ( 2.683 3.959 -0.977) 4.882 ======================= Grid point 133 (61/160) ======================= q-point: (-0.44 -0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( -3.836 -0.000 7.766) 8.662 1.236 ( 0.975 0.000 -9.010) 9.063 1.916 ( -13.522 -0.000 -4.939) 14.396 1.969 ( -15.346 -0.000 16.020) 22.184 2.364 ( 3.858 0.000 -3.048) 4.917 2.437 ( 9.189 0.000 5.906) 10.923 2.647 ( 13.831 0.000 7.230) 15.607 2.902 ( -7.929 -0.000 -13.135) 15.342 3.242 ( -3.105 -0.000 -8.764) 9.298 3.423 ( -0.155 -0.000 5.946) 5.948 3.570 ( -2.686 -0.000 5.237) 5.886 3.636 ( -2.623 -0.000 2.722) 3.780 3.712 ( 0.664 0.000 4.151) 4.203 3.859 ( 3.464 0.000 -10.725) 11.270 3.951 ( 4.332 0.000 3.737) 5.721 4.185 ( -4.154 -0.000 -4.988) 6.491 4.333 ( -5.736 -0.000 -7.376) 9.344 4.376 ( 2.263 0.000 -6.328) 6.720 4.502 ( -5.837 -0.000 -1.332) 5.987 4.767 ( 0.713 0.000 -2.796) 2.885 4.849 ( -2.427 -0.000 2.571) 3.535 5.024 ( 3.529 0.000 -1.205) 3.729 5.512 ( 7.765 0.000 7.105) 10.525 5.986 ( -3.166 -0.000 -3.891) 5.016 6.108 ( -0.479 -0.000 1.399) 1.479 6.202 ( -4.346 -0.000 5.948) 7.367 6.294 ( 0.230 0.000 4.563) 4.569 6.451 ( 1.425 0.000 -1.724) 2.236 7.060 ( 2.970 0.000 -1.664) 3.404 7.149 ( 1.929 0.000 -4.514) 4.909 8.053 ( 0.666 0.000 0.432) 0.794 8.156 ( 2.240 0.000 -0.890) 2.411 8.370 ( -0.734 -0.000 -1.020) 1.256 8.376 ( 3.554 0.000 2.017) 4.086 12.795 ( -0.255 -0.000 -0.170) 0.307 12.841 ( 0.733 0.000 -0.045) 0.734 13.498 ( -0.343 -0.000 0.989) 1.047 13.538 ( 0.278 0.000 0.430) 0.512 23.079 ( -0.556 -0.000 3.705) 3.747 23.633 ( -5.177 -0.000 -5.712) 7.709 24.238 ( -3.721 -0.000 7.320) 8.211 24.867 ( 4.539 0.000 3.295) 5.609 ======================= Grid point 134 (62/160) ======================= q-point: (-0.33 -0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.131 ( -4.757 3.959 -1.482) 6.364 1.242 ( 0.588 -1.683 -1.588) 2.387 1.760 ( -15.151 -1.703 -3.741) 15.699 1.933 ( -16.489 -3.866 12.771) 21.212 2.383 ( -2.459 -2.467 -4.563) 5.741 2.556 ( 8.274 0.771 7.266) 11.038 2.826 ( -6.442 -7.264 -11.417) 14.987 2.836 ( 14.810 -1.873 6.452) 16.262 3.193 ( -2.105 -3.426 -7.747) 8.729 3.405 ( 1.359 6.636 9.384) 11.573 3.522 ( -3.404 3.914 1.394) 5.371 3.589 ( -3.716 0.290 -3.010) 4.791 3.762 ( 1.460 4.490 -1.141) 4.858 3.791 ( 0.114 -0.457 -0.072) 0.477 3.988 ( -1.665 -0.120 -1.058) 1.976 4.092 ( -4.411 0.066 -3.598) 5.692 4.264 ( -2.642 1.460 -2.696) 4.047 4.366 ( -0.220 -0.890 -4.454) 4.547 4.522 ( -2.949 -7.090 -4.520) 8.911 4.752 ( -4.503 1.255 1.028) 4.786 4.862 ( 3.084 -2.813 1.209) 4.346 5.057 ( 7.066 1.194 -1.678) 7.361 5.609 ( 6.009 0.350 5.688) 8.282 5.930 ( -4.079 -0.360 -5.047) 6.499 6.103 ( -0.931 1.371 3.358) 3.745 6.195 ( -3.253 -0.522 4.569) 5.633 6.310 ( -0.355 0.740 4.845) 4.914 6.451 ( 1.732 0.797 -1.539) 2.450 7.088 ( 4.371 0.396 -1.976) 4.813 7.167 ( 4.863 -1.015 -5.156) 7.160 8.057 ( 1.154 0.766 0.506) 1.475 8.140 ( 0.449 3.342 -1.757) 3.802 8.349 ( -0.028 0.707 -0.261) 0.754 8.428 ( 5.371 0.322 1.744) 5.656 12.796 ( -0.394 -0.528 -0.305) 0.725 12.849 ( 0.497 -0.284 0.153) 0.593 13.500 ( -0.412 0.032 1.020) 1.101 13.543 ( 0.303 0.001 0.465) 0.555 23.126 ( -0.782 -4.245 4.598) 6.307 23.555 ( -8.376 -1.889 -6.765) 10.932 24.243 ( -4.935 -1.457 7.138) 8.799 24.915 ( 3.537 1.357 4.003) 5.511 ======================= Grid point 135 (63/160) ======================= q-point: (-0.22 -0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( -4.260 0.508 -2.648) 5.041 1.264 ( 0.706 -1.330 -1.936) 2.453 1.669 ( -14.718 -7.181 -4.533) 16.992 1.903 ( -15.773 -4.587 9.789) 19.122 2.371 ( -4.402 -3.123 -2.414) 5.913 2.611 ( 3.017 2.809 5.448) 6.832 2.849 ( -7.348 -7.202 -10.946) 15.023 3.037 ( 9.728 -5.092 -1.935) 11.150 3.267 ( 4.116 -6.177 -1.344) 7.543 3.347 ( 2.445 7.765 9.572) 12.565 3.432 ( -1.414 1.187 -3.901) 4.316 3.508 ( 0.964 6.155 1.474) 6.402 3.661 ( 0.277 4.266 -0.955) 4.380 3.801 ( -6.513 -3.141 -3.082) 7.860 3.996 ( -0.350 -2.628 2.618) 3.726 4.050 ( -3.916 -0.665 -1.943) 4.422 4.213 ( -2.325 0.455 -0.236) 2.381 4.369 ( -0.620 -1.531 -1.537) 2.256 4.584 ( -2.882 -5.308 -3.795) 7.134 4.662 ( -5.424 3.221 2.318) 6.721 4.951 ( 5.149 -0.274 -3.078) 6.005 5.133 ( 10.868 -1.203 0.375) 10.940 5.661 ( 2.382 1.094 3.334) 4.241 5.889 ( -1.879 -1.745 -4.729) 5.380 6.068 ( -3.445 2.616 4.323) 6.116 6.201 ( -0.929 -0.347 1.321) 1.652 6.320 ( 0.171 0.896 6.252) 6.318 6.444 ( 2.058 1.352 -1.334) 2.800 7.100 ( 3.221 1.036 -2.291) 4.087 7.210 ( 5.323 -0.536 -4.380) 6.914 8.044 ( -0.798 4.105 -0.735) 4.246 8.064 ( 0.562 1.077 -0.538) 1.328 8.343 ( 0.146 0.305 -0.596) 0.685 8.474 ( 5.794 1.899 1.595) 6.302 12.796 ( -0.539 -0.137 -0.437) 0.707 12.859 ( 0.154 -0.307 0.240) 0.419 13.499 ( -0.515 0.121 0.967) 1.102 13.548 ( 0.227 0.066 0.413) 0.476 23.255 ( 2.022 -7.047 5.530) 9.183 23.470 ( -10.058 -2.970 -7.741) 13.035 24.265 ( -5.001 -2.684 6.165) 8.380 24.918 ( 1.335 3.127 2.718) 4.353 ======================= Grid point 136 (64/160) ======================= q-point: (-0.11 -0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( -1.512 -4.032 -2.130) 4.804 1.296 ( 1.431 -2.248 -0.267) 2.679 1.689 ( -11.492 -12.583 -3.496) 17.396 1.909 ( -12.031 -6.884 7.990) 16.000 2.377 ( 1.764 1.528 1.541) 2.797 2.588 ( -3.413 0.080 -1.501) 3.730 2.792 ( -8.747 -2.398 -9.782) 13.340 3.145 ( 0.775 -4.589 -6.226) 7.773 3.236 ( 4.175 8.983 -3.798) 10.608 3.382 ( 2.098 2.538 5.984) 6.830 3.405 ( -0.446 -2.212 -0.503) 2.312 3.557 ( 5.146 -0.432 9.660) 10.954 3.627 ( -1.368 -2.433 -0.775) 2.897 3.791 ( 0.838 -4.327 -4.692) 6.437 4.004 ( -2.342 1.173 2.347) 3.517 4.102 ( 2.168 -5.763 1.632) 6.370 4.196 ( -1.563 -0.340 -0.175) 1.609 4.360 ( -6.146 -0.867 -0.975) 6.283 4.535 ( -2.867 3.950 -0.143) 4.883 4.669 ( 0.343 -4.128 1.006) 4.262 4.957 ( 3.284 1.269 -1.838) 3.971 5.226 ( 9.063 3.284 -2.362) 9.925 5.670 ( 0.221 -0.287 0.804) 0.882 5.911 ( 1.591 -2.678 -2.581) 4.046 6.003 ( -4.352 2.073 2.489) 5.425 6.186 ( -0.927 1.560 -0.019) 1.815 6.345 ( 1.329 1.201 6.230) 6.482 6.431 ( 1.971 1.676 -1.286) 2.889 7.097 ( 2.046 0.859 -2.394) 3.264 7.237 ( 2.550 -0.350 -1.432) 2.945 7.970 ( -1.022 1.860 -1.349) 2.515 8.069 ( 1.545 0.543 1.035) 1.938 8.325 ( -0.583 0.964 -1.905) 2.213 8.484 ( 3.301 2.841 1.296) 4.544 12.789 ( -0.372 0.108 -0.372) 0.537 12.862 ( -0.159 0.125 0.056) 0.210 13.496 ( -0.577 0.142 0.851) 1.038 13.549 ( 0.102 0.160 0.301) 0.355 23.356 ( -6.331 -1.464 -3.646) 7.451 23.479 ( 3.761 -7.999 2.084) 9.081 24.293 ( -4.190 -2.382 4.482) 6.582 24.865 ( -1.559 3.500 -0.125) 3.834 ======================= Grid point 143 (65/160) ======================= q-point: (-0.33 -0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( -5.407 -0.000 -6.179) 8.211 1.191 ( -4.209 -0.000 3.839) 5.697 1.563 ( -17.601 -0.000 -5.363) 18.399 1.833 ( -14.201 -0.000 17.817) 22.784 2.237 ( -16.683 -0.000 -11.059) 20.016 2.661 ( -1.346 -0.000 -6.145) 6.291 2.693 ( 10.230 0.000 6.967) 12.377 2.965 ( 8.319 0.000 -1.886) 8.530 3.119 ( 2.067 0.000 -1.169) 2.375 3.415 ( -9.598 -0.000 -14.028) 16.998 3.560 ( 4.042 0.000 14.171) 14.736 3.572 ( -3.803 -0.000 4.477) 5.874 3.735 ( -2.551 -0.000 4.752) 5.393 3.884 ( 4.584 0.000 -3.807) 5.959 3.987 ( -6.100 -0.000 -4.688) 7.694 4.032 ( 0.416 0.000 2.479) 2.514 4.259 ( -0.417 -0.000 -1.979) 2.022 4.343 ( 0.484 0.000 -5.685) 5.705 4.395 ( -2.432 -0.000 -4.500) 5.115 4.722 ( -2.346 -0.000 -1.079) 2.582 4.843 ( -1.864 -0.000 2.267) 2.935 5.132 ( 8.754 0.000 -2.360) 9.067 5.700 ( 5.929 0.000 5.335) 7.976 5.848 ( -5.968 -0.000 -6.116) 8.545 6.133 ( 0.394 0.000 3.826) 3.846 6.179 ( -4.387 -0.000 6.141) 7.547 6.336 ( -0.983 -0.000 5.939) 6.020 6.467 ( 1.848 0.000 -1.519) 2.392 7.149 ( 8.188 0.000 -2.322) 8.511 7.177 ( 5.930 0.000 -6.675) 8.928 8.078 ( 1.582 0.000 0.208) 1.596 8.177 ( 0.813 0.000 -1.639) 1.830 8.343 ( -0.720 -0.000 -1.766) 1.907 8.497 ( 6.608 0.000 1.688) 6.820 12.786 ( -0.251 -0.000 -0.346) 0.428 12.851 ( 0.225 0.000 0.118) 0.254 13.501 ( -0.407 -0.000 1.118) 1.190 13.549 ( 0.333 0.000 0.467) 0.574 23.088 ( -3.079 -0.000 5.066) 5.928 23.420 ( -9.962 -0.000 -6.372) 11.826 24.208 ( -6.639 -0.000 6.723) 9.448 24.986 ( 3.584 0.000 4.928) 6.094 ======================= Grid point 144 (66/160) ======================= q-point: (-0.22 -0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.991 ( -9.429 2.646 -1.233) 9.871 1.173 ( -8.374 -3.344 -3.760) 9.769 1.408 ( -14.705 -3.404 -2.265) 15.263 1.806 ( -10.111 0.534 16.207) 19.110 2.059 ( -23.924 -11.425 -10.227) 28.416 2.681 ( 0.474 -2.833 -2.969) 4.131 2.784 ( 7.853 4.553 6.193) 10.989 2.977 ( 1.576 -2.991 -11.366) 11.858 3.227 ( 3.873 -3.867 1.291) 5.623 3.292 ( -4.009 -3.903 -11.834) 13.090 3.522 ( -2.416 3.325 6.195) 7.435 3.631 ( 3.110 4.138 11.237) 12.372 3.723 ( -4.099 1.878 3.799) 5.896 3.841 ( 6.130 7.694 -5.996) 11.520 3.965 ( -0.298 -2.005 2.167) 2.967 3.986 ( -5.878 0.418 2.091) 6.253 4.213 ( -2.043 2.441 -0.303) 3.198 4.327 ( -0.676 -0.976 -3.920) 4.096 4.432 ( -1.144 -7.015 -3.679) 8.004 4.679 ( -4.171 2.305 1.374) 4.960 4.917 ( 3.046 -7.094 -3.169) 8.345 5.212 ( 10.496 -1.049 -1.928) 10.723 5.711 ( -2.518 2.873 -1.923) 4.276 5.823 ( 1.658 -2.889 -0.177) 3.336 6.112 ( -3.576 3.541 5.664) 7.577 6.191 ( -0.877 -1.069 2.706) 3.039 6.362 ( -0.459 0.027 9.069) 9.081 6.473 ( 2.046 0.508 -1.343) 2.500 7.166 ( 6.343 2.568 -5.284) 8.646 7.237 ( 7.595 -0.544 -4.349) 8.769 8.091 ( 1.973 0.613 0.186) 2.074 8.110 ( -1.168 5.523 -2.082) 6.016 8.339 ( -0.133 -0.711 -1.352) 1.533 8.561 ( 6.070 0.936 0.340) 6.151 12.786 ( -0.172 -0.295 -0.441) 0.557 12.855 ( -0.068 -0.307 0.050) 0.318 13.502 ( -0.471 0.175 1.134) 1.240 13.554 ( 0.268 0.075 0.391) 0.480 23.152 ( -1.436 -7.863 5.124) 9.494 23.303 ( -10.338 -1.344 -6.090) 12.073 24.192 ( -6.960 -2.281 5.762) 9.319 25.006 ( 1.546 3.896 3.484) 5.450 ======================= Grid point 145 (67/160) ======================= q-point: (-0.11 -0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.920 ( -6.047 -4.526 0.031) 7.553 1.160 ( -9.176 -10.159 -4.385) 14.374 1.392 ( -8.125 -7.659 -0.438) 11.174 1.777 ( -9.181 -0.836 11.186) 14.496 2.081 ( -19.490 -18.480 -4.818) 27.287 2.682 ( -1.813 1.377 -3.021) 3.782 2.743 ( 4.499 8.598 4.305) 10.616 3.007 ( 1.142 -5.284 -11.910) 13.079 3.239 ( -2.324 -6.277 -11.863) 13.622 3.388 ( 4.254 -1.788 1.804) 4.955 3.472 ( -3.603 3.366 2.991) 5.767 3.585 ( -5.392 4.681 2.041) 7.426 3.670 ( 3.728 1.426 4.228) 5.814 3.820 ( 9.656 2.104 6.145) 11.637 3.959 ( -4.499 -1.933 1.483) 5.116 4.038 ( -0.530 -4.705 2.699) 5.451 4.176 ( -1.385 -0.292 1.125) 1.808 4.295 ( -4.029 0.152 -3.298) 5.208 4.546 ( 0.555 -4.459 -0.897) 4.582 4.605 ( -2.950 0.465 3.599) 4.677 4.992 ( 4.220 -0.259 -6.298) 7.585 5.341 ( 10.180 0.033 -2.453) 10.471 5.637 ( -3.156 -1.303 -4.365) 5.542 5.899 ( 4.190 -1.544 1.833) 4.827 6.021 ( -5.262 4.059 3.611) 7.563 6.195 ( -0.823 0.534 -0.140) 0.991 6.409 ( 1.155 1.064 8.555) 8.697 6.481 ( 2.823 1.208 0.978) 3.222 7.146 ( 3.989 2.411 -5.308) 7.064 7.270 ( 4.961 1.663 -1.346) 5.402 8.003 ( -0.414 3.759 -1.465) 4.056 8.104 ( 2.296 0.770 0.839) 2.563 8.331 ( -0.401 0.863 -1.668) 1.920 8.565 ( 2.166 3.198 -0.547) 3.901 12.785 ( -0.128 0.015 -0.442) 0.461 12.858 ( -0.342 -0.245 -0.120) 0.438 13.497 ( -0.673 0.270 0.977) 1.217 13.555 ( 0.149 0.186 0.279) 0.367 23.214 ( -8.681 -2.780 -5.726) 10.764 23.379 ( 5.915 -12.368 5.101) 14.628 24.210 ( -5.959 -3.963 4.329) 8.364 24.907 ( -5.140 6.105 -0.579) 8.002 ======================= Grid point 153 (68/160) ======================= q-point: (-0.22 -0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.883 ( -17.802 -0.000 2.779) 18.018 0.978 ( -20.360 -0.000 -5.919) 21.203 1.298 ( -5.358 -0.000 3.399) 6.345 1.569 ( -35.547 -0.000 -13.196) 37.917 1.866 ( -2.395 -0.000 22.742) 22.868 2.693 ( 4.582 0.000 0.862) 4.662 2.891 ( 0.225 0.000 -12.069) 12.071 2.931 ( 7.143 0.000 5.076) 8.763 3.101 ( -6.818 -0.000 -15.647) 17.068 3.287 ( 5.968 0.000 5.005) 7.789 3.525 ( -3.576 -0.000 -1.242) 3.786 3.692 ( -6.802 -0.000 8.345) 10.766 3.817 ( 1.266 0.000 11.810) 11.877 3.839 ( -1.797 -0.000 -5.565) 5.848 3.943 ( 0.125 0.000 0.818) 0.828 4.073 ( 5.681 0.000 2.820) 6.343 4.231 ( -1.764 -0.000 -1.288) 2.184 4.291 ( -0.965 -0.000 -3.214) 3.355 4.337 ( 3.050 0.000 -6.853) 7.501 4.672 ( -2.274 -0.000 -0.511) 2.330 4.790 ( -4.756 -0.000 -1.378) 4.952 5.281 ( 9.903 0.000 -4.419) 10.845 5.650 ( -7.117 -0.000 -7.377) 10.250 5.863 ( 5.994 0.000 4.851) 7.711 6.150 ( -4.909 -0.000 5.248) 7.186 6.181 ( -0.061 -0.000 2.967) 2.968 6.420 ( 0.933 0.000 15.822) 15.850 6.487 ( 1.798 0.000 -1.705) 2.478 7.199 ( 4.470 0.000 -11.366) 12.213 7.314 ( 10.375 0.000 -0.669) 10.397 8.119 ( 2.601 0.000 0.273) 2.615 8.155 ( -0.706 -0.000 -2.320) 2.425 8.305 ( -1.404 -0.000 -1.913) 2.373 8.623 ( 5.685 0.000 -2.097) 6.059 12.781 ( 0.106 0.000 -0.405) 0.418 12.850 ( -0.258 -0.000 -0.264) 0.369 13.507 ( -0.264 -0.000 1.349) 1.374 13.558 ( 0.219 0.000 0.287) 0.361 23.064 ( -4.454 -0.000 4.788) 6.539 23.165 ( -9.858 -0.000 -5.155) 11.124 24.127 ( -7.565 -0.000 4.802) 8.960 25.090 ( 3.331 0.000 1.042) 3.490 ======================= Grid point 154 (69/160) ======================= q-point: (-0.11 -0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.725 ( -18.911 -4.299 1.452) 19.448 0.814 ( -19.280 -9.991 1.410) 21.760 1.287 ( -2.047 -1.275 2.584) 3.535 1.404 ( -30.318 -22.179 -5.138) 37.914 1.907 ( -2.741 7.563 21.923) 23.352 2.712 ( 2.187 2.908 0.667) 3.699 2.884 ( 3.126 -4.267 -12.008) 13.121 2.955 ( 3.870 7.042 3.405) 8.727 3.022 ( -2.952 -6.645 -14.171) 15.928 3.390 ( 3.973 -2.889 3.390) 5.968 3.448 ( -6.084 1.137 -2.929) 6.847 3.629 ( -7.322 3.219 8.057) 11.353 3.749 ( 0.444 3.476 -2.912) 4.556 3.888 ( -5.365 -2.883 4.452) 7.544 3.965 ( -0.260 -1.996 0.497) 2.073 4.036 ( 7.093 7.968 5.053) 11.804 4.173 ( -1.971 1.554 -0.834) 2.645 4.264 ( -0.935 0.651 -2.067) 2.361 4.442 ( 3.354 -7.888 1.052) 8.636 4.618 ( -3.967 1.687 1.525) 4.572 4.912 ( 3.522 -11.156 -9.522) 15.084 5.385 ( 10.406 -3.675 -5.187) 12.193 5.546 ( -5.559 -0.085 -7.082) 9.004 5.946 ( 5.281 -0.388 4.148) 6.727 6.071 ( -5.625 5.024 4.509) 8.787 6.186 ( -1.636 -0.049 -0.256) 1.656 6.480 ( 1.764 1.403 0.991) 2.462 6.556 ( 5.609 0.155 15.822) 16.788 7.158 ( 0.744 0.648 -8.897) 8.952 7.384 ( 8.833 3.022 1.276) 9.422 8.069 ( -0.279 5.004 -1.383) 5.199 8.145 ( 2.917 0.593 0.721) 3.063 8.312 ( -1.092 -1.606 -1.821) 2.662 8.622 ( 1.066 2.837 -3.664) 4.754 12.783 ( 0.259 -0.096 -0.392) 0.480 12.847 ( -0.386 -0.305 -0.546) 0.735 13.504 ( -0.551 0.681 1.258) 1.533 13.560 ( 0.117 0.117 0.156) 0.227 23.067 ( -7.133 -2.252 -4.152) 8.555 23.210 ( 3.405 -15.493 3.606) 16.267 24.105 ( -6.678 -3.099 3.440) 8.126 24.981 ( -6.400 10.986 -6.759) 14.399 ======================= Grid point 163 (70/160) ======================= q-point: (-0.11 -0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.489 ( -23.934 -0.000 1.954) 24.014 0.546 ( -24.005 -0.000 9.058) 25.657 0.836 ( -33.018 -0.000 18.556) 37.876 1.282 ( -1.821 -0.000 3.126) 3.618 2.208 ( 11.555 0.000 21.624) 24.517 2.789 ( 3.087 0.000 -12.892) 13.257 2.801 ( 1.243 0.000 -1.971) 2.330 2.881 ( 2.326 0.000 -5.778) 6.228 3.067 ( 3.042 0.000 2.627) 4.019 3.376 ( -8.099 -0.000 -7.585) 11.096 3.418 ( 2.935 0.000 4.230) 5.149 3.610 ( -10.406 -0.000 8.979) 13.744 3.759 ( -0.771 -0.000 -5.364) 5.419 3.821 ( -3.554 -0.000 -0.096) 3.556 3.954 ( 0.082 0.000 1.100) 1.103 4.185 ( 0.806 0.000 -2.747) 2.863 4.230 ( -0.266 -0.000 1.903) 1.922 4.307 ( -2.519 -0.000 -9.758) 10.078 4.328 ( 9.287 0.000 3.038) 9.771 4.594 ( -6.185 -0.000 -1.720) 6.420 4.629 ( -8.954 -0.000 -1.647) 9.105 5.403 ( 8.707 0.000 -8.477) 12.152 5.474 ( -3.114 -0.000 -4.388) 5.380 6.014 ( 4.720 0.000 3.927) 6.140 6.093 ( -5.167 -0.000 3.192) 6.073 6.163 ( -2.565 -0.000 -0.941) 2.732 6.498 ( 1.384 0.000 -2.138) 2.547 6.706 ( 1.567 0.000 -1.833) 2.412 7.193 ( 13.941 0.000 24.772) 28.425 7.507 ( 7.610 0.000 3.444) 8.353 8.122 ( -0.171 -0.000 -1.431) 1.441 8.182 ( 3.249 0.000 1.150) 3.447 8.253 ( -2.114 -0.000 -1.580) 2.640 8.627 ( -1.525 -0.000 -7.741) 7.890 12.783 ( 0.382 0.000 -0.248) 0.455 12.838 ( -0.255 -0.000 -0.705) 0.750 13.521 ( 0.345 0.000 1.150) 1.201 13.562 ( 0.035 0.000 -0.004) 0.036 22.978 ( -4.918 -0.000 -2.721) 5.621 23.016 ( -4.379 -0.000 2.711) 5.150 24.029 ( -5.966 -0.000 2.115) 6.330 24.958 ( -14.697 -0.000 -33.804) 36.861 ======================= Grid point 164 (71/160) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.836 ( 7.380 0.000 16.594) 18.161 1.005 ( 6.598 0.000 19.487) 20.574 1.355 ( -2.733 -0.000 8.593) 9.017 1.677 ( -25.678 -0.000 1.220) 25.707 1.909 ( 10.013 0.000 40.078) 41.310 2.340 ( -1.104 -0.000 -15.822) 15.860 2.492 ( 11.665 0.000 -16.698) 20.369 3.136 ( -4.988 -0.000 2.843) 5.742 3.176 ( 10.335 0.000 3.804) 11.013 3.515 ( -8.646 -0.000 -10.693) 13.752 3.546 ( 8.915 0.000 0.231) 8.918 3.550 ( -1.911 -0.000 3.169) 3.701 3.650 ( -10.613 -0.000 5.555) 11.979 3.773 ( 3.955 0.000 -2.390) 4.621 3.925 ( -1.057 -0.000 0.266) 1.090 4.216 ( -13.662 -0.000 -7.190) 15.439 4.236 ( -1.890 -0.000 8.237) 8.451 4.346 ( 3.853 0.000 3.068) 4.926 4.362 ( 10.469 0.000 0.235) 10.472 4.456 ( 4.687 0.000 -4.000) 6.162 4.520 ( -1.928 -0.000 -1.664) 2.547 5.005 ( 3.731 0.000 -19.779) 20.128 5.664 ( 8.065 0.000 7.172) 10.792 6.009 ( -8.126 -0.000 -2.489) 8.499 6.076 ( -1.997 -0.000 1.689) 2.615 6.130 ( -10.570 -0.000 -0.329) 10.576 6.174 ( 2.082 0.000 1.747) 2.718 6.426 ( 1.513 0.000 -4.483) 4.731 7.800 ( -1.097 -0.000 9.206) 9.271 8.128 ( -0.083 -0.000 -0.041) 0.093 8.177 ( -2.195 -0.000 -0.937) 2.387 8.207 ( 1.614 0.000 -2.985) 3.394 8.321 ( 3.941 0.000 3.396) 5.202 8.558 ( 8.877 0.000 -3.549) 9.560 12.791 ( 0.408 0.000 0.299) 0.506 12.827 ( -0.094 -0.000 -0.580) 0.588 13.506 ( -1.443 -0.000 0.562) 1.549 13.551 ( -0.121 -0.000 -0.620) 0.632 22.946 ( 5.111 0.000 0.160) 5.114 22.956 ( -5.061 -0.000 -0.158) 5.064 23.925 ( -1.451 -0.000 0.034) 1.451 23.947 ( -3.313 -0.000 -0.573) 3.363 ======================= Grid point 165 (72/160) ======================= q-point: ( 0.11 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( 1.342 -7.122 7.343) 10.317 1.236 ( 10.318 -5.596 6.538) 13.436 1.399 ( 2.612 -4.371 16.443) 17.213 1.599 ( -12.785 -9.608 8.864) 18.285 2.218 ( 4.926 -3.479 7.741) 9.813 2.342 ( 10.629 -4.280 14.950) 18.836 2.603 ( 13.847 -7.312 -17.146) 23.220 3.048 ( -6.668 4.676 1.746) 8.329 3.215 ( 6.494 6.184 0.723) 8.996 3.382 ( -11.246 -3.204 -11.996) 16.752 3.492 ( 1.235 4.996 3.114) 6.015 3.604 ( -7.280 -1.855 2.924) 8.061 3.690 ( 5.299 -5.057 4.080) 8.385 3.738 ( -0.329 3.426 -2.410) 4.202 3.946 ( 0.547 -0.809 1.390) 1.699 4.039 ( -8.572 1.728 -2.639) 9.134 4.244 ( -6.074 -0.989 6.994) 9.316 4.375 ( 0.877 0.362 5.035) 5.124 4.423 ( 6.252 0.608 -1.969) 6.583 4.491 ( 2.137 -0.700 -3.378) 4.058 4.714 ( 9.369 -12.616 -13.914) 20.989 4.971 ( 5.205 -3.197 -15.460) 16.623 5.760 ( 5.550 1.377 6.947) 8.998 5.920 ( -9.103 -1.700 -3.022) 9.741 6.050 ( 0.444 1.074 3.361) 3.556 6.096 ( -3.945 -1.370 0.030) 4.176 6.203 ( 0.644 -0.496 1.825) 1.997 6.423 ( 1.217 -0.520 -4.358) 4.554 7.748 ( -6.540 6.483 7.595) 11.936 8.002 ( -8.482 12.686 1.621) 15.346 8.122 ( 2.586 4.294 1.669) 5.283 8.141 ( -1.957 1.472 -1.231) 2.741 8.376 ( 1.876 -0.008 2.101) 2.817 8.531 ( 2.734 4.819 -5.332) 7.689 12.793 ( 0.057 0.286 0.188) 0.347 12.814 ( -0.219 0.513 -0.604) 0.822 13.497 ( -0.871 -0.018 1.046) 1.362 13.547 ( -0.155 -0.002 -0.569) 0.590 23.050 ( 6.695 -4.694 1.033) 8.241 23.080 ( -5.185 -15.811 -6.088) 17.718 23.965 ( 0.851 -4.339 0.380) 4.438 24.051 ( 11.899 -7.218 -2.450) 14.131 ======================= Grid point 166 (73/160) ======================= q-point: ( 0.22 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.144 ( -3.257 -2.903 2.197) 4.885 1.334 ( 1.997 -1.864 -0.943) 2.890 1.740 ( 5.368 -13.158 16.094) 21.469 1.800 ( 3.612 -10.196 17.644) 20.696 2.259 ( 2.234 -4.752 -13.148) 14.158 2.667 ( 8.185 -4.071 3.305) 9.721 2.762 ( 7.514 -3.998 -3.516) 9.209 2.900 ( -6.515 3.191 7.385) 10.352 3.179 ( 4.969 1.962 -2.286) 5.810 3.294 ( -9.107 -5.004 -11.113) 15.214 3.461 ( 1.257 2.585 6.819) 7.400 3.564 ( -3.086 1.915 -0.192) 3.637 3.645 ( -2.552 3.345 -2.053) 4.682 3.845 ( 6.642 -2.795 4.333) 8.408 3.931 ( -3.477 -0.603 1.456) 3.817 4.027 ( -0.048 -2.853 1.213) 3.100 4.222 ( -2.382 1.063 2.676) 3.737 4.421 ( -2.777 -3.181 6.407) 7.673 4.448 ( 4.427 1.057 -0.397) 4.568 4.546 ( 4.015 -3.028 -1.255) 5.183 4.788 ( 3.579 -2.585 -18.757) 19.270 5.071 ( 6.633 -4.573 -8.807) 11.936 5.757 ( -5.426 0.686 0.710) 5.515 5.908 ( 1.197 -1.363 1.836) 2.581 6.053 ( -1.272 0.287 0.297) 1.337 6.118 ( 2.777 -1.618 2.888) 4.321 6.214 ( -0.881 0.344 2.234) 2.426 6.418 ( 0.883 -0.064 -3.975) 4.073 7.550 ( -10.659 9.995 3.454) 15.015 7.706 ( -5.410 13.952 4.659) 15.673 8.071 ( -1.697 3.048 -0.456) 3.519 8.099 ( 1.000 2.445 1.086) 2.856 8.365 ( -2.028 1.550 -1.444) 2.933 8.463 ( 2.193 2.904 -2.280) 4.295 12.787 ( -0.035 0.247 -0.257) 0.358 12.809 ( 0.380 -0.187 -0.519) 0.670 13.499 ( -0.492 -0.227 1.165) 1.285 13.543 ( -0.155 -0.063 -0.412) 0.444 23.179 ( -4.577 -9.371 -5.319) 11.707 23.284 ( 6.998 -9.229 1.440) 11.671 24.081 ( 0.916 -7.307 1.080) 7.443 24.310 ( 13.549 -9.298 -4.521) 17.043 ======================= Grid point 167 (74/160) ======================= q-point: ( 0.33 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( -3.385 -1.434 0.559) 3.719 1.360 ( 1.069 0.433 0.287) 1.189 2.026 ( 3.172 -8.408 12.413) 15.324 2.105 ( 5.759 -6.991 17.138) 19.384 2.285 ( 2.289 -0.508 -10.159) 10.426 2.635 ( -7.038 -2.073 -10.674) 12.953 2.707 ( -0.865 2.203 -6.463) 6.883 2.962 ( -3.226 2.360 4.152) 5.763 3.181 ( 3.779 1.989 -3.456) 5.494 3.299 ( -5.527 -9.047 -9.181) 14.024 3.451 ( -1.450 2.572 6.156) 6.828 3.545 ( -2.951 0.543 0.521) 3.045 3.618 ( 5.198 -2.454 4.256) 7.152 3.924 ( 2.688 -0.223 0.057) 2.698 3.967 ( 7.138 0.786 6.358) 9.591 4.085 ( 0.310 -3.420 0.516) 3.472 4.215 ( 0.645 0.471 2.167) 2.310 4.451 ( 2.160 0.818 0.883) 2.473 4.499 ( -3.764 -3.714 4.780) 7.128 4.637 ( 5.980 -2.189 1.266) 6.493 4.773 ( 2.239 -3.434 -16.268) 16.777 5.097 ( 2.217 1.796 -4.198) 5.076 5.691 ( -6.568 -0.598 -1.892) 6.861 5.958 ( 2.384 -0.533 2.062) 3.197 6.040 ( 0.373 0.566 -0.527) 0.858 6.164 ( -0.537 1.616 3.417) 3.818 6.231 ( 2.176 -2.239 3.139) 4.427 6.401 ( 0.582 0.625 -3.524) 3.626 7.291 ( -9.403 8.664 -0.029) 12.786 7.496 ( -2.739 9.168 3.659) 10.245 7.999 ( -2.261 2.410 -1.163) 3.503 8.085 ( 1.548 1.617 1.997) 3.000 8.295 ( -3.256 1.302 -4.046) 5.354 8.446 ( 1.881 1.264 0.505) 2.321 12.784 ( 0.301 0.029 -0.332) 0.449 12.820 ( 0.480 -0.735 -0.446) 0.985 13.505 ( -0.430 -0.249 1.172) 1.273 13.542 ( -0.106 -0.169 -0.207) 0.288 23.233 ( -5.662 -6.559 -6.407) 10.777 23.513 ( 9.851 -5.635 5.283) 12.518 24.217 ( -0.272 -7.107 1.206) 7.214 24.544 ( 9.031 -7.593 -3.647) 12.350 ======================= Grid point 168 (75/160) ======================= q-point: ( 0.44 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( -1.734 0.826 0.423) 1.967 1.354 ( 0.767 0.890 -0.017) 1.175 2.101 ( -5.689 8.481 -2.167) 10.440 2.198 ( 3.446 0.308 10.796) 11.337 2.361 ( 1.414 -5.305 11.734) 12.955 2.551 ( -6.476 0.116 -12.714) 14.269 2.682 ( 1.620 1.428 -1.050) 2.401 2.882 ( -2.490 -2.531 -1.732) 3.950 3.111 ( -0.947 2.137 -9.863) 10.136 3.351 ( -5.878 -5.733 -8.967) 12.158 3.442 ( 0.026 -0.405 1.498) 1.552 3.521 ( -0.413 0.335 4.239) 4.273 3.736 ( 2.426 -2.062 4.612) 5.605 3.945 ( 2.826 1.463 0.889) 3.304 4.050 ( 6.645 0.739 3.222) 7.422 4.164 ( 1.187 -3.338 3.723) 5.139 4.211 ( 1.249 2.294 0.823) 2.738 4.436 ( -1.820 2.252 -2.355) 3.732 4.506 ( -0.018 2.084 4.775) 5.210 4.731 ( 3.939 -0.816 -0.608) 4.068 4.832 ( 4.538 -8.750 -7.990) 12.688 5.055 ( 0.450 2.281 -0.163) 2.330 5.642 ( -4.681 -1.317 -3.076) 5.754 5.983 ( 0.947 0.363 1.191) 1.564 6.016 ( 0.658 2.902 0.275) 2.988 6.146 ( -1.860 -0.369 2.255) 2.947 6.323 ( 2.750 -3.123 3.703) 5.570 6.379 ( 0.520 0.379 -2.999) 3.067 7.109 ( -4.524 4.246 -1.882) 6.484 7.373 ( -1.067 5.189 2.613) 5.907 7.944 ( -1.416 1.154 -1.099) 2.132 8.092 ( 1.570 0.591 1.836) 2.487 8.236 ( -2.630 -0.197 -3.787) 4.615 8.455 ( 1.011 -0.182 0.852) 1.335 12.786 ( 0.458 0.131 -0.197) 0.516 12.835 ( 0.185 -0.837 -0.429) 0.958 13.510 ( -0.518 -0.138 1.109) 1.231 13.545 ( -0.023 -0.269 -0.038) 0.272 23.233 ( -4.657 -2.775 -5.656) 7.835 23.692 ( 9.447 -0.944 5.944) 11.201 24.310 ( -2.619 -4.695 0.681) 5.419 24.691 ( 3.598 -4.314 -2.652) 6.212 ======================= Grid point 169 (76/160) ======================= q-point: (-0.44 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( 0.648 2.731 1.271) 3.081 1.355 ( 0.602 -0.060 0.515) 0.795 1.855 ( -6.610 13.100 3.238) 15.026 2.135 ( -6.037 10.572 4.784) 13.080 2.446 ( -0.711 3.602 3.801) 5.285 2.474 ( -3.982 -4.816 3.977) 7.407 2.674 ( 3.671 -0.035 -1.204) 3.863 2.948 ( 0.107 -2.110 -9.544) 9.775 3.046 ( 1.285 -1.831 -5.146) 5.611 3.297 ( -8.324 -2.788 -7.229) 11.372 3.466 ( 1.204 0.151 -0.401) 1.278 3.561 ( 2.576 -1.533 4.089) 5.070 3.787 ( 0.917 0.624 5.685) 5.792 3.912 ( -1.608 2.291 -2.154) 3.532 4.099 ( 5.324 1.213 0.826) 5.523 4.147 ( -2.986 2.283 -0.834) 3.850 4.250 ( 1.458 -0.635 3.416) 3.768 4.346 ( 1.885 5.508 1.435) 5.996 4.505 ( -0.188 0.984 3.149) 3.304 4.743 ( 0.289 -0.131 -4.213) 4.225 4.955 ( -0.852 -1.926 -1.100) 2.376 5.090 ( 6.922 -4.814 -0.890) 8.479 5.597 ( -3.963 0.151 -5.434) 6.727 5.976 ( 1.895 1.789 2.168) 3.391 5.992 ( -0.883 0.195 1.153) 1.466 6.157 ( -1.419 -1.383 1.184) 2.309 6.375 ( 1.070 -0.866 -2.541) 2.890 6.424 ( 1.339 -4.462 2.996) 5.539 7.045 ( 0.607 -0.001 -1.895) 1.989 7.327 ( 1.220 1.970 3.248) 3.990 7.927 ( 0.344 -0.423 -0.609) 0.817 8.110 ( 1.684 0.028 1.266) 2.107 8.216 ( -2.133 -2.000 -3.041) 4.219 8.476 ( 0.023 -1.279 0.154) 1.288 12.784 ( 0.336 0.426 -0.168) 0.568 12.844 ( -0.224 -0.496 -0.590) 0.802 13.511 ( -0.638 -0.030 1.008) 1.193 13.550 ( 0.032 -0.287 -0.002) 0.289 23.185 ( -3.520 0.718 -4.255) 5.569 23.775 ( 8.593 4.553 4.720) 10.809 24.328 ( -4.990 -1.493 0.052) 5.209 24.724 ( -2.618 -0.655 -3.326) 4.283 ======================= Grid point 170 (77/160) ======================= q-point: (-0.33 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( 3.091 5.233 2.523) 6.580 1.359 ( -2.069 0.902 4.996) 5.482 1.580 ( -5.294 15.834 10.365) 19.651 1.890 ( -7.184 10.728 0.926) 12.945 2.337 ( -8.633 9.985 14.070) 19.292 2.538 ( -0.643 -4.091 -1.794) 4.513 2.755 ( 4.619 -3.460 -0.674) 5.810 2.839 ( -1.702 3.000 -6.279) 7.164 3.059 ( 3.541 4.414 -9.526) 11.080 3.264 ( -4.734 -5.504 -4.874) 8.744 3.487 ( 2.030 -1.596 1.578) 3.026 3.616 ( 2.728 1.003 1.605) 3.320 3.790 ( -1.751 0.681 4.587) 4.957 3.891 ( -2.740 -3.503 0.702) 4.503 4.059 ( -1.975 4.356 -1.015) 4.890 4.129 ( 5.116 2.575 1.262) 5.865 4.219 ( -0.642 3.657 0.009) 3.713 4.341 ( 2.333 1.765 5.596) 6.315 4.498 ( -1.706 -0.761 -0.022) 1.868 4.696 ( -2.799 1.975 -3.651) 5.007 4.935 ( -0.307 1.449 -1.793) 2.326 5.237 ( 5.975 -4.635 -5.591) 9.404 5.496 ( -3.375 3.403 -5.543) 7.328 5.984 ( -2.068 -0.992 1.503) 2.742 6.017 ( 3.741 -0.811 2.524) 4.585 6.168 ( -1.905 -0.909 1.040) 2.353 6.398 ( 1.571 -1.509 -2.585) 3.380 6.519 ( -1.040 -5.088 -0.407) 5.209 7.101 ( 4.546 -3.947 2.079) 6.369 7.373 ( 5.016 -1.859 5.519) 7.687 7.959 ( 2.434 -1.860 0.062) 3.064 8.138 ( 2.188 -0.663 1.050) 2.515 8.223 ( -2.343 -2.809 -2.778) 4.594 8.495 ( -1.168 -1.701 -0.920) 2.259 12.779 ( 0.281 0.371 -0.233) 0.520 12.840 ( -0.505 0.089 -0.905) 1.041 13.510 ( -0.737 -0.064 0.912) 1.175 13.554 ( 0.026 -0.220 -0.128) 0.256 23.105 ( -2.223 3.350 -2.618) 4.798 23.747 ( 8.454 10.418 1.835) 13.542 24.268 ( -6.920 1.625 -0.570) 7.131 24.631 ( -9.704 1.795 -6.169) 11.638 ======================= Grid point 171 (78/160) ======================= q-point: (-0.22 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.981 ( 5.122 12.493 7.277) 15.338 1.316 ( -5.008 12.589 19.172) 23.477 1.341 ( -7.648 5.742 3.216) 10.090 1.693 ( -2.009 8.257 9.785) 12.960 2.136 ( -14.660 7.430 16.254) 23.115 2.526 ( -1.673 0.971 -9.993) 10.178 2.734 ( 3.837 4.373 -11.348) 12.752 2.924 ( 6.851 2.966 -3.336) 8.177 2.944 ( -0.136 -6.087 3.643) 7.095 3.325 ( -0.688 -5.628 -1.468) 5.857 3.553 ( 3.019 -0.333 3.383) 4.546 3.608 ( 2.315 1.118 -1.657) 3.059 3.786 ( -6.542 -0.667 6.594) 9.312 3.884 ( -4.809 2.855 -5.030) 7.522 3.988 ( -1.122 0.934 3.272) 3.583 4.129 ( 2.678 2.222 -0.992) 3.618 4.181 ( 2.307 0.926 4.255) 4.928 4.346 ( 0.337 2.038 4.829) 5.252 4.498 ( -2.171 -1.450 -3.667) 4.501 4.598 ( -4.462 2.789 -3.093) 6.104 4.873 ( 1.036 5.419 -5.234) 7.605 5.217 ( 0.628 3.419 -17.654) 17.993 5.465 ( 4.770 -0.136 3.845) 6.128 6.000 ( -2.270 -2.543 1.777) 3.845 6.081 ( 2.535 -1.496 0.638) 3.012 6.157 ( -2.795 0.397 1.905) 3.406 6.414 ( 0.184 -0.636 -3.933) 3.989 6.525 ( -6.034 -0.703 -6.947) 9.228 7.324 ( 10.068 -11.635 10.850) 18.827 7.542 ( 8.643 -6.034 8.252) 13.387 8.029 ( 3.735 -2.455 0.434) 4.490 8.184 ( 1.968 -1.534 1.067) 2.714 8.233 ( -1.414 -2.054 -2.128) 3.278 8.500 ( -2.150 -1.446 -1.502) 2.994 12.778 ( 0.452 -0.053 -0.171) 0.486 12.826 ( -0.425 0.322 -1.022) 1.153 13.509 ( -0.861 -0.316 0.795) 1.214 13.556 ( -0.019 -0.124 -0.342) 0.364 23.013 ( -0.531 4.486 -1.248) 4.687 23.596 ( 8.585 17.152 -3.595) 19.515 24.143 ( -8.604 3.448 -1.240) 9.352 24.417 ( -17.289 3.821 -9.556) 20.121 ======================= Grid point 172 (79/160) ======================= q-point: (-0.11 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.865 ( 7.578 14.596 14.995) 22.256 1.012 ( -7.054 15.292 15.932) 23.182 1.322 ( -4.324 -1.783 7.916) 9.194 1.700 ( 3.594 5.890 34.688) 35.368 1.955 ( -22.118 1.164 0.987) 22.171 2.435 ( -1.760 0.000 -14.406) 14.513 2.563 ( 6.237 8.398 -16.023) 19.135 3.022 ( 9.996 -3.090 2.974) 10.877 3.094 ( -2.062 -6.869 4.686) 8.567 3.416 ( 3.599 -4.029 1.151) 5.523 3.558 ( 3.705 3.726 3.005) 6.053 3.643 ( -0.330 -2.376 -3.506) 4.248 3.712 ( -8.667 2.289 -0.060) 8.964 3.764 ( -4.850 2.084 3.670) 6.429 3.961 ( -2.744 1.091 0.016) 2.953 4.133 ( 3.000 -1.153 1.270) 3.456 4.263 ( 4.053 -2.389 3.753) 6.018 4.333 ( -2.622 1.117 4.673) 5.473 4.417 ( -6.356 2.904 -5.734) 9.040 4.526 ( -0.804 1.343 -3.975) 4.272 4.675 ( 1.252 15.133 -6.118) 16.371 5.083 ( 2.764 1.871 -19.402) 19.687 5.555 ( 7.442 -0.109 5.858) 9.472 6.041 ( -2.648 -3.627 1.698) 4.801 6.089 ( -4.169 -0.286 -2.274) 4.758 6.147 ( 1.168 0.612 3.622) 3.854 6.312 ( -12.673 3.128 -7.016) 14.820 6.443 ( 0.718 1.024 -4.322) 4.500 7.674 ( 5.109 -7.952 9.297) 13.258 7.886 ( 16.453 -17.391 8.603) 25.439 8.102 ( 3.064 -1.732 0.217) 3.527 8.205 ( -2.839 -1.311 -1.483) 3.461 8.274 ( 5.756 -0.242 1.798) 6.036 8.495 ( -0.629 -1.071 -0.689) 1.420 12.785 ( 0.532 -0.102 0.052) 0.544 12.820 ( 0.141 -0.491 -0.569) 0.764 13.511 ( -1.163 -0.549 0.500) 1.380 13.555 ( -0.075 -0.042 -0.536) 0.543 22.945 ( 1.877 3.404 -0.460) 3.914 23.263 ( 0.511 23.514 -7.900) 24.811 24.001 ( -9.457 1.499 -1.423) 9.680 24.112 ( -15.980 6.317 -4.962) 17.885 ======================= Grid point 174 (80/160) ======================= q-point: ( 0.11 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( 5.089 0.000 6.692) 8.407 1.253 ( -0.734 -0.000 -5.274) 5.325 1.474 ( 3.235 0.000 21.909) 22.147 1.525 ( 7.839 0.000 17.337) 19.027 2.187 ( 3.839 0.000 -15.253) 15.729 2.593 ( 15.163 0.000 -18.426) 23.863 2.595 ( 15.076 0.000 35.758) 38.806 3.005 ( -11.213 -0.000 -0.337) 11.218 3.159 ( -11.472 -0.000 -13.981) 18.085 3.355 ( 4.795 0.000 0.041) 4.795 3.509 ( -6.871 -0.000 2.514) 7.316 3.565 ( -0.931 -0.000 2.074) 2.274 3.722 ( 6.798 0.000 6.685) 9.534 3.741 ( -0.184 -0.000 -4.756) 4.759 3.944 ( -8.659 -0.000 -2.881) 9.126 3.985 ( 3.510 0.000 1.506) 3.819 4.221 ( -4.132 -0.000 8.254) 9.230 4.435 ( 1.439 0.000 -1.763) 2.275 4.479 ( 4.812 0.000 -5.763) 7.508 4.504 ( 4.049 0.000 -1.563) 4.340 4.613 ( 11.670 0.000 -4.434) 12.484 4.918 ( 5.822 0.000 -13.772) 14.952 5.781 ( -10.930 -0.000 -3.765) 11.560 5.873 ( 5.917 0.000 6.830) 9.036 6.066 ( -0.124 -0.000 2.634) 2.637 6.097 ( 1.350 0.000 4.051) 4.271 6.209 ( 0.093 0.000 1.187) 1.191 6.408 ( 1.461 0.000 -4.537) 4.767 7.751 ( -11.986 -0.000 6.607) 13.686 7.969 ( -14.094 -0.000 0.399) 14.100 8.134 ( -1.641 -0.000 -0.844) 1.846 8.212 ( 1.258 0.000 0.735) 1.457 8.411 ( 1.695 0.000 3.136) 3.564 8.533 ( -3.446 -0.000 -9.096) 9.727 12.797 ( -0.124 -0.000 0.342) 0.364 12.810 ( -0.647 -0.000 -0.786) 1.018 13.495 ( -0.609 -0.000 1.181) 1.328 13.542 ( -0.172 -0.000 -0.530) 0.557 22.890 ( -0.950 -0.000 -1.025) 1.398 23.113 ( 11.152 0.000 1.150) 11.211 23.943 ( 2.944 0.000 0.948) 3.093 24.121 ( 17.366 0.000 -4.634) 17.973 ======================= Grid point 175 (81/160) ======================= q-point: ( 0.22 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( 0.123 1.433 1.503) 2.081 1.272 ( -0.220 -5.521 -0.364) 5.538 1.713 ( 8.051 -6.168 18.762) 21.328 1.784 ( 10.874 -8.880 16.952) 22.010 2.173 ( 5.620 -2.483 -14.961) 16.173 2.629 ( 4.497 -1.284 -21.921) 22.414 2.830 ( -6.133 3.637 4.789) 8.590 2.931 ( 5.164 -1.991 22.429) 23.102 3.045 ( -3.734 -3.648 -11.463) 12.595 3.309 ( 1.214 5.216 -0.934) 5.436 3.508 ( -3.610 -1.969 1.816) 4.495 3.553 ( 0.323 0.882 2.976) 3.121 3.680 ( -0.585 4.416 -6.018) 7.487 3.830 ( 0.826 -2.748 2.964) 4.126 3.915 ( -1.103 -3.899 4.105) 5.768 4.026 ( 3.678 -0.455 2.929) 4.724 4.253 ( 2.675 0.376 5.999) 6.579 4.392 ( -0.061 0.472 -2.428) 2.474 4.497 ( 3.723 1.070 -2.232) 4.470 4.553 ( 4.645 -1.798 -1.151) 5.112 4.711 ( 5.550 -1.447 -9.996) 11.524 4.982 ( 6.260 -6.319 -8.165) 12.074 5.664 ( -9.731 -0.652 -4.243) 10.636 5.952 ( 3.972 0.092 5.060) 6.434 6.069 ( 0.998 1.687 1.922) 2.746 6.156 ( 3.654 -1.336 5.696) 6.898 6.215 ( -1.092 -0.229 1.701) 2.034 6.403 ( 1.311 -0.212 -4.192) 4.397 7.591 ( -14.606 6.436 3.573) 16.356 7.786 ( -14.093 5.124 1.198) 15.043 8.094 ( -1.918 2.119 -1.068) 3.051 8.189 ( 1.795 3.799 1.782) 4.564 8.369 ( -3.354 3.668 -3.364) 6.002 8.477 ( -1.042 -0.644 -2.466) 2.753 12.790 ( -0.071 0.410 -0.375) 0.560 12.806 ( -0.022 -0.291 -0.351) 0.456 13.498 ( -0.364 -0.126 1.248) 1.307 13.538 ( -0.162 -0.045 -0.385) 0.420 22.956 ( -0.813 -7.398 -2.662) 7.904 23.282 ( 12.294 -5.465 2.161) 13.626 24.021 ( 4.346 -3.304 2.551) 6.026 24.303 ( 15.554 -5.011 -5.521) 17.249 ======================= Grid point 176 (82/160) ======================= q-point: ( 0.33 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.106 ( -1.269 -0.415 -1.084) 1.720 1.360 ( -0.044 -2.126 3.479) 4.077 1.990 ( 6.585 -8.021 15.804) 18.907 2.112 ( 6.950 -9.009 9.438) 14.783 2.252 ( 9.985 -4.898 -6.366) 12.815 2.487 ( -7.449 1.297 -18.005) 19.528 2.676 ( -8.389 2.556 -5.043) 10.117 3.052 ( -0.884 3.498 8.580) 9.308 3.083 ( 1.990 -2.965 -5.432) 6.501 3.252 ( 3.714 2.020 -2.897) 5.125 3.488 ( -5.361 1.297 -1.355) 5.679 3.539 ( -0.807 3.473 1.150) 3.747 3.628 ( 1.757 -2.924 4.416) 5.581 3.894 ( 1.609 -3.833 -0.742) 4.222 3.990 ( -1.823 -3.508 3.466) 5.258 4.117 ( 5.089 -1.003 4.422) 6.816 4.287 ( 6.644 2.455 -0.068) 7.084 4.447 ( 2.200 -3.694 7.405) 8.563 4.502 ( 3.630 1.105 0.085) 3.796 4.623 ( 3.093 -3.326 -6.486) 7.918 4.712 ( 4.376 0.244 -5.050) 6.687 5.071 ( 0.911 -2.944 -5.660) 6.444 5.582 ( -7.701 -2.051 -4.540) 9.171 5.995 ( 2.444 0.576 2.604) 3.617 6.062 ( 1.992 1.291 1.026) 2.586 6.202 ( -2.554 1.025 2.567) 3.763 6.250 ( 3.888 -1.211 6.609) 7.763 6.393 ( 0.744 0.215 -3.871) 3.948 7.335 ( -12.339 8.174 0.233) 14.803 7.578 ( -10.085 5.682 0.719) 11.598 8.023 ( -1.690 3.204 -1.240) 3.829 8.156 ( 1.702 3.272 2.534) 4.475 8.264 ( -3.923 1.771 -4.711) 6.382 8.467 ( -0.568 0.316 -0.055) 0.653 12.787 ( 0.620 -0.017 -0.691) 0.928 12.813 ( 0.337 -0.448 -0.129) 0.575 13.504 ( -0.320 -0.177 1.254) 1.306 13.537 ( -0.105 -0.146 -0.199) 0.268 23.056 ( -0.882 -6.783 -3.575) 7.718 23.526 ( 11.187 -7.555 3.501) 13.946 24.138 ( 3.067 -4.148 2.888) 5.912 24.503 ( 10.708 -6.016 -3.848) 12.871 ======================= Grid point 177 (83/160) ======================= q-point: ( 0.44 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( -0.346 -1.571 -0.971) 1.879 1.363 ( -2.277 1.061 1.505) 2.929 2.170 ( -4.039 6.275 -1.346) 7.583 2.241 ( 4.712 -6.049 12.162) 14.378 2.398 ( 1.588 -1.109 -2.421) 3.101 2.438 ( 7.921 -6.167 -4.960) 11.198 2.632 ( -1.538 -6.911 0.935) 7.142 2.916 ( -4.487 9.765 1.705) 10.881 3.052 ( -2.713 1.519 -7.349) 7.980 3.260 ( 3.458 0.976 -8.642) 9.359 3.401 ( -4.475 -1.613 -1.920) 5.130 3.517 ( -2.681 -0.456 3.080) 4.109 3.735 ( 1.268 -3.356 5.967) 6.963 3.973 ( 2.628 -2.517 -0.467) 3.669 4.049 ( 0.752 -2.287 2.142) 3.223 4.151 ( -0.925 0.265 0.479) 1.075 4.307 ( 3.884 1.126 -0.345) 4.058 4.476 ( 2.682 3.291 0.774) 4.315 4.599 ( 5.764 1.370 5.473) 8.065 4.671 ( 3.989 -5.358 -9.155) 11.333 4.769 ( 4.208 -2.706 2.902) 5.784 5.058 ( -2.546 -0.125 -1.607) 3.014 5.539 ( -5.469 -2.751 -4.237) 7.445 6.010 ( 1.545 0.859 1.178) 2.124 6.067 ( 2.027 1.287 -0.535) 2.460 6.158 ( -3.055 2.233 3.858) 5.404 6.328 ( 1.730 -1.255 5.441) 5.846 6.373 ( 0.418 0.441 -3.445) 3.499 7.126 ( -6.260 4.838 -1.845) 8.124 7.425 ( -5.812 3.438 0.291) 6.759 7.956 ( -0.851 2.293 -1.012) 2.647 8.138 ( 1.419 1.983 2.335) 3.376 8.191 ( -3.011 0.433 -3.726) 4.810 8.458 ( -0.781 0.020 0.530) 0.944 12.794 ( 1.125 -0.064 -0.584) 1.269 12.824 ( 0.237 -0.500 -0.054) 0.556 13.509 ( -0.405 -0.094 1.200) 1.270 13.540 ( -0.020 -0.264 -0.029) 0.266 23.125 ( -0.441 -4.103 -3.120) 5.174 23.754 ( 9.056 -5.474 3.173) 11.047 24.230 ( 0.282 -3.051 2.137) 3.735 24.654 ( 5.392 -3.906 -1.852) 6.911 ======================= Grid point 178 (84/160) ======================= q-point: (-0.44 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( 0.965 -0.513 0.266) 1.125 1.333 ( -2.573 -0.756 -0.725) 2.778 2.000 ( -3.152 8.042 2.648) 9.035 2.315 ( -1.075 10.477 0.807) 10.563 2.398 ( -1.267 -3.889 7.207) 8.286 2.554 ( 7.274 1.165 1.773) 7.577 2.749 ( 3.462 3.971 4.262) 6.776 2.834 ( 0.735 -7.819 -2.385) 8.208 2.961 ( -1.294 -1.370 -9.713) 9.894 3.189 ( -4.040 1.400 -5.221) 6.748 3.427 ( -1.660 -3.349 -2.409) 4.447 3.539 ( -1.331 -3.767 2.259) 4.589 3.813 ( 0.645 -1.826 4.787) 5.164 3.956 ( -2.626 5.245 -0.850) 5.927 4.101 ( 1.238 -2.445 -0.297) 2.757 4.140 ( 0.219 0.436 0.758) 0.901 4.312 ( 1.468 1.047 -0.871) 2.003 4.449 ( 3.250 3.561 0.645) 4.864 4.604 ( 2.940 4.364 3.454) 6.294 4.693 ( 1.343 -0.162 -9.583) 9.678 4.886 ( -0.166 -4.270 1.633) 4.575 5.072 ( 1.132 -3.385 1.100) 3.735 5.522 ( -3.225 -1.894 -3.058) 4.831 6.014 ( 1.145 0.473 0.753) 1.450 6.037 ( 0.982 3.241 0.134) 3.389 6.136 ( -1.648 -0.231 2.937) 3.375 6.360 ( 0.839 -0.301 -2.858) 2.994 6.382 ( -0.880 -2.194 3.038) 3.849 7.042 ( -0.165 0.485 -1.902) 1.969 7.357 ( -2.231 0.505 1.192) 2.580 7.928 ( 0.614 0.337 -0.401) 0.807 8.136 ( 0.716 0.633 0.592) 1.124 8.156 ( -1.687 -0.635 -1.431) 2.301 8.457 ( -1.133 -0.555 0.288) 1.294 12.799 ( 0.991 0.512 -0.256) 1.145 12.832 ( -0.027 -0.413 -0.342) 0.537 13.511 ( -0.526 0.053 1.111) 1.230 13.545 ( 0.027 -0.306 0.035) 0.309 23.154 ( 0.337 -0.845 -1.791) 2.009 23.901 ( 7.053 -1.487 0.690) 7.241 24.261 ( -2.515 -0.789 1.372) 2.972 24.703 ( 0.016 0.563 -1.119) 1.253 ======================= Grid point 179 (85/160) ======================= q-point: (-0.33 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( 3.352 0.281 1.829) 3.829 1.330 ( -3.355 -1.803 0.442) 3.834 1.866 ( 0.964 11.523 9.620) 15.042 2.056 ( -4.732 14.665 2.958) 15.691 2.442 ( -3.890 -1.050 3.656) 5.441 2.582 ( 5.388 6.720 9.887) 13.113 2.758 ( 4.390 0.433 1.603) 4.694 2.834 ( 1.108 1.934 -10.640) 10.871 3.048 ( 0.582 -5.271 -6.512) 8.398 3.138 ( -0.434 -2.661 -0.284) 2.711 3.443 ( -3.275 -3.243 -0.123) 4.611 3.627 ( 0.945 -4.645 -0.157) 4.743 3.807 ( -4.185 5.697 -0.465) 7.084 3.862 ( 0.285 -0.914 4.093) 4.204 4.119 ( 0.228 3.504 2.906) 4.558 4.146 ( 0.726 -1.753 -1.909) 2.692 4.289 ( 0.337 2.484 -0.123) 2.510 4.415 ( 0.535 2.628 -0.336) 2.702 4.533 ( -1.056 5.824 0.879) 5.984 4.666 ( 1.466 0.044 -6.456) 6.621 4.919 ( -1.601 -1.557 -0.849) 2.389 5.149 ( -0.447 -4.793 -6.282) 7.914 5.510 ( 1.105 0.845 1.267) 1.882 6.001 ( 0.897 2.167 1.088) 2.586 6.032 ( 1.154 -1.073 -0.237) 1.593 6.148 ( -1.016 -0.693 2.639) 2.912 6.374 ( 1.251 -1.345 -2.415) 3.034 6.415 ( -3.527 -3.549 -1.081) 5.119 7.084 ( 3.972 -3.578 1.212) 5.482 7.380 ( 0.281 -3.124 2.904) 4.275 7.953 ( 2.156 -1.646 0.067) 2.713 8.131 ( -1.812 -1.257 -1.637) 2.747 8.170 ( 1.608 -0.810 1.181) 2.153 8.456 ( -1.719 -0.940 -0.437) 2.008 12.793 ( 0.498 0.845 -0.072) 0.983 12.833 ( -0.149 -0.025 -0.783) 0.798 13.509 ( -0.624 0.150 1.033) 1.216 13.550 ( 0.000 -0.238 -0.059) 0.245 23.145 ( 1.480 2.330 -0.050) 2.761 23.940 ( 5.192 2.848 -4.370) 7.359 24.223 ( -4.345 2.175 1.313) 5.033 24.619 ( -4.587 5.975 -1.393) 7.661 ======================= Grid point 180 (86/160) ======================= q-point: (-0.22 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.196 ( 6.370 2.331 2.153) 7.117 1.319 ( -5.487 0.281 4.281) 6.965 1.665 ( -2.486 17.978 14.559) 23.267 1.851 ( -0.092 8.729 5.289) 10.207 2.376 ( -0.877 11.963 14.096) 18.509 2.521 ( -0.764 6.989 2.169) 7.358 2.757 ( 3.393 0.416 -9.844) 10.421 2.843 ( 1.245 -5.007 2.795) 5.868 3.044 ( 4.682 2.608 -8.187) 9.785 3.226 ( 2.976 -4.518 0.585) 5.442 3.496 ( -2.139 -5.706 0.747) 6.140 3.685 ( 0.967 -0.864 0.499) 1.389 3.720 ( -4.344 0.559 2.232) 4.916 3.863 ( -2.578 2.274 -1.209) 3.644 4.059 ( -0.101 4.747 3.138) 5.692 4.143 ( -2.650 0.322 -1.683) 3.156 4.251 ( 0.764 2.229 3.370) 4.112 4.370 ( -4.321 -0.420 -2.839) 5.187 4.443 ( -1.570 2.420 -0.266) 2.897 4.630 ( 2.245 4.177 -2.841) 5.528 4.912 ( 2.201 0.755 -6.037) 6.470 5.141 ( -2.022 -1.828 -12.901) 13.186 5.551 ( 6.015 0.606 6.196) 8.657 5.991 ( 0.779 0.783 1.749) 2.069 6.054 ( -0.969 -1.605 -2.451) 3.086 6.163 ( -0.308 -0.122 3.372) 3.389 6.363 ( -5.557 -0.217 -4.642) 7.244 6.431 ( -0.540 -2.545 -4.127) 4.879 7.261 ( 6.439 -9.540 6.971) 13.457 7.498 ( 0.635 -7.936 4.667) 9.228 8.014 ( 2.036 -2.817 -0.179) 3.480 8.131 ( -2.436 -2.110 -1.614) 3.604 8.225 ( 4.301 -1.599 1.956) 4.988 8.452 ( -2.006 -1.239 -1.068) 2.588 12.784 ( 0.321 0.422 -0.013) 0.530 12.823 ( -0.172 0.364 -1.054) 1.128 13.505 ( -0.712 0.134 0.987) 1.224 13.552 ( -0.063 -0.125 -0.259) 0.294 23.108 ( 3.076 4.809 1.527) 5.909 23.843 ( 0.133 7.671 -12.796) 14.920 24.128 ( -2.893 5.596 2.698) 6.853 24.417 ( -5.973 10.319 -1.516) 12.018 ======================= Grid point 181 (87/160) ======================= q-point: (-0.11 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( 0.724 5.133 -0.964) 5.273 1.223 ( 1.206 8.110 9.163) 12.296 1.445 ( 1.816 14.488 17.227) 22.583 1.776 ( -7.076 2.912 8.219) 11.229 2.216 ( 4.537 18.810 31.422) 36.901 2.390 ( -0.191 3.212 -12.384) 12.795 2.716 ( 9.316 7.151 -15.671) 19.584 2.962 ( -2.845 -7.988 4.111) 9.424 3.062 ( 7.887 -1.807 -0.466) 8.105 3.351 ( 2.702 -6.145 1.364) 6.850 3.564 ( -3.696 -2.637 -2.999) 5.442 3.660 ( -4.755 2.233 0.126) 5.255 3.692 ( -1.198 1.524 4.351) 4.763 3.749 ( -3.141 2.567 -2.058) 4.549 3.991 ( -1.462 3.787 1.643) 4.380 4.089 ( -5.960 -0.898 -2.067) 6.372 4.281 ( -1.903 -1.816 2.870) 3.893 4.325 ( 0.175 1.523 2.783) 3.178 4.417 ( -0.309 0.397 0.126) 0.519 4.543 ( 0.198 4.994 -2.362) 5.528 4.863 ( 6.707 4.996 -13.747) 16.091 5.065 ( 3.155 3.099 -14.505) 15.164 5.648 ( 6.596 -0.627 7.286) 9.848 6.008 ( -0.442 -0.913 2.564) 2.758 6.027 ( -3.961 0.205 -3.322) 5.173 6.175 ( -0.751 0.628 1.597) 1.874 6.235 ( -8.126 2.502 -4.139) 9.456 6.438 ( 1.000 -0.192 -3.948) 4.077 7.570 ( 3.294 -12.925 8.707) 15.929 7.710 ( -0.327 -15.343 6.331) 16.601 8.071 ( -0.063 -2.770 -0.196) 2.778 8.138 ( -2.275 -2.132 -1.510) 3.464 8.319 ( 5.651 -1.815 2.118) 6.301 8.459 ( -0.097 -2.378 -1.672) 2.909 12.786 ( 0.283 -0.191 0.097) 0.355 12.812 ( 0.008 0.038 -0.890) 0.891 13.501 ( -0.829 0.037 0.982) 1.285 13.550 ( -0.121 -0.037 -0.463) 0.480 23.065 ( 5.369 5.777 2.284) 8.211 23.526 ( -8.872 15.899 -16.557) 24.609 24.030 ( 2.645 6.867 2.650) 7.821 24.181 ( -1.250 11.225 -1.715) 11.424 ======================= Grid point 184 (88/160) ======================= q-point: ( 0.22 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( 0.673 0.000 -5.740) 5.779 1.220 ( 2.299 0.000 7.726) 8.061 1.862 ( 10.929 0.000 18.977) 21.899 1.891 ( 10.428 0.000 16.251) 19.309 2.123 ( 5.818 0.000 -15.818) 16.854 2.511 ( -3.871 -0.000 -22.629) 22.957 2.748 ( -13.527 -0.000 -1.192) 13.580 2.986 ( 7.331 0.000 -8.449) 11.187 3.143 ( 8.241 0.000 24.854) 26.184 3.348 ( -2.636 -0.000 -0.750) 2.740 3.466 ( 0.287 0.000 1.561) 1.587 3.564 ( -0.156 -0.000 0.057) 0.166 3.706 ( 2.661 0.000 -8.520) 8.926 3.813 ( -4.117 -0.000 -0.551) 4.154 3.856 ( -2.096 -0.000 5.175) 5.584 4.073 ( 4.546 0.000 2.996) 5.444 4.352 ( 0.704 0.000 -12.725) 12.745 4.358 ( 8.660 0.000 10.939) 13.952 4.544 ( 3.349 0.000 -0.412) 3.375 4.574 ( 4.980 0.000 -1.492) 5.199 4.737 ( 4.750 0.000 -1.513) 4.985 4.946 ( 6.268 0.000 -6.022) 8.692 5.536 ( -9.605 -0.000 -5.718) 11.179 6.010 ( 2.541 0.000 4.076) 4.803 6.127 ( 2.923 0.000 3.007) 4.194 6.199 ( 2.937 0.000 6.618) 7.241 6.204 ( -1.760 -0.000 1.157) 2.106 6.399 ( 1.880 0.000 -3.402) 3.887 7.512 ( -16.348 -0.000 1.996) 16.469 7.675 ( -16.341 -0.000 -0.191) 16.342 8.090 ( -1.927 -0.000 -0.856) 2.108 8.225 ( -1.041 -0.000 -0.353) 1.100 8.356 ( -4.116 -0.000 -6.646) 7.817 8.445 ( -0.643 -0.000 1.919) 2.024 12.796 ( 0.194 0.000 -0.984) 1.003 12.796 ( -0.183 -0.000 0.188) 0.262 13.500 ( -0.261 -0.000 1.304) 1.330 13.535 ( -0.142 -0.000 -0.245) 0.283 22.904 ( 2.919 0.000 -0.102) 2.921 23.357 ( 12.779 0.000 0.005) 12.779 24.069 ( 6.040 0.000 5.807) 8.379 24.379 ( 14.643 0.000 -5.657) 15.698 ======================= Grid point 185 (89/160) ======================= q-point: ( 0.33 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.117 ( 1.837 2.565 -3.494) 4.708 1.332 ( 0.186 -4.031 8.206) 9.144 2.040 ( 8.010 -2.426 9.452) 12.624 2.104 ( 7.787 -3.995 9.245) 12.731 2.201 ( 8.348 -8.516 -1.974) 12.087 2.354 ( -4.740 0.633 -18.579) 19.184 2.590 ( -12.887 1.749 -2.962) 13.338 3.040 ( 7.453 0.278 -5.410) 9.214 3.236 ( -1.183 0.478 5.887) 6.024 3.307 ( 2.834 7.165 5.819) 9.656 3.473 ( 0.385 1.943 -1.455) 2.458 3.584 ( -2.325 1.882 -4.324) 5.258 3.623 ( 1.885 0.556 3.484) 4.000 3.838 ( 2.233 -3.911 -2.924) 5.369 3.901 ( -3.728 -5.796 3.643) 7.795 4.142 ( 3.382 -1.434 0.938) 3.791 4.308 ( 1.518 -0.678 -10.075) 10.211 4.497 ( 5.175 -1.459 4.536) 7.034 4.562 ( 4.222 0.559 1.293) 4.451 4.631 ( 8.959 0.587 1.333) 9.076 4.754 ( 2.191 1.144 1.404) 2.843 5.004 ( 2.704 -2.756 -4.530) 5.952 5.442 ( -7.677 -2.234 -5.541) 9.728 6.036 ( 1.082 0.595 1.863) 2.235 6.136 ( 3.132 3.090 2.425) 5.024 6.192 ( -2.602 -0.193 2.284) 3.468 6.287 ( 2.095 -2.224 6.569) 7.245 6.396 ( 1.595 0.714 -2.435) 2.997 7.320 ( -14.026 4.784 -0.400) 14.824 7.510 ( -14.025 1.064 -1.570) 14.153 8.050 ( -1.367 2.138 -0.891) 2.689 8.192 ( -2.945 0.398 -2.276) 3.743 8.272 ( -0.263 3.847 -1.410) 4.106 8.452 ( -1.617 -0.699 0.620) 1.867 12.790 ( 0.647 0.122 -0.640) 0.918 12.806 ( 0.224 -0.657 -0.167) 0.714 13.505 ( -0.254 -0.084 1.314) 1.341 13.534 ( -0.073 -0.079 -0.075) 0.131 22.971 ( 3.277 -3.502 -0.063) 4.796 23.520 ( 10.771 -5.543 -0.634) 12.130 24.166 ( 4.948 -0.757 7.366) 8.906 24.511 ( 11.453 -3.174 -3.857) 12.495 ======================= Grid point 186 (90/160) ======================= q-point: ( 0.44 0.22 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( 2.535 0.229 -2.961) 3.904 1.371 ( -4.584 1.573 5.994) 7.708 2.204 ( -0.746 1.823 0.503) 2.033 2.262 ( 7.123 -10.241 -8.354) 15.014 2.290 ( 3.299 -1.842 14.050) 14.549 2.380 ( 0.247 -5.220 -6.390) 8.255 2.522 ( 0.529 -6.452 0.179) 6.477 3.010 ( -1.244 5.068 -0.262) 5.225 3.183 ( 2.458 11.928 5.769) 13.475 3.268 ( 0.532 -3.890 -4.923) 6.297 3.356 ( 0.336 7.647 -8.626) 11.533 3.499 ( -3.381 0.982 -0.458) 3.550 3.713 ( -0.504 -3.324 7.667) 8.371 3.918 ( 2.519 -4.277 -2.982) 5.791 4.018 ( 1.133 -6.373 3.957) 7.586 4.157 ( -0.256 1.620 -1.500) 2.222 4.292 ( 0.303 -1.356 -6.982) 7.119 4.564 ( 2.758 -3.390 -8.196) 9.288 4.569 ( 3.007 2.650 0.372) 4.025 4.751 ( 8.216 -0.057 6.240) 10.317 4.787 ( 2.776 -0.674 5.619) 6.303 5.011 ( -2.275 -0.298 -2.779) 3.603 5.415 ( -3.851 -3.659 -2.956) 6.079 6.035 ( 0.121 0.596 -0.163) 0.630 6.124 ( 2.962 2.620 0.673) 4.012 6.175 ( -3.091 1.019 4.235) 5.341 6.351 ( -0.065 -0.755 4.251) 4.318 6.381 ( 0.934 1.338 -0.924) 1.875 7.128 ( -7.538 4.071 -2.026) 8.804 7.376 ( -9.415 0.186 -2.281) 9.689 7.993 ( -0.167 2.951 -0.736) 3.045 8.146 ( -2.513 0.182 -2.979) 3.901 8.216 ( 1.125 3.478 1.948) 4.142 8.445 ( -1.842 -0.358 0.416) 1.922 12.798 ( 1.289 -0.326 -0.697) 1.501 12.819 ( 0.237 -0.547 0.074) 0.601 13.511 ( -0.332 -0.061 1.269) 1.314 13.536 ( 0.027 -0.189 0.071) 0.204 23.064 ( 3.073 -3.625 -0.040) 4.752 23.713 ( 6.521 -7.473 -2.092) 10.136 24.249 ( 2.924 -0.063 7.460) 8.013 24.645 ( 7.232 -3.130 -1.524) 8.026 ======================= Grid point 187 (91/160) ======================= q-point: ( 0.56 0.22 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( 2.742 -1.499 -2.039) 3.731 1.297 ( -5.841 1.615 1.546) 6.254 2.103 ( -3.107 5.158 4.618) 7.588 2.384 ( 2.814 -2.238 5.630) 6.680 2.418 ( 2.272 -0.292 1.897) 2.974 2.540 ( 5.394 -6.838 -11.169) 14.163 2.657 ( -1.316 -10.507 4.028) 11.329 2.902 ( 2.352 6.076 5.017) 8.223 3.043 ( 3.980 9.914 0.144) 10.684 3.204 ( 0.100 5.839 -3.499) 6.808 3.321 ( -0.096 -4.486 -5.782) 7.319 3.465 ( -4.384 -1.856 0.872) 4.840 3.788 ( -1.327 -3.006 4.117) 5.268 3.976 ( -0.018 -0.564 -1.046) 1.189 4.095 ( -0.842 1.351 -3.242) 3.612 4.147 ( 2.467 -3.577 4.187) 6.034 4.286 ( -0.666 -1.406 -5.051) 5.285 4.512 ( -1.135 2.196 -4.721) 5.329 4.622 ( 6.178 -1.166 -4.952) 8.003 4.778 ( 2.476 5.240 -0.659) 5.833 4.846 ( -1.113 -1.096 3.752) 4.064 4.998 ( -3.565 -3.726 -0.267) 5.164 5.460 ( 1.200 -3.205 1.666) 3.806 6.019 ( -0.886 0.215 -1.437) 1.702 6.103 ( 1.248 2.832 0.191) 3.101 6.154 ( -0.733 1.417 4.761) 5.021 6.356 ( 1.102 0.356 -2.614) 2.859 6.367 ( -2.743 0.443 3.453) 4.432 7.039 ( -0.547 0.630 -1.980) 2.148 7.308 ( -5.536 -1.652 -1.661) 6.011 7.952 ( 1.031 1.844 -0.005) 2.113 8.112 ( -1.775 0.022 -2.153) 2.790 8.193 ( 1.752 2.136 2.551) 3.760 8.436 ( -1.889 -0.420 0.071) 1.936 12.813 ( 1.285 -0.026 -0.450) 1.362 12.827 ( 0.078 -0.225 -0.030) 0.240 13.513 ( -0.439 0.062 1.187) 1.267 13.541 ( 0.079 -0.253 0.137) 0.299 23.145 ( 3.299 -2.059 0.848) 3.980 23.851 ( 1.331 -6.195 -5.556) 8.427 24.296 ( 1.762 1.504 7.664) 8.007 24.719 ( 3.078 -0.050 -0.530) 3.123 ======================= Grid point 188 (92/160) ======================= q-point: (-0.33 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( 3.004 -1.951 -0.507) 3.618 1.256 ( -4.586 -2.122 0.370) 5.067 2.055 ( 1.702 3.916 8.614) 9.614 2.281 ( -4.682 13.319 0.590) 14.130 2.409 ( -6.350 0.939 7.777) 10.084 2.646 ( 9.469 -5.968 -4.507) 12.066 2.845 ( 2.531 -1.218 -6.591) 7.165 2.905 ( 1.877 -2.736 -1.427) 3.612 2.963 ( 7.837 5.774 6.605) 11.764 3.142 ( 2.028 1.909 5.074) 5.788 3.334 ( -4.872 -3.051 -1.790) 6.021 3.516 ( -1.028 -6.441 -1.835) 6.776 3.811 ( -2.833 -0.309 -2.445) 3.755 3.919 ( -0.625 3.835 3.798) 5.433 4.101 ( -0.046 -2.486 -3.450) 4.253 4.204 ( 1.340 2.110 3.530) 4.325 4.279 ( -1.518 -1.487 -2.412) 3.215 4.417 ( -3.931 2.596 -6.817) 8.286 4.640 ( -0.860 7.427 -3.373) 8.202 4.700 ( 7.393 -0.172 0.200) 7.398 4.856 ( -3.431 -1.780 0.311) 3.878 5.027 ( -2.947 -3.982 -5.499) 7.401 5.546 ( 4.130 -1.586 4.964) 6.649 6.004 ( -1.391 -0.989 -2.445) 2.982 6.063 ( 0.476 2.937 1.512) 3.337 6.160 ( 0.988 0.661 3.402) 3.604 6.337 ( -5.009 -0.326 -0.194) 5.023 6.358 ( 1.719 -0.673 -2.479) 3.091 7.071 ( 3.730 -2.840 0.466) 4.711 7.305 ( -3.955 -3.907 -0.521) 5.584 7.954 ( 1.733 -0.210 0.707) 1.883 8.089 ( -1.830 -0.422 -1.628) 2.486 8.206 ( 3.349 0.702 2.661) 4.335 8.423 ( -2.196 -0.517 -0.773) 2.384 12.811 ( -0.038 0.787 0.144) 0.801 12.831 ( 0.730 0.041 -0.733) 1.035 13.512 ( -0.523 0.200 1.114) 1.247 13.546 ( 0.040 -0.203 0.070) 0.219 23.202 ( 4.089 0.410 2.407) 4.762 23.881 ( -3.985 -3.225 -9.874) 11.126 24.308 ( 1.969 3.795 7.605) 8.725 24.691 ( 0.355 4.896 -0.872) 4.985 ======================= Grid point 189 (93/160) ======================= q-point: (-0.22 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( 0.979 -1.751 -1.455) 2.478 1.279 ( -1.667 -2.969 3.828) 5.124 1.982 ( -2.871 14.129 10.363) 17.755 2.057 ( 1.546 9.996 7.369) 12.515 2.384 ( -4.581 -3.757 -0.436) 5.941 2.737 ( 4.698 2.406 -5.827) 7.862 2.835 ( 5.158 0.003 -2.144) 5.586 2.888 ( 2.814 12.152 10.686) 16.425 2.990 ( 2.676 -3.835 -0.337) 4.689 3.253 ( 8.093 -2.839 2.624) 8.969 3.358 ( -5.078 -6.040 1.387) 8.012 3.584 ( -3.294 -4.185 -1.051) 5.428 3.751 ( 0.534 1.257 -5.187) 5.364 3.897 ( -1.635 2.966 3.481) 4.857 4.085 ( -7.034 0.427 -4.954) 8.614 4.140 ( -0.325 3.202 -2.152) 3.872 4.253 ( -4.377 0.215 -0.775) 4.451 4.353 ( 3.543 1.550 0.629) 3.918 4.502 ( -2.390 5.268 1.939) 6.101 4.727 ( 3.424 4.556 -1.887) 6.003 4.881 ( 1.412 -3.675 -4.948) 6.323 5.025 ( -0.815 -2.959 -8.052) 8.617 5.637 ( 4.941 -0.734 6.224) 7.980 5.997 ( -1.996 -1.362 -3.638) 4.367 6.035 ( 0.498 1.768 2.200) 2.866 6.177 ( 0.768 0.239 2.826) 2.938 6.277 ( -6.379 0.120 -3.299) 7.182 6.387 ( 1.970 -1.912 -2.850) 3.957 7.205 ( 5.011 -6.783 4.285) 9.460 7.357 ( -4.798 -7.056 0.729) 8.564 7.990 ( 1.239 -1.560 0.801) 2.147 8.075 ( -1.963 -1.156 -1.653) 2.814 8.262 ( 5.219 -0.849 2.840) 6.002 8.405 ( -2.442 -0.933 -1.769) 3.157 12.795 ( -0.364 0.697 0.146) 0.800 12.828 ( 0.625 0.614 -0.969) 1.307 13.508 ( -0.567 0.282 1.079) 1.251 13.548 ( -0.046 -0.082 -0.102) 0.138 23.233 ( 5.329 3.127 4.074) 7.401 23.781 ( -8.622 1.430 -12.970) 15.640 24.279 ( 2.355 6.217 6.108) 9.028 24.564 ( 1.188 9.519 -1.969) 9.793 ======================= Grid point 190 (94/160) ======================= q-point: (-0.11 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.220 ( -3.974 1.009 0.745) 4.167 1.328 ( 2.046 -0.160 0.859) 2.225 1.814 ( 3.393 12.167 16.898) 21.098 1.912 ( -1.515 11.785 10.351) 15.758 2.384 ( -0.353 1.144 -9.948) 10.020 2.709 ( 4.370 13.924 12.150) 18.989 2.744 ( 3.131 -3.330 -6.697) 8.108 2.884 ( 1.899 2.336 5.325) 6.117 3.090 ( 5.098 -3.623 -2.650) 6.792 3.348 ( 6.501 0.615 3.782) 7.546 3.446 ( -2.822 -6.288 -0.119) 6.893 3.596 ( -6.902 -1.427 0.936) 7.110 3.680 ( -5.872 3.653 -7.078) 9.896 3.806 ( 2.243 1.725 -0.466) 2.868 3.991 ( -5.477 0.263 -2.066) 5.859 4.085 ( 0.382 3.853 -0.305) 3.883 4.225 ( -3.627 -0.981 1.330) 3.986 4.389 ( 5.812 0.485 0.602) 5.864 4.446 ( -1.547 2.372 7.553) 8.067 4.629 ( -1.372 5.593 -2.327) 6.211 4.877 ( 3.689 1.472 -14.624) 15.153 5.065 ( 4.914 -2.547 -6.739) 8.721 5.723 ( 3.347 -0.859 6.084) 6.997 5.958 ( -3.858 0.579 -3.066) 4.962 6.040 ( 1.071 -0.040 1.874) 2.159 6.171 ( -2.906 2.451 -3.200) 4.969 6.203 ( -1.944 -0.336 2.238) 2.983 6.417 ( 1.328 -1.281 -3.444) 3.907 7.429 ( 1.354 -10.293 5.711) 11.849 7.462 ( -5.718 -12.160 3.167) 13.806 8.032 ( 0.072 -2.101 1.022) 2.338 8.075 ( -1.757 -1.868 -1.630) 3.039 8.346 ( 3.481 -1.358 1.914) 4.198 8.401 ( -0.400 -2.490 -2.638) 3.650 12.786 ( -0.172 0.087 0.048) 0.198 12.816 ( 0.517 0.692 -0.940) 1.277 13.503 ( -0.560 0.284 1.097) 1.264 13.547 ( -0.120 0.024 -0.295) 0.320 23.241 ( 6.685 5.289 4.851) 9.808 23.543 ( -10.254 8.040 -12.661) 18.169 24.199 ( 0.876 7.853 3.393) 8.599 24.406 ( 7.323 11.302 -3.500) 13.914 ======================= Grid point 194 (95/160) ======================= q-point: ( 0.33 0.33 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( 3.076 0.000 -4.479) 5.433 1.342 ( -0.448 -0.000 12.367) 12.375 2.097 ( 7.499 0.000 -13.293) 15.262 2.172 ( 3.134 0.000 0.446) 3.166 2.219 ( 5.812 0.000 18.207) 19.113 2.268 ( 2.821 0.000 -3.619) 4.588 2.466 ( -12.886 -0.000 -2.179) 13.069 3.121 ( 10.562 0.000 -4.439) 11.457 3.160 ( -8.719 -0.000 -2.655) 9.114 3.496 ( -0.083 -0.000 -3.348) 3.349 3.516 ( 5.124 0.000 12.560) 13.565 3.584 ( 3.345 0.000 2.461) 4.153 3.658 ( 1.627 0.000 -7.443) 7.619 3.772 ( 0.755 0.000 0.067) 0.758 3.822 ( -3.382 -0.000 1.649) 3.762 4.159 ( 2.912 0.000 -0.969) 3.069 4.266 ( 2.666 0.000 -10.200) 10.543 4.514 ( -0.623 -0.000 -1.483) 1.609 4.594 ( 3.822 0.000 -2.523) 4.579 4.722 ( 2.040 0.000 1.977) 2.841 4.818 ( 6.378 0.000 6.101) 8.826 4.997 ( 3.059 0.000 -2.644) 4.044 5.339 ( -4.084 -0.000 -2.272) 4.674 6.049 ( -0.492 -0.000 0.095) 0.501 6.173 ( -2.604 -0.000 1.567) 3.040 6.221 ( 3.192 0.000 3.708) 4.893 6.304 ( 0.992 0.000 5.758) 5.843 6.409 ( 0.876 0.000 -0.717) 1.132 7.227 ( -12.281 -0.000 -1.483) 12.370 7.368 ( -13.264 -0.000 -3.141) 13.631 8.055 ( -0.872 -0.000 -0.238) 0.904 8.149 ( -2.788 -0.000 -2.898) 4.022 8.306 ( 0.858 0.000 -0.639) 1.070 8.431 ( -2.035 -0.000 0.911) 2.230 12.797 ( 0.050 0.000 0.188) 0.195 12.798 ( 1.026 0.000 -0.904) 1.368 13.509 ( -0.260 -0.000 1.327) 1.352 13.533 ( 0.005 0.000 0.085) 0.085 22.987 ( 4.415 0.000 1.936) 4.820 23.557 ( 8.853 0.000 -3.140) 9.393 24.250 ( 3.557 0.000 10.180) 10.783 24.575 ( 10.975 0.000 -2.999) 11.378 ======================= Grid point 195 (96/160) ======================= q-point: ( 0.44 0.33 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( 3.154 2.303 -3.536) 5.268 1.386 ( -5.405 1.018 10.796) 12.116 2.141 ( 5.193 -4.839 -7.476) 10.309 2.205 ( 5.993 -4.450 -11.021) 13.311 2.301 ( -4.825 1.101 3.131) 5.857 2.363 ( -0.026 -1.416 17.020) 17.079 2.429 ( 3.785 -5.216 4.770) 8.018 3.048 ( -6.282 0.957 -4.347) 7.699 3.195 ( 4.674 -0.880 -3.585) 5.956 3.418 ( -2.100 7.964 0.442) 8.248 3.479 ( 3.930 6.999 -6.149) 10.111 3.530 ( 3.675 6.423 0.736) 7.437 3.704 ( -0.836 -0.980 7.686) 7.793 3.856 ( 1.843 -4.337 -2.157) 5.182 3.898 ( 1.075 -9.552 1.979) 9.814 4.171 ( 0.767 0.608 -2.926) 3.085 4.247 ( 1.916 -0.043 -7.865) 8.095 4.489 ( -2.163 -1.777 -6.311) 6.904 4.625 ( 4.884 -0.176 -2.461) 5.472 4.728 ( -3.902 -2.919 -0.265) 4.880 4.881 ( 2.408 1.348 3.976) 4.840 4.999 ( 0.206 1.025 -1.982) 2.241 5.359 ( 3.235 -1.854 4.327) 5.712 6.031 ( -1.390 0.331 -1.812) 2.308 6.156 ( -2.253 0.331 1.842) 2.928 6.234 ( 2.427 3.086 4.595) 6.044 6.351 ( -0.248 -1.134 3.596) 3.779 6.403 ( -0.475 0.766 0.045) 0.902 7.100 ( -6.843 2.128 -2.160) 7.484 7.253 ( -9.348 -1.432 -3.829) 10.202 8.034 ( 0.090 1.849 0.088) 1.853 8.117 ( -1.025 0.159 -2.147) 2.384 8.291 ( 1.468 2.671 0.921) 3.184 8.419 ( -2.308 -0.502 0.313) 2.383 12.801 ( 0.750 -0.321 -0.212) 0.843 12.811 ( 0.643 -0.583 -0.343) 0.933 13.513 ( -0.326 -0.028 1.286) 1.327 13.535 ( 0.116 -0.088 0.208) 0.254 23.058 ( 4.063 -2.005 2.653) 5.251 23.643 ( 4.523 -4.318 -4.918) 7.955 24.323 ( 1.425 0.294 10.616) 10.715 24.675 ( 8.786 -1.385 -1.318) 8.992 ======================= Grid point 196 (97/160) ======================= q-point: ( 0.56 0.33 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( 3.154 0.236 -3.634) 4.818 1.303 ( -7.454 4.476 5.270) 10.167 2.122 ( -8.975 0.841 2.624) 9.389 2.358 ( 5.294 -9.200 -9.921) 14.529 2.393 ( 9.599 -6.304 1.396) 11.569 2.465 ( -0.157 -2.088 11.906) 12.089 2.553 ( -0.132 -2.649 8.322) 8.735 2.978 ( -2.105 -0.886 -4.759) 5.279 3.197 ( 2.090 5.511 -3.129) 6.673 3.279 ( 2.877 2.677 -3.417) 5.208 3.365 ( 2.965 7.797 -3.923) 9.218 3.453 ( 0.100 5.452 5.236) 7.560 3.743 ( -3.096 -1.936 4.386) 5.707 3.940 ( 2.025 -4.003 -1.767) 4.822 4.057 ( -0.496 -5.429 -1.246) 5.592 4.115 ( -1.194 0.572 -2.280) 2.636 4.234 ( 0.695 -0.850 -5.481) 5.590 4.457 ( -3.767 -1.215 -7.881) 8.819 4.661 ( 4.986 -0.199 -3.806) 6.276 4.781 ( -0.635 -5.739 -0.769) 5.825 4.861 ( -3.063 2.328 2.793) 4.754 4.946 ( -1.764 2.746 -1.044) 3.427 5.471 ( 5.938 -1.991 6.643) 9.130 5.996 ( -2.253 0.274 -3.281) 3.989 6.137 ( -1.642 0.996 2.416) 3.086 6.226 ( 2.220 2.970 4.543) 5.864 6.361 ( -2.101 0.461 2.810) 3.539 6.374 ( -0.415 1.497 -1.602) 2.232 7.033 ( -0.232 0.286 -1.954) 1.989 7.199 ( -5.839 -2.603 -3.372) 7.228 8.003 ( 1.240 2.415 0.411) 2.746 8.095 ( -0.657 0.649 -1.677) 1.915 8.269 ( 2.501 2.737 2.295) 4.361 8.407 ( -2.230 -0.555 -0.258) 2.313 12.816 ( 0.264 -0.555 -0.008) 0.614 12.824 ( 0.993 -0.379 -0.416) 1.142 13.516 ( -0.413 0.034 1.207) 1.276 13.540 ( 0.178 -0.149 0.257) 0.346 23.152 ( 4.015 -2.628 3.295) 5.821 23.715 ( -1.060 -5.339 -7.250) 9.066 24.374 ( 0.140 0.600 10.196) 10.215 24.756 ( 5.797 -0.097 -0.586) 5.828 ======================= Grid point 197 (98/160) ======================= q-point: (-0.33 -0.67 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( -0.405 -2.060 -3.059) 3.710 1.215 ( -2.056 1.178 2.602) 3.519 2.075 ( -6.027 -2.829 3.220) 7.396 2.373 ( -8.277 3.651 -4.158) 9.956 2.421 ( -6.689 2.859 11.965) 14.003 2.661 ( 17.776 -5.327 3.066) 18.809 2.715 ( 0.026 -8.703 2.737) 9.123 2.984 ( 2.355 -1.727 -6.556) 7.177 3.059 ( 4.014 8.137 -4.940) 10.331 3.254 ( 1.390 4.482 -1.956) 5.084 3.339 ( 3.465 -1.559 3.345) 5.062 3.420 ( -0.238 0.909 7.136) 7.198 3.745 ( -4.238 -1.763 -2.468) 5.211 3.984 ( 0.800 1.868 1.138) 2.329 4.024 ( -2.427 -2.306 -3.756) 5.032 4.171 ( -3.923 -3.979 -5.401) 7.771 4.229 ( -0.455 -1.073 -3.159) 3.367 4.402 ( -0.814 0.194 -2.098) 2.259 4.697 ( 3.745 -0.915 -5.744) 6.918 4.745 ( -5.391 4.255 1.723) 7.081 4.858 ( 1.112 2.029 1.478) 2.746 4.918 ( 0.641 -3.489 -3.079) 4.697 5.588 ( 4.802 -1.687 6.470) 8.232 5.953 ( -2.672 -0.581 -4.187) 5.000 6.112 ( -1.276 1.987 3.144) 3.932 6.224 ( 2.672 2.296 3.367) 4.873 6.305 ( -4.720 2.064 0.584) 5.185 6.361 ( 1.886 0.359 -2.176) 2.901 7.063 ( 3.535 -2.310 -0.103) 4.224 7.189 ( -4.318 -3.523 -2.681) 6.184 7.988 ( 1.671 1.493 1.131) 2.510 8.065 ( -1.604 0.519 -1.562) 2.298 8.278 ( 4.415 1.607 2.884) 5.513 8.389 ( -2.238 -0.234 -1.216) 2.558 12.816 ( -0.735 0.207 0.097) 0.769 12.839 ( 1.352 -0.085 -0.541) 1.459 13.516 ( -0.494 0.153 1.127) 1.240 13.545 ( 0.138 -0.120 0.204) 0.274 23.252 ( 4.747 -1.822 4.414) 6.733 23.720 ( -5.859 -3.947 -9.617) 11.934 24.405 ( -0.515 1.402 9.069) 9.192 24.772 ( 3.636 3.090 -1.239) 4.930 ======================= Grid point 198 (99/160) ======================= q-point: (-0.22 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.160 ( -3.233 -3.601 -0.673) 4.886 1.250 ( 2.638 -2.338 1.210) 3.727 2.134 ( -4.841 -5.996 1.635) 7.878 2.183 ( -3.851 7.721 5.492) 10.228 2.336 ( -6.089 6.163 8.447) 12.100 2.747 ( -3.998 -0.557 -4.617) 6.133 2.916 ( 6.636 1.979 -6.902) 9.777 2.929 ( 11.421 0.339 1.515) 11.526 3.036 ( -5.075 -3.013 -2.665) 6.476 3.264 ( 5.715 -3.405 1.127) 6.747 3.386 ( 3.846 3.870 12.777) 13.893 3.499 ( 1.628 -4.009 3.788) 5.751 3.712 ( -1.573 -1.524 -7.406) 7.723 3.948 ( -3.769 3.580 -0.978) 5.289 3.986 ( -6.145 0.163 -4.096) 7.387 4.127 ( -0.338 -1.164 -5.381) 5.516 4.224 ( -1.630 -0.331 -0.459) 1.726 4.435 ( 4.622 0.206 2.791) 5.404 4.590 ( -2.970 6.345 3.100) 7.661 4.726 ( -7.019 -2.413 -4.829) 8.855 4.859 ( 8.914 0.969 -2.390) 9.279 4.964 ( 1.708 -1.732 -4.171) 4.828 5.679 ( 2.275 -1.501 5.669) 6.290 5.934 ( -1.261 -1.945 -4.372) 4.949 6.074 ( -2.159 2.397 3.006) 4.410 6.223 ( -2.369 0.871 -1.469) 2.920 6.235 ( 1.336 2.778 2.634) 4.054 6.371 ( 1.937 -0.624 -2.282) 3.058 7.163 ( 2.150 -5.076 2.120) 5.906 7.208 ( -2.931 -4.481 -1.436) 5.544 7.991 ( -0.012 -0.008 1.127) 1.127 8.042 ( -0.666 -0.166 -1.256) 1.432 8.322 ( 4.845 0.345 2.745) 5.580 8.361 ( -2.017 -0.122 -2.247) 3.022 12.801 ( -0.843 0.558 0.042) 1.012 12.843 ( 0.940 0.597 -0.626) 1.277 13.513 ( -0.543 0.250 1.087) 1.241 13.547 ( 0.035 -0.008 0.067) 0.076 23.341 ( 5.583 0.280 5.633) 7.936 23.643 ( -8.085 -1.071 -10.817) 13.547 24.399 ( -1.191 3.288 6.883) 7.720 24.714 ( 3.770 6.456 -2.529) 7.892 ======================= Grid point 199 (100/160) ======================= q-point: (-0.11 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( -3.359 -1.862 0.738) 3.911 1.321 ( 2.143 -2.288 0.181) 3.140 2.043 ( -0.493 6.176 11.345) 12.927 2.190 ( 0.684 11.740 10.962) 16.076 2.265 ( -3.497 -7.930 -4.376) 9.709 2.702 ( -1.390 -0.328 -2.627) 2.990 2.793 ( -1.326 4.295 -11.430) 12.282 2.978 ( -6.690 -1.130 0.160) 6.787 3.103 ( 8.266 -2.118 -1.649) 8.691 3.370 ( 1.500 -0.551 6.897) 7.080 3.462 ( 3.760 -1.673 5.138) 6.583 3.562 ( 2.454 2.158 4.545) 5.598 3.655 ( -6.797 5.184 -5.955) 10.418 3.811 ( 3.428 -2.464 -5.587) 7.003 3.962 ( -1.101 0.898 1.640) 2.170 4.128 ( 1.359 1.088 -2.127) 2.748 4.212 ( -1.493 0.361 2.438) 2.882 4.444 ( 1.292 2.085 -0.385) 2.483 4.543 ( 0.210 2.781 9.916) 10.300 4.647 ( -3.010 1.148 -4.858) 5.829 4.875 ( 4.710 2.604 -12.759) 13.848 5.020 ( 3.611 -4.224 -1.156) 5.676 5.728 ( -2.200 -1.194 2.706) 3.686 5.944 ( 1.712 -0.463 -2.249) 2.864 6.035 ( -2.689 -0.020 1.587) 3.122 6.168 ( -2.407 1.006 -0.167) 2.615 6.234 ( 2.774 2.357 2.363) 4.340 6.391 ( 1.343 -1.189 -2.869) 3.384 7.235 ( -6.887 -7.099 -0.621) 9.910 7.327 ( 2.487 -7.422 4.146) 8.858 7.993 ( -2.229 -1.432 -0.486) 2.693 8.049 ( 1.138 -0.509 0.566) 1.369 8.324 ( -2.800 -0.665 -2.991) 4.151 8.391 ( 4.354 -0.861 1.620) 4.725 12.787 ( -0.356 0.277 -0.033) 0.452 12.833 ( 0.609 0.972 -0.678) 1.333 13.509 ( -0.521 0.280 1.106) 1.254 13.546 ( -0.061 0.113 -0.097) 0.161 23.379 ( 0.539 3.100 1.623) 3.541 23.522 ( -1.337 2.870 -5.257) 6.137 24.333 ( -1.715 6.011 3.688) 7.258 24.621 ( 6.364 7.981 -3.407) 10.761 ======================= Grid point 204 (101/160) ======================= q-point: ( 0.44 0.44 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( 1.159 0.000 -2.409) 2.673 1.400 ( -6.597 -0.000 10.662) 12.538 2.116 ( -5.751 -0.000 -2.954) 6.465 2.136 ( 7.307 0.000 -7.683) 10.603 2.282 ( 4.426 0.000 -3.009) 5.352 2.427 ( -3.908 -0.000 18.842) 19.243 2.507 ( 9.186 0.000 11.375) 14.621 2.924 ( -9.497 -0.000 -9.123) 13.169 3.217 ( 0.875 0.000 -4.066) 4.159 3.445 ( 1.379 0.000 -0.085) 1.382 3.571 ( 3.333 0.000 -10.887) 11.386 3.705 ( 3.996 0.000 4.258) 5.839 3.715 ( 0.106 0.000 7.480) 7.480 3.774 ( -3.526 -0.000 2.307) 4.214 3.845 ( 6.569 0.000 -1.174) 6.673 4.159 ( 0.008 0.000 -5.781) 5.781 4.245 ( 3.792 0.000 -7.080) 8.031 4.391 ( -6.811 -0.000 -7.439) 10.086 4.629 ( -7.578 -0.000 -2.221) 7.896 4.648 ( 5.284 0.000 -4.151) 6.720 4.911 ( -0.815 -0.000 2.438) 2.570 5.006 ( -0.003 -0.000 -0.840) 0.840 5.440 ( 7.546 0.000 8.657) 11.484 6.003 ( -2.424 -0.000 -3.361) 4.144 6.148 ( -1.894 -0.000 2.581) 3.201 6.315 ( 2.224 0.000 4.406) 4.936 6.346 ( -2.703 -0.000 5.945) 6.531 6.400 ( 0.310 0.000 -2.469) 2.489 7.054 ( -4.018 -0.000 -1.879) 4.436 7.142 ( -5.797 -0.000 -4.606) 7.404 8.053 ( 0.106 0.000 0.703) 0.711 8.112 ( 0.977 0.000 -1.276) 1.607 8.335 ( 2.128 0.000 0.479) 2.181 8.393 ( -2.255 -0.000 -0.054) 2.256 12.798 ( -0.168 -0.000 0.167) 0.237 12.815 ( 1.414 0.000 -0.653) 1.558 13.516 ( -0.367 -0.000 1.245) 1.298 13.537 ( 0.229 0.000 0.309) 0.385 23.093 ( 3.060 0.000 4.311) 5.287 23.610 ( 1.535 0.000 -6.336) 6.519 24.379 ( -1.523 -0.000 11.235) 11.338 24.746 ( 8.949 0.000 -0.749) 8.980 ======================= Grid point 205 (102/160) ======================= q-point: (-0.44 -0.56 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( 0.442 1.443 -1.249) 1.959 1.340 ( -6.898 3.807 5.649) 9.695 2.014 ( -13.327 -0.809 0.310) 13.355 2.218 ( 2.066 -5.295 -4.704) 7.378 2.412 ( 13.867 -4.571 1.046) 14.639 2.473 ( -7.804 -1.464 17.513) 19.229 2.654 ( 9.673 0.954 10.828) 14.551 2.823 ( -7.233 -4.587 -11.619) 14.435 3.186 ( -2.965 -1.690 -4.787) 5.879 3.424 ( 4.437 7.675 2.255) 9.148 3.480 ( 4.093 5.968 -10.154) 12.469 3.632 ( 0.898 7.070 6.048) 9.347 3.720 ( -3.412 1.513 1.766) 4.129 3.860 ( -1.580 -5.959 1.602) 6.370 3.946 ( 3.304 -4.768 -2.885) 6.479 4.103 ( -2.012 1.135 -6.639) 7.030 4.225 ( 1.710 1.182 -5.167) 5.570 4.340 ( -3.614 -3.586 -6.189) 8.014 4.588 ( -5.874 -4.258 -2.598) 7.706 4.710 ( 5.486 -3.596 -3.889) 7.626 4.892 ( -2.141 2.365 3.585) 4.799 4.985 ( 0.121 2.054 -0.381) 2.093 5.554 ( 6.664 -0.223 7.963) 10.386 5.953 ( -3.313 0.185 -4.657) 5.718 6.146 ( -1.107 0.280 3.190) 3.388 6.312 ( -0.913 2.429 5.524) 6.103 6.359 ( -2.295 0.261 4.241) 4.829 6.390 ( 2.107 0.771 -3.260) 3.957 7.025 ( 0.530 -0.235 -1.729) 1.824 7.099 ( -2.514 -1.696 -4.150) 5.140 8.048 ( 0.588 1.192 0.754) 1.528 8.108 ( 1.102 1.433 -1.273) 2.211 8.344 ( 2.668 1.761 1.252) 3.433 8.377 ( -1.215 -0.453 -0.530) 1.401 12.803 ( -0.409 -0.648 0.045) 0.768 12.828 ( 1.369 -0.324 -0.518) 1.499 13.518 ( -0.425 0.011 1.165) 1.240 13.542 ( 0.297 -0.046 0.332) 0.448 23.161 ( 2.245 -2.316 5.144) 6.072 23.594 ( -2.770 -2.449 -7.559) 8.415 24.411 ( -3.479 -0.346 10.515) 11.081 24.821 ( 7.396 0.441 -0.632) 7.436 ======================= Grid point 206 (103/160) ======================= q-point: (-0.33 -0.56 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.106 ( -3.593 1.532 0.343) 3.921 1.253 ( -0.677 2.524 1.394) 2.962 1.924 ( -13.580 -4.058 0.821) 14.197 2.246 ( -8.655 -3.093 -0.129) 9.192 2.495 ( -5.953 1.008 13.647) 14.923 2.624 ( 3.523 -4.853 5.519) 8.150 2.767 ( 8.144 -3.101 -2.571) 9.086 2.845 ( 2.320 -5.938 -6.247) 8.925 3.203 ( 0.670 -2.597 -4.094) 4.894 3.300 ( 5.533 7.479 -8.529) 12.621 3.392 ( 2.918 6.824 4.736) 8.804 3.549 ( -1.434 4.710 5.003) 7.019 3.676 ( -2.905 -0.018 -0.092) 2.907 3.913 ( -5.649 -3.514 -0.732) 6.693 4.006 ( -1.315 -3.771 -3.405) 5.248 4.056 ( 1.070 1.136 -3.669) 3.987 4.204 ( 0.391 -0.196 -3.141) 3.172 4.356 ( -0.300 -3.242 -2.443) 4.071 4.618 ( -3.580 -5.237 -2.822) 6.943 4.762 ( -2.139 1.503 -2.109) 3.359 4.877 ( 2.812 -0.665 2.716) 3.966 4.954 ( 4.274 2.312 -1.223) 5.010 5.647 ( 4.158 -0.205 6.638) 7.835 5.894 ( -3.410 -0.296 -5.368) 6.366 6.144 ( -0.898 1.181 3.695) 3.982 6.274 ( -3.934 2.152 2.763) 5.267 6.344 ( 1.712 2.601 3.543) 4.717 6.382 ( 2.276 0.967 -2.408) 3.452 7.053 ( 1.694 -1.771 -0.814) 2.583 7.102 ( 0.659 -2.216 -3.408) 4.118 8.037 ( 1.332 1.661 0.925) 2.321 8.064 ( -1.244 2.254 -1.607) 3.035 8.345 ( 0.074 0.455 0.498) 0.679 8.383 ( 3.597 1.054 0.227) 3.755 12.806 ( -0.822 -0.354 -0.119) 0.902 12.845 ( 1.185 -0.405 -0.417) 1.319 13.519 ( -0.499 0.090 1.074) 1.188 13.547 ( 0.263 -0.023 0.277) 0.383 23.267 ( 2.960 -3.950 5.812) 7.625 23.554 ( -6.759 -2.912 -8.741) 11.427 24.431 ( -4.441 -0.658 9.023) 10.078 24.854 ( 5.224 2.345 -1.524) 5.926 ======================= Grid point 207 (104/160) ======================= q-point: (-0.22 -0.56 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( -3.834 -2.268 0.668) 4.504 1.259 ( 2.847 -0.590 0.519) 2.953 1.915 ( -12.302 -8.885 1.800) 15.281 2.192 ( -9.578 -1.008 3.059) 10.105 2.455 ( -3.238 5.126 12.233) 13.653 2.668 ( -5.100 -0.701 0.107) 5.149 2.817 ( -5.559 -5.426 -11.524) 13.897 2.990 ( 9.471 -3.357 -5.058) 11.250 3.110 ( 4.048 7.652 -5.695) 10.362 3.310 ( 5.305 0.088 -1.540) 5.524 3.408 ( 3.814 -1.632 7.654) 8.706 3.556 ( 3.441 -3.754 3.010) 5.916 3.657 ( -1.751 1.716 5.456) 5.982 3.845 ( -10.457 -0.367 -6.816) 12.488 4.029 ( 2.216 2.631 0.752) 3.521 4.063 ( 1.457 -4.265 -2.402) 5.107 4.204 ( -0.350 -0.650 -0.535) 0.912 4.411 ( -0.716 -4.403 -2.915) 5.329 4.625 ( -5.706 0.981 -0.369) 5.802 4.676 ( -0.957 2.177 1.632) 2.884 4.916 ( 2.105 -1.119 1.409) 2.770 4.992 ( 9.591 2.059 -5.135) 11.072 5.696 ( -0.385 -0.289 3.680) 3.712 5.870 ( -0.164 -2.085 -3.389) 3.982 6.109 ( -3.298 3.046 3.217) 5.524 6.210 ( -2.488 1.475 -0.539) 2.942 6.340 ( 3.986 3.537 3.914) 6.612 6.379 ( 1.926 0.495 -1.947) 2.784 7.079 ( -2.045 -2.511 -1.925) 3.767 7.165 ( 4.128 -3.030 0.151) 5.122 7.993 ( -2.233 1.774 -0.838) 2.973 8.049 ( 1.454 0.307 0.570) 1.592 8.326 ( -1.607 0.505 -1.787) 2.456 8.409 ( 5.323 1.576 1.427) 5.732 12.798 ( -0.940 0.167 -0.168) 0.970 12.855 ( 0.712 0.126 -0.445) 0.849 13.516 ( -0.583 0.174 1.017) 1.185 13.549 ( 0.152 0.071 0.167) 0.237 23.394 ( 3.185 -2.550 5.387) 6.757 23.487 ( -6.763 -3.367 -8.128) 11.096 24.433 ( -4.640 0.142 6.701) 8.152 24.825 ( 3.364 4.348 -2.858) 6.196 ======================= Grid point 208 (105/160) ======================= q-point: (-0.11 -0.56 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( -2.059 -3.909 0.768) 4.484 1.312 ( 2.818 -1.637 0.450) 3.290 1.998 ( -9.331 -11.342 1.725) 14.788 2.154 ( -4.039 0.079 6.483) 7.639 2.402 ( -0.235 5.855 10.318) 11.866 2.620 ( -6.755 -2.983 -2.732) 7.874 2.727 ( -5.937 0.980 -11.893) 13.328 2.980 ( 1.776 5.610 -3.729) 6.967 3.093 ( 3.546 -2.390 -6.423) 7.716 3.388 ( 5.040 -2.596 0.790) 5.724 3.483 ( 0.802 -0.933 4.882) 5.034 3.568 ( -8.775 3.563 -6.906) 11.722 3.734 ( -1.114 2.038 4.242) 4.836 3.778 ( 10.949 -6.220 5.426) 13.712 4.005 ( 1.066 2.210 1.755) 3.017 4.139 ( 3.741 -1.844 -1.581) 4.460 4.212 ( -0.704 -0.124 2.207) 2.319 4.435 ( -4.281 -4.065 -5.750) 8.241 4.520 ( -6.079 2.478 2.702) 7.099 4.693 ( 3.999 0.866 3.877) 5.637 4.960 ( 5.605 5.964 -7.965) 11.421 4.988 ( 3.932 -2.338 0.176) 4.578 5.694 ( -2.970 -0.416 -0.420) 3.028 5.921 ( 2.298 -3.222 -0.332) 3.971 6.031 ( -3.842 2.262 1.419) 4.679 6.172 ( -1.272 1.340 0.496) 1.913 6.334 ( 3.831 3.748 3.272) 6.279 6.380 ( 1.274 0.003 -2.228) 2.566 7.092 ( -3.198 -3.242 -2.072) 5.004 7.268 ( 2.380 -4.402 2.567) 5.624 7.954 ( -2.017 -0.111 -1.035) 2.269 8.066 ( 1.643 0.051 1.198) 2.034 8.284 ( -2.062 0.774 -3.070) 3.778 8.438 ( 3.469 0.931 1.291) 3.817 12.787 ( -0.436 0.142 -0.117) 0.474 12.849 ( 0.293 0.735 -0.516) 0.945 13.513 ( -0.599 0.181 1.034) 1.208 13.549 ( 0.038 0.191 0.043) 0.200 23.351 ( -7.121 0.684 -6.460) 9.639 23.568 ( 6.913 -2.665 4.962) 8.917 24.397 ( -4.055 2.504 3.555) 5.945 24.756 ( 2.702 4.922 -3.412) 6.571 ======================= Grid point 214 (106/160) ======================= q-point: (-0.44 -0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( -0.776 -0.000 2.394) 2.517 1.331 ( -6.676 -0.000 3.328) 7.460 1.863 ( -16.347 -0.000 -0.176) 16.348 2.185 ( -1.506 -0.000 2.370) 2.808 2.446 ( -11.250 -0.000 14.898) 18.669 2.522 ( 14.661 0.000 3.065) 14.978 2.631 ( -7.749 -0.000 -14.123) 16.109 2.819 ( 9.779 0.000 9.649) 13.738 3.110 ( -3.490 -0.000 -3.020) 4.616 3.462 ( -5.330 -0.000 -13.883) 14.871 3.575 ( 6.300 0.000 8.336) 10.449 3.680 ( -3.989 -0.000 -1.923) 4.428 3.757 ( -0.170 -0.000 -0.715) 0.735 3.798 ( 0.936 0.000 4.734) 4.825 3.954 ( 6.567 0.000 -4.002) 7.691 4.037 ( -3.273 -0.000 -6.061) 6.888 4.233 ( -2.361 -0.000 -3.748) 4.430 4.256 ( 3.045 0.000 -4.364) 5.322 4.476 ( -6.466 -0.000 -1.460) 6.629 4.697 ( 3.520 0.000 -4.084) 5.391 4.914 ( -2.025 -0.000 3.603) 4.133 5.007 ( 1.629 0.000 -0.533) 1.713 5.651 ( 5.635 0.000 7.242) 9.176 5.892 ( -4.538 -0.000 -5.690) 7.278 6.161 ( -0.053 -0.000 3.726) 3.726 6.321 ( -4.571 -0.000 4.801) 6.629 6.386 ( 0.835 0.000 4.548) 4.624 6.404 ( 2.379 0.000 -2.646) 3.558 7.026 ( 2.607 0.000 -1.579) 3.048 7.061 ( 1.244 0.000 -4.058) 4.244 8.064 ( 0.285 0.000 0.641) 0.701 8.135 ( 1.902 0.000 -1.298) 2.302 8.351 ( -1.605 -0.000 -0.812) 1.799 8.402 ( 4.455 0.000 0.569) 4.491 12.792 ( -0.546 -0.000 -0.040) 0.547 12.834 ( 1.160 0.000 -0.581) 1.297 13.520 ( -0.425 -0.000 1.089) 1.169 13.546 ( 0.366 0.000 0.323) 0.488 23.176 ( -0.161 -0.000 6.160) 6.162 23.500 ( -5.171 -0.000 -7.653) 9.236 24.410 ( -6.088 -0.000 9.689) 11.443 24.893 ( 7.233 0.000 -1.237) 7.338 ======================= Grid point 215 (107/160) ======================= q-point: (-0.33 -0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( -3.759 3.950 5.096) 7.464 1.270 ( -3.874 0.914 0.559) 4.019 1.719 ( -17.297 -2.482 0.915) 17.498 2.145 ( -10.708 -0.163 4.202) 11.504 2.418 ( -15.040 -4.507 10.466) 18.869 2.589 ( 0.130 -6.018 -11.237) 12.748 2.692 ( 10.589 -1.428 5.205) 11.885 2.878 ( 0.820 1.198 -0.566) 1.558 3.151 ( 5.638 -3.616 3.485) 7.551 3.300 ( -8.876 0.915 -15.326) 17.734 3.604 ( 4.678 5.985 9.010) 11.785 3.646 ( 3.452 5.554 -9.657) 11.663 3.677 ( -0.673 2.629 6.611) 7.146 3.831 ( -3.657 0.447 2.279) 4.332 3.959 ( 1.185 -0.491 -1.557) 2.017 4.051 ( 1.117 -2.665 -2.648) 3.920 4.194 ( 0.056 0.588 -3.076) 3.133 4.288 ( 0.856 -2.663 -3.103) 4.178 4.466 ( -4.635 -5.904 -1.077) 7.583 4.733 ( 0.132 -2.123 -2.390) 3.200 4.904 ( -0.859 0.148 2.837) 2.968 5.019 ( 5.287 0.931 -2.085) 5.759 5.721 ( 2.770 1.326 5.157) 6.002 5.823 ( -3.682 -1.014 -5.161) 6.420 6.176 ( 0.214 0.768 3.840) 3.922 6.282 ( -4.456 2.111 3.037) 5.791 6.404 ( 1.984 0.825 -0.585) 2.226 6.418 ( 2.392 0.610 3.519) 4.299 7.047 ( 2.756 0.317 -2.233) 3.561 7.086 ( 4.823 -1.823 -2.205) 5.608 8.066 ( 0.805 0.516 0.370) 1.025 8.106 ( -0.158 3.676 -1.740) 4.071 8.335 ( -0.903 -0.145 -0.874) 1.265 8.449 ( 5.580 0.356 0.217) 5.596 12.791 ( -0.662 -0.444 -0.214) 0.825 12.845 ( 0.819 -0.414 -0.607) 1.100 13.520 ( -0.442 0.071 0.997) 1.094 13.551 ( 0.338 0.022 0.242) 0.416 23.235 ( -0.768 -4.181 6.434) 7.712 23.411 ( -7.616 -1.128 -7.707) 10.894 24.399 ( -7.393 -1.131 8.216) 11.110 24.931 ( 5.511 1.853 -2.835) 6.469 ======================= Grid point 216 (108/160) ======================= q-point: (-0.22 -0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( -4.994 2.381 2.614) 6.119 1.261 ( -1.496 -1.793 2.517) 3.433 1.649 ( -15.773 -7.111 2.983) 17.558 2.068 ( -12.678 -2.387 4.219) 13.573 2.419 ( -14.343 -6.421 7.101) 17.244 2.642 ( 0.363 -3.008 -7.228) 7.837 2.738 ( 1.906 6.353 6.770) 9.478 2.894 ( 0.129 -6.432 -9.372) 11.368 3.156 ( -2.918 -0.348 -14.780) 15.070 3.303 ( 6.553 -3.632 2.302) 7.838 3.524 ( 2.020 5.671 -1.658) 6.244 3.632 ( 8.775 5.429 9.341) 13.918 3.680 ( -5.169 -3.249 -0.348) 6.115 3.749 ( -2.415 3.338 3.601) 5.472 4.004 ( 1.064 -3.094 0.594) 3.325 4.074 ( 0.776 -0.007 -1.135) 1.375 4.189 ( -0.013 -0.845 0.527) 0.996 4.314 ( -1.732 -2.622 -4.561) 5.538 4.550 ( -1.634 -5.989 0.487) 6.227 4.700 ( -3.448 2.222 1.905) 4.523 4.923 ( 0.593 -0.621 0.127) 0.868 5.086 ( 10.886 -0.684 -4.542) 11.816 5.680 ( -4.678 0.549 -3.095) 5.636 5.848 ( 3.074 -1.370 2.143) 3.990 6.151 ( -3.622 3.977 3.475) 6.404 6.215 ( -1.894 1.431 0.110) 2.376 6.401 ( 2.164 0.933 -2.198) 3.222 6.453 ( 3.938 2.193 5.794) 7.341 7.051 ( 2.060 0.458 -2.380) 3.181 7.166 ( 5.276 -2.047 0.249) 5.665 8.013 ( -1.903 3.858 -1.513) 4.560 8.073 ( 1.564 0.389 0.609) 1.723 8.321 ( -0.437 0.754 -1.452) 1.693 8.488 ( 4.932 1.294 -0.182) 5.102 12.788 ( -0.716 -0.164 -0.343) 0.810 12.855 ( 0.335 -0.400 -0.624) 0.814 13.518 ( -0.559 0.178 0.922) 1.093 13.554 ( 0.231 0.102 0.133) 0.285 23.317 ( -8.561 -2.226 -7.641) 11.689 23.373 ( 1.738 -7.087 6.489) 9.765 24.391 ( -7.400 -1.869 6.141) 9.796 24.900 ( 1.919 3.796 -4.760) 6.383 ======================= Grid point 217 (109/160) ======================= q-point: (-0.11 -0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( -1.076 -3.595 1.521) 4.049 1.314 ( 1.197 -2.210 3.172) 4.047 1.697 ( -12.594 -12.507 4.250) 18.251 2.050 ( -10.365 -6.402 4.195) 12.884 2.419 ( -9.055 -4.058 3.126) 10.404 2.582 ( -3.119 5.028 1.049) 6.009 2.686 ( 0.833 2.648 -0.344) 2.797 2.956 ( -0.768 -6.366 -10.378) 12.199 3.095 ( 2.741 1.968 -8.932) 9.548 3.399 ( 3.387 -1.492 0.168) 3.705 3.457 ( -4.403 0.881 -3.864) 5.924 3.565 ( -1.062 3.763 0.800) 3.991 3.730 ( 0.252 -2.168 5.079) 5.528 3.839 ( 9.297 -2.322 6.760) 11.727 4.035 ( -1.103 -0.213 1.981) 2.277 4.104 ( 1.194 -3.623 -2.364) 4.488 4.230 ( 1.939 -1.689 4.394) 5.091 4.295 ( -4.243 -1.619 -4.426) 6.342 4.542 ( -3.642 2.814 0.835) 4.678 4.716 ( 0.764 -2.652 2.735) 3.885 4.947 ( 0.346 -1.880 -0.049) 1.912 5.129 ( 9.823 5.050 -5.849) 12.498 5.635 ( -3.612 -2.035 -4.850) 6.380 5.914 ( 3.407 -1.091 2.934) 4.626 6.043 ( -5.008 3.419 1.328) 6.208 6.188 ( -0.877 1.244 0.519) 1.609 6.391 ( 1.675 1.082 -2.315) 3.055 6.460 ( 3.557 4.346 4.461) 7.172 7.049 ( 1.421 0.410 -2.068) 2.543 7.251 ( 3.500 -2.171 2.663) 4.904 7.947 ( -0.817 1.609 -0.853) 1.996 8.089 ( 1.849 0.162 0.912) 2.068 8.281 ( -1.055 1.987 -2.455) 3.330 8.494 ( 2.342 1.878 -0.197) 3.009 12.782 ( -0.394 -0.071 -0.277) 0.487 12.855 ( -0.125 0.130 -0.649) 0.673 13.514 ( -0.672 0.155 0.926) 1.155 13.553 ( 0.108 0.207 0.039) 0.236 23.240 ( -6.914 -1.785 -6.290) 9.516 23.571 ( 5.765 -7.672 5.762) 11.193 24.376 ( -6.238 -1.006 3.394) 7.173 24.807 ( -1.931 3.421 -5.366) 6.651 ======================= Grid point 224 (110/160) ======================= q-point: (-0.33 -0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.180 ( -5.583 -0.000 10.977) 12.315 1.214 ( -8.337 -0.000 -1.705) 8.510 1.543 ( -16.320 -0.000 3.165) 16.624 1.993 ( -18.877 -0.000 -6.729) 20.040 2.264 ( -17.941 -0.000 18.262) 25.601 2.551 ( 7.451 0.000 -4.582) 8.747 2.768 ( 5.221 0.000 -6.282) 8.168 2.893 ( 0.802 0.000 7.017) 7.063 3.119 ( -11.048 -0.000 -15.594) 19.111 3.218 ( 7.524 0.000 6.109) 9.692 3.588 ( -2.894 -0.000 -4.624) 5.455 3.753 ( 2.061 0.000 -4.823) 5.245 3.829 ( -1.011 -0.000 4.865) 4.969 3.840 ( 7.747 0.000 12.757) 14.926 3.959 ( -1.636 -0.000 -2.620) 3.089 4.000 ( 3.275 0.000 -4.561) 5.615 4.188 ( 0.650 0.000 -3.335) 3.398 4.265 ( 1.082 0.000 -1.854) 2.147 4.354 ( -5.180 -0.000 0.242) 5.185 4.697 ( -0.264 -0.000 -1.080) 1.112 4.889 ( -4.217 -0.000 2.408) 4.856 5.065 ( 6.383 0.000 -4.160) 7.619 5.717 ( -6.921 -0.000 -7.302) 10.061 5.813 ( 4.812 0.000 6.244) 7.883 6.204 ( 0.218 0.000 2.985) 2.993 6.282 ( -4.111 -0.000 3.276) 5.257 6.421 ( 2.254 0.000 -2.956) 3.717 6.473 ( 3.502 0.000 7.138) 7.951 7.073 ( 2.959 0.000 -3.184) 4.347 7.126 ( 8.700 0.000 0.400) 8.710 8.081 ( 1.366 0.000 0.195) 1.380 8.138 ( 0.211 0.000 -2.335) 2.344 8.315 ( -1.305 -0.000 -1.060) 1.681 8.502 ( 5.495 0.000 -0.940) 5.575 12.780 ( -0.445 -0.000 -0.253) 0.512 12.843 ( 0.415 0.000 -0.879) 0.972 13.522 ( -0.316 -0.000 0.912) 0.965 13.555 ( 0.320 0.000 0.124) 0.343 23.203 ( -3.776 -0.000 6.603) 7.607 23.288 ( -8.658 -0.000 -7.008) 11.138 24.346 ( -9.108 -0.000 6.945) 11.454 24.979 ( 4.784 0.000 -5.983) 7.661 ======================= Grid point 225 (111/160) ======================= q-point: (-0.22 -0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( -12.130 4.350 -0.723) 12.907 1.188 ( -10.548 -3.044 12.113) 16.348 1.452 ( -11.670 -2.187 5.362) 13.028 1.846 ( -18.837 -8.276 -5.157) 21.211 2.229 ( -13.972 -1.731 19.019) 23.663 2.620 ( 6.856 -0.643 -2.607) 7.363 2.750 ( -1.823 -2.972 -11.079) 11.615 2.931 ( 4.852 5.773 8.716) 11.525 2.975 ( -7.283 -3.408 -15.371) 17.347 3.329 ( 5.947 -2.298 3.385) 7.219 3.556 ( -5.695 -2.323 -2.493) 6.637 3.649 ( 2.259 7.433 -6.033) 9.836 3.789 ( -2.507 3.728 3.557) 5.731 3.912 ( 7.615 5.733 9.789) 13.663 3.972 ( 1.126 -1.940 -1.032) 2.469 4.031 ( -1.171 -2.522 -0.904) 2.924 4.172 ( -0.701 -0.287 -2.768) 2.870 4.266 ( -0.181 -0.387 -0.346) 0.550 4.419 ( -0.509 -8.458 2.100) 8.730 4.699 ( -2.552 0.113 0.890) 2.705 4.882 ( -2.886 -3.139 -0.028) 4.264 5.124 ( 9.172 -2.311 -6.484) 11.467 5.604 ( -7.099 0.575 -7.254) 10.166 5.893 ( 4.723 -0.393 5.275) 7.091 6.203 ( -2.421 2.749 3.088) 4.792 6.220 ( -3.399 2.118 0.418) 4.027 6.423 ( 2.339 0.519 -3.151) 3.958 6.553 ( 5.561 0.861 7.074) 9.040 7.084 ( 3.156 0.601 -0.791) 3.309 7.223 ( 9.419 0.293 2.329) 9.707 8.068 ( -0.957 4.799 -1.772) 5.205 8.099 ( 2.093 0.418 0.276) 2.152 8.313 ( -0.628 -0.834 -1.318) 1.682 8.540 ( 4.147 0.423 -1.987) 4.618 12.778 ( -0.259 -0.213 -0.350) 0.485 12.844 ( -0.005 -0.456 -1.003) 1.102 13.522 ( -0.354 0.250 0.816) 0.924 13.558 ( 0.229 0.069 -0.014) 0.240 23.172 ( -8.382 -1.133 -5.585) 10.136 23.270 ( -2.892 -7.613 5.337) 9.737 24.304 ( -9.361 -1.919 5.222) 10.889 24.939 ( 0.430 3.442 -9.857) 10.450 ======================= Grid point 226 (112/160) ======================= q-point: (-0.11 -0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( -4.849 -5.303 0.901) 7.242 1.256 ( -6.832 -7.137 14.617) 17.643 1.442 ( -9.717 -5.852 5.293) 12.517 1.826 ( -12.296 -8.441 -2.177) 15.073 2.241 ( -14.238 -5.896 15.940) 22.171 2.623 ( 0.276 2.847 -3.488) 4.511 2.753 ( 2.001 -2.836 -9.172) 9.807 2.872 ( 1.230 6.451 4.640) 8.041 2.976 ( -0.333 -8.562 -13.156) 15.700 3.400 ( -0.581 1.012 -2.546) 2.801 3.477 ( -1.208 2.857 1.034) 3.270 3.591 ( 2.177 0.155 -3.694) 4.291 3.761 ( -0.065 1.248 8.071) 8.168 3.957 ( 6.066 3.503 3.805) 7.972 4.010 ( 1.012 -3.161 1.095) 3.495 4.028 ( -3.703 -2.279 -0.685) 4.402 4.180 ( -1.447 -3.106 -1.927) 3.931 4.282 ( 0.907 -0.541 3.438) 3.596 4.535 ( -0.965 -1.750 -0.070) 1.999 4.673 ( -2.680 -1.783 2.712) 4.209 4.912 ( -0.584 -2.490 -2.079) 3.296 5.229 ( 9.960 -1.160 -7.832) 12.723 5.515 ( -5.519 -2.201 -7.107) 9.264 5.964 ( 4.408 -0.080 3.997) 5.951 6.075 ( -5.311 5.465 1.522) 7.771 6.196 ( -1.631 0.649 0.554) 1.841 6.416 ( 2.031 1.030 -2.858) 3.655 6.584 ( 3.192 3.772 2.702) 5.632 7.102 ( 4.545 2.448 2.144) 5.590 7.309 ( 7.633 1.156 4.856) 9.120 7.984 ( 0.459 3.240 -0.456) 3.304 8.119 ( 2.673 0.432 0.801) 2.824 8.293 ( -1.078 1.500 -2.193) 2.868 8.536 ( 1.029 1.737 -1.998) 2.840 12.777 ( -0.068 -0.049 -0.363) 0.372 12.845 ( -0.401 -0.422 -0.998) 1.155 13.516 ( -0.649 0.327 0.808) 1.087 13.557 ( 0.113 0.155 -0.111) 0.221 23.108 ( -6.040 -2.868 -4.835) 8.251 23.471 ( 3.319 -12.276 4.293) 13.422 24.286 ( -8.085 -3.189 3.013) 9.198 24.785 ( -7.196 3.721 -10.651) 13.381 ======================= Grid point 234 (113/160) ======================= q-point: (-0.22 -0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.921 ( -18.997 -0.000 0.316) 19.000 1.076 ( -20.128 -0.000 12.975) 23.948 1.393 ( -5.901 -0.000 6.128) 8.507 1.536 ( -22.477 -0.000 9.563) 24.427 2.256 ( -2.201 -0.000 14.905) 15.067 2.643 ( -2.092 -0.000 -12.169) 12.348 2.703 ( 9.772 0.000 0.559) 9.788 2.797 ( -6.263 -0.000 -15.357) 16.585 3.074 ( 3.559 0.000 8.749) 9.445 3.379 ( 4.723 0.000 3.808) 6.067 3.468 ( -5.772 -0.000 -3.226) 6.612 3.701 ( -0.439 -0.000 -7.855) 7.867 3.808 ( -3.779 -0.000 3.168) 4.931 3.923 ( -5.070 -0.000 0.413) 5.086 3.939 ( 2.088 0.000 -0.728) 2.211 4.141 ( -1.181 -0.000 -6.141) 6.254 4.168 ( 10.055 0.000 3.215) 10.556 4.269 ( -0.412 -0.000 3.523) 3.547 4.316 ( -1.489 -0.000 4.038) 4.303 4.675 ( -2.732 -0.000 0.789) 2.844 4.793 ( -7.774 -0.000 1.265) 7.876 5.142 ( 8.081 0.000 -9.342) 12.352 5.507 ( -5.994 -0.000 -6.948) 9.177 5.964 ( 4.878 0.000 5.235) 7.155 6.205 ( -2.069 -0.000 0.494) 2.127 6.216 ( -5.103 -0.000 1.294) 5.265 6.432 ( 2.422 0.000 -3.816) 4.520 6.641 ( 4.513 0.000 0.578) 4.550 7.149 ( 7.747 0.000 9.286) 12.093 7.355 ( 11.927 0.000 4.801) 12.857 8.108 ( -0.270 -0.000 -2.284) 2.299 8.127 ( 3.146 0.000 0.630) 3.209 8.277 ( -1.696 -0.000 -0.932) 1.935 8.563 ( 2.581 0.000 -3.262) 4.159 12.774 ( 0.118 0.000 -0.262) 0.287 12.834 ( -0.155 -0.000 -1.150) 1.160 13.527 ( -0.066 -0.000 0.609) 0.613 13.560 ( 0.161 0.000 -0.190) 0.249 23.065 ( -7.635 -0.000 -4.943) 9.096 23.163 ( -6.491 -0.000 5.153) 8.288 24.214 ( -10.018 -0.000 3.871) 10.740 24.892 ( -4.292 -0.000 -18.029) 18.533 ======================= Grid point 235 (114/160) ======================= q-point: (-0.11 -0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.771 ( -12.112 -5.737 6.991) 15.116 1.081 ( -15.453 -12.177 16.599) 25.741 1.361 ( -5.788 0.398 5.256) 7.829 1.534 ( -14.576 -10.140 16.824) 24.461 2.217 ( -7.689 6.397 9.120) 13.536 2.582 ( -0.640 -1.082 -12.499) 12.562 2.704 ( -3.038 -3.724 -12.829) 13.700 2.809 ( 9.343 -1.443 -1.409) 9.559 3.058 ( 0.169 7.756 6.615) 10.195 3.401 ( -2.561 0.709 -1.020) 2.847 3.467 ( 1.503 -3.044 3.508) 4.882 3.629 ( 2.606 3.111 -5.079) 6.501 3.797 ( -3.409 -0.462 6.886) 7.697 3.890 ( -5.878 -3.116 -3.889) 7.706 3.988 ( -0.557 -1.720 2.759) 3.299 4.096 ( 0.666 0.522 -5.345) 5.412 4.152 ( 4.311 4.213 3.759) 7.104 4.293 ( 0.125 -0.996 4.280) 4.396 4.466 ( 2.246 -7.130 1.099) 7.556 4.636 ( -5.419 0.266 -0.107) 5.426 4.792 ( -5.453 -7.385 -2.590) 9.538 5.192 ( 6.269 -4.115 -14.166) 16.029 5.442 ( -0.839 0.311 -2.390) 2.552 6.027 ( 3.921 0.617 3.795) 5.492 6.125 ( -4.793 4.614 0.824) 6.704 6.181 ( -3.162 0.011 0.322) 3.178 6.431 ( 1.992 0.446 -3.869) 4.375 6.618 ( -3.822 0.084 -7.417) 8.344 7.300 ( 15.859 6.570 16.162) 23.577 7.472 ( 11.157 2.675 7.366) 13.634 8.052 ( 1.029 3.778 -0.358) 3.932 8.162 ( 3.660 0.467 1.176) 3.873 8.276 ( -1.654 -0.907 -1.817) 2.619 8.549 ( -0.475 1.020 -3.197) 3.389 12.776 ( 0.376 -0.029 -0.239) 0.446 12.829 ( -0.271 -0.281 -1.050) 1.120 13.522 ( -0.453 0.613 0.523) 0.924 13.559 ( 0.067 0.073 -0.317) 0.332 22.993 ( -4.752 -1.959 -3.358) 6.140 23.267 ( -1.068 -14.581 2.292) 14.799 24.162 ( -9.044 -2.801 2.149) 9.709 24.667 ( -15.536 2.732 -19.739) 25.267 ======================= Grid point 244 (115/160) ======================= q-point: (-0.11 -0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.670 ( -10.084 -0.000 13.662) 16.980 0.842 ( -13.443 -0.000 19.784) 23.920 1.364 ( -4.300 -0.000 5.894) 7.296 1.466 ( -9.169 -0.000 36.978) 38.098 2.205 ( -13.564 -0.000 -9.545) 16.586 2.510 ( 3.171 0.000 -14.952) 15.285 2.574 ( -3.912 -0.000 -15.414) 15.902 2.928 ( 11.161 0.000 3.689) 11.755 3.159 ( -1.969 -0.000 5.946) 6.264 3.381 ( 2.257 0.000 3.082) 3.820 3.488 ( 3.048 0.000 2.754) 4.108 3.674 ( 4.177 0.000 -1.698) 4.509 3.742 ( -4.582 -0.000 -2.889) 5.416 3.789 ( -10.727 -0.000 4.992) 11.832 3.983 ( -1.712 -0.000 1.460) 2.250 4.090 ( 6.137 0.000 -4.706) 7.734 4.259 ( 3.166 0.000 -0.845) 3.276 4.321 ( -3.892 -0.000 6.160) 7.287 4.375 ( 4.294 0.000 2.727) 5.087 4.540 ( -10.885 -0.000 -4.031) 11.607 4.636 ( -8.773 -0.000 0.754) 8.805 5.127 ( 4.104 0.000 -17.843) 18.309 5.468 ( 5.191 0.000 2.786) 5.892 6.091 ( 3.684 0.000 3.602) 5.153 6.130 ( -4.497 -0.000 0.653) 4.544 6.137 ( -4.484 -0.000 -1.212) 4.645 6.436 ( 2.040 0.000 -4.157) 4.631 6.463 ( -13.932 -0.000 -10.446) 17.413 7.630 ( 8.662 0.000 8.402) 12.068 7.740 ( 33.788 0.000 16.992) 37.820 8.102 ( 1.297 0.000 -0.528) 1.401 8.212 ( 4.258 0.000 1.989) 4.700 8.230 ( -2.306 -0.000 -0.748) 2.424 8.529 ( -2.311 -0.000 -2.689) 3.546 12.780 ( 0.569 0.000 -0.017) 0.570 12.825 ( 0.390 0.000 -0.593) 0.710 13.527 ( -0.507 -0.000 -0.066) 0.511 13.558 ( -0.005 -0.000 -0.480) 0.480 22.929 ( -2.301 -0.000 -2.202) 3.185 23.067 ( -7.150 -0.000 2.364) 7.530 24.060 ( -8.179 -0.000 1.040) 8.245 24.369 ( -27.022 -0.000 -20.481) 33.906 ======================= Grid point 245 (116/160) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( 3.475 0.000 8.955) 9.605 1.191 ( 1.011 0.000 -0.888) 1.345 1.613 ( 0.036 0.000 16.735) 16.735 1.783 ( -13.775 -0.000 10.995) 17.625 1.999 ( -1.944 -0.000 -15.132) 15.256 2.151 ( 11.200 0.000 -17.880) 21.098 2.690 ( 11.404 0.000 34.554) 36.387 3.187 ( -7.901 -0.000 -0.111) 7.902 3.213 ( 9.429 0.000 0.221) 9.432 3.230 ( -11.724 -0.000 -17.779) 21.297 3.591 ( 9.007 0.000 3.529) 9.674 3.608 ( -2.527 -0.000 2.321) 3.431 3.698 ( -9.431 -0.000 -0.712) 9.458 3.712 ( 2.116 0.000 -3.111) 3.762 3.974 ( 0.657 0.000 4.818) 4.863 4.091 ( -7.503 -0.000 -6.084) 9.660 4.304 ( 12.691 0.000 -0.155) 12.692 4.332 ( 0.563 0.000 -3.978) 4.017 4.425 ( 0.743 0.000 2.148) 2.272 4.455 ( -10.272 -0.000 8.060) 13.056 4.477 ( -0.169 -0.000 -1.845) 1.852 4.668 ( 5.550 0.000 -13.637) 14.723 5.808 ( 8.311 0.000 7.200) 10.996 5.933 ( -8.299 -0.000 -5.369) 9.884 6.103 ( 0.511 0.000 1.093) 1.207 6.120 ( -4.117 -0.000 -0.674) 4.172 6.234 ( -0.526 -0.000 4.253) 4.285 6.329 ( 1.607 0.000 -5.195) 5.437 7.972 ( -1.658 -0.000 8.061) 8.230 8.100 ( -0.923 -0.000 -4.423) 4.518 8.156 ( 5.211 0.000 -0.741) 5.264 8.161 ( -2.840 -0.000 -0.679) 2.920 8.395 ( 3.413 0.000 4.163) 5.383 8.479 ( 0.118 0.000 -4.330) 4.332 12.800 ( 0.386 0.000 0.619) 0.730 12.814 ( -0.251 -0.000 -0.731) 0.773 13.519 ( -0.653 -0.000 0.826) 1.053 13.536 ( 0.143 0.000 -0.860) 0.872 22.949 ( 6.381 0.000 0.186) 6.384 22.953 ( -6.359 -0.000 -0.183) 6.362 23.928 ( 1.150 0.000 0.274) 1.183 23.936 ( -2.877 -0.000 -0.522) 2.924 ======================= Grid point 246 (117/160) ======================= q-point: ( 0.11 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( -2.220 -1.863 1.179) 3.129 1.233 ( 3.859 -4.841 -1.303) 6.327 1.769 ( 5.348 -5.887 19.029) 20.624 1.853 ( -3.697 -9.381 6.034) 11.751 1.952 ( 0.366 -3.463 -7.012) 7.830 2.246 ( 12.459 -6.185 -17.968) 22.723 2.959 ( 6.562 1.381 23.628) 24.561 3.023 ( -9.375 -2.378 -21.508) 23.582 3.101 ( -5.449 0.916 6.586) 8.597 3.239 ( 4.730 4.605 -1.946) 6.882 3.569 ( -1.704 0.207 0.546) 1.801 3.588 ( -0.798 3.190 -0.009) 3.288 3.680 ( -4.785 -0.246 -2.109) 5.235 3.783 ( 8.265 -3.303 4.150) 9.820 3.995 ( -5.019 -0.014 1.379) 5.205 4.033 ( 0.540 -1.280 3.603) 3.862 4.286 ( -4.254 0.657 -5.259) 6.796 4.396 ( 1.112 -3.012 -1.634) 3.603 4.438 ( 4.093 -0.451 2.197) 4.667 4.489 ( 3.352 -2.352 -3.747) 5.550 4.505 ( -0.943 -2.209 4.984) 5.533 4.734 ( 9.706 -6.407 -9.211) 14.836 5.815 ( -9.485 0.146 -4.839) 10.649 5.912 ( 6.014 0.125 5.510) 8.157 6.084 ( -1.986 1.171 -0.275) 2.322 6.127 ( 3.913 0.000 3.502) 5.251 6.261 ( -0.877 -1.038 4.048) 4.270 6.328 ( 1.513 -0.919 -5.126) 5.423 7.877 ( -9.660 8.886 5.058) 14.067 7.974 ( -5.241 8.310 -3.654) 10.482 8.118 ( -1.688 2.005 -1.078) 2.834 8.154 ( 3.350 3.440 1.361) 4.991 8.401 ( -2.938 2.508 -2.166) 4.429 8.446 ( 2.298 0.783 -0.583) 2.497 12.796 ( -0.614 0.659 -0.058) 0.902 12.805 ( 0.135 0.277 -0.134) 0.336 13.519 ( -0.492 -0.073 1.136) 1.240 13.534 ( 0.145 -0.045 -0.678) 0.695 22.984 ( -5.076 -8.611 -2.992) 10.434 23.094 ( 9.225 -7.583 2.372) 12.174 23.974 ( 1.117 -4.824 0.299) 4.960 24.033 ( 8.703 -6.270 0.436) 10.735 ======================= Grid point 247 (118/160) ======================= q-point: ( 0.22 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( -4.691 -2.293 -2.194) 5.663 1.360 ( 4.703 -2.626 3.757) 6.568 1.951 ( 3.629 -7.973 -15.554) 17.852 2.034 ( 3.729 -9.080 13.503) 16.694 2.148 ( 4.484 -9.660 15.859) 19.103 2.318 ( 3.489 -3.309 -19.790) 20.366 2.861 ( -9.884 5.459 1.695) 11.418 2.967 ( -2.377 -9.865 -18.415) 21.025 3.139 ( 1.436 6.539 0.136) 6.696 3.214 ( 0.149 2.723 9.130) 9.529 3.532 ( 1.031 1.741 -1.342) 2.428 3.607 ( -5.666 0.902 -0.645) 5.774 3.632 ( 3.311 -2.889 9.133) 10.135 3.890 ( 3.626 -0.382 0.124) 3.648 4.006 ( 2.554 -1.341 4.511) 5.355 4.086 ( 1.358 -0.789 5.477) 5.697 4.215 ( -2.559 -0.134 -3.830) 4.608 4.450 ( 1.191 -1.253 0.537) 1.810 4.493 ( 0.265 -3.274 -6.317) 7.120 4.507 ( 4.810 -0.336 -1.761) 5.133 4.602 ( 0.952 -4.178 7.928) 9.012 4.910 ( 8.669 -6.526 -6.385) 12.590 5.703 ( -9.179 -0.677 -5.467) 10.705 5.975 ( 3.785 0.793 4.260) 5.754 6.045 ( -0.773 1.182 -0.708) 1.580 6.213 ( 6.206 -1.052 5.853) 8.596 6.278 ( -1.696 0.440 4.335) 4.676 6.330 ( 1.270 -0.530 -4.893) 5.083 7.578 ( -12.279 13.073 -1.023) 17.965 7.739 ( -5.830 10.698 -0.909) 12.217 8.051 ( -2.200 2.959 -0.978) 3.815 8.137 ( 2.537 2.915 2.078) 4.388 8.303 ( -4.584 2.044 -3.862) 6.333 8.454 ( 2.137 1.074 0.729) 2.500 12.781 ( -0.482 0.249 -0.305) 0.623 12.806 ( 0.488 -0.104 0.062) 0.503 13.523 ( -0.369 -0.167 1.212) 1.277 13.534 ( 0.150 -0.131 -0.510) 0.548 23.067 ( -4.495 -8.305 -4.558) 10.486 23.368 ( 9.609 -10.247 5.738) 15.175 24.096 ( 2.487 -6.633 0.422) 7.096 24.270 ( 10.642 -9.308 0.154) 14.139 ======================= Grid point 248 (119/160) ======================= q-point: ( 0.33 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( -3.733 -2.277 -2.107) 4.854 1.406 ( 1.279 2.710 3.467) 4.583 2.061 ( 4.783 -5.296 -9.364) 11.773 2.258 ( -0.210 -6.115 -14.469) 15.710 2.269 ( 1.782 -6.173 4.590) 7.896 2.407 ( 4.977 -3.670 11.949) 13.454 2.737 ( -7.183 -0.847 3.469) 8.022 2.991 ( -2.227 5.339 -5.923) 8.279 3.051 ( -3.859 -3.155 -9.779) 10.977 3.145 ( 0.352 1.969 -0.897) 2.192 3.476 ( -3.541 2.281 -0.824) 4.292 3.583 ( -1.006 -0.695 3.350) 3.566 3.762 ( 2.973 -1.661 6.552) 7.384 3.922 ( 1.380 -2.413 -1.261) 3.052 4.049 ( 1.130 0.861 2.764) 3.108 4.173 ( 1.082 -2.744 4.258) 5.180 4.215 ( 4.657 -0.304 0.202) 4.671 4.448 ( 0.929 2.450 -1.872) 3.220 4.515 ( 2.380 -3.945 -7.271) 8.608 4.567 ( 2.291 -0.716 1.948) 3.091 4.735 ( 3.391 -4.421 8.214) 9.926 5.022 ( 4.145 -1.922 -2.266) 5.100 5.613 ( -7.173 -1.247 -5.761) 9.284 6.000 ( 1.161 0.729 1.915) 2.355 6.033 ( 0.992 0.375 -0.156) 1.072 6.250 ( -2.245 2.769 4.022) 5.374 6.311 ( 3.457 -0.726 1.256) 3.749 6.329 ( 2.475 -0.360 0.592) 2.570 7.261 ( -9.417 9.748 -3.094) 13.902 7.526 ( -4.406 7.650 -0.642) 8.851 7.977 ( -2.274 2.401 -0.911) 3.430 8.126 ( 2.097 2.132 2.020) 3.609 8.220 ( -3.621 0.892 -3.196) 4.911 8.460 ( 1.392 0.650 0.782) 1.723 12.778 ( -0.014 -0.266 -0.279) 0.386 12.817 ( 0.589 -0.505 0.150) 0.791 13.528 ( -0.360 -0.118 1.056) 1.122 13.537 ( 0.178 -0.245 -0.335) 0.452 23.126 ( -3.346 -5.495 -4.110) 7.634 23.635 ( 7.840 -7.067 6.560) 12.428 24.224 ( 1.192 -5.809 -0.196) 5.934 24.512 ( 8.070 -7.785 0.276) 11.216 ======================= Grid point 249 (120/160) ======================= q-point: ( 0.44 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.124 ( -1.327 -0.354 -1.191) 1.818 1.368 ( -0.296 2.017 1.025) 2.282 2.046 ( -2.347 2.868 -3.364) 5.005 2.304 ( 0.350 -4.098 -8.000) 8.996 2.401 ( 2.205 -2.776 6.285) 7.216 2.527 ( 0.973 -3.426 3.943) 5.313 2.700 ( 3.534 7.948 1.388) 8.809 2.905 ( -5.175 -0.373 3.194) 6.093 2.939 ( -4.894 -1.044 -6.271) 8.023 3.180 ( -0.956 -3.986 -7.109) 8.206 3.424 ( -0.810 0.310 -0.980) 1.309 3.602 ( -0.518 -0.070 3.103) 3.146 3.830 ( 3.560 -1.130 3.494) 5.115 3.964 ( 0.038 0.380 1.323) 1.377 4.044 ( 0.881 0.467 -1.980) 2.217 4.182 ( -2.908 -0.867 -1.396) 3.341 4.282 ( 1.807 -0.093 2.164) 2.821 4.401 ( 2.350 3.162 -0.052) 3.940 4.567 ( 4.555 0.888 -2.783) 5.412 4.602 ( -0.725 -3.341 -0.240) 3.427 4.884 ( 3.080 -4.536 5.046) 7.451 5.050 ( 2.635 0.864 0.935) 2.926 5.552 ( -4.360 -1.062 -5.127) 6.814 6.005 ( 0.573 0.320 0.863) 1.084 6.031 ( 0.304 0.864 0.606) 1.098 6.204 ( -2.025 1.641 3.062) 4.021 6.310 ( 0.992 -0.148 -3.408) 3.552 6.398 ( 2.515 -1.282 3.668) 4.628 7.063 ( -4.132 4.058 -2.457) 6.291 7.402 ( -1.606 3.423 0.253) 3.789 7.927 ( -1.144 0.971 -0.594) 1.613 8.123 ( 1.550 1.247 1.271) 2.361 8.177 ( -2.203 -0.540 -2.045) 3.054 8.467 ( 0.605 -0.007 0.452) 0.755 12.782 ( 0.206 -0.149 -0.154) 0.297 12.831 ( 0.235 -0.446 -0.009) 0.504 13.530 ( -0.410 0.013 0.856) 0.950 13.541 ( 0.196 -0.270 -0.274) 0.432 23.147 ( -2.037 -2.087 -2.783) 4.031 23.803 ( 5.493 -1.753 4.664) 7.416 24.301 ( -1.302 -3.458 -1.022) 3.834 24.665 ( 3.245 -3.422 -0.096) 4.717 ======================= Grid point 250 (121/160) ======================= q-point: (-0.44 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( 1.603 1.656 0.100) 2.307 1.372 ( 0.082 -2.283 0.703) 2.390 1.953 ( -2.689 5.610 5.931) 8.596 2.186 ( -6.395 11.044 3.110) 13.135 2.486 ( 0.778 -2.397 -0.806) 2.645 2.593 ( 3.874 4.787 0.354) 6.168 2.654 ( 1.260 -5.238 1.855) 5.698 2.861 ( -4.761 -0.205 3.132) 5.702 2.956 ( 2.206 -0.044 -4.094) 4.651 3.168 ( -3.339 -1.559 -5.049) 6.251 3.438 ( 2.477 -1.346 -1.975) 3.442 3.616 ( 1.105 -0.083 1.632) 1.973 3.868 ( -2.264 1.406 -1.566) 3.091 3.921 ( -0.912 1.774 6.208) 6.521 4.060 ( 3.188 -1.147 -3.302) 4.731 4.157 ( -1.019 1.378 1.128) 2.052 4.273 ( 0.618 2.186 0.265) 2.288 4.402 ( 1.081 0.075 2.430) 2.661 4.542 ( 0.836 3.517 -0.549) 3.656 4.639 ( -3.110 -3.229 -3.225) 5.522 4.940 ( -0.747 0.316 -1.286) 1.521 5.089 ( 2.427 -1.666 -0.945) 3.092 5.506 ( -1.005 1.300 -1.866) 2.487 6.009 ( 0.032 0.021 0.439) 0.441 6.023 ( -0.093 0.318 1.681) 1.714 6.197 ( -1.145 -0.675 2.859) 3.153 6.316 ( 1.496 -1.100 -3.242) 3.737 6.447 ( -0.485 -2.314 -0.852) 2.513 7.030 ( 2.260 -1.888 0.577) 3.001 7.382 ( 1.716 -0.390 2.162) 2.788 7.921 ( 0.803 -0.735 -0.020) 1.089 8.129 ( 1.290 0.037 0.700) 1.468 8.170 ( -1.376 -1.495 -1.441) 2.491 8.474 ( -0.280 -0.533 -0.269) 0.659 12.782 ( 0.172 0.372 -0.085) 0.419 12.834 ( -0.302 -0.091 -0.370) 0.486 13.529 ( -0.478 0.119 0.753) 0.900 13.546 ( 0.192 -0.180 -0.424) 0.500 23.131 ( -0.723 1.285 -1.107) 1.844 23.841 ( 3.082 3.946 1.189) 5.146 24.304 ( -3.881 -0.622 -1.550) 4.225 24.678 ( -2.519 1.986 -1.348) 3.480 ======================= Grid point 251 (122/160) ======================= q-point: (-0.33 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( 4.525 3.780 1.317) 6.042 1.434 ( -2.374 -4.038 1.514) 4.923 1.874 ( -0.492 9.406 18.266) 20.551 1.926 ( -7.413 11.609 4.069) 14.363 2.446 ( -3.255 3.220 -7.002) 8.366 2.574 ( 4.087 0.243 -3.171) 5.178 2.716 ( -4.836 8.632 12.740) 16.131 2.838 ( 2.455 -1.560 -4.342) 5.226 2.935 ( 0.298 -0.019 2.267) 2.287 3.187 ( 0.217 -6.129 -3.134) 6.887 3.488 ( 3.197 -2.236 -1.192) 4.080 3.627 ( 2.620 1.704 -0.750) 3.214 3.827 ( -3.585 -2.459 -0.414) 4.367 3.902 ( -1.095 2.702 0.250) 2.926 4.083 ( 0.779 0.971 1.134) 1.684 4.133 ( 1.400 1.961 1.116) 2.655 4.239 ( 1.974 3.827 1.839) 4.683 4.419 ( -1.909 -1.067 1.271) 2.529 4.477 ( -2.599 1.683 -1.315) 3.364 4.613 ( -5.035 -0.347 -3.305) 6.033 4.884 ( -1.659 2.578 -4.712) 5.622 5.071 ( -2.549 2.004 -8.383) 8.988 5.499 ( 4.760 1.684 4.712) 6.906 6.009 ( -0.839 -0.511 0.822) 1.281 6.040 ( 0.202 -1.271 -0.306) 1.323 6.219 ( -1.287 -0.782 4.024) 4.297 6.338 ( 1.932 -1.108 -3.428) 4.088 6.447 ( -4.099 -1.991 -6.110) 7.623 7.178 ( 7.899 -8.348 4.909) 12.497 7.475 ( 5.405 -4.758 4.326) 8.400 7.964 ( 2.488 -2.215 0.431) 3.359 8.154 ( 0.084 -1.747 -0.098) 1.752 8.184 ( 0.467 -1.483 -0.346) 1.593 8.476 ( -1.103 -0.866 -0.929) 1.682 12.775 ( 0.258 0.398 -0.061) 0.478 12.825 ( -0.628 0.321 -0.608) 0.931 13.525 ( -0.515 0.107 0.682) 0.861 13.547 ( 0.158 -0.049 -0.653) 0.674 23.081 ( 0.603 4.166 0.430) 4.231 23.738 ( 0.482 9.723 -3.136) 10.228 24.235 ( -6.230 2.027 -1.705) 6.770 24.543 ( -7.825 6.555 -2.821) 10.591 ======================= Grid point 252 (123/160) ======================= q-point: (-0.22 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( 6.582 5.191 3.692) 9.160 1.408 ( -8.046 3.670 1.138) 8.916 1.646 ( -6.447 12.671 14.896) 20.591 1.931 ( 1.693 -0.261 16.268) 16.358 2.295 ( -2.475 4.882 -12.460) 13.610 2.470 ( -0.664 9.212 -15.020) 17.632 2.540 ( -7.334 13.088 23.225) 27.649 2.882 ( 10.287 -2.815 -0.726) 10.690 3.059 ( -2.266 -8.540 5.738) 10.536 3.310 ( 1.944 -6.923 -0.704) 7.225 3.548 ( 1.485 -1.854 -2.064) 3.147 3.612 ( 4.233 2.604 -0.061) 4.970 3.782 ( -4.447 4.293 -5.886) 8.535 3.865 ( -3.882 -2.211 1.937) 4.869 4.047 ( -2.399 3.027 1.568) 4.168 4.127 ( 2.382 2.026 2.105) 3.769 4.211 ( 4.004 1.436 -2.956) 5.181 4.403 ( -5.624 -0.796 -0.755) 5.730 4.451 ( -0.480 -0.005 2.359) 2.407 4.532 ( -4.706 2.152 -2.748) 5.859 4.785 ( -3.033 3.265 -6.439) 7.831 4.903 ( -2.841 8.220 -9.978) 13.236 5.576 ( 8.012 0.499 6.827) 10.539 6.027 ( -0.625 -2.031 1.046) 2.368 6.050 ( -1.607 -1.376 -3.006) 3.676 6.231 ( -1.526 0.342 4.827) 5.074 6.324 ( -3.629 1.008 -5.211) 6.430 6.387 ( -2.459 -0.093 -6.662) 7.102 7.500 ( 11.576 -14.256 6.848) 19.600 7.679 ( 7.925 -8.487 5.194) 12.721 8.038 ( 2.803 -2.848 0.447) 4.021 8.174 ( -2.751 -2.653 -1.747) 4.202 8.239 ( 4.463 -1.445 2.454) 5.294 8.474 ( -1.579 -1.058 -1.175) 2.235 12.777 ( 0.586 -0.152 0.065) 0.609 12.811 ( -0.456 0.174 -0.501) 0.699 13.523 ( -0.547 -0.024 0.619) 0.827 13.544 ( 0.125 0.038 -0.861) 0.870 23.011 ( 2.025 5.862 1.258) 6.328 23.491 ( -3.402 14.759 -6.491) 16.479 24.110 ( -7.500 3.665 -1.346) 8.456 24.303 ( -10.540 8.805 -3.111) 14.082 ======================= Grid point 253 (124/160) ======================= q-point: (-0.11 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( 5.210 6.871 7.114) 11.179 1.229 ( -4.855 6.123 4.121) 8.834 1.564 ( -3.498 2.540 16.439) 16.998 1.951 ( -12.067 3.990 9.348) 15.777 2.122 ( -2.954 2.981 -16.184) 16.719 2.233 ( 5.039 8.382 -16.863) 19.494 2.479 ( 4.020 6.131 32.742) 33.553 3.062 ( 10.217 -5.015 0.800) 11.409 3.181 ( -4.632 -6.217 3.764) 8.618 3.399 ( -2.515 -2.350 -8.635) 9.296 3.511 ( -0.436 1.621 -0.872) 1.891 3.640 ( 2.943 2.861 1.665) 4.429 3.666 ( -0.102 -1.227 -3.044) 3.283 3.827 ( -8.697 1.184 0.324) 8.783 3.980 ( -1.194 2.393 1.670) 3.153 4.144 ( -0.217 -2.118 -2.347) 3.169 4.227 ( 6.860 1.859 -3.799) 8.059 4.353 ( -0.804 1.907 2.032) 2.901 4.444 ( -3.899 1.455 -1.871) 4.563 4.465 ( -0.329 0.289 3.295) 3.324 4.619 ( -9.386 7.146 0.471) 11.806 4.729 ( 3.184 3.510 -15.177) 15.900 5.688 ( 8.928 0.106 7.229) 11.488 6.018 ( -4.857 -0.551 -4.546) 6.675 6.071 ( -0.307 -2.677 0.900) 2.841 6.204 ( -7.667 1.603 -4.480) 9.024 6.230 ( -1.197 0.892 4.762) 4.990 6.351 ( 1.399 1.075 -4.922) 5.228 7.844 ( 5.570 -8.659 7.582) 12.786 7.954 ( 11.209 -11.143 -0.391) 15.810 8.104 ( 1.470 -2.037 0.256) 2.525 8.177 ( -3.122 -1.871 -1.184) 3.827 8.327 ( 5.258 -1.056 3.585) 6.451 8.475 ( -0.810 -1.390 -1.590) 2.262 12.789 ( 0.657 -0.320 0.381) 0.824 12.810 ( 0.059 -0.569 -0.468) 0.739 13.521 ( -0.628 -0.086 0.598) 0.871 13.540 ( 0.123 0.044 -0.948) 0.957 22.948 ( 3.785 5.003 0.893) 6.337 23.153 ( -7.489 13.430 -3.910) 15.866 23.980 ( -5.500 2.890 -0.575) 6.240 24.057 ( -8.179 6.884 -1.796) 10.841 ======================= Grid point 255 (125/160) ======================= q-point: ( 0.11 0.11 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( -1.835 -0.000 -8.148) 8.352 1.209 ( 4.327 0.000 4.547) 6.277 1.815 ( 6.402 0.000 -5.105) 8.188 1.878 ( 7.913 0.000 17.914) 19.584 1.908 ( 2.078 0.000 6.197) 6.536 2.230 ( 11.332 0.000 -17.019) 20.446 2.804 ( -4.938 -0.000 -22.481) 23.017 3.010 ( -12.222 -0.000 -0.474) 12.231 3.216 ( 10.230 0.000 25.249) 27.243 3.339 ( 4.432 0.000 -1.566) 4.700 3.493 ( -4.394 -0.000 -3.076) 5.363 3.618 ( -3.574 -0.000 2.692) 4.475 3.636 ( -2.250 -0.000 -4.252) 4.811 3.852 ( 8.445 0.000 4.828) 9.727 3.935 ( -6.705 -0.000 1.157) 6.804 4.067 ( 0.653 0.000 6.341) 6.374 4.219 ( -0.928 -0.000 -11.302) 11.340 4.343 ( 0.838 0.000 3.594) 3.690 4.492 ( 2.212 0.000 0.351) 2.240 4.508 ( 1.226 0.000 0.730) 1.427 4.554 ( 10.367 0.000 1.859) 10.532 4.727 ( 10.127 0.000 -6.461) 12.012 5.687 ( -10.848 -0.000 -5.920) 12.359 5.994 ( 4.188 0.000 5.386) 6.822 6.106 ( 1.339 0.000 1.572) 2.065 6.179 ( 4.195 0.000 4.011) 5.804 6.258 ( -1.386 -0.000 3.726) 3.975 6.315 ( 2.754 0.000 -4.478) 5.257 7.860 ( -15.907 -0.000 4.205) 16.454 7.930 ( -11.227 -0.000 -4.406) 12.060 8.117 ( -1.691 -0.000 -0.793) 1.868 8.219 ( 2.025 0.000 0.121) 2.029 8.372 ( -4.446 -0.000 -7.013) 8.303 8.464 ( 0.695 0.000 2.228) 2.334 12.795 ( -0.740 -0.000 -0.729) 1.039 12.805 ( -0.397 -0.000 0.453) 0.602 13.520 ( -0.397 -0.000 1.297) 1.357 13.532 ( 0.136 0.000 -0.427) 0.448 22.881 ( -0.876 -0.000 0.127) 0.886 23.123 ( 11.084 0.000 -0.232) 11.086 23.989 ( 6.940 0.000 3.909) 7.965 24.076 ( 12.074 0.000 -0.767) 12.098 ======================= Grid point 256 (126/160) ======================= q-point: ( 0.22 0.11 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( -1.496 -0.316 -5.561) 5.767 1.349 ( 5.759 -6.428 5.051) 10.000 1.827 ( 7.184 -2.581 -15.589) 17.357 2.054 ( 7.229 -3.579 14.933) 16.972 2.124 ( 7.466 -7.872 14.577) 18.172 2.205 ( 0.537 -0.649 -19.770) 19.788 2.764 ( 7.694 -5.378 -17.016) 19.434 2.840 ( -13.519 4.214 -0.781) 14.182 3.280 ( 2.174 6.863 -2.069) 7.490 3.349 ( 2.427 5.498 12.696) 14.047 3.510 ( -2.704 -3.895 -0.673) 4.789 3.562 ( -3.675 2.519 -4.170) 6.102 3.643 ( 1.777 -3.808 6.524) 7.760 3.864 ( -4.054 -0.186 1.826) 4.450 3.999 ( 0.583 -4.918 3.271) 5.935 4.095 ( -0.422 -1.366 2.261) 2.675 4.174 ( 1.543 -1.149 -9.006) 9.209 4.453 ( 9.763 -1.363 5.351) 11.216 4.471 ( 0.714 1.073 -0.247) 1.312 4.551 ( 1.772 -1.182 1.792) 2.784 4.649 ( 7.857 0.324 3.179) 8.482 4.847 ( 8.494 -5.543 -5.279) 11.434 5.565 ( -10.103 -1.148 -5.724) 11.668 6.036 ( 1.664 0.969 3.422) 3.927 6.096 ( 2.508 3.293 1.071) 4.276 6.253 ( 1.135 -1.228 3.661) 4.025 6.281 ( 0.593 -2.289 1.909) 3.039 6.333 ( 4.238 0.501 0.738) 4.330 7.624 ( -17.348 8.556 -0.773) 19.359 7.754 ( -13.156 3.908 -4.180) 14.347 8.074 ( -2.037 2.393 -1.055) 3.315 8.215 ( 0.824 1.846 0.706) 2.141 8.275 ( -3.757 2.260 -4.401) 6.212 8.477 ( 0.031 0.049 1.064) 1.065 12.781 ( -0.374 0.390 -0.461) 0.710 12.806 ( -0.084 -0.241 0.182) 0.313 13.524 ( -0.312 -0.079 1.332) 1.371 13.532 ( 0.127 -0.024 -0.255) 0.286 22.926 ( 0.761 -4.367 -0.330) 4.445 23.308 ( 10.617 -8.563 0.466) 13.648 24.103 ( 8.507 -1.021 5.663) 10.271 24.250 ( 12.587 -6.033 -0.172) 13.959 ======================= Grid point 257 (127/160) ======================= q-point: ( 0.33 0.11 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( -1.316 -1.808 -3.723) 4.343 1.478 ( 1.254 1.278 6.447) 6.691 1.952 ( 11.278 -10.205 -12.443) 19.651 2.079 ( -0.987 -1.851 -21.008) 21.112 2.271 ( 7.538 -4.797 12.275) 15.182 2.415 ( 4.686 -7.310 11.155) 14.135 2.643 ( -11.347 1.464 -0.466) 11.450 2.888 ( 7.799 -5.678 -11.160) 14.752 3.153 ( 2.242 9.084 -4.704) 10.473 3.257 ( -0.449 9.234 5.521) 10.768 3.435 ( -9.267 0.913 -0.812) 9.348 3.551 ( -1.883 -2.206 0.173) 2.906 3.779 ( 2.072 -3.202 8.263) 9.100 3.868 ( -0.859 -2.668 -1.361) 3.115 4.060 ( -1.657 -2.771 3.239) 4.573 4.124 ( 0.667 -1.247 -3.452) 3.731 4.207 ( 1.909 -3.618 -5.280) 6.679 4.455 ( 1.170 -1.142 -3.213) 3.605 4.531 ( 3.980 3.312 -0.133) 5.180 4.644 ( 8.557 -0.388 5.383) 10.116 4.755 ( 5.421 -2.439 8.509) 10.380 4.978 ( 3.312 -5.039 -2.524) 6.537 5.484 ( -7.202 -2.321 -5.025) 9.083 6.033 ( 0.390 1.352 0.969) 1.709 6.076 ( 2.605 2.611 0.653) 3.746 6.268 ( -2.436 0.241 3.674) 4.415 6.308 ( 1.445 -0.276 -4.203) 4.453 6.398 ( 3.800 0.425 7.860) 8.741 7.304 ( -12.808 9.192 -3.506) 16.150 7.542 ( -10.682 4.121 -4.172) 12.186 8.000 ( -1.647 3.109 -1.029) 3.666 8.177 ( -2.975 0.927 -2.127) 3.772 8.210 ( 1.052 2.836 1.262) 3.278 8.476 ( -0.471 0.255 0.841) 0.997 12.775 ( 0.357 -0.024 -0.395) 0.533 12.815 ( 0.380 -0.529 0.324) 0.728 13.529 ( -0.283 -0.061 1.123) 1.160 13.534 ( 0.154 -0.138 -0.093) 0.227 23.015 ( 1.383 -4.688 -0.543) 4.918 23.566 ( 7.074 -10.408 0.361) 12.589 24.222 ( 6.760 -0.845 5.535) 8.778 24.476 ( 9.732 -6.770 1.087) 11.905 ======================= Grid point 258 (128/160) ======================= q-point: ( 0.44 0.11 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( -0.070 -3.099 -2.238) 3.823 1.415 ( -3.509 4.906 2.219) 6.427 2.057 ( 5.247 -1.102 -9.627) 11.020 2.186 ( 10.418 -8.332 -8.379) 15.753 2.435 ( -1.429 -2.494 4.655) 5.471 2.465 ( 0.671 -1.991 3.460) 4.048 2.732 ( -0.384 -9.370 7.526) 12.024 2.893 ( 0.755 5.828 -8.223) 10.107 2.996 ( 1.636 8.012 -0.808) 8.217 3.163 ( 2.175 3.756 3.329) 5.470 3.366 ( -6.740 -2.212 -0.089) 7.094 3.564 ( -3.937 -2.353 0.968) 4.687 3.850 ( 0.224 -0.813 4.544) 4.622 3.923 ( 1.823 -4.163 -2.724) 5.298 4.080 ( -0.389 2.814 -2.361) 3.694 4.136 ( 0.498 -3.382 0.486) 3.453 4.250 ( -0.053 -3.113 -3.987) 5.058 4.473 ( 0.322 0.691 -5.369) 5.423 4.508 ( 2.695 0.284 0.694) 2.797 4.704 ( 5.750 3.185 1.862) 6.832 4.875 ( 2.195 -2.112 4.958) 5.819 5.051 ( -1.017 -2.397 1.384) 2.949 5.466 ( -1.898 -2.939 -1.823) 3.945 6.019 ( -0.104 0.546 -0.413) 0.693 6.060 ( 2.059 1.925 -0.114) 2.821 6.238 ( -2.172 2.299 3.195) 4.496 6.301 ( 0.819 0.049 -2.960) 3.072 6.436 ( 0.330 1.272 5.106) 5.272 7.077 ( -5.761 4.592 -2.850) 7.900 7.398 ( -6.062 1.103 -2.946) 6.830 7.941 ( -0.375 2.019 -0.482) 2.109 8.131 ( -2.313 0.113 -1.865) 2.974 8.189 ( 1.385 2.324 2.216) 3.497 8.469 ( -0.987 0.117 0.625) 1.174 12.783 ( 0.920 -0.250 -0.414) 1.040 12.829 ( 0.242 -0.304 0.447) 0.592 13.531 ( -0.291 0.028 0.869) 0.916 13.538 ( 0.165 -0.210 -0.017) 0.268 23.096 ( 2.036 -2.966 0.284) 3.609 23.764 ( 2.840 -7.516 -2.271) 8.350 24.305 ( 4.312 0.671 5.405) 6.946 24.645 ( 4.926 -3.780 0.841) 6.266 ======================= Grid point 259 (129/160) ======================= q-point: (-0.44 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.117 ( 1.604 -2.231 -0.894) 2.889 1.340 ( -3.212 0.054 0.422) 3.240 2.060 ( 4.881 3.814 2.461) 6.665 2.320 ( 3.735 2.924 1.152) 4.881 2.466 ( 0.704 -1.347 -2.676) 3.078 2.519 ( -1.052 -5.694 0.154) 5.792 2.721 ( 1.273 7.488 -7.747) 10.849 2.901 ( 0.221 -6.605 3.166) 7.327 2.936 ( 3.756 4.073 7.080) 8.991 3.163 ( 1.696 2.622 4.953) 5.855 3.376 ( -2.684 -4.462 -1.731) 5.487 3.572 ( -3.995 -3.101 0.445) 5.077 3.855 ( -3.220 1.031 -2.048) 3.953 3.966 ( -0.841 0.647 2.648) 2.853 4.034 ( 2.199 -1.676 -4.266) 5.084 4.194 ( 2.899 0.136 2.087) 3.575 4.277 ( -0.125 -1.966 -0.884) 2.159 4.410 ( -1.946 1.819 -5.143) 5.792 4.535 ( 0.752 -0.858 -3.819) 3.986 4.678 ( 2.637 5.405 2.794) 6.632 4.918 ( -1.634 -1.287 1.364) 2.487 5.045 ( -3.963 -0.914 -4.447) 6.027 5.518 ( 2.952 -1.465 3.504) 4.810 6.008 ( -0.923 -0.388 -1.486) 1.792 6.048 ( 1.557 1.872 0.644) 2.518 6.207 ( -0.871 1.080 3.351) 3.627 6.298 ( 0.933 -0.489 -2.765) 2.959 6.418 ( -2.892 0.918 0.350) 3.054 7.022 ( 1.323 -1.244 0.137) 1.821 7.358 ( -2.470 -2.283 -1.056) 3.525 7.926 ( 1.301 0.188 0.208) 1.331 8.109 ( -1.765 -0.623 -1.321) 2.291 8.182 ( 1.717 1.261 2.028) 2.941 8.459 ( -1.671 -0.151 -0.061) 1.679 12.792 ( 1.011 0.204 -0.387) 1.102 12.832 ( -0.279 0.147 0.225) 0.387 13.531 ( -0.385 0.155 0.846) 0.942 13.543 ( 0.197 -0.165 -0.242) 0.353 23.153 ( 2.985 -0.228 1.811) 3.499 23.842 ( -1.086 -3.027 -6.185) 6.971 24.332 ( 2.474 3.226 5.318) 6.694 24.691 ( -0.312 1.328 -0.323) 1.402 ======================= Grid point 260 (130/160) ======================= q-point: (-0.33 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( 3.620 -0.776 0.329) 3.717 1.351 ( -2.582 -3.604 0.231) 4.439 2.057 ( 3.723 5.675 5.890) 8.986 2.156 ( -3.356 13.236 11.993) 18.174 2.464 ( -1.764 3.796 -2.159) 4.710 2.555 ( 0.516 -0.110 -11.965) 11.976 2.720 ( 5.165 -7.470 1.148) 9.154 2.958 ( 2.162 0.931 1.821) 2.976 2.983 ( 2.871 4.454 11.483) 12.647 3.150 ( 3.701 1.920 2.242) 4.734 3.431 ( -1.371 -4.679 -0.763) 4.935 3.606 ( -1.255 -4.090 -1.660) 4.589 3.760 ( -5.276 1.132 -3.264) 6.306 3.955 ( -0.763 2.550 3.300) 4.239 4.076 ( 1.764 -1.758 -3.670) 4.435 4.193 ( -1.829 1.988 1.028) 2.890 4.288 ( 0.267 2.097 -3.349) 3.960 4.337 ( -4.772 -1.458 -1.192) 5.130 4.512 ( 0.516 1.805 -0.971) 2.114 4.625 ( 2.343 4.433 0.714) 5.065 4.892 ( -1.294 2.326 -3.900) 4.721 4.994 ( -5.263 -1.998 -6.044) 8.260 5.594 ( 5.613 0.095 6.261) 8.409 6.001 ( -1.618 -1.285 -2.623) 3.339 6.035 ( 1.225 1.740 1.757) 2.759 6.216 ( -0.740 -0.602 3.727) 3.847 6.314 ( 1.750 -1.816 -3.665) 4.449 6.359 ( -5.263 0.481 -3.756) 6.484 7.136 ( 5.932 -6.737 3.537) 9.648 7.414 ( -0.644 -6.204 0.430) 6.252 7.958 ( 2.375 -1.422 0.516) 2.816 8.101 ( -2.076 -1.293 -1.370) 2.803 8.206 ( 3.250 -0.133 2.337) 4.005 8.443 ( -2.415 -0.598 -0.883) 2.640 12.790 ( 0.779 0.739 -0.177) 1.088 12.822 ( -0.621 0.392 -0.248) 0.775 13.528 ( -0.451 0.240 0.845) 0.987 13.544 ( 0.172 -0.035 -0.492) 0.523 23.178 ( 4.217 2.933 3.582) 6.262 23.783 ( -4.498 2.059 -10.100) 11.247 24.295 ( 1.445 6.322 4.890) 8.122 24.592 ( -4.499 6.807 -1.482) 8.293 ======================= Grid point 261 (131/160) ======================= q-point: (-0.22 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( 4.938 1.184 1.049) 5.185 1.366 ( -4.720 -0.885 -1.203) 4.951 1.914 ( -0.165 13.502 11.346) 17.637 2.072 ( -1.464 6.234 16.730) 17.914 2.322 ( -2.287 6.529 -8.956) 11.317 2.500 ( 2.845 1.779 -14.969) 15.341 2.882 ( 1.949 11.108 18.927) 22.032 2.916 ( 3.303 -3.640 2.215) 5.391 2.966 ( 2.911 0.648 3.991) 4.982 3.243 ( 6.275 -4.322 0.070) 7.620 3.491 ( -1.523 -3.828 -0.672) 4.174 3.647 ( 1.917 -0.934 -3.429) 4.038 3.724 ( -5.219 -3.693 -1.722) 6.621 3.846 ( -6.994 6.191 -3.174) 9.865 4.070 ( -0.559 1.043 -2.852) 3.088 4.106 ( -7.113 -0.438 -2.670) 7.610 4.262 ( 5.726 1.599 -0.704) 5.986 4.336 ( -4.353 -1.216 3.984) 6.024 4.490 ( 0.949 2.439 1.927) 3.250 4.576 ( 2.721 3.777 -2.392) 5.233 4.802 ( -0.518 4.346 -4.743) 6.454 4.926 ( -2.946 2.148 -7.113) 7.993 5.688 ( 6.905 -0.087 7.389) 10.113 5.985 ( -3.328 -1.375 -4.542) 5.796 6.037 ( 2.017 0.942 2.522) 3.364 6.226 ( -4.014 -0.053 0.301) 4.026 6.272 ( -4.336 0.834 -1.665) 4.719 6.345 ( 1.998 -1.644 -4.351) 5.062 7.389 ( 7.588 -12.556 5.505) 15.670 7.557 ( -0.902 -10.911 1.108) 11.004 8.016 ( 2.138 -2.376 0.557) 3.244 8.100 ( -2.329 -1.997 -1.653) 3.485 8.273 ( 5.025 -1.443 2.826) 5.943 8.426 ( -2.948 -1.241 -1.544) 3.552 12.785 ( 0.645 0.431 0.098) 0.781 12.807 ( -0.600 0.359 -0.533) 0.879 13.524 ( -0.482 0.221 0.886) 1.032 13.542 ( 0.130 0.086 -0.702) 0.719 23.170 ( 5.678 6.021 5.032) 9.685 23.586 ( -7.411 7.894 -12.292) 16.381 24.201 ( 1.623 8.792 4.013) 9.800 24.380 ( -5.988 10.468 -2.223) 12.263 ======================= Grid point 262 (132/160) ======================= q-point: (-0.11 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.224 ( 2.028 3.337 2.298) 4.531 1.277 ( -2.510 3.540 -1.936) 4.752 1.785 ( 3.506 11.642 17.364) 21.197 2.020 ( -6.290 6.067 15.248) 17.575 2.114 ( -2.589 8.461 -14.442) 16.937 2.370 ( 7.642 8.279 -17.936) 21.181 2.821 ( 5.100 8.099 25.539) 27.273 3.040 ( 4.300 -4.588 -0.665) 6.324 3.062 ( -0.107 -4.990 4.827) 6.943 3.307 ( -2.921 0.927 -11.441) 11.844 3.502 ( -0.539 -0.899 2.161) 2.402 3.601 ( -4.314 -1.240 -5.255) 6.911 3.736 ( 1.345 -0.539 -0.015) 1.449 3.740 ( -3.384 -0.467 0.217) 3.423 4.032 ( 0.061 2.803 1.505) 3.182 4.056 ( -5.016 -1.096 -0.983) 5.228 4.302 ( 0.258 -0.720 1.884) 2.033 4.351 ( 2.076 -1.715 1.144) 2.926 4.452 ( 2.143 3.888 -0.804) 4.512 4.527 ( 1.800 2.678 -3.046) 4.437 4.661 ( -7.170 7.459 0.488) 10.358 4.818 ( 7.093 6.703 -10.915) 14.642 5.795 ( 6.141 -0.599 7.528) 9.734 5.931 ( -5.552 -0.362 -6.136) 8.282 6.069 ( 2.756 -0.272 3.207) 4.238 6.134 ( -5.823 0.973 -3.491) 6.859 6.262 ( -0.996 0.498 4.183) 4.328 6.352 ( 1.461 0.183 -4.716) 4.941 7.710 ( 1.256 -13.571 5.424) 14.669 7.769 ( -0.320 -15.377 -0.274) 15.383 8.078 ( 1.479 -2.489 1.052) 3.080 8.107 ( -2.249 -2.342 -1.645) 3.640 8.365 ( 4.503 -1.722 2.583) 5.469 8.416 ( -2.474 -2.165 -2.584) 4.181 12.790 ( 0.234 -0.245 0.314) 0.462 12.798 ( -0.114 -0.237 -0.547) 0.606 13.520 ( -0.506 0.139 0.981) 1.113 13.538 ( 0.122 0.111 -0.791) 0.808 23.135 ( 7.110 8.245 5.093) 12.020 23.275 ( -8.110 12.304 -9.626) 17.602 24.086 ( 2.525 8.789 2.924) 9.601 24.140 ( -2.424 10.338 -2.517) 10.913 ======================= Grid point 265 (133/160) ======================= q-point: ( 0.22 0.22 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( 3.228 0.000 -4.911) 5.876 1.367 ( 7.784 0.000 5.140) 9.328 1.807 ( 7.727 0.000 -15.292) 17.133 2.089 ( -4.052 -0.000 -18.815) 19.247 2.185 ( 10.204 0.000 13.695) 17.078 2.205 ( 8.057 0.000 15.082) 17.099 2.729 ( -11.341 -0.000 -1.770) 11.478 2.771 ( 12.731 0.000 -12.984) 18.185 3.339 ( -5.179 -0.000 1.701) 5.451 3.447 ( 1.578 0.000 -2.264) 2.760 3.478 ( 0.926 0.000 -4.763) 4.852 3.577 ( -1.553 -0.000 1.004) 1.850 3.613 ( 3.455 0.000 10.456) 11.012 3.839 ( -5.590 -0.000 2.725) 6.218 3.938 ( -3.374 -0.000 3.857) 5.125 4.091 ( 1.816 0.000 -1.052) 2.099 4.132 ( 2.148 0.000 -7.819) 8.109 4.513 ( -0.132 -0.000 -2.568) 2.572 4.516 ( 2.100 0.000 -3.041) 3.695 4.602 ( 12.178 0.000 9.337) 15.345 4.744 ( 7.039 0.000 3.910) 8.052 4.863 ( 8.019 0.000 -2.898) 8.527 5.435 ( -8.717 -0.000 -4.110) 9.638 6.064 ( -0.410 -0.000 1.323) 1.385 6.176 ( 3.414 0.000 2.136) 4.027 6.257 ( -2.421 -0.000 3.995) 4.671 6.266 ( 3.433 0.000 -1.669) 3.817 6.398 ( 4.386 0.000 5.465) 7.008 7.511 ( -19.274 -0.000 -2.651) 19.455 7.616 ( -15.586 -0.000 -5.550) 16.545 8.074 ( -1.573 -0.000 -0.576) 1.675 8.192 ( -4.424 -0.000 -2.743) 5.205 8.278 ( 1.147 0.000 -1.472) 1.866 8.477 ( -1.203 -0.000 1.512) 1.932 12.780 ( 0.024 0.000 -0.622) 0.623 12.801 ( -0.268 -0.000 0.395) 0.477 13.528 ( -0.284 -0.000 1.360) 1.389 13.532 ( 0.089 0.000 -0.038) 0.097 22.922 ( 3.867 0.000 1.950) 4.331 23.330 ( 11.282 0.000 -2.702) 11.601 24.239 ( 9.145 0.000 11.698) 14.848 24.310 ( 13.293 0.000 -2.108) 13.459 ======================= Grid point 266 (134/160) ======================= q-point: ( 0.33 0.22 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( 3.568 2.437 -2.745) 5.119 1.528 ( 4.045 -2.719 9.707) 10.862 1.850 ( 10.946 -5.409 -13.821) 18.441 1.960 ( 0.512 -0.902 -19.359) 19.387 2.359 ( 9.290 -1.935 11.894) 15.216 2.405 ( 6.334 -5.631 12.292) 14.931 2.565 ( -13.793 2.685 -0.157) 14.053 2.883 ( 15.743 -1.723 -10.971) 19.266 3.261 ( -5.102 2.868 1.043) 5.945 3.358 ( -4.110 5.024 -8.539) 10.726 3.471 ( -1.479 7.552 4.056) 8.699 3.490 ( 1.783 -0.318 -0.626) 1.917 3.778 ( 1.743 -3.881 8.193) 9.232 3.816 ( -0.963 -2.189 1.031) 2.604 3.967 ( -4.536 -4.849 3.239) 7.387 4.108 ( 2.332 -0.825 -3.497) 4.284 4.146 ( 2.068 -2.079 -5.246) 6.010 4.446 ( 0.210 1.786 -5.234) 5.534 4.564 ( 0.878 -1.920 -1.801) 2.775 4.726 ( 4.848 -0.989 1.974) 5.327 4.837 ( 6.465 -0.242 7.123) 9.623 4.935 ( 4.578 -2.208 -2.028) 5.473 5.379 ( -3.073 -1.521 0.127) 3.431 6.045 ( -1.602 0.785 -1.064) 2.077 6.173 ( 2.994 3.905 1.870) 5.264 6.263 ( -1.797 -0.349 4.278) 4.654 6.301 ( 2.642 -0.668 -3.042) 4.084 6.463 ( 1.301 -0.213 7.047) 7.169 7.276 ( -14.419 5.010 -4.295) 15.857 7.435 ( -13.724 0.638 -5.712) 14.879 8.037 ( -0.627 2.647 -0.350) 2.743 8.138 ( -3.358 0.193 -2.279) 4.063 8.273 ( 1.412 1.703 0.663) 2.310 8.469 ( -1.953 -0.138 1.182) 2.288 12.778 ( 0.605 0.071 -0.434) 0.748 12.809 ( 0.102 -0.673 0.435) 0.808 13.532 ( -0.263 -0.011 1.144) 1.174 13.534 ( 0.110 -0.050 0.133) 0.180 22.995 ( 4.793 -1.924 2.517) 5.745 23.474 ( 8.035 -6.792 -3.873) 11.212 24.347 ( 7.886 2.053 9.008) 12.147 24.480 ( 10.057 -4.851 1.995) 11.343 ======================= Grid point 267 (135/160) ======================= q-point: ( 0.44 0.22 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.043 ( 3.070 0.212 -1.497) 3.422 1.484 ( -6.336 6.948 2.670) 9.775 2.005 ( 12.736 -6.767 -13.121) 19.498 2.108 ( 14.263 -12.109 -6.717) 19.879 2.371 ( -10.923 3.510 2.488) 11.740 2.535 ( 6.580 -1.179 9.257) 11.418 2.624 ( 1.704 -7.733 9.251) 12.177 2.966 ( 7.665 1.948 -5.114) 9.418 3.113 ( 1.840 9.702 -10.648) 14.522 3.237 ( -10.259 -3.174 0.591) 10.755 3.364 ( 2.162 8.092 7.445) 11.206 3.496 ( -1.642 -0.432 1.079) 2.012 3.844 ( -1.473 -2.578 2.535) 3.904 3.870 ( 0.942 -1.698 0.837) 2.114 4.050 ( -0.454 -4.826 -2.003) 5.244 4.099 ( -0.206 -0.083 -2.628) 2.637 4.178 ( 1.139 -2.931 -3.465) 4.679 4.415 ( -0.438 -1.187 -7.457) 7.564 4.575 ( 1.654 1.233 0.331) 2.089 4.775 ( 2.164 -0.974 -0.348) 2.399 4.898 ( 1.170 0.371 2.206) 2.524 4.985 ( -2.488 -2.149 -0.005) 3.288 5.431 ( 3.855 -2.336 4.987) 6.722 6.007 ( -2.064 0.396 -2.716) 3.435 6.142 ( 2.942 3.719 1.467) 4.963 6.264 ( -1.672 1.046 4.309) 4.739 6.302 ( 1.775 0.597 -3.447) 3.923 6.479 ( -2.415 1.477 4.908) 5.666 7.075 ( -6.667 3.717 -3.056) 8.223 7.304 ( -8.748 -1.163 -4.675) 9.987 7.985 ( 0.703 3.023 -0.072) 3.104 8.103 ( -1.871 0.066 -1.456) 2.371 8.255 ( 1.232 2.455 1.907) 3.344 8.457 ( -2.402 -0.169 0.763) 2.526 12.787 ( 1.251 -0.250 -0.375) 1.330 12.825 ( 0.062 -0.665 0.535) 0.856 13.534 ( -0.188 0.032 0.786) 0.809 13.537 ( 0.090 -0.123 0.277) 0.316 23.093 ( 5.013 -2.357 3.100) 6.348 23.631 ( 2.661 -7.715 -5.793) 10.008 24.420 ( 5.796 2.173 8.366) 10.407 24.640 ( 5.686 -3.493 1.572) 6.856 ======================= Grid point 268 (136/160) ======================= q-point: ( 0.56 0.22 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( 2.834 -2.351 -0.749) 3.758 1.326 ( -6.111 3.622 -0.201) 7.107 2.174 ( 7.787 0.299 -1.695) 7.975 2.297 ( 1.478 -7.571 -5.778) 9.638 2.384 ( 10.130 -5.294 0.027) 11.430 2.570 ( -1.780 4.618 7.209) 8.744 2.805 ( -0.707 -6.301 8.928) 10.950 2.862 ( 4.572 9.593 -7.111) 12.787 3.003 ( 0.804 1.102 -2.329) 2.699 3.235 ( -5.572 -4.760 -1.600) 7.501 3.339 ( 4.964 3.856 9.919) 11.743 3.494 ( -2.081 -0.575 3.144) 3.814 3.818 ( -5.694 0.694 -2.832) 6.397 3.945 ( 2.966 -3.517 -2.112) 5.062 4.018 ( -1.092 0.702 -1.937) 2.332 4.169 ( -0.310 -4.584 -3.873) 6.009 4.222 ( -0.417 -2.933 -0.556) 3.015 4.377 ( -1.320 0.186 -6.927) 7.054 4.571 ( 3.632 2.209 0.034) 4.251 4.790 ( 2.289 2.294 1.137) 3.434 4.892 ( -2.412 0.117 1.254) 2.721 4.951 ( -6.388 -0.720 -3.905) 7.522 5.551 ( 5.561 -2.229 6.754) 9.028 5.968 ( -2.693 -0.402 -3.716) 4.607 6.120 ( 2.868 3.148 1.434) 4.494 6.243 ( -0.598 1.959 3.346) 3.923 6.292 ( 1.043 0.353 -2.691) 2.908 6.419 ( -4.837 2.840 1.194) 5.735 7.015 ( 0.843 -0.841 -0.147) 1.200 7.259 ( -5.326 -3.422 -3.094) 7.046 7.958 ( 1.955 1.592 0.580) 2.587 8.082 ( -1.497 -0.052 -1.065) 1.838 8.241 ( 2.077 2.034 2.342) 3.733 8.435 ( -2.902 -0.043 -0.138) 2.906 12.803 ( 1.534 -0.097 -0.445) 1.600 12.832 ( -0.436 -0.030 0.484) 0.653 13.534 ( -0.322 0.122 0.851) 0.918 13.542 ( 0.206 -0.117 -0.054) 0.243 23.195 ( 5.410 -1.454 4.315) 7.071 23.709 ( -2.468 -5.229 -8.353) 10.159 24.462 ( 4.150 3.376 8.052) 9.667 24.707 ( 1.510 0.153 -0.559) 1.618 ======================= Grid point 269 (137/160) ======================= q-point: (-0.33 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.160 ( 2.876 -3.132 0.412) 4.272 1.268 ( -3.840 -2.239 -0.637) 4.491 2.191 ( 2.883 1.475 4.178) 5.287 2.332 ( -4.969 3.635 2.288) 6.568 2.460 ( -3.320 4.596 0.888) 5.739 2.571 ( 11.009 0.948 -5.515) 12.349 2.739 ( 7.171 1.853 -0.171) 7.409 2.913 ( -3.131 -2.451 1.966) 4.435 3.059 ( 5.106 -4.210 3.301) 7.395 3.248 ( -4.541 -2.784 -0.435) 5.345 3.404 ( 5.363 1.122 10.023) 11.423 3.520 ( 0.129 -1.781 3.866) 4.258 3.710 ( -5.535 1.617 -6.948) 9.030 3.984 ( -0.446 0.068 2.093) 2.142 4.037 ( 1.358 -2.494 -2.634) 3.873 4.110 ( -9.158 0.830 -12.180) 15.262 4.276 ( -2.220 -3.034 3.146) 4.902 4.352 ( 4.169 1.485 -2.016) 4.864 4.566 ( 4.166 2.787 0.083) 5.013 4.749 ( 1.833 5.915 1.813) 6.452 4.860 ( -7.584 -2.769 -1.148) 8.155 4.894 ( -0.130 0.469 -5.673) 5.694 5.667 ( 5.340 -1.389 6.904) 8.838 5.935 ( -3.287 -1.367 -4.539) 5.768 6.104 ( 2.420 2.748 2.479) 4.422 6.227 ( -0.452 1.111 2.022) 2.351 6.281 ( -0.888 0.011 -2.724) 2.865 6.331 ( -2.845 1.767 -1.460) 3.653 7.102 ( 4.900 -5.065 2.538) 7.490 7.278 ( -4.424 -5.810 -2.140) 7.610 7.973 ( 2.576 -0.036 1.119) 2.809 8.061 ( -2.165 -0.317 -1.273) 2.532 8.258 ( 3.937 0.708 2.702) 4.827 8.402 ( -3.473 -0.171 -1.314) 3.717 12.810 ( 1.143 0.611 -0.287) 1.327 12.823 ( -0.674 0.463 0.080) 0.822 13.532 ( -0.414 0.225 0.878) 0.996 13.544 ( 0.217 -0.011 -0.320) 0.387 23.284 ( 6.192 0.605 6.004) 8.646 23.676 ( -6.254 -1.431 -10.563) 12.358 24.460 ( 3.079 5.601 7.264) 9.676 24.656 ( -1.333 4.981 -2.691) 5.817 ======================= Grid point 270 (138/160) ======================= q-point: (-0.22 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( 1.289 -2.298 2.151) 3.401 1.289 ( -1.674 -2.990 -2.206) 4.075 2.170 ( 2.414 7.745 8.778) 11.953 2.250 ( -1.791 7.531 12.448) 14.659 2.321 ( -6.398 2.556 -6.100) 9.202 2.510 ( 6.086 4.251 -13.571) 15.469 2.876 ( -0.190 -1.625 3.184) 3.579 2.923 ( 3.375 -4.037 -1.420) 5.450 3.158 ( -3.110 0.821 9.247) 9.791 3.281 ( 5.953 -3.272 -2.743) 7.326 3.479 ( 4.935 2.176 11.061) 12.305 3.595 ( 1.484 -2.895 4.493) 5.547 3.628 ( -2.080 -0.874 -6.232) 6.628 3.831 ( -11.244 6.775 -13.046) 18.507 4.018 ( -3.067 -1.364 1.654) 3.742 4.073 ( 1.666 -0.917 -3.316) 3.823 4.292 ( -3.754 -0.281 4.331) 5.738 4.364 ( 5.289 1.653 -1.542) 5.752 4.564 ( 3.272 2.947 3.888) 5.875 4.650 ( -0.064 5.005 -4.994) 7.071 4.826 ( -7.264 0.543 0.141) 7.286 4.887 ( 5.697 -0.824 -5.637) 8.057 5.770 ( 4.116 -1.113 7.161) 8.334 5.902 ( -2.992 -1.321 -6.063) 6.889 6.101 ( 1.375 1.823 4.167) 4.751 6.184 ( -3.392 1.577 -3.790) 5.325 6.255 ( -1.716 -0.039 2.853) 3.329 6.322 ( 2.144 -1.016 -3.576) 4.291 7.290 ( 5.480 -9.110 3.981) 11.352 7.348 ( -5.371 -9.041 -1.748) 10.661 8.012 ( 2.043 -1.095 1.444) 2.731 8.043 ( -2.255 -1.091 -1.659) 3.005 8.316 ( 5.018 -0.691 2.675) 5.728 8.365 ( -3.925 -0.776 -2.330) 4.630 12.800 ( -0.486 0.740 0.397) 0.971 12.811 ( 0.599 0.746 -0.720) 1.198 13.528 ( -0.437 0.268 0.939) 1.070 13.543 ( 0.169 0.131 -0.515) 0.558 23.348 ( 6.908 3.438 7.825) 10.989 23.537 ( -7.883 3.106 -11.475) 14.264 24.400 ( 1.212 8.099 6.021) 10.165 24.503 ( -0.122 9.302 -4.314) 10.254 ======================= Grid point 271 (139/160) ======================= q-point: (-0.11 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( -5.162 1.052 -0.517) 5.294 1.321 ( 3.974 -0.318 1.069) 4.128 2.102 ( 2.286 11.141 7.636) 13.698 2.134 ( 2.095 6.669 2.298) 7.358 2.204 ( -2.914 6.112 5.893) 8.977 2.433 ( 5.137 3.384 -17.801) 18.834 2.861 ( -8.287 -2.689 4.011) 9.591 3.032 ( 4.697 -3.395 -3.743) 6.899 3.143 ( -2.655 1.172 11.440) 11.802 3.284 ( -2.586 6.778 -13.890) 15.671 3.514 ( -2.750 0.169 -0.301) 2.771 3.566 ( 4.889 1.716 4.877) 7.115 3.632 ( -4.031 -1.810 3.827) 5.845 3.773 ( 8.628 -3.637 -0.270) 9.367 4.015 ( -3.190 -0.096 2.935) 4.336 4.075 ( 1.319 0.914 -0.292) 1.631 4.263 ( -4.303 0.697 1.682) 4.673 4.397 ( 5.557 -0.368 -0.387) 5.583 4.537 ( 1.079 3.636 -3.286) 5.018 4.568 ( 3.122 3.575 -1.871) 5.102 4.707 ( -8.363 4.711 2.071) 9.819 4.930 ( 8.902 1.897 -5.802) 10.794 5.803 ( -6.567 -0.672 -1.637) 6.801 5.902 ( 5.066 -0.550 1.300) 5.259 6.077 ( -4.240 0.903 -0.721) 4.394 6.150 ( 4.698 1.358 3.065) 5.772 6.265 ( -1.717 -0.711 3.706) 4.146 6.339 ( 1.707 -0.694 -4.384) 4.756 7.459 ( -7.938 -12.325 -1.488) 14.736 7.537 ( 2.294 -12.681 3.061) 13.245 8.036 ( -2.586 -2.168 -1.223) 3.589 8.067 ( 2.035 -1.794 1.447) 3.075 8.332 ( -4.235 -1.522 -3.022) 5.420 8.394 ( 4.309 -1.513 1.666) 4.861 12.787 ( -0.671 0.233 -0.013) 0.710 12.804 ( 0.829 0.527 -0.260) 1.016 13.525 ( -0.416 0.239 1.062) 1.166 13.538 ( 0.143 0.196 -0.602) 0.649 23.300 ( -7.525 7.231 -6.368) 12.226 23.393 ( 8.242 6.984 5.441) 12.096 24.250 ( -2.870 9.760 0.353) 10.180 24.353 ( 7.719 10.569 -0.803) 13.112 ======================= Grid point 275 (140/160) ======================= q-point: ( 0.33 0.33 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.117 ( 3.956 0.000 0.386) 3.974 1.597 ( 1.641 0.000 12.665) 12.771 1.848 ( 11.234 0.000 -11.680) 16.205 1.870 ( 7.166 0.000 -18.672) 20.000 2.447 ( -9.766 -0.000 2.037) 9.976 2.490 ( 2.641 0.000 11.902) 12.192 2.490 ( 8.622 0.000 9.284) 12.670 2.987 ( 17.765 0.000 -10.150) 20.460 3.170 ( -14.571 -0.000 4.023) 15.117 3.388 ( 1.565 0.000 -13.406) 13.497 3.420 ( -2.179 -0.000 -2.530) 3.339 3.649 ( 6.055 0.000 3.665) 7.078 3.777 ( 1.764 0.000 7.188) 7.401 3.790 ( -1.753 -0.000 2.191) 2.806 3.897 ( -4.596 -0.000 5.344) 7.049 4.098 ( 0.800 0.000 -4.683) 4.751 4.132 ( 2.940 0.000 -3.071) 4.251 4.432 ( -4.218 -0.000 -6.342) 7.617 4.526 ( 3.359 0.000 -4.669) 5.752 4.717 ( -3.110 -0.000 -1.950) 3.670 4.910 ( 3.363 0.000 3.506) 4.858 4.958 ( 4.140 0.000 -1.524) 4.411 5.398 ( 4.669 0.000 7.380) 8.733 6.020 ( -2.713 -0.000 -3.095) 4.116 6.223 ( -2.118 -0.000 3.366) 3.977 6.296 ( 3.140 0.000 3.761) 4.899 6.306 ( 3.033 0.000 -2.668) 4.040 6.487 ( -2.121 -0.000 5.606) 5.994 7.170 ( -11.039 -0.000 -4.375) 11.874 7.276 ( -12.839 -0.000 -5.662) 14.032 8.060 ( -0.118 -0.000 0.876) 0.884 8.105 ( -1.785 -0.000 -1.476) 2.316 8.301 ( 1.653 0.000 -0.087) 1.656 8.450 ( -2.923 -0.000 1.072) 3.114 12.784 ( 0.971 0.000 -0.527) 1.105 12.804 ( -0.065 -0.000 0.637) 0.640 13.535 ( -0.337 -0.000 1.183) 1.231 13.535 ( 0.180 0.000 0.106) 0.209 23.050 ( 5.629 0.000 4.446) 7.173 23.466 ( 6.920 0.000 -5.924) 9.109 24.494 ( 2.741 0.000 14.311) 14.571 24.528 ( 11.865 0.000 -2.445) 12.115 ======================= Grid point 276 (141/160) ======================= q-point: ( 0.44 0.33 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( 3.436 3.524 1.813) 5.245 1.531 ( -8.894 5.596 -0.006) 10.508 1.963 ( 13.331 -5.408 -11.322) 18.308 2.044 ( 18.232 -9.388 0.160) 20.508 2.314 ( -12.543 1.529 0.772) 12.659 2.612 ( 5.121 -1.839 6.510) 8.484 2.633 ( 5.963 -1.930 12.410) 13.902 3.037 ( -7.243 1.174 2.242) 7.672 3.107 ( 3.702 -1.662 -4.398) 5.984 3.250 ( 2.896 9.080 -12.928) 16.061 3.392 ( -2.037 0.259 -1.073) 2.317 3.641 ( 5.281 6.451 6.334) 10.470 3.797 ( -0.908 -0.960 -0.011) 1.321 3.865 ( -1.660 -1.004 3.766) 4.236 3.932 ( -1.462 -6.970 1.267) 7.233 4.069 ( -1.583 0.044 -6.832) 7.013 4.153 ( 2.298 -0.744 -1.560) 2.875 4.350 ( -3.364 -0.528 -7.178) 7.945 4.570 ( 2.969 -2.618 -3.202) 5.091 4.694 ( -5.157 -4.063 -2.115) 6.897 4.932 ( 0.775 1.339 1.993) 2.523 4.975 ( 1.214 0.884 -0.637) 1.631 5.504 ( 7.105 -0.328 8.835) 11.342 5.970 ( -3.094 0.239 -4.426) 5.406 6.209 ( -1.471 1.190 3.536) 4.011 6.310 ( 2.634 1.212 -0.346) 2.920 6.322 ( 2.172 1.914 0.599) 2.956 6.480 ( -4.461 0.110 3.584) 5.723 7.049 ( -5.369 1.946 -2.675) 6.306 7.166 ( -8.382 -2.084 -4.649) 9.809 8.044 ( 0.694 2.411 0.940) 2.679 8.088 ( -0.387 0.291 -0.934) 1.053 8.307 ( 1.728 1.256 0.692) 2.245 8.427 ( -3.275 -0.345 0.608) 3.348 12.794 ( 1.325 -0.197 -0.378) 1.392 12.814 ( -0.220 -0.749 0.537) 0.947 13.536 ( -0.292 0.024 0.899) 0.946 13.538 ( 0.188 -0.059 0.194) 0.276 23.137 ( 5.409 -1.156 5.321) 7.675 23.522 ( 2.617 -4.146 -7.180) 8.694 24.547 ( 2.528 2.070 10.091) 10.607 24.652 ( 6.980 -2.461 -0.042) 7.401 ======================= Grid point 277 (142/160) ======================= q-point: ( 0.56 0.33 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( 3.601 1.712 2.309) 4.607 1.338 ( -7.272 5.857 -2.516) 9.671 2.147 ( 10.959 -7.516 -9.894) 16.567 2.190 ( -11.567 -0.542 3.613) 12.131 2.403 ( 17.580 -9.305 3.017) 20.118 2.671 ( -0.279 2.330 6.084) 6.521 2.771 ( 2.264 -2.572 9.056) 9.683 2.959 ( -12.080 -1.660 6.451) 13.795 3.058 ( 6.256 10.338 -10.363) 15.918 3.138 ( 3.368 -1.056 -6.806) 7.667 3.375 ( 0.457 0.591 2.097) 2.226 3.625 ( 2.805 5.329 9.032) 10.856 3.739 ( -6.698 0.119 -4.998) 8.358 3.910 ( 3.508 -3.208 -1.459) 4.972 4.010 ( -0.672 -0.519 -2.513) 2.652 4.030 ( -4.471 -4.191 -4.795) 7.781 4.185 ( 0.505 -1.603 0.992) 1.952 4.321 ( -0.390 -1.989 -6.355) 6.671 4.619 ( 2.542 -1.036 -0.087) 2.746 4.735 ( -2.868 -5.731 -3.176) 7.152 4.907 ( -0.922 2.178 1.765) 2.951 4.936 ( -1.097 3.415 -0.272) 3.597 5.619 ( 6.219 -0.801 7.876) 10.068 5.911 ( -3.695 -0.026 -5.289) 6.452 6.194 ( -0.143 1.793 3.492) 3.928 6.299 ( 1.645 1.720 -2.992) 3.823 6.309 ( 2.218 2.413 2.375) 4.048 6.422 ( -5.492 2.490 1.254) 6.159 7.008 ( 0.960 -0.815 -0.197) 1.275 7.130 ( -5.349 -3.338 -3.436) 7.181 8.016 ( 1.763 2.379 0.890) 3.092 8.071 ( -0.779 0.771 -0.927) 1.435 8.307 ( 2.759 1.682 1.598) 3.605 8.401 ( -3.443 -0.134 -0.286) 3.457 12.812 ( 1.535 -0.392 -0.339) 1.620 12.824 ( -0.661 -0.542 0.364) 0.929 13.537 ( -0.392 0.062 0.845) 0.933 13.542 ( 0.304 -0.061 -0.026) 0.311 23.244 ( 5.410 -2.055 6.136) 8.435 23.559 ( -2.527 -4.356 -8.443) 9.831 24.578 ( 0.442 1.879 9.518) 9.712 24.723 ( 4.264 -0.218 -2.693) 5.048 ======================= Grid point 278 (143/160) ======================= q-point: (-0.33 -0.67 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( 0.662 -0.979 2.928) 3.158 1.214 ( -1.969 0.877 -2.612) 3.386 2.157 ( -8.348 -4.166 5.460) 10.810 2.274 ( 2.238 -3.678 -5.916) 7.316 2.589 ( -2.475 7.243 5.619) 9.495 2.666 ( 9.740 -1.489 -2.366) 10.134 2.824 ( 1.256 -0.003 4.214) 4.398 2.892 ( -2.953 2.386 -3.610) 5.239 3.008 ( -0.933 -3.480 4.894) 6.077 3.163 ( 4.800 -1.832 -7.257) 8.891 3.417 ( 2.169 -1.717 6.539) 7.100 3.566 ( -5.096 -0.357 -5.015) 7.159 3.723 ( 3.898 2.436 9.937) 10.948 3.966 ( -7.995 -0.488 -11.656) 14.143 3.989 ( 0.769 -0.469 0.111) 0.908 3.998 ( 0.925 -1.944 -1.242) 2.485 4.229 ( -1.133 -2.438 3.693) 4.568 4.345 ( 2.374 -2.951 -6.216) 7.279 4.657 ( 3.157 0.646 3.110) 4.478 4.748 ( -4.851 -1.213 -3.704) 6.223 4.856 ( 0.003 4.550 0.751) 4.611 4.885 ( 1.504 0.480 -0.991) 1.864 5.724 ( 4.070 -1.178 7.183) 8.340 5.854 ( -3.517 -0.994 -5.979) 7.008 6.179 ( -0.001 2.194 3.821) 4.406 6.255 ( -1.460 2.535 -3.277) 4.392 6.299 ( 2.333 2.667 2.325) 4.238 6.337 ( -1.510 2.020 -1.122) 2.760 7.082 ( 4.210 -3.887 1.996) 6.068 7.133 ( -4.439 -4.337 -2.941) 6.868 8.012 ( 1.995 1.092 1.304) 2.621 8.037 ( -1.903 0.713 -1.322) 2.424 8.326 ( 4.312 1.065 2.103) 4.914 8.362 ( -3.445 0.344 -1.586) 3.808 12.820 ( -1.113 0.125 0.337) 1.170 12.828 ( 1.389 0.050 -0.528) 1.487 13.535 ( -0.458 0.128 0.795) 0.926 13.545 ( 0.303 0.017 -0.216) 0.372 23.366 ( 5.890 -1.837 7.292) 9.552 23.531 ( -6.211 -2.556 -9.408) 11.560 24.579 ( -2.062 2.623 8.319) 8.963 24.712 ( 3.293 3.274 -5.041) 6.853 ======================= Grid point 279 (144/160) ======================= q-point: (-0.22 -0.67 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( -3.788 -3.542 0.495) 5.209 1.249 ( 3.916 -2.374 -0.018) 4.580 2.197 ( -7.570 -4.628 3.652) 9.595 2.280 ( -1.703 0.593 4.217) 4.587 2.454 ( -0.264 8.517 4.430) 9.604 2.606 ( 4.057 7.415 -9.611) 12.798 2.791 ( -9.524 -0.765 -4.035) 10.371 2.941 ( 6.897 -3.203 -0.297) 7.610 3.057 ( -8.168 -3.493 2.549) 9.242 3.259 ( 8.240 -4.587 -1.853) 9.611 3.503 ( 0.176 -1.910 3.213) 3.742 3.563 ( 3.005 -3.134 -3.352) 5.485 3.749 ( -7.402 4.200 -5.249) 9.999 3.803 ( 4.141 4.419 10.082) 11.760 3.996 ( -0.024 -0.236 1.409) 1.428 4.053 ( 2.805 -2.103 -2.807) 4.491 4.268 ( -2.528 -1.357 4.598) 5.420 4.384 ( 2.638 -2.342 -6.321) 7.238 4.636 ( -5.128 2.047 -3.696) 6.645 4.713 ( 4.362 2.979 5.613) 7.708 4.788 ( -1.654 3.613 -1.018) 4.102 4.911 ( 5.012 -1.147 -2.422) 5.683 5.769 ( -4.738 -1.173 0.017) 4.881 5.858 ( 4.166 -1.945 -0.146) 4.600 6.132 ( -4.737 2.736 1.467) 5.664 6.194 ( 0.165 1.256 0.233) 1.288 6.290 ( 2.781 2.656 2.644) 4.666 6.318 ( 1.979 0.172 -3.160) 3.732 7.156 ( -5.324 -5.873 -2.557) 8.329 7.227 ( 4.565 -6.138 2.851) 8.163 7.994 ( -2.942 -0.106 -0.904) 3.080 8.038 ( 2.391 -0.058 0.947) 2.572 8.310 ( -3.657 0.292 -2.609) 4.502 8.371 ( 4.719 0.239 1.934) 5.105 12.804 ( -1.187 0.503 0.278) 1.319 12.831 ( 1.066 0.709 -0.564) 1.399 13.532 ( -0.477 0.168 0.827) 0.969 13.545 ( 0.239 0.154 -0.365) 0.463 23.426 ( -6.998 0.621 -6.265) 9.414 23.496 ( 6.268 -0.677 5.456) 8.337 24.516 ( -4.784 5.041 3.659) 7.854 24.645 ( 4.954 6.112 -3.509) 8.614 ======================= Grid point 280 (145/160) ======================= q-point: (-0.11 0.33 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( -3.681 -1.564 -0.932) 4.107 1.329 ( 2.708 -2.683 1.488) 4.093 2.153 ( -4.337 1.474 -5.041) 6.811 2.293 ( -1.915 1.940 12.644) 12.934 2.380 ( 5.392 6.738 7.238) 11.263 2.456 ( 2.190 6.757 -16.021) 17.525 2.736 ( -7.597 -5.039 -0.464) 9.128 2.991 ( -1.944 0.365 -1.758) 2.646 3.061 ( -5.318 -5.707 0.676) 7.829 3.333 ( -0.318 6.383 -9.730) 11.641 3.460 ( -4.564 -0.728 -5.545) 7.218 3.557 ( 0.385 -1.449 3.564) 3.867 3.709 ( 5.085 -0.797 1.407) 5.335 3.893 ( 7.564 2.001 11.593) 13.986 4.013 ( 0.697 -0.050 3.765) 3.830 4.102 ( 4.817 -0.613 1.025) 4.963 4.256 ( -3.296 1.365 1.206) 3.766 4.414 ( 2.236 -1.617 -3.776) 4.677 4.548 ( -1.746 0.712 -4.347) 4.738 4.670 ( -0.394 6.105 -5.962) 8.542 4.736 ( 1.494 3.342 9.512) 10.192 4.983 ( 5.780 -1.586 -2.080) 6.344 5.713 ( -6.441 -0.258 -4.673) 7.962 5.943 ( 4.320 -1.539 2.503) 5.224 6.056 ( -3.551 1.297 -0.100) 3.781 6.201 ( -0.221 -0.921 3.749) 3.866 6.291 ( 3.195 2.260 3.140) 5.018 6.323 ( 1.711 -0.537 -3.823) 4.223 7.201 ( -6.828 -7.919 -2.782) 10.820 7.394 ( 1.630 -8.028 2.388) 8.532 7.974 ( -2.681 -1.304 -1.104) 3.179 8.073 ( 2.093 -0.861 1.505) 2.718 8.260 ( -3.648 -0.298 -3.192) 4.856 8.421 ( 3.407 -0.476 1.339) 3.691 12.787 ( -0.654 0.442 0.080) 0.794 12.823 ( 0.749 0.850 -0.302) 1.172 13.529 ( -0.438 0.159 0.936) 1.046 13.541 ( 0.190 0.257 -0.426) 0.532 23.284 ( -6.863 3.551 -6.991) 10.420 23.594 ( 8.216 2.338 8.544) 12.082 24.366 ( -3.615 7.606 -1.251) 8.514 24.575 ( 6.251 7.371 -0.516) 9.678 ======================= Grid point 285 (146/160) ======================= q-point: ( 0.44 0.44 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( 1.762 0.000 4.884) 5.192 1.484 ( -8.694 -0.000 -4.128) 9.624 2.002 ( 13.501 0.000 -5.798) 14.693 2.133 ( 4.122 0.000 6.634) 7.810 2.233 ( 2.507 0.000 -1.664) 3.009 2.622 ( -2.245 -0.000 -1.810) 2.884 2.755 ( 8.856 0.000 12.051) 14.955 2.923 ( -16.719 -0.000 11.162) 20.103 3.148 ( 2.327 0.000 -3.549) 4.244 3.292 ( 3.868 0.000 -15.120) 15.607 3.423 ( 8.988 0.000 -1.140) 9.060 3.777 ( -7.023 -0.000 -1.511) 7.184 3.803 ( 5.192 0.000 2.919) 5.956 3.814 ( 1.721 0.000 2.460) 3.002 3.856 ( -5.610 -0.000 2.701) 6.226 4.008 ( -1.490 -0.000 -7.500) 7.647 4.168 ( 2.946 0.000 -1.091) 3.141 4.268 ( -4.575 -0.000 -4.722) 6.575 4.560 ( 5.184 0.000 -4.801) 7.066 4.590 ( -6.457 -0.000 -0.584) 6.483 4.964 ( 0.181 0.000 2.424) 2.430 4.994 ( 1.038 0.000 -0.571) 1.185 5.613 ( 6.543 0.000 8.593) 10.800 5.915 ( -3.664 -0.000 -5.555) 6.655 6.218 ( -1.866 -0.000 4.362) 4.744 6.322 ( 1.952 0.000 -3.963) 4.418 6.390 ( 2.567 0.000 2.843) 3.830 6.449 ( -4.439 -0.000 2.744) 5.219 7.017 ( -2.829 -0.000 -1.611) 3.255 7.056 ( -4.883 -0.000 -3.698) 6.125 8.074 ( -0.106 -0.000 1.468) 1.472 8.092 ( 1.119 0.000 -0.813) 1.383 8.339 ( 2.519 0.000 0.049) 2.519 8.394 ( -3.276 -0.000 0.264) 3.287 12.803 ( 1.388 0.000 -0.556) 1.496 12.806 ( -0.560 -0.000 0.579) 0.805 13.538 ( -0.427 -0.000 0.881) 0.979 13.541 ( 0.353 0.000 0.043) 0.355 23.202 ( 3.939 0.000 6.675) 7.750 23.468 ( 0.641 0.000 -7.903) 7.929 24.611 ( -3.956 -0.000 11.728) 12.377 24.705 ( 9.714 0.000 -3.931) 10.479 ======================= Grid point 286 (147/160) ======================= q-point: (-0.44 -0.56 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( 2.203 3.051 6.843) 7.810 1.346 ( -6.221 4.392 -4.865) 9.037 2.057 ( -15.459 -1.369 3.574) 15.925 2.129 ( 11.286 -2.694 -3.807) 12.211 2.451 ( 16.962 -6.031 3.878) 18.416 2.578 ( -9.188 -5.250 -8.581) 13.624 2.849 ( -14.403 -0.882 14.528) 20.477 2.886 ( 7.134 1.971 11.094) 13.336 3.117 ( -1.982 0.042 -3.577) 4.089 3.203 ( 4.786 5.997 -13.100) 15.182 3.500 ( 11.834 4.297 3.089) 12.963 3.627 ( -11.377 2.741 -8.625) 14.537 3.762 ( -0.170 2.496 6.165) 6.653 3.862 ( 1.670 -2.332 -4.773) 5.569 3.920 ( -0.713 -3.451 3.649) 5.073 3.992 ( 0.013 -1.414 -4.100) 4.337 4.185 ( 0.860 0.089 1.026) 1.342 4.245 ( -0.737 -2.672 -4.377) 5.181 4.566 ( -5.217 -3.803 1.160) 6.560 4.627 ( 4.790 -4.085 -4.294) 7.620 4.953 ( -0.633 2.204 2.352) 3.285 4.980 ( 0.077 2.093 -0.518) 2.157 5.708 ( 5.154 0.081 7.621) 9.200 5.845 ( -4.334 0.148 -6.362) 7.699 6.222 ( -1.085 0.516 4.417) 4.577 6.310 ( 1.274 0.748 -4.397) 4.638 6.400 ( 2.002 2.318 2.856) 4.188 6.417 ( -2.962 1.456 1.210) 3.515 7.004 ( 1.341 -0.901 -0.047) 1.616 7.030 ( -2.193 -1.801 -2.645) 3.879 8.065 ( 0.175 1.366 1.017) 1.712 8.086 ( 0.575 1.580 -1.073) 1.995 8.360 ( 1.958 0.609 0.500) 2.110 8.368 ( -1.327 -0.054 -0.403) 1.388 12.807 ( -0.864 -0.565 0.379) 1.100 12.817 ( 1.298 -0.445 -0.596) 1.496 13.537 ( -0.447 0.014 0.721) 0.849 13.545 ( 0.396 -0.012 -0.070) 0.402 23.283 ( 2.860 -1.962 7.292) 8.074 23.437 ( -3.048 -1.974 -8.244) 9.008 24.614 ( -5.790 0.101 9.630) 11.237 24.764 ( 7.542 0.430 -5.400) 9.286 ======================= Grid point 287 (148/160) ======================= q-point: (-0.33 -0.56 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.160 ( -5.752 4.051 1.037) 7.112 1.255 ( 4.199 2.512 2.091) 5.321 1.991 ( -14.365 -5.323 5.950) 16.434 2.231 ( 2.914 -1.961 -0.768) 3.595 2.539 ( -8.880 -6.429 -10.191) 14.968 2.698 ( 8.925 -3.767 1.608) 9.819 2.810 ( -11.182 -0.719 11.280) 15.899 2.887 ( -2.020 3.879 5.540) 7.058 3.059 ( 0.697 5.215 -8.572) 10.058 3.157 ( 8.088 -2.400 -6.104) 10.413 3.465 ( -4.580 0.724 -6.807) 8.236 3.553 ( 10.017 4.489 9.074) 14.242 3.791 ( -3.175 -2.607 4.365) 5.994 3.833 ( -4.350 0.812 -4.136) 6.057 3.978 ( 1.589 -1.664 1.306) 2.645 4.006 ( 2.804 -0.781 -1.597) 3.320 4.207 ( -0.589 -1.408 3.302) 3.638 4.272 ( 0.716 -2.951 -5.738) 6.492 4.613 ( -3.725 -4.797 1.673) 6.300 4.713 ( 3.346 -2.335 -1.960) 4.526 4.922 ( 1.300 2.102 1.410) 2.846 4.931 ( 0.948 3.113 -0.982) 3.399 5.747 ( -4.693 0.222 -2.063) 5.131 5.809 ( 3.568 -0.813 2.017) 4.179 6.219 ( -1.048 1.319 4.041) 4.378 6.265 ( -2.025 2.730 -3.182) 4.656 6.351 ( -0.790 1.927 -1.116) 2.363 6.408 ( 4.757 3.091 2.484) 6.193 7.028 ( -1.895 -1.983 -1.953) 3.367 7.078 ( 4.654 -3.105 1.424) 5.773 8.037 ( -1.745 2.473 -1.197) 3.255 8.055 ( 1.185 1.005 0.801) 1.748 8.333 ( -2.406 0.636 -1.127) 2.732 8.394 ( 4.677 0.677 0.529) 4.756 12.807 ( -1.266 -0.370 0.146) 1.327 12.834 ( 1.117 -0.488 -0.608) 1.361 13.536 ( -0.478 0.052 0.620) 0.784 13.548 ( 0.367 0.031 -0.217) 0.427 23.385 ( -6.027 -2.441 -7.550) 9.964 23.400 ( 2.879 -3.563 7.031) 8.391 24.593 ( -7.002 0.249 6.794) 9.760 24.774 ( 5.232 2.033 -6.337) 8.465 ======================= Grid point 288 (149/160) ======================= q-point: (-0.22 -0.56 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( -3.933 -1.582 -0.048) 4.240 1.285 ( 4.945 1.133 2.765) 5.778 2.018 ( -13.367 -8.389 8.383) 17.870 2.252 ( -4.223 -2.109 2.714) 5.445 2.493 ( -5.732 -1.772 -8.602) 10.487 2.704 ( 0.789 5.765 -0.963) 5.898 2.729 ( -6.968 4.820 2.908) 8.958 2.898 ( -1.003 -4.025 0.718) 4.209 2.987 ( -0.671 -1.291 -5.602) 5.788 3.268 ( 9.163 -2.843 -3.461) 10.199 3.447 ( 0.249 -2.557 -3.427) 4.283 3.606 ( -0.004 3.487 0.420) 3.512 3.710 ( 0.162 1.089 0.052) 1.102 3.870 ( -2.070 -2.821 7.702) 8.460 4.031 ( 2.267 -2.013 -1.536) 3.399 4.047 ( 4.316 -0.032 3.995) 5.882 4.251 ( -0.557 -2.021 4.391) 4.866 4.295 ( -0.790 -3.223 -5.822) 6.702 4.609 ( -3.557 1.539 -1.918) 4.324 4.761 ( -1.066 -1.069 4.612) 4.853 4.902 ( 7.092 3.384 -1.946) 8.096 4.926 ( 2.896 0.553 -0.810) 3.058 5.680 ( -5.814 -1.327 -5.370) 8.025 5.883 ( 3.847 -1.197 4.288) 5.883 6.145 ( -4.878 4.045 -0.350) 6.347 6.215 ( -0.869 1.151 2.122) 2.565 6.328 ( 1.869 0.791 -2.991) 3.615 6.408 ( 5.226 4.123 2.274) 7.035 7.035 ( -2.137 -2.350 -2.061) 3.787 7.198 ( 4.738 -4.136 2.776) 6.874 7.974 ( -2.549 1.507 -0.950) 3.110 8.064 ( 1.704 0.125 0.844) 1.905 8.285 ( -2.080 1.445 -2.226) 3.372 8.429 ( 4.208 0.692 0.573) 4.302 12.797 ( -1.279 0.025 0.114) 1.284 12.844 ( 0.678 0.082 -0.647) 0.941 13.533 ( -0.513 0.067 0.632) 0.817 13.548 ( 0.287 0.132 -0.336) 0.461 23.311 ( -7.176 -1.293 -7.374) 10.370 23.546 ( 4.473 -4.396 7.923) 10.105 24.532 ( -6.864 1.984 2.093) 7.445 24.741 ( 3.024 2.926 -4.611) 6.242 ======================= Grid point 289 (150/160) ======================= q-point: (-0.11 -0.56 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( -1.710 -3.237 -0.243) 3.669 1.330 ( 3.101 -0.460 1.268) 3.381 2.051 ( -9.846 -4.545 2.938) 11.236 2.295 ( -6.306 -5.777 6.544) 10.769 2.446 ( 0.946 0.132 -4.568) 4.667 2.570 ( -0.254 6.680 -2.908) 7.290 2.631 ( -1.504 2.135 1.587) 3.056 2.937 ( -4.690 -1.806 1.575) 5.267 2.987 ( 0.577 -1.098 -4.833) 4.989 3.368 ( -4.760 5.126 -10.983) 13.021 3.379 ( 2.092 -2.978 -2.176) 4.240 3.553 ( 2.036 -1.826 1.726) 3.234 3.780 ( 6.713 0.896 4.788) 8.294 3.924 ( -2.318 -2.831 3.956) 5.388 4.049 ( 1.237 0.222 -1.302) 1.809 4.154 ( 4.071 -3.148 5.719) 7.694 4.274 ( -0.557 2.189 3.317) 4.012 4.330 ( -0.541 -5.060 -2.944) 5.879 4.537 ( -0.866 1.352 -1.324) 2.081 4.721 ( -2.362 4.176 -2.236) 5.293 4.905 ( 6.083 5.366 3.954) 9.024 4.977 ( 4.416 -2.821 -0.763) 5.295 5.625 ( -4.971 -1.025 -5.879) 7.767 5.959 ( 2.746 -1.699 3.139) 4.503 6.051 ( -3.507 1.869 0.465) 4.001 6.199 ( -1.421 0.517 2.344) 2.789 6.320 ( 1.697 0.438 -3.467) 3.885 6.395 ( 4.151 3.653 2.383) 6.021 7.047 ( -2.856 -3.095 -2.166) 4.736 7.321 ( 2.444 -4.370 2.574) 5.630 7.936 ( -1.839 0.037 -0.752) 1.987 8.088 ( 1.760 -0.403 1.034) 2.081 8.227 ( -2.173 1.408 -2.637) 3.695 8.454 ( 2.477 0.411 0.458) 2.552 12.786 ( -0.701 0.102 0.116) 0.718 12.839 ( 0.319 0.577 -0.504) 0.830 13.531 ( -0.496 0.030 0.742) 0.893 13.546 ( 0.221 0.236 -0.372) 0.493 23.225 ( -5.506 0.292 -5.499) 7.787 23.699 ( 5.930 -2.799 7.636) 10.065 24.418 ( -5.134 4.322 -2.111) 7.035 24.699 ( 2.102 2.975 -1.675) 4.009 ======================= Grid point 295 (151/160) ======================= q-point: (-0.44 -0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.306 ( -5.126 -0.000 -5.035) 7.185 1.307 ( 2.526 0.000 10.725) 11.019 1.906 ( -17.001 -0.000 4.014) 17.469 2.202 ( 4.918 0.000 1.080) 5.035 2.350 ( -9.794 -0.000 -13.489) 16.669 2.566 ( 13.362 0.000 2.119) 13.529 2.775 ( -14.466 -0.000 13.214) 19.593 3.020 ( 0.655 0.000 11.861) 11.879 3.094 ( 4.273 0.000 -2.672) 5.039 3.188 ( -5.640 -0.000 -11.692) 12.981 3.513 ( -5.067 -0.000 -9.784) 11.018 3.701 ( 14.994 0.000 4.458) 15.643 3.790 ( -4.047 -0.000 1.512) 4.320 3.874 ( 3.823 0.000 -1.517) 4.113 3.897 ( 0.538 0.000 5.253) 5.280 3.939 ( -0.839 -0.000 -5.832) 5.892 4.180 ( -2.059 -0.000 -1.846) 2.765 4.219 ( 2.716 0.000 0.210) 2.724 4.480 ( -6.069 -0.000 2.595) 6.601 4.621 ( 5.252 0.000 -3.310) 6.208 4.972 ( -1.800 -0.000 2.021) 2.707 4.996 ( 0.075 0.000 -0.880) 0.883 5.767 ( -5.480 -0.000 -7.142) 9.001 5.791 ( 4.383 0.000 6.960) 8.225 6.241 ( -0.652 -0.000 4.284) 4.333 6.306 ( 1.223 0.000 -4.302) 4.473 6.409 ( -2.312 -0.000 1.053) 2.541 6.455 ( 2.706 0.000 2.016) 3.374 7.008 ( 1.513 0.000 -1.097) 1.869 7.013 ( 3.319 0.000 0.611) 3.375 8.078 ( -0.485 -0.000 0.740) 0.885 8.106 ( 0.984 0.000 -1.660) 1.930 8.341 ( -2.255 -0.000 -0.228) 2.267 8.402 ( 4.140 0.000 -0.375) 4.157 12.794 ( -0.999 -0.000 0.278) 1.037 12.820 ( 1.008 0.000 -0.823) 1.302 13.536 ( -0.413 -0.000 0.559) 0.695 13.548 ( 0.415 0.000 -0.194) 0.458 23.313 ( -0.187 -0.000 7.743) 7.745 23.346 ( -4.687 -0.000 -7.914) 9.198 24.588 ( -8.407 -0.000 7.937) 11.562 24.806 ( 6.544 0.000 -7.659) 10.074 ======================= Grid point 296 (152/160) ======================= q-point: (-0.33 -0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( -5.888 5.264 -3.354) 8.581 1.373 ( 3.251 2.420 11.878) 12.550 1.794 ( -16.511 -3.239 6.298) 17.966 2.131 ( -18.048 -5.834 -4.680) 19.537 2.371 ( 10.248 -1.760 -6.359) 12.188 2.681 ( 1.286 -2.988 -1.205) 3.469 2.724 ( -11.089 -3.029 8.923) 14.552 2.991 ( -3.378 5.413 8.608) 10.715 3.029 ( -10.660 1.620 -7.205) 12.968 3.186 ( 10.763 -1.180 -2.651) 11.147 3.455 ( 3.443 1.241 -7.570) 8.408 3.703 ( -4.136 2.033 0.679) 4.659 3.812 ( 6.039 7.153 1.857) 9.544 3.844 ( 2.845 0.759 3.074) 4.257 3.959 ( -0.351 -2.707 -1.092) 2.940 3.978 ( 2.933 -4.178 0.437) 5.124 4.172 ( -1.602 -1.813 -2.071) 3.184 4.249 ( 2.125 -0.208 1.661) 2.705 4.497 ( -3.828 -5.577 3.724) 7.721 4.688 ( 4.031 -3.205 -1.576) 5.386 4.948 ( -2.179 0.992 1.290) 2.719 4.979 ( 1.428 1.193 -1.771) 2.569 5.667 ( -6.711 0.399 -7.518) 10.085 5.865 ( 4.039 -0.151 5.987) 7.224 6.247 ( -0.906 0.665 3.500) 3.676 6.279 ( -0.750 2.330 -2.955) 3.837 6.369 ( -0.951 1.741 -1.650) 2.580 6.497 ( 4.706 0.612 2.065) 5.175 7.018 ( 2.779 0.770 -0.027) 2.883 7.092 ( 6.447 -2.194 2.452) 7.238 8.067 ( -0.423 2.397 -0.889) 2.591 8.079 ( 0.160 1.173 -0.300) 1.222 8.320 ( -1.433 0.222 -0.674) 1.599 8.442 ( 4.482 -0.078 -0.753) 4.546 12.789 ( -1.049 -0.336 0.078) 1.104 12.829 ( 0.621 -0.593 -0.899) 1.244 13.535 ( -0.390 0.043 0.441) 0.591 13.550 ( 0.372 0.019 -0.352) 0.513 23.260 ( -6.728 -0.798 -7.026) 9.761 23.376 ( -1.245 -4.107 7.352) 8.513 24.540 ( -9.508 -0.504 5.727) 11.111 24.804 ( 3.742 0.968 -9.651) 10.396 ======================= Grid point 297 (153/160) ======================= q-point: (-0.22 -0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.044 ( -4.966 1.517 -1.110) 5.310 1.406 ( 3.872 4.015 9.420) 10.948 1.773 ( -15.927 -7.876 9.525) 20.160 2.073 ( -16.414 -8.434 -1.597) 18.523 2.436 ( 6.712 1.276 -4.013) 7.924 2.669 ( -7.239 -1.180 -0.758) 7.373 2.755 ( -7.671 -6.664 -0.176) 10.163 2.900 ( -4.252 1.475 -3.386) 5.632 2.907 ( 0.085 4.893 4.993) 6.991 3.296 ( 8.985 -2.017 -3.326) 9.791 3.446 ( 3.895 1.954 -3.297) 5.464 3.589 ( -6.794 2.478 -6.048) 9.427 3.804 ( 2.417 -0.211 5.132) 5.677 3.874 ( 4.962 2.926 4.865) 7.540 4.003 ( -0.087 -2.885 -0.120) 2.889 4.058 ( 1.309 -2.503 1.672) 3.282 4.181 ( -1.800 -3.097 -3.104) 4.740 4.287 ( 1.922 -0.491 4.498) 4.916 4.574 ( -1.774 -2.750 0.921) 3.399 4.744 ( -1.078 -1.267 2.432) 2.947 4.924 ( -0.679 0.141 -0.688) 0.977 5.003 ( 6.814 -0.708 -2.655) 7.347 5.566 ( -6.748 -1.064 -7.417) 10.084 5.931 ( 3.579 -0.113 4.838) 6.018 6.173 ( -4.385 4.943 -1.211) 6.718 6.237 ( -1.286 1.113 2.731) 3.217 6.344 ( 1.948 0.670 -3.517) 4.076 6.525 ( 4.701 2.663 0.751) 5.455 7.031 ( 3.586 1.650 0.768) 4.021 7.213 ( 6.869 -2.217 4.075) 8.289 7.991 ( -1.507 3.324 -0.749) 3.726 8.084 ( 1.563 0.108 0.629) 1.688 8.290 ( -0.887 1.547 -1.691) 2.458 8.474 ( 3.486 0.392 -0.983) 3.643 12.784 ( -0.995 -0.205 -0.045) 1.017 12.839 ( 0.155 -0.593 -0.870) 1.064 13.532 ( -0.455 0.074 0.444) 0.640 13.551 ( 0.289 0.073 -0.472) 0.559 23.183 ( -6.863 -1.818 -5.945) 9.260 23.505 ( 0.150 -7.392 6.864) 10.089 24.480 ( -8.985 -0.284 2.175) 9.249 24.753 ( -0.319 1.064 -8.927) 8.996 ======================= Grid point 298 (154/160) ======================= q-point: (-0.11 -0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( -0.246 -3.729 0.410) 3.760 1.402 ( 3.020 4.059 3.758) 6.303 1.846 ( -12.074 -10.060 10.426) 18.860 2.088 ( -12.059 -9.256 2.150) 15.353 2.453 ( 5.497 0.200 -0.424) 5.517 2.590 ( -5.320 0.947 -4.010) 6.729 2.735 ( -3.193 4.638 5.379) 7.787 2.872 ( -2.322 -2.788 1.331) 3.865 2.924 ( 1.312 -3.447 -5.625) 6.726 3.308 ( -5.778 3.861 -7.556) 10.266 3.407 ( 6.186 0.016 -2.635) 6.724 3.561 ( 3.635 -1.451 0.058) 3.914 3.861 ( -2.066 -2.622 3.585) 4.898 3.887 ( 3.866 2.463 2.217) 5.092 4.041 ( 1.343 -1.408 -0.958) 2.169 4.123 ( -1.048 -3.213 3.122) 4.601 4.218 ( -0.823 -4.034 -1.610) 4.420 4.350 ( 2.723 -0.756 6.564) 7.146 4.545 ( -2.207 1.829 -1.301) 3.148 4.732 ( -3.519 1.273 -0.980) 3.869 4.932 ( 0.012 -1.700 -1.698) 2.403 5.067 ( 7.633 1.255 -0.370) 7.745 5.514 ( -4.541 -2.966 -6.074) 8.144 5.984 ( 2.653 -0.211 3.232) 4.187 6.057 ( -3.856 2.976 0.331) 4.882 6.215 ( -1.441 1.303 2.428) 3.110 6.334 ( 2.060 0.962 -3.473) 4.151 6.500 ( 2.369 3.954 -0.805) 4.679 7.035 ( 3.283 2.245 0.935) 4.085 7.324 ( 5.113 -1.283 4.237) 6.763 7.938 ( -0.242 1.716 -0.141) 1.739 8.105 ( 2.043 -0.053 0.911) 2.237 8.233 ( -1.420 2.477 -2.376) 3.715 8.483 ( 1.491 0.781 -0.735) 1.837 12.779 ( -0.604 -0.206 -0.005) 0.638 12.841 ( -0.219 -0.104 -0.746) 0.784 13.529 ( -0.518 -0.005 0.583) 0.780 13.549 ( 0.217 0.141 -0.505) 0.568 23.138 ( -4.458 -2.171 -3.882) 6.297 23.683 ( 2.724 -7.858 5.421) 9.928 24.395 ( -7.150 1.237 -2.226) 7.590 24.695 ( -3.192 -0.773 -4.729) 5.757 ======================= Grid point 305 (155/160) ======================= q-point: (-0.33 -0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( -7.376 -0.000 -3.208) 8.043 1.484 ( -2.240 -0.000 18.440) 18.575 1.656 ( -14.052 -0.000 7.930) 16.136 1.833 ( -17.352 -0.000 -9.512) 19.788 2.470 ( 12.498 0.000 -1.101) 12.546 2.624 ( -12.528 -0.000 10.155) 16.127 2.626 ( -3.911 -0.000 -6.464) 7.555 2.848 ( -15.422 -0.000 -8.006) 17.377 3.109 ( 2.609 0.000 12.641) 12.908 3.271 ( 9.194 0.000 -1.516) 9.319 3.453 ( 2.769 0.000 -5.948) 6.561 3.705 ( -5.417 -0.000 -1.964) 5.762 3.852 ( -0.171 -0.000 -2.455) 2.461 3.870 ( 1.360 0.000 -5.427) 5.594 3.955 ( 1.650 0.000 1.655) 2.337 4.020 ( 7.791 0.000 3.101) 8.386 4.129 ( -1.813 -0.000 -2.175) 2.831 4.294 ( 3.080 0.000 5.896) 6.652 4.421 ( -4.110 -0.000 5.494) 6.861 4.688 ( 3.021 0.000 0.419) 3.050 4.929 ( -4.702 -0.000 1.639) 4.980 4.982 ( 1.061 0.000 -4.105) 4.240 5.563 ( -7.287 -0.000 -8.534) 11.222 5.932 ( 3.968 0.000 5.648) 6.903 6.255 ( -1.798 -0.000 2.514) 3.091 6.286 ( -0.637 -0.000 -2.431) 2.513 6.362 ( -0.900 -0.000 -3.055) 3.185 6.552 ( 5.032 0.000 -0.024) 5.032 7.079 ( 5.784 0.000 3.680) 6.856 7.173 ( 10.893 0.000 4.329) 11.722 8.087 ( 1.329 0.000 0.516) 1.426 8.091 ( -0.183 -0.000 -2.204) 2.212 8.302 ( -1.663 -0.000 -0.274) 1.686 8.475 ( 4.015 0.000 -1.499) 4.286 12.778 ( -0.734 -0.000 0.089) 0.740 12.822 ( 0.240 0.000 -1.101) 1.126 13.534 ( -0.257 -0.000 0.284) 0.383 13.552 ( 0.328 0.000 -0.537) 0.630 23.156 ( -7.120 -0.000 -6.307) 9.512 23.337 ( -5.122 -0.000 7.005) 8.678 24.462 ( -11.095 -0.000 4.664) 12.035 24.776 ( 0.605 0.000 -13.673) 13.686 ======================= Grid point 306 (156/160) ======================= q-point: (-0.22 -0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( -8.781 3.212 0.089) 9.351 1.526 ( -9.530 -2.839 19.379) 21.781 1.584 ( -11.386 -1.328 6.478) 13.167 1.766 ( -7.255 -6.246 -2.274) 9.840 2.541 ( -2.015 1.289 3.180) 3.979 2.556 ( -4.930 -1.586 -4.873) 7.111 2.604 ( 0.096 -1.634 1.287) 2.082 2.703 ( -11.567 -4.895 -7.691) 14.728 3.124 ( 1.303 7.984 10.742) 13.448 3.341 ( 7.654 -0.324 -2.072) 7.936 3.480 ( 2.748 -2.595 -2.985) 4.817 3.569 ( -4.503 6.020 -3.261) 8.195 3.835 ( 2.374 1.445 -0.239) 2.790 3.895 ( -1.990 -4.829 -3.960) 6.555 4.028 ( 2.830 -2.749 -0.953) 4.059 4.038 ( 2.936 3.017 3.241) 5.313 4.107 ( -2.229 -1.613 -1.770) 3.272 4.329 ( 1.310 1.004 5.886) 6.113 4.499 ( -1.136 -5.809 4.733) 7.579 4.723 ( -1.675 -1.006 1.343) 2.371 4.894 ( -4.582 -0.936 0.613) 4.716 4.990 ( 2.984 -2.795 -6.640) 7.798 5.458 ( -5.355 -0.107 -6.966) 8.787 5.991 ( 3.648 0.376 4.308) 5.658 6.208 ( -3.985 4.215 -1.492) 5.990 6.248 ( -2.407 0.553 2.218) 3.320 6.348 ( 1.995 -0.053 -4.308) 4.748 6.578 ( 2.017 0.286 -3.711) 4.233 7.160 ( 10.333 3.258 6.765) 12.773 7.312 ( 11.867 0.335 6.208) 13.397 8.041 ( -0.353 3.676 -0.851) 3.790 8.109 ( 2.632 0.138 0.882) 2.780 8.289 ( -1.211 0.075 -1.036) 1.596 8.499 ( 2.672 0.079 -1.913) 3.287 12.774 ( -0.430 -0.090 -0.007) 0.440 12.823 ( -0.093 -0.592 -1.003) 1.168 13.532 ( -0.284 0.131 0.240) 0.394 13.551 ( 0.253 0.022 -0.682) 0.727 23.067 ( -6.621 -0.999 -4.743) 8.205 23.380 ( -5.081 -7.488 5.520) 10.600 24.382 ( -11.076 -1.029 2.547) 11.412 24.682 ( -4.660 0.123 -14.669) 15.391 ======================= Grid point 307 (157/160) ======================= q-point: (-0.11 -0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( -0.687 -3.898 2.634) 4.755 1.515 ( -4.248 3.362 4.918) 7.317 1.650 ( -8.611 -9.914 18.649) 22.808 1.818 ( -7.708 -8.047 3.118) 11.572 2.482 ( -5.965 -2.560 -8.312) 10.546 2.538 ( -2.629 0.531 8.311) 8.733 2.620 ( -4.099 -5.772 -3.918) 8.091 2.763 ( 0.776 -7.827 -4.702) 9.164 3.016 ( -0.068 9.473 8.030) 12.419 3.333 ( -1.994 5.714 -3.330) 6.907 3.473 ( 6.116 2.129 -2.201) 6.839 3.551 ( 2.901 -3.363 -0.486) 4.468 3.853 ( 2.100 0.119 0.865) 2.275 3.912 ( -2.444 -1.244 -5.105) 5.795 4.034 ( 0.622 -0.635 3.969) 4.067 4.087 ( 0.140 -2.341 2.291) 3.279 4.149 ( 1.459 -3.530 -0.498) 3.852 4.372 ( 1.213 -1.497 5.025) 5.382 4.539 ( -3.267 0.674 -0.010) 3.336 4.691 ( -6.117 -0.052 -0.914) 6.185 4.882 ( -2.501 -1.920 -1.912) 3.688 5.054 ( 1.158 -5.706 -9.648) 11.269 5.427 ( 0.717 -1.493 -0.518) 1.735 6.026 ( 1.994 0.888 1.844) 2.857 6.086 ( -3.238 4.107 -0.193) 5.233 6.229 ( -2.257 0.557 3.025) 3.815 6.348 ( 2.217 0.282 -3.918) 4.510 6.539 ( -1.675 1.534 -5.902) 6.323 7.203 ( 10.589 7.668 6.365) 14.541 7.430 ( 9.998 2.268 6.734) 12.266 7.985 ( 1.268 2.995 0.482) 3.288 8.139 ( 3.192 0.448 1.381) 3.507 8.249 ( -1.718 2.185 -2.210) 3.551 8.500 ( 0.598 0.694 -1.603) 1.846 12.772 ( -0.148 -0.048 -0.060) 0.167 12.826 ( -0.448 -0.563 -0.818) 1.090 13.527 ( -0.466 0.105 0.420) 0.636 13.549 ( 0.186 0.043 -0.726) 0.751 23.035 ( -3.606 -3.342 -2.541) 5.534 23.541 ( -1.291 -11.985 2.681) 12.349 24.306 ( -9.433 -0.986 -1.596) 9.618 24.570 ( -8.922 -2.902 -9.193) 13.135 ======================= Grid point 315 (158/160) ======================= q-point: (-0.22 -0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( -10.457 -0.000 4.021) 11.204 1.321 ( -19.840 -0.000 10.176) 22.297 1.550 ( -7.570 -0.000 10.562) 12.994 1.789 ( 3.180 0.000 13.019) 13.401 2.420 ( -6.514 -0.000 -11.145) 12.909 2.485 ( -19.149 -0.000 6.963) 20.375 2.506 ( -3.963 -0.000 -9.625) 10.409 2.717 ( 12.979 0.000 0.830) 13.006 3.262 ( -0.697 -0.000 9.844) 9.869 3.409 ( 7.300 0.000 -0.569) 7.322 3.426 ( -2.541 -0.000 -0.704) 2.637 3.603 ( 0.106 0.000 -2.211) 2.214 3.782 ( -3.450 -0.000 -4.635) 5.778 3.905 ( 6.309 0.000 -3.265) 7.104 3.969 ( -3.002 -0.000 2.532) 3.927 4.061 ( -3.430 -0.000 -0.518) 3.469 4.110 ( 5.506 0.000 -4.754) 7.274 4.413 ( 0.378 0.000 7.167) 7.177 4.425 ( -2.008 -0.000 5.905) 6.237 4.685 ( -5.803 -0.000 -0.537) 5.827 4.822 ( -8.285 -0.000 1.621) 8.442 4.931 ( -0.026 -0.000 -11.953) 11.953 5.409 ( 1.036 0.000 -2.137) 2.374 6.049 ( 3.476 0.000 2.974) 4.575 6.211 ( -4.298 -0.000 -1.364) 4.510 6.221 ( -3.730 -0.000 1.588) 4.054 6.346 ( 2.605 0.000 -4.778) 5.442 6.537 ( -3.880 -0.000 -7.597) 8.530 7.386 ( 19.339 0.000 10.521) 22.016 7.482 ( 14.082 0.000 7.450) 15.931 8.076 ( 0.698 0.000 -0.884) 1.126 8.148 ( 3.955 0.000 1.601) 4.267 8.268 ( -1.905 -0.000 -0.058) 1.906 8.510 ( 1.450 0.000 -2.115) 2.565 12.772 ( 0.066 0.000 0.147) 0.161 12.813 ( 0.105 0.000 -0.849) 0.855 13.532 ( -0.175 -0.000 0.057) 0.184 13.550 ( 0.199 0.000 -0.856) 0.879 22.979 ( -5.512 -0.000 -3.775) 6.681 23.258 ( -8.945 -0.000 4.494) 10.011 24.273 ( -11.926 -0.000 2.193) 12.126 24.525 ( -10.716 -0.000 -17.567) 20.577 ======================= Grid point 316 (159/160) ======================= q-point: (-0.11 -0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.937 ( -2.140 -3.085 8.214) 9.032 1.342 ( -13.359 -12.243 7.810) 19.732 1.535 ( -7.577 -0.608 12.963) 15.027 1.868 ( 3.987 3.060 14.838) 15.666 2.328 ( -4.324 -2.652 -13.086) 14.035 2.404 ( -15.288 -7.945 4.865) 17.903 2.434 ( -7.381 -3.259 -4.609) 9.292 2.823 ( 12.836 2.783 1.151) 13.184 3.196 ( -2.497 8.100 6.557) 10.716 3.401 ( -0.278 3.224 1.111) 3.421 3.505 ( 3.607 -4.118 0.298) 5.483 3.567 ( 4.411 3.416 -1.963) 5.914 3.779 ( -4.703 -5.088 -5.817) 9.047 3.899 ( 2.205 1.552 -0.108) 2.698 4.021 ( -2.857 -2.892 -0.164) 4.069 4.046 ( 0.188 -2.225 3.353) 4.028 4.147 ( 6.557 -0.658 -2.877) 7.190 4.397 ( 0.135 0.748 5.115) 5.171 4.496 ( -3.972 -2.110 1.657) 4.793 4.602 ( -9.681 -0.808 -3.116) 10.202 4.782 ( -8.099 -4.292 1.037) 9.224 4.877 ( -1.189 -3.515 -16.418) 16.832 5.462 ( 7.028 -0.667 3.967) 8.098 6.072 ( 1.591 1.641 0.243) 2.299 6.116 ( -3.790 3.652 -1.078) 5.373 6.216 ( -2.928 -1.123 3.304) 4.555 6.345 ( 1.650 -0.064 -4.626) 4.912 6.457 ( -6.836 -1.609 -8.042) 10.677 7.539 ( 17.967 9.916 8.068) 22.051 7.636 ( 14.216 3.137 7.872) 16.550 8.056 ( 1.956 2.745 0.668) 3.436 8.194 ( 4.355 0.661 2.143) 4.899 8.247 ( -2.014 0.695 -0.953) 2.334 8.503 ( -0.181 0.489 -1.708) 1.786 12.775 ( 0.429 0.139 0.129) 0.469 12.813 ( 0.018 -0.167 -0.589) 0.613 13.528 ( -0.393 0.210 0.199) 0.488 13.547 ( 0.151 -0.008 -0.923) 0.936 22.941 ( -2.547 -2.600 -1.790) 4.056 23.301 ( -6.503 -11.952 1.114) 13.652 24.180 ( -11.010 -1.164 -0.718) 11.095 24.347 ( -14.275 -3.644 -11.665) 18.791 ======================= Grid point 325 (160/160) ======================= q-point: (-0.11 -0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( -1.437 -0.000 11.668) 11.756 1.173 ( -7.179 -0.000 10.658) 12.851 1.540 ( -5.919 -0.000 12.612) 13.932 1.987 ( -2.842 -0.000 7.481) 8.002 2.196 ( -7.664 -0.000 -0.721) 7.698 2.212 ( 0.150 0.000 -15.791) 15.792 2.324 ( -10.411 -0.000 10.319) 14.658 2.986 ( 12.744 0.000 2.127) 12.920 3.274 ( -4.988 -0.000 5.186) 7.195 3.430 ( 3.453 0.000 2.725) 4.398 3.499 ( 0.291 0.000 -3.424) 3.436 3.636 ( -4.250 -0.000 -5.213) 6.726 3.657 ( 5.222 0.000 -1.159) 5.349 3.883 ( -8.560 -0.000 2.111) 8.817 3.970 ( 0.012 0.000 -2.347) 2.347 4.076 ( 7.313 0.000 3.629) 8.164 4.190 ( 7.368 0.000 -5.389) 9.128 4.411 ( -8.406 -0.000 -2.550) 8.784 4.445 ( -1.761 -0.000 5.251) 5.539 4.468 ( -7.495 -0.000 0.431) 7.507 4.653 ( -10.839 -0.000 1.551) 10.949 4.771 ( 0.660 0.000 -16.786) 16.799 5.563 ( 9.368 0.000 6.270) 11.273 6.079 ( -2.077 -0.000 -3.275) 3.878 6.128 ( -2.926 -0.000 -0.653) 2.998 6.185 ( -1.263 -0.000 3.858) 4.060 6.314 ( -10.002 -0.000 -5.223) 11.283 6.345 ( 2.150 0.000 -4.889) 5.341 7.801 ( 9.779 0.000 8.380) 12.878 7.895 ( 22.468 0.000 1.412) 22.513 8.104 ( 1.981 0.000 0.544) 2.055 8.221 ( -2.320 -0.000 -0.196) 2.328 8.267 ( 4.750 0.000 3.836) 6.105 8.497 ( -0.456 -0.000 -1.272) 1.351 12.783 ( 0.689 0.000 0.406) 0.799 12.815 ( 0.613 0.000 -0.485) 0.782 13.527 ( -0.501 -0.000 0.143) 0.521 13.543 ( 0.130 0.000 -1.007) 1.016 22.895 ( -0.251 -0.000 -1.272) 1.297 23.105 ( -9.594 -0.000 1.505) 9.711 24.071 ( -9.878 -0.000 0.156) 9.879 24.106 ( -15.000 -0.000 -8.616) 17.298 =================== 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 3/23814 10.0 58.336 52.149 64.417 0.000 4.014 0.000 3/23814 20.0 9.765 9.946 13.776 0.000 2.492 0.000 3/23814 30.0 4.410 4.559 6.528 0.000 1.241 0.000 3/23814 40.0 2.803 2.816 4.215 0.000 0.789 0.000 3/23814 50.0 2.090 2.030 3.155 0.000 0.578 0.000 3/23814 60.0 1.691 1.596 2.552 0.000 0.460 0.000 3/23814 70.0 1.433 1.322 2.158 0.000 0.385 0.000 3/23814 80.0 1.251 1.133 1.877 0.000 0.332 0.000 3/23814 90.0 1.114 0.994 1.664 0.000 0.293 0.000 3/23814 100.0 1.006 0.887 1.497 0.000 0.262 0.000 3/23814 110.0 0.918 0.802 1.361 0.000 0.238 0.000 3/23814 120.0 0.845 0.733 1.249 0.000 0.218 0.000 3/23814 130.0 0.783 0.675 1.154 0.000 0.201 0.000 3/23814 140.0 0.730 0.626 1.073 0.000 0.187 0.000 3/23814 150.0 0.684 0.583 1.002 0.000 0.175 0.000 3/23814 160.0 0.643 0.547 0.941 0.000 0.164 0.000 3/23814 170.0 0.607 0.515 0.887 0.000 0.154 0.000 3/23814 180.0 0.575 0.486 0.838 0.000 0.146 0.000 3/23814 190.0 0.547 0.461 0.795 0.000 0.139 0.000 3/23814 200.0 0.521 0.438 0.756 0.000 0.132 0.000 3/23814 210.0 0.498 0.417 0.721 0.000 0.126 0.000 3/23814 220.0 0.477 0.399 0.689 0.000 0.120 0.000 3/23814 230.0 0.457 0.382 0.660 0.000 0.115 0.000 3/23814 240.0 0.440 0.366 0.633 0.000 0.111 0.000 3/23814 250.0 0.423 0.352 0.608 0.000 0.106 0.000 3/23814 260.0 0.408 0.339 0.586 0.000 0.103 0.000 3/23814 270.0 0.394 0.327 0.565 0.000 0.099 0.000 3/23814 280.0 0.381 0.315 0.545 0.000 0.096 0.000 3/23814 290.0 0.369 0.305 0.527 0.000 0.093 0.000 3/23814 300.0 0.358 0.295 0.510 0.000 0.090 0.000 3/23814 310.0 0.348 0.286 0.494 0.000 0.087 0.000 3/23814 320.0 0.338 0.278 0.479 0.000 0.084 0.000 3/23814 330.0 0.328 0.270 0.466 0.000 0.082 0.000 3/23814 340.0 0.320 0.262 0.452 0.000 0.080 0.000 3/23814 350.0 0.311 0.255 0.440 0.000 0.078 0.000 3/23814 360.0 0.304 0.248 0.428 0.000 0.076 0.000 3/23814 370.0 0.296 0.242 0.417 0.000 0.074 0.000 3/23814 380.0 0.289 0.236 0.407 0.000 0.072 0.000 3/23814 390.0 0.283 0.230 0.397 0.000 0.070 0.000 3/23814 400.0 0.276 0.225 0.387 0.000 0.069 0.000 3/23814 410.0 0.270 0.220 0.378 0.000 0.067 0.000 3/23814 420.0 0.265 0.215 0.370 0.000 0.066 0.000 3/23814 430.0 0.259 0.210 0.362 0.000 0.064 0.000 3/23814 440.0 0.254 0.206 0.354 0.000 0.063 0.000 3/23814 450.0 0.249 0.201 0.346 0.000 0.062 0.000 3/23814 460.0 0.244 0.197 0.339 0.000 0.061 0.000 3/23814 470.0 0.240 0.193 0.332 0.000 0.060 0.000 3/23814 480.0 0.235 0.190 0.326 0.000 0.058 0.000 3/23814 490.0 0.231 0.186 0.319 0.000 0.057 0.000 3/23814 500.0 0.227 0.182 0.313 0.000 0.056 0.000 3/23814 510.0 0.223 0.179 0.307 0.000 0.055 0.000 3/23814 520.0 0.219 0.176 0.302 0.000 0.054 0.000 3/23814 530.0 0.216 0.173 0.296 0.000 0.053 0.000 3/23814 540.0 0.212 0.170 0.291 0.000 0.053 0.000 3/23814 550.0 0.209 0.167 0.286 0.000 0.052 0.000 3/23814 560.0 0.206 0.164 0.281 0.000 0.051 0.000 3/23814 570.0 0.203 0.162 0.277 0.000 0.050 0.000 3/23814 580.0 0.199 0.159 0.272 0.000 0.049 0.000 3/23814 590.0 0.197 0.157 0.268 0.000 0.049 0.000 3/23814 600.0 0.194 0.154 0.264 0.000 0.048 0.000 3/23814 610.0 0.191 0.152 0.260 0.000 0.047 0.000 3/23814 620.0 0.188 0.149 0.256 0.000 0.046 0.000 3/23814 630.0 0.186 0.147 0.252 0.000 0.046 0.000 3/23814 640.0 0.183 0.145 0.248 0.000 0.045 0.000 3/23814 650.0 0.181 0.143 0.244 0.000 0.045 0.000 3/23814 660.0 0.178 0.141 0.241 0.000 0.044 0.000 3/23814 670.0 0.176 0.139 0.238 0.000 0.043 0.000 3/23814 680.0 0.174 0.137 0.234 0.000 0.043 0.000 3/23814 690.0 0.172 0.135 0.231 0.000 0.042 0.000 3/23814 700.0 0.169 0.134 0.228 0.000 0.042 0.000 3/23814 710.0 0.167 0.132 0.225 0.000 0.041 0.000 3/23814 720.0 0.165 0.130 0.222 0.000 0.041 0.000 3/23814 730.0 0.163 0.129 0.219 0.000 0.040 0.000 3/23814 740.0 0.161 0.127 0.216 0.000 0.040 0.000 3/23814 750.0 0.160 0.125 0.214 0.000 0.039 0.000 3/23814 760.0 0.158 0.124 0.211 0.000 0.039 0.000 3/23814 770.0 0.156 0.122 0.208 0.000 0.038 0.000 3/23814 780.0 0.154 0.121 0.206 0.000 0.038 0.000 3/23814 790.0 0.153 0.120 0.203 0.000 0.038 0.000 3/23814 800.0 0.151 0.118 0.201 0.000 0.037 0.000 3/23814 810.0 0.149 0.117 0.199 0.000 0.037 0.000 3/23814 820.0 0.148 0.116 0.196 0.000 0.036 0.000 3/23814 830.0 0.146 0.114 0.194 0.000 0.036 0.000 3/23814 840.0 0.145 0.113 0.192 0.000 0.036 0.000 3/23814 850.0 0.143 0.112 0.190 0.000 0.035 0.000 3/23814 860.0 0.142 0.111 0.188 0.000 0.035 0.000 3/23814 870.0 0.140 0.109 0.186 0.000 0.035 0.000 3/23814 880.0 0.139 0.108 0.184 0.000 0.034 0.000 3/23814 890.0 0.138 0.107 0.182 0.000 0.034 0.000 3/23814 900.0 0.136 0.106 0.180 0.000 0.034 0.000 3/23814 910.0 0.135 0.105 0.178 0.000 0.033 0.000 3/23814 920.0 0.134 0.104 0.176 0.000 0.033 0.000 3/23814 930.0 0.133 0.103 0.174 0.000 0.033 0.000 3/23814 940.0 0.131 0.102 0.173 0.000 0.032 0.000 3/23814 950.0 0.130 0.101 0.171 0.000 0.032 0.000 3/23814 960.0 0.129 0.100 0.169 0.000 0.032 0.000 3/23814 970.0 0.128 0.099 0.168 0.000 0.031 0.000 3/23814 980.0 0.127 0.098 0.166 0.000 0.031 0.000 3/23814 990.0 0.126 0.097 0.164 0.000 0.031 0.000 3/23814 1000.0 0.125 0.096 0.163 0.000 0.031 0.000 3/23814 Thermal conductivity related properties were written into "kappa-m997.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 08:32:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|