----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:44:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.509174720000371 0.000000000000000 0.000000000000000 b 0.000000000000000 5.972518560000000 0.000000000000000 c -2.441466211591306 0.000000000000000 6.987277054822722 Atomic positions (fractional): *1 Li 0.65674224519493 0.25000000000000 0.35887413447312 6.941 2 Li 0.34325775480507 0.75000000000000 0.64112586552688 6.941 *3 N 0.53108313072211 0.49418756553587 0.73569204761365 14.007 4 N 0.46891686927789 0.99418756553587 0.26430795238635 14.007 5 N 0.46891686927789 0.50581243446413 0.26430795238635 14.007 6 N 0.53108313072211 0.00581243446413 0.73569204761365 14.007 *7 N 0.88209006016119 0.25000000000000 0.63212358433928 14.007 8 N 0.11790993983881 0.75000000000000 0.36787641566072 14.007 *9 N 0.87442950688020 0.25000000000000 0.03881000900527 14.007 10 N 0.12557049311980 0.75000000000000 0.96118999099473 14.007 *11 Ba 0.73559855403616 0.75000000000000 0.05552659552109 137.327 12 Ba 0.26440144596384 0.25000000000000 0.94447340447891 137.327 *13 Ba 0.19467859552907 0.25000000000000 0.42327292607717 137.327 14 Ba 0.80532140447093 0.75000000000000 0.57672707392283 137.327 *15 Re 0.29140185978272 0.75000000000000 0.21281205822019 186.207 16 Re 0.70859814021728 0.25000000000000 0.78718794177981 186.207 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.509174720000371 0.000000000000000 0.000000000000000 b 0.000000000000000 5.972518560000000 0.000000000000000 c -2.441466211591306 0.000000000000000 6.987277054822722 Atomic positions (fractional): *1 Li 0.65674224519493 0.25000000000000 0.35887413447312 6.941 > 1 2 Li 0.34325775480507 0.75000000000000 0.64112586552688 6.941 > 2 *3 N 0.53108313072211 0.49418756553587 0.73569204761365 14.007 > 3 4 N 0.46891686927789 0.99418756553587 0.26430795238635 14.007 > 4 5 N 0.46891686927789 0.50581243446413 0.26430795238635 14.007 > 5 6 N 0.53108313072211 0.00581243446413 0.73569204761365 14.007 > 6 *7 N 0.88209006016119 0.25000000000000 0.63212358433928 14.007 > 7 8 N 0.11790993983881 0.75000000000000 0.36787641566072 14.007 > 8 *9 N 0.87442950688020 0.25000000000000 0.03881000900527 14.007 > 9 10 N 0.12557049311980 0.75000000000000 0.96118999099473 14.007 > 10 *11 Ba 0.73559855403616 0.75000000000000 0.05552659552109 137.327 > 11 12 Ba 0.26440144596384 0.25000000000000 0.94447340447891 137.327 > 12 *13 Ba 0.19467859552907 0.25000000000000 0.42327292607717 137.327 > 13 14 Ba 0.80532140447093 0.75000000000000 0.57672707392283 137.327 > 14 *15 Re 0.29140185978272 0.75000000000000 0.21281205822019 186.207 > 15 16 Re 0.70859814021728 0.25000000000000 0.78718794177981 186.207 > 16 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.018349440000742 0.000000000000000 0.000000000000000 b 0.000000000000000 11.945037120000000 0.000000000000000 c -4.882932423182612 0.000000000000000 13.974554109645444 Atomic positions (fractional): *1 Li 0.32837112259747 0.12500000000000 0.17943706723656 6.941 > 1 2 Li 0.82837112259747 0.12500000000000 0.17943706723656 6.941 > 1 3 Li 0.32837112259747 0.62500000000000 0.17943706723656 6.941 > 1 4 Li 0.82837112259747 0.62500000000000 0.17943706723656 6.941 > 1 5 Li 0.32837112259747 0.12500000000000 0.67943706723656 6.941 > 1 6 Li 0.82837112259747 0.12500000000000 0.67943706723656 6.941 > 1 7 Li 0.32837112259747 0.62500000000000 0.67943706723656 6.941 > 1 8 Li 0.82837112259747 0.62500000000000 0.67943706723656 6.941 > 1 9 Li 0.17162887740253 0.37500000000000 0.32056293276344 6.941 > 2 10 Li 0.67162887740253 0.37500000000000 0.32056293276344 6.941 > 2 11 Li 0.17162887740253 0.87500000000000 0.32056293276344 6.941 > 2 12 Li 0.67162887740253 0.87500000000000 0.32056293276344 6.941 > 2 13 Li 0.17162887740253 0.37500000000000 0.82056293276344 6.941 > 2 14 Li 0.67162887740253 0.37500000000000 0.82056293276344 6.941 > 2 15 Li 0.17162887740253 0.87500000000000 0.82056293276344 6.941 > 2 16 Li 0.67162887740253 0.87500000000000 0.82056293276344 6.941 > 2 *17 N 0.26554156536105 0.24709378276793 0.36784602380683 14.007 > 3 18 N 0.76554156536105 0.24709378276793 0.36784602380683 14.007 > 3 19 N 0.26554156536105 0.74709378276793 0.36784602380683 14.007 > 3 20 N 0.76554156536105 0.74709378276793 0.36784602380683 14.007 > 3 21 N 0.26554156536105 0.24709378276793 0.86784602380683 14.007 > 3 22 N 0.76554156536105 0.24709378276793 0.86784602380683 14.007 > 3 23 N 0.26554156536105 0.74709378276793 0.86784602380683 14.007 > 3 24 N 0.76554156536105 0.74709378276793 0.86784602380683 14.007 > 3 25 N 0.23445843463895 0.49709378276793 0.13215397619317 14.007 > 4 26 N 0.73445843463895 0.49709378276793 0.13215397619317 14.007 > 4 27 N 0.23445843463895 0.99709378276793 0.13215397619317 14.007 > 4 28 N 0.73445843463895 0.99709378276793 0.13215397619317 14.007 > 4 29 N 0.23445843463895 0.49709378276793 0.63215397619317 14.007 > 4 30 N 0.73445843463895 0.49709378276793 0.63215397619317 14.007 > 4 31 N 0.23445843463895 0.99709378276793 0.63215397619317 14.007 > 4 32 N 0.73445843463895 0.99709378276793 0.63215397619317 14.007 > 4 33 N 0.23445843463895 0.25290621723207 0.13215397619317 14.007 > 5 34 N 0.73445843463895 0.25290621723207 0.13215397619317 14.007 > 5 35 N 0.23445843463895 0.75290621723207 0.13215397619317 14.007 > 5 36 N 0.73445843463895 0.75290621723207 0.13215397619317 14.007 > 5 37 N 0.23445843463895 0.25290621723207 0.63215397619317 14.007 > 5 38 N 0.73445843463895 0.25290621723207 0.63215397619317 14.007 > 5 39 N 0.23445843463895 0.75290621723207 0.63215397619317 14.007 > 5 40 N 0.73445843463895 0.75290621723207 0.63215397619317 14.007 > 5 41 N 0.26554156536105 0.00290621723207 0.36784602380683 14.007 > 6 42 N 0.76554156536105 0.00290621723207 0.36784602380683 14.007 > 6 43 N 0.26554156536105 0.50290621723207 0.36784602380683 14.007 > 6 44 N 0.76554156536105 0.50290621723207 0.36784602380683 14.007 > 6 45 N 0.26554156536105 0.00290621723207 0.86784602380683 14.007 > 6 46 N 0.76554156536105 0.00290621723207 0.86784602380683 14.007 > 6 47 N 0.26554156536105 0.50290621723207 0.86784602380683 14.007 > 6 48 N 0.76554156536105 0.50290621723207 0.86784602380683 14.007 > 6 *49 N 0.44104503008059 0.12500000000000 0.31606179216964 14.007 > 7 50 N 0.94104503008059 0.12500000000000 0.31606179216964 14.007 > 7 51 N 0.44104503008059 0.62500000000000 0.31606179216964 14.007 > 7 52 N 0.94104503008059 0.62500000000000 0.31606179216964 14.007 > 7 53 N 0.44104503008059 0.12500000000000 0.81606179216964 14.007 > 7 54 N 0.94104503008059 0.12500000000000 0.81606179216964 14.007 > 7 55 N 0.44104503008059 0.62500000000000 0.81606179216964 14.007 > 7 56 N 0.94104503008059 0.62500000000000 0.81606179216964 14.007 > 7 57 N 0.05895496991941 0.37500000000000 0.18393820783036 14.007 > 8 58 N 0.55895496991941 0.37500000000000 0.18393820783036 14.007 > 8 59 N 0.05895496991941 0.87500000000000 0.18393820783036 14.007 > 8 60 N 0.55895496991941 0.87500000000000 0.18393820783036 14.007 > 8 61 N 0.05895496991941 0.37500000000000 0.68393820783036 14.007 > 8 62 N 0.55895496991941 0.37500000000000 0.68393820783036 14.007 > 8 63 N 0.05895496991941 0.87500000000000 0.68393820783036 14.007 > 8 64 N 0.55895496991941 0.87500000000000 0.68393820783036 14.007 > 8 *65 N 0.43721475344010 0.12500000000000 0.01940500450264 14.007 > 9 66 N 0.93721475344010 0.12500000000000 0.01940500450264 14.007 > 9 67 N 0.43721475344010 0.62500000000000 0.01940500450264 14.007 > 9 68 N 0.93721475344010 0.62500000000000 0.01940500450264 14.007 > 9 69 N 0.43721475344010 0.12500000000000 0.51940500450264 14.007 > 9 70 N 0.93721475344010 0.12500000000000 0.51940500450264 14.007 > 9 71 N 0.43721475344010 0.62500000000000 0.51940500450264 14.007 > 9 72 N 0.93721475344010 0.62500000000000 0.51940500450264 14.007 > 9 73 N 0.06278524655990 0.37500000000000 0.48059499549736 14.007 > 10 74 N 0.56278524655990 0.37500000000000 0.48059499549736 14.007 > 10 75 N 0.06278524655990 0.87500000000000 0.48059499549736 14.007 > 10 76 N 0.56278524655990 0.87500000000000 0.48059499549736 14.007 > 10 77 N 0.06278524655990 0.37500000000000 0.98059499549736 14.007 > 10 78 N 0.56278524655990 0.37500000000000 0.98059499549736 14.007 > 10 79 N 0.06278524655990 0.87500000000000 0.98059499549736 14.007 > 10 80 N 0.56278524655990 0.87500000000000 0.98059499549736 14.007 > 10 *81 Ba 0.36779927701808 0.37500000000000 0.02776329776054 137.327 > 11 82 Ba 0.86779927701808 0.37500000000000 0.02776329776054 137.327 > 11 83 Ba 0.36779927701808 0.87500000000000 0.02776329776054 137.327 > 11 84 Ba 0.86779927701808 0.87500000000000 0.02776329776054 137.327 > 11 85 Ba 0.36779927701808 0.37500000000000 0.52776329776054 137.327 > 11 86 Ba 0.86779927701808 0.37500000000000 0.52776329776054 137.327 > 11 87 Ba 0.36779927701808 0.87500000000000 0.52776329776054 137.327 > 11 88 Ba 0.86779927701808 0.87500000000000 0.52776329776054 137.327 > 11 89 Ba 0.13220072298192 0.12500000000000 0.47223670223946 137.327 > 12 90 Ba 0.63220072298192 0.12500000000000 0.47223670223946 137.327 > 12 91 Ba 0.13220072298192 0.62500000000000 0.47223670223946 137.327 > 12 92 Ba 0.63220072298192 0.62500000000000 0.47223670223946 137.327 > 12 93 Ba 0.13220072298192 0.12500000000000 0.97223670223946 137.327 > 12 94 Ba 0.63220072298192 0.12500000000000 0.97223670223946 137.327 > 12 95 Ba 0.13220072298192 0.62500000000000 0.97223670223946 137.327 > 12 96 Ba 0.63220072298192 0.62500000000000 0.97223670223946 137.327 > 12 *97 Ba 0.09733929776453 0.12500000000000 0.21163646303859 137.327 > 13 98 Ba 0.59733929776453 0.12500000000000 0.21163646303859 137.327 > 13 99 Ba 0.09733929776453 0.62500000000000 0.21163646303859 137.327 > 13 100 Ba 0.59733929776453 0.62500000000000 0.21163646303859 137.327 > 13 101 Ba 0.09733929776453 0.12500000000000 0.71163646303859 137.327 > 13 102 Ba 0.59733929776453 0.12500000000000 0.71163646303859 137.327 > 13 103 Ba 0.09733929776453 0.62500000000000 0.71163646303859 137.327 > 13 104 Ba 0.59733929776453 0.62500000000000 0.71163646303859 137.327 > 13 105 Ba 0.40266070223547 0.37500000000000 0.28836353696141 137.327 > 14 106 Ba 0.90266070223547 0.37500000000000 0.28836353696141 137.327 > 14 107 Ba 0.40266070223547 0.87500000000000 0.28836353696141 137.327 > 14 108 Ba 0.90266070223547 0.87500000000000 0.28836353696141 137.327 > 14 109 Ba 0.40266070223547 0.37500000000000 0.78836353696141 137.327 > 14 110 Ba 0.90266070223547 0.37500000000000 0.78836353696141 137.327 > 14 111 Ba 0.40266070223547 0.87500000000000 0.78836353696141 137.327 > 14 112 Ba 0.90266070223547 0.87500000000000 0.78836353696141 137.327 > 14 *113 Re 0.14570092989136 0.37500000000000 0.10640602911010 186.207 > 15 114 Re 0.64570092989136 0.37500000000000 0.10640602911010 186.207 > 15 115 Re 0.14570092989136 0.87500000000000 0.10640602911010 186.207 > 15 116 Re 0.64570092989136 0.87500000000000 0.10640602911010 186.207 > 15 117 Re 0.14570092989136 0.37500000000000 0.60640602911010 186.207 > 15 118 Re 0.64570092989136 0.37500000000000 0.60640602911010 186.207 > 15 119 Re 0.14570092989136 0.87500000000000 0.60640602911010 186.207 > 15 120 Re 0.64570092989136 0.87500000000000 0.60640602911010 186.207 > 15 121 Re 0.35429907010864 0.12500000000000 0.39359397088990 186.207 > 16 122 Re 0.85429907010864 0.12500000000000 0.39359397088990 186.207 > 16 123 Re 0.35429907010864 0.62500000000000 0.39359397088990 186.207 > 16 124 Re 0.85429907010864 0.62500000000000 0.39359397088990 186.207 > 16 125 Re 0.35429907010864 0.12500000000000 0.89359397088990 186.207 > 16 126 Re 0.85429907010864 0.12500000000000 0.89359397088990 186.207 > 16 127 Re 0.35429907010864 0.62500000000000 0.89359397088990 186.207 > 16 128 Re 0.85429907010864 0.62500000000000 0.89359397088990 186.207 > 16 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.4688559 0.0000000 0.0256292 0.0000000 5.5656032 0.0000000 0.0253064 0.0000000 5.6124521 -------------------------- Born effective charges -------------------------- 1 Li 1.0592378 0.0000000 0.0654915 0.0000000 1.3903550 0.0000000 -0.0400378 0.0000000 1.4113675 2 Li 1.0592378 0.0000000 0.0654915 0.0000000 1.3903550 0.0000000 -0.0400378 0.0000000 1.4113675 3 N -2.0540946 0.7737379 -0.2880215 0.7367958 -3.1682702 0.3552872 -0.3254905 0.3657658 -1.5968409 4 N -2.0540946 -0.7737379 -0.2880215 -0.7367958 -3.1682702 -0.3552872 -0.3254905 -0.3657658 -1.5968409 5 N -2.0540946 0.7737379 -0.2880215 0.7367958 -3.1682702 0.3552872 -0.3254905 0.3657658 -1.5968409 6 N -2.0540946 -0.7737379 -0.2880215 -0.7367958 -3.1682702 -0.3552872 -0.3254905 -0.3657658 -1.5968409 7 N -3.0030400 0.0000000 0.9852273 0.0000000 -1.4909552 0.0000000 1.2758810 0.0000000 -2.3827234 8 N -3.0030400 0.0000000 0.9852273 0.0000000 -1.4909552 0.0000000 1.2758810 0.0000000 -2.3827234 9 N -1.6481472 0.0000000 -0.5686562 0.0000000 -1.3548718 0.0000000 -0.9364370 0.0000000 -3.5702429 10 N -1.6481472 0.0000000 -0.5686562 0.0000000 -1.3548718 0.0000000 -0.9364370 0.0000000 -3.5702429 11 Ba 2.8075381 0.0000000 -0.3480162 0.0000000 2.5016680 0.0000000 0.0281501 0.0000000 2.0376501 12 Ba 2.8075381 0.0000000 -0.3480162 0.0000000 2.5016680 0.0000000 0.0281501 0.0000000 2.0376501 13 Ba 2.5204119 0.0000000 0.3891635 0.0000000 2.6393692 0.0000000 0.0539471 0.0000000 3.2733344 14 Ba 2.5204119 0.0000000 0.3891635 0.0000000 2.6393692 0.0000000 0.0539471 0.0000000 3.2733344 15 Re 2.3721885 0.0000000 0.0528330 0.0000000 2.6509752 0.0000000 0.2694775 0.0000000 2.4242961 16 Re 2.3721885 0.0000000 0.0528330 0.0000000 2.6509752 0.0000000 0.2694775 0.0000000 2.4242961 ---------------------------------------------------------------------------- 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: 384/384 Permutation basis: 9696/9696 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2520 Number of blocks in projector: 2520 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: 656 Use submatrix version of eigh solver. (1) Block: 500 / 656 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 656 / 656 (1) 145 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 376 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 376 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 376 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 368 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 368 Use standard eigh solver. Tree of FC basis block matrices: - (2520, 2482), data: False |-- (368, 366), data: True |-- (368, 366), data: True |-- (376, 369), data: True |-- (376, 369), data: True |-- (376, 369), data: True |-- (656, 643), data: False |-- (656, 11), data: (656, 24) @ (24, 11) |-- (156, 145), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 237), data: True |-- (250, 239), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.007 Solver_block: 100 / 480 - Time: 1.003 Solver_block: 200 / 480 - Time: 0.799 Solver_block: 300 / 480 - Time: 1.265 Solver_block: 400 / 480 - Time: 1.121 Solver_block: 480 / 480 - Time: 0.736 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 5.159 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 384/384 Permutation basis: 9696/9696 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2520 Number of blocks in projector: 2520 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: 656 Use submatrix version of eigh solver. (1) Block: 500 / 656 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 656 / 656 (1) 145 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 376 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 376 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 376 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 368 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 368 Use standard eigh solver. Tree of FC basis block matrices: - (2520, 2482), data: False |-- (368, 366), data: True |-- (368, 366), data: True |-- (376, 369), data: True |-- (376, 369), data: True |-- (376, 369), data: True |-- (656, 643), data: False |-- (656, 11), data: (656, 24) @ (24, 11) |-- (156, 145), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 237), data: True |-- (250, 239), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 23:44:49]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:44:50]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.509174720000371 0.000000000000000 0.000000000000000 b 0.000000000000000 5.972518560000000 0.000000000000000 c -2.441466211591306 0.000000000000000 6.987277054822722 Atomic positions (fractional): 1 Li 0.65674224519493 0.25000000000000 0.35887413447312 6.941 2 Li 0.34325775480507 0.75000000000000 0.64112586552688 6.941 3 N 0.53108313072211 0.49418756553587 0.73569204761365 14.007 4 N 0.46891686927789 0.99418756553587 0.26430795238635 14.007 5 N 0.46891686927789 0.50581243446413 0.26430795238635 14.007 6 N 0.53108313072211 0.00581243446413 0.73569204761365 14.007 7 N 0.88209006016119 0.25000000000000 0.63212358433928 14.007 8 N 0.11790993983881 0.75000000000000 0.36787641566072 14.007 9 N 0.87442950688020 0.25000000000000 0.03881000900527 14.007 10 N 0.12557049311980 0.75000000000000 0.96118999099473 14.007 11 Ba 0.73559855403616 0.75000000000000 0.05552659552109 137.327 12 Ba 0.26440144596384 0.25000000000000 0.94447340447891 137.327 13 Ba 0.19467859552907 0.25000000000000 0.42327292607717 137.327 14 Ba 0.80532140447093 0.75000000000000 0.57672707392283 137.327 15 Re 0.29140185978272 0.75000000000000 0.21281205822019 186.207 16 Re 0.70859814021728 0.25000000000000 0.78718794177981 186.207 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.018349440000742 0.000000000000000 0.000000000000000 b 0.000000000000000 11.945037120000000 0.000000000000000 c -4.882932423182612 0.000000000000000 13.974554109645444 Atomic positions (fractional): 1 Li 0.32837112259747 0.12500000000000 0.17943706723656 6.941 > 1 2 Li 0.82837112259747 0.12500000000000 0.17943706723656 6.941 > 1 3 Li 0.32837112259747 0.62500000000000 0.17943706723656 6.941 > 1 4 Li 0.82837112259747 0.62500000000000 0.17943706723656 6.941 > 1 5 Li 0.32837112259747 0.12500000000000 0.67943706723656 6.941 > 1 6 Li 0.82837112259747 0.12500000000000 0.67943706723656 6.941 > 1 7 Li 0.32837112259747 0.62500000000000 0.67943706723656 6.941 > 1 8 Li 0.82837112259747 0.62500000000000 0.67943706723656 6.941 > 1 9 Li 0.17162887740253 0.37500000000000 0.32056293276344 6.941 > 9 10 Li 0.67162887740253 0.37500000000000 0.32056293276344 6.941 > 9 11 Li 0.17162887740253 0.87500000000000 0.32056293276344 6.941 > 9 12 Li 0.67162887740253 0.87500000000000 0.32056293276344 6.941 > 9 13 Li 0.17162887740253 0.37500000000000 0.82056293276344 6.941 > 9 14 Li 0.67162887740253 0.37500000000000 0.82056293276344 6.941 > 9 15 Li 0.17162887740253 0.87500000000000 0.82056293276344 6.941 > 9 16 Li 0.67162887740253 0.87500000000000 0.82056293276344 6.941 > 9 17 N 0.26554156536105 0.24709378276793 0.36784602380683 14.007 > 17 18 N 0.76554156536105 0.24709378276793 0.36784602380683 14.007 > 17 19 N 0.26554156536105 0.74709378276793 0.36784602380683 14.007 > 17 20 N 0.76554156536105 0.74709378276793 0.36784602380683 14.007 > 17 21 N 0.26554156536105 0.24709378276793 0.86784602380683 14.007 > 17 22 N 0.76554156536105 0.24709378276793 0.86784602380683 14.007 > 17 23 N 0.26554156536105 0.74709378276793 0.86784602380683 14.007 > 17 24 N 0.76554156536105 0.74709378276793 0.86784602380683 14.007 > 17 25 N 0.23445843463895 0.49709378276793 0.13215397619317 14.007 > 25 26 N 0.73445843463895 0.49709378276793 0.13215397619317 14.007 > 25 27 N 0.23445843463895 0.99709378276793 0.13215397619317 14.007 > 25 28 N 0.73445843463895 0.99709378276793 0.13215397619317 14.007 > 25 29 N 0.23445843463895 0.49709378276793 0.63215397619317 14.007 > 25 30 N 0.73445843463895 0.49709378276793 0.63215397619317 14.007 > 25 31 N 0.23445843463895 0.99709378276793 0.63215397619317 14.007 > 25 32 N 0.73445843463895 0.99709378276793 0.63215397619317 14.007 > 25 33 N 0.23445843463895 0.25290621723207 0.13215397619317 14.007 > 33 34 N 0.73445843463895 0.25290621723207 0.13215397619317 14.007 > 33 35 N 0.23445843463895 0.75290621723207 0.13215397619317 14.007 > 33 36 N 0.73445843463895 0.75290621723207 0.13215397619317 14.007 > 33 37 N 0.23445843463895 0.25290621723207 0.63215397619317 14.007 > 33 38 N 0.73445843463895 0.25290621723207 0.63215397619317 14.007 > 33 39 N 0.23445843463895 0.75290621723207 0.63215397619317 14.007 > 33 40 N 0.73445843463895 0.75290621723207 0.63215397619317 14.007 > 33 41 N 0.26554156536105 0.00290621723207 0.36784602380683 14.007 > 41 42 N 0.76554156536105 0.00290621723207 0.36784602380683 14.007 > 41 43 N 0.26554156536105 0.50290621723207 0.36784602380683 14.007 > 41 44 N 0.76554156536105 0.50290621723207 0.36784602380683 14.007 > 41 45 N 0.26554156536105 0.00290621723207 0.86784602380683 14.007 > 41 46 N 0.76554156536105 0.00290621723207 0.86784602380683 14.007 > 41 47 N 0.26554156536105 0.50290621723207 0.86784602380683 14.007 > 41 48 N 0.76554156536105 0.50290621723207 0.86784602380683 14.007 > 41 49 N 0.44104503008059 0.12500000000000 0.31606179216964 14.007 > 49 50 N 0.94104503008059 0.12500000000000 0.31606179216964 14.007 > 49 51 N 0.44104503008059 0.62500000000000 0.31606179216964 14.007 > 49 52 N 0.94104503008059 0.62500000000000 0.31606179216964 14.007 > 49 53 N 0.44104503008059 0.12500000000000 0.81606179216964 14.007 > 49 54 N 0.94104503008059 0.12500000000000 0.81606179216964 14.007 > 49 55 N 0.44104503008059 0.62500000000000 0.81606179216964 14.007 > 49 56 N 0.94104503008059 0.62500000000000 0.81606179216964 14.007 > 49 57 N 0.05895496991941 0.37500000000000 0.18393820783036 14.007 > 57 58 N 0.55895496991941 0.37500000000000 0.18393820783036 14.007 > 57 59 N 0.05895496991941 0.87500000000000 0.18393820783036 14.007 > 57 60 N 0.55895496991941 0.87500000000000 0.18393820783036 14.007 > 57 61 N 0.05895496991941 0.37500000000000 0.68393820783036 14.007 > 57 62 N 0.55895496991941 0.37500000000000 0.68393820783036 14.007 > 57 63 N 0.05895496991941 0.87500000000000 0.68393820783036 14.007 > 57 64 N 0.55895496991941 0.87500000000000 0.68393820783036 14.007 > 57 65 N 0.43721475344010 0.12500000000000 0.01940500450264 14.007 > 65 66 N 0.93721475344010 0.12500000000000 0.01940500450264 14.007 > 65 67 N 0.43721475344010 0.62500000000000 0.01940500450264 14.007 > 65 68 N 0.93721475344010 0.62500000000000 0.01940500450264 14.007 > 65 69 N 0.43721475344010 0.12500000000000 0.51940500450264 14.007 > 65 70 N 0.93721475344010 0.12500000000000 0.51940500450264 14.007 > 65 71 N 0.43721475344010 0.62500000000000 0.51940500450264 14.007 > 65 72 N 0.93721475344010 0.62500000000000 0.51940500450264 14.007 > 65 73 N 0.06278524655990 0.37500000000000 0.48059499549736 14.007 > 73 74 N 0.56278524655990 0.37500000000000 0.48059499549736 14.007 > 73 75 N 0.06278524655990 0.87500000000000 0.48059499549736 14.007 > 73 76 N 0.56278524655990 0.87500000000000 0.48059499549736 14.007 > 73 77 N 0.06278524655990 0.37500000000000 0.98059499549736 14.007 > 73 78 N 0.56278524655990 0.37500000000000 0.98059499549736 14.007 > 73 79 N 0.06278524655990 0.87500000000000 0.98059499549736 14.007 > 73 80 N 0.56278524655990 0.87500000000000 0.98059499549736 14.007 > 73 81 Ba 0.36779927701808 0.37500000000000 0.02776329776054 137.327 > 81 82 Ba 0.86779927701808 0.37500000000000 0.02776329776054 137.327 > 81 83 Ba 0.36779927701808 0.87500000000000 0.02776329776054 137.327 > 81 84 Ba 0.86779927701808 0.87500000000000 0.02776329776054 137.327 > 81 85 Ba 0.36779927701808 0.37500000000000 0.52776329776054 137.327 > 81 86 Ba 0.86779927701808 0.37500000000000 0.52776329776054 137.327 > 81 87 Ba 0.36779927701808 0.87500000000000 0.52776329776054 137.327 > 81 88 Ba 0.86779927701808 0.87500000000000 0.52776329776054 137.327 > 81 89 Ba 0.13220072298192 0.12500000000000 0.47223670223946 137.327 > 89 90 Ba 0.63220072298192 0.12500000000000 0.47223670223946 137.327 > 89 91 Ba 0.13220072298192 0.62500000000000 0.47223670223946 137.327 > 89 92 Ba 0.63220072298192 0.62500000000000 0.47223670223946 137.327 > 89 93 Ba 0.13220072298192 0.12500000000000 0.97223670223946 137.327 > 89 94 Ba 0.63220072298192 0.12500000000000 0.97223670223946 137.327 > 89 95 Ba 0.13220072298192 0.62500000000000 0.97223670223946 137.327 > 89 96 Ba 0.63220072298192 0.62500000000000 0.97223670223946 137.327 > 89 97 Ba 0.09733929776453 0.12500000000000 0.21163646303859 137.327 > 97 98 Ba 0.59733929776453 0.12500000000000 0.21163646303859 137.327 > 97 99 Ba 0.09733929776453 0.62500000000000 0.21163646303859 137.327 > 97 100 Ba 0.59733929776453 0.62500000000000 0.21163646303859 137.327 > 97 101 Ba 0.09733929776453 0.12500000000000 0.71163646303859 137.327 > 97 102 Ba 0.59733929776453 0.12500000000000 0.71163646303859 137.327 > 97 103 Ba 0.09733929776453 0.62500000000000 0.71163646303859 137.327 > 97 104 Ba 0.59733929776453 0.62500000000000 0.71163646303859 137.327 > 97 105 Ba 0.40266070223547 0.37500000000000 0.28836353696141 137.327 > 105 106 Ba 0.90266070223547 0.37500000000000 0.28836353696141 137.327 > 105 107 Ba 0.40266070223547 0.87500000000000 0.28836353696141 137.327 > 105 108 Ba 0.90266070223547 0.87500000000000 0.28836353696141 137.327 > 105 109 Ba 0.40266070223547 0.37500000000000 0.78836353696141 137.327 > 105 110 Ba 0.90266070223547 0.37500000000000 0.78836353696141 137.327 > 105 111 Ba 0.40266070223547 0.87500000000000 0.78836353696141 137.327 > 105 112 Ba 0.90266070223547 0.87500000000000 0.78836353696141 137.327 > 105 113 Re 0.14570092989136 0.37500000000000 0.10640602911010 186.207 > 113 114 Re 0.64570092989136 0.37500000000000 0.10640602911010 186.207 > 113 115 Re 0.14570092989136 0.87500000000000 0.10640602911010 186.207 > 113 116 Re 0.64570092989136 0.87500000000000 0.10640602911010 186.207 > 113 117 Re 0.14570092989136 0.37500000000000 0.60640602911010 186.207 > 113 118 Re 0.64570092989136 0.37500000000000 0.60640602911010 186.207 > 113 119 Re 0.14570092989136 0.87500000000000 0.60640602911010 186.207 > 113 120 Re 0.64570092989136 0.87500000000000 0.60640602911010 186.207 > 113 121 Re 0.35429907010864 0.12500000000000 0.39359397088990 186.207 > 121 122 Re 0.85429907010864 0.12500000000000 0.39359397088990 186.207 > 121 123 Re 0.35429907010864 0.62500000000000 0.39359397088990 186.207 > 121 124 Re 0.85429907010864 0.62500000000000 0.39359397088990 186.207 > 121 125 Re 0.35429907010864 0.12500000000000 0.89359397088990 186.207 > 121 126 Re 0.85429907010864 0.12500000000000 0.89359397088990 186.207 > 121 127 Re 0.35429907010864 0.62500000000000 0.89359397088990 186.207 > 121 128 Re 0.85429907010864 0.62500000000000 0.89359397088990 186.207 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.4688559 0.0000000 0.0256292 0.0000000 5.5656032 0.0000000 0.0253064 0.0000000 5.6124521 -------------------------- Born effective charges -------------------------- 1 Li 1.0592378 0.0000000 0.0654915 0.0000000 1.3903550 0.0000000 -0.0400378 0.0000000 1.4113675 2 Li 1.0592378 0.0000000 0.0654915 0.0000000 1.3903550 0.0000000 -0.0400378 0.0000000 1.4113675 3 N -2.0540946 0.7737379 -0.2880215 0.7367958 -3.1682702 0.3552872 -0.3254905 0.3657658 -1.5968409 4 N -2.0540946 -0.7737379 -0.2880215 -0.7367958 -3.1682702 -0.3552872 -0.3254905 -0.3657658 -1.5968409 5 N -2.0540946 0.7737379 -0.2880215 0.7367958 -3.1682702 0.3552872 -0.3254905 0.3657658 -1.5968409 6 N -2.0540946 -0.7737379 -0.2880215 -0.7367958 -3.1682702 -0.3552872 -0.3254905 -0.3657658 -1.5968409 7 N -3.0030400 0.0000000 0.9852273 0.0000000 -1.4909552 0.0000000 1.2758810 0.0000000 -2.3827234 8 N -3.0030400 0.0000000 0.9852273 0.0000000 -1.4909552 0.0000000 1.2758810 0.0000000 -2.3827234 9 N -1.6481472 0.0000000 -0.5686562 0.0000000 -1.3548718 0.0000000 -0.9364370 0.0000000 -3.5702429 10 N -1.6481472 0.0000000 -0.5686562 0.0000000 -1.3548718 0.0000000 -0.9364370 0.0000000 -3.5702429 11 Ba 2.8075381 0.0000000 -0.3480162 0.0000000 2.5016680 0.0000000 0.0281501 0.0000000 2.0376501 12 Ba 2.8075381 0.0000000 -0.3480162 0.0000000 2.5016680 0.0000000 0.0281501 0.0000000 2.0376501 13 Ba 2.5204119 0.0000000 0.3891635 0.0000000 2.6393692 0.0000000 0.0539471 0.0000000 3.2733344 14 Ba 2.5204119 0.0000000 0.3891635 0.0000000 2.6393692 0.0000000 0.0539471 0.0000000 3.2733344 15 Re 2.3721885 0.0000000 0.0528330 0.0000000 2.6509752 0.0000000 0.2694775 0.0000000 2.4242961 16 Re 2.3721885 0.0000000 0.0528330 0.0000000 2.6509752 0.0000000 0.2694775 0.0000000 2.4242961 ---------------------------------------------------------------------------- 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] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] 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] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] 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] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] 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] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] Computing fc3[ 113, 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] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000029 (xxx) -0.00000029 (xxx) -0.00000029 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000018 (xz) -0.00000018 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:45:19]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:45:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.509174720000371 0.000000000000000 0.000000000000000 b 0.000000000000000 5.972518560000000 0.000000000000000 c -2.441466211591306 0.000000000000000 6.987277054822722 Atomic positions (fractional): 1 Li 0.65674224519493 0.25000000000000 0.35887413447312 6.941 2 Li 0.34325775480507 0.75000000000000 0.64112586552688 6.941 3 N 0.53108313072211 0.49418756553587 0.73569204761365 14.007 4 N 0.46891686927789 0.99418756553587 0.26430795238635 14.007 5 N 0.46891686927789 0.50581243446413 0.26430795238635 14.007 6 N 0.53108313072211 0.00581243446413 0.73569204761365 14.007 7 N 0.88209006016119 0.25000000000000 0.63212358433928 14.007 8 N 0.11790993983881 0.75000000000000 0.36787641566072 14.007 9 N 0.87442950688020 0.25000000000000 0.03881000900527 14.007 10 N 0.12557049311980 0.75000000000000 0.96118999099473 14.007 11 Ba 0.73559855403616 0.75000000000000 0.05552659552109 137.327 12 Ba 0.26440144596384 0.25000000000000 0.94447340447891 137.327 13 Ba 0.19467859552907 0.25000000000000 0.42327292607717 137.327 14 Ba 0.80532140447093 0.75000000000000 0.57672707392283 137.327 15 Re 0.29140185978272 0.75000000000000 0.21281205822019 186.207 16 Re 0.70859814021728 0.25000000000000 0.78718794177981 186.207 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.018349440000742 0.000000000000000 0.000000000000000 b 0.000000000000000 11.945037120000000 0.000000000000000 c -4.882932423182612 0.000000000000000 13.974554109645444 Atomic positions (fractional): 1 Li 0.32837112259747 0.12500000000000 0.17943706723656 6.941 > 1 2 Li 0.82837112259747 0.12500000000000 0.17943706723656 6.941 > 1 3 Li 0.32837112259747 0.62500000000000 0.17943706723656 6.941 > 1 4 Li 0.82837112259747 0.62500000000000 0.17943706723656 6.941 > 1 5 Li 0.32837112259747 0.12500000000000 0.67943706723656 6.941 > 1 6 Li 0.82837112259747 0.12500000000000 0.67943706723656 6.941 > 1 7 Li 0.32837112259747 0.62500000000000 0.67943706723656 6.941 > 1 8 Li 0.82837112259747 0.62500000000000 0.67943706723656 6.941 > 1 9 Li 0.17162887740253 0.37500000000000 0.32056293276344 6.941 > 9 10 Li 0.67162887740253 0.37500000000000 0.32056293276344 6.941 > 9 11 Li 0.17162887740253 0.87500000000000 0.32056293276344 6.941 > 9 12 Li 0.67162887740253 0.87500000000000 0.32056293276344 6.941 > 9 13 Li 0.17162887740253 0.37500000000000 0.82056293276344 6.941 > 9 14 Li 0.67162887740253 0.37500000000000 0.82056293276344 6.941 > 9 15 Li 0.17162887740253 0.87500000000000 0.82056293276344 6.941 > 9 16 Li 0.67162887740253 0.87500000000000 0.82056293276344 6.941 > 9 17 N 0.26554156536105 0.24709378276793 0.36784602380683 14.007 > 17 18 N 0.76554156536105 0.24709378276793 0.36784602380683 14.007 > 17 19 N 0.26554156536105 0.74709378276793 0.36784602380683 14.007 > 17 20 N 0.76554156536105 0.74709378276793 0.36784602380683 14.007 > 17 21 N 0.26554156536105 0.24709378276793 0.86784602380683 14.007 > 17 22 N 0.76554156536105 0.24709378276793 0.86784602380683 14.007 > 17 23 N 0.26554156536105 0.74709378276793 0.86784602380683 14.007 > 17 24 N 0.76554156536105 0.74709378276793 0.86784602380683 14.007 > 17 25 N 0.23445843463895 0.49709378276793 0.13215397619317 14.007 > 25 26 N 0.73445843463895 0.49709378276793 0.13215397619317 14.007 > 25 27 N 0.23445843463895 0.99709378276793 0.13215397619317 14.007 > 25 28 N 0.73445843463895 0.99709378276793 0.13215397619317 14.007 > 25 29 N 0.23445843463895 0.49709378276793 0.63215397619317 14.007 > 25 30 N 0.73445843463895 0.49709378276793 0.63215397619317 14.007 > 25 31 N 0.23445843463895 0.99709378276793 0.63215397619317 14.007 > 25 32 N 0.73445843463895 0.99709378276793 0.63215397619317 14.007 > 25 33 N 0.23445843463895 0.25290621723207 0.13215397619317 14.007 > 33 34 N 0.73445843463895 0.25290621723207 0.13215397619317 14.007 > 33 35 N 0.23445843463895 0.75290621723207 0.13215397619317 14.007 > 33 36 N 0.73445843463895 0.75290621723207 0.13215397619317 14.007 > 33 37 N 0.23445843463895 0.25290621723207 0.63215397619317 14.007 > 33 38 N 0.73445843463895 0.25290621723207 0.63215397619317 14.007 > 33 39 N 0.23445843463895 0.75290621723207 0.63215397619317 14.007 > 33 40 N 0.73445843463895 0.75290621723207 0.63215397619317 14.007 > 33 41 N 0.26554156536105 0.00290621723207 0.36784602380683 14.007 > 41 42 N 0.76554156536105 0.00290621723207 0.36784602380683 14.007 > 41 43 N 0.26554156536105 0.50290621723207 0.36784602380683 14.007 > 41 44 N 0.76554156536105 0.50290621723207 0.36784602380683 14.007 > 41 45 N 0.26554156536105 0.00290621723207 0.86784602380683 14.007 > 41 46 N 0.76554156536105 0.00290621723207 0.86784602380683 14.007 > 41 47 N 0.26554156536105 0.50290621723207 0.86784602380683 14.007 > 41 48 N 0.76554156536105 0.50290621723207 0.86784602380683 14.007 > 41 49 N 0.44104503008059 0.12500000000000 0.31606179216964 14.007 > 49 50 N 0.94104503008059 0.12500000000000 0.31606179216964 14.007 > 49 51 N 0.44104503008059 0.62500000000000 0.31606179216964 14.007 > 49 52 N 0.94104503008059 0.62500000000000 0.31606179216964 14.007 > 49 53 N 0.44104503008059 0.12500000000000 0.81606179216964 14.007 > 49 54 N 0.94104503008059 0.12500000000000 0.81606179216964 14.007 > 49 55 N 0.44104503008059 0.62500000000000 0.81606179216964 14.007 > 49 56 N 0.94104503008059 0.62500000000000 0.81606179216964 14.007 > 49 57 N 0.05895496991941 0.37500000000000 0.18393820783036 14.007 > 57 58 N 0.55895496991941 0.37500000000000 0.18393820783036 14.007 > 57 59 N 0.05895496991941 0.87500000000000 0.18393820783036 14.007 > 57 60 N 0.55895496991941 0.87500000000000 0.18393820783036 14.007 > 57 61 N 0.05895496991941 0.37500000000000 0.68393820783036 14.007 > 57 62 N 0.55895496991941 0.37500000000000 0.68393820783036 14.007 > 57 63 N 0.05895496991941 0.87500000000000 0.68393820783036 14.007 > 57 64 N 0.55895496991941 0.87500000000000 0.68393820783036 14.007 > 57 65 N 0.43721475344010 0.12500000000000 0.01940500450264 14.007 > 65 66 N 0.93721475344010 0.12500000000000 0.01940500450264 14.007 > 65 67 N 0.43721475344010 0.62500000000000 0.01940500450264 14.007 > 65 68 N 0.93721475344010 0.62500000000000 0.01940500450264 14.007 > 65 69 N 0.43721475344010 0.12500000000000 0.51940500450264 14.007 > 65 70 N 0.93721475344010 0.12500000000000 0.51940500450264 14.007 > 65 71 N 0.43721475344010 0.62500000000000 0.51940500450264 14.007 > 65 72 N 0.93721475344010 0.62500000000000 0.51940500450264 14.007 > 65 73 N 0.06278524655990 0.37500000000000 0.48059499549736 14.007 > 73 74 N 0.56278524655990 0.37500000000000 0.48059499549736 14.007 > 73 75 N 0.06278524655990 0.87500000000000 0.48059499549736 14.007 > 73 76 N 0.56278524655990 0.87500000000000 0.48059499549736 14.007 > 73 77 N 0.06278524655990 0.37500000000000 0.98059499549736 14.007 > 73 78 N 0.56278524655990 0.37500000000000 0.98059499549736 14.007 > 73 79 N 0.06278524655990 0.87500000000000 0.98059499549736 14.007 > 73 80 N 0.56278524655990 0.87500000000000 0.98059499549736 14.007 > 73 81 Ba 0.36779927701808 0.37500000000000 0.02776329776054 137.327 > 81 82 Ba 0.86779927701808 0.37500000000000 0.02776329776054 137.327 > 81 83 Ba 0.36779927701808 0.87500000000000 0.02776329776054 137.327 > 81 84 Ba 0.86779927701808 0.87500000000000 0.02776329776054 137.327 > 81 85 Ba 0.36779927701808 0.37500000000000 0.52776329776054 137.327 > 81 86 Ba 0.86779927701808 0.37500000000000 0.52776329776054 137.327 > 81 87 Ba 0.36779927701808 0.87500000000000 0.52776329776054 137.327 > 81 88 Ba 0.86779927701808 0.87500000000000 0.52776329776054 137.327 > 81 89 Ba 0.13220072298192 0.12500000000000 0.47223670223946 137.327 > 89 90 Ba 0.63220072298192 0.12500000000000 0.47223670223946 137.327 > 89 91 Ba 0.13220072298192 0.62500000000000 0.47223670223946 137.327 > 89 92 Ba 0.63220072298192 0.62500000000000 0.47223670223946 137.327 > 89 93 Ba 0.13220072298192 0.12500000000000 0.97223670223946 137.327 > 89 94 Ba 0.63220072298192 0.12500000000000 0.97223670223946 137.327 > 89 95 Ba 0.13220072298192 0.62500000000000 0.97223670223946 137.327 > 89 96 Ba 0.63220072298192 0.62500000000000 0.97223670223946 137.327 > 89 97 Ba 0.09733929776453 0.12500000000000 0.21163646303859 137.327 > 97 98 Ba 0.59733929776453 0.12500000000000 0.21163646303859 137.327 > 97 99 Ba 0.09733929776453 0.62500000000000 0.21163646303859 137.327 > 97 100 Ba 0.59733929776453 0.62500000000000 0.21163646303859 137.327 > 97 101 Ba 0.09733929776453 0.12500000000000 0.71163646303859 137.327 > 97 102 Ba 0.59733929776453 0.12500000000000 0.71163646303859 137.327 > 97 103 Ba 0.09733929776453 0.62500000000000 0.71163646303859 137.327 > 97 104 Ba 0.59733929776453 0.62500000000000 0.71163646303859 137.327 > 97 105 Ba 0.40266070223547 0.37500000000000 0.28836353696141 137.327 > 105 106 Ba 0.90266070223547 0.37500000000000 0.28836353696141 137.327 > 105 107 Ba 0.40266070223547 0.87500000000000 0.28836353696141 137.327 > 105 108 Ba 0.90266070223547 0.87500000000000 0.28836353696141 137.327 > 105 109 Ba 0.40266070223547 0.37500000000000 0.78836353696141 137.327 > 105 110 Ba 0.90266070223547 0.37500000000000 0.78836353696141 137.327 > 105 111 Ba 0.40266070223547 0.87500000000000 0.78836353696141 137.327 > 105 112 Ba 0.90266070223547 0.87500000000000 0.78836353696141 137.327 > 105 113 Re 0.14570092989136 0.37500000000000 0.10640602911010 186.207 > 113 114 Re 0.64570092989136 0.37500000000000 0.10640602911010 186.207 > 113 115 Re 0.14570092989136 0.87500000000000 0.10640602911010 186.207 > 113 116 Re 0.64570092989136 0.87500000000000 0.10640602911010 186.207 > 113 117 Re 0.14570092989136 0.37500000000000 0.60640602911010 186.207 > 113 118 Re 0.64570092989136 0.37500000000000 0.60640602911010 186.207 > 113 119 Re 0.14570092989136 0.87500000000000 0.60640602911010 186.207 > 113 120 Re 0.64570092989136 0.87500000000000 0.60640602911010 186.207 > 113 121 Re 0.35429907010864 0.12500000000000 0.39359397088990 186.207 > 121 122 Re 0.85429907010864 0.12500000000000 0.39359397088990 186.207 > 121 123 Re 0.35429907010864 0.62500000000000 0.39359397088990 186.207 > 121 124 Re 0.85429907010864 0.62500000000000 0.39359397088990 186.207 > 121 125 Re 0.35429907010864 0.12500000000000 0.89359397088990 186.207 > 121 126 Re 0.85429907010864 0.12500000000000 0.89359397088990 186.207 > 121 127 Re 0.35429907010864 0.62500000000000 0.89359397088990 186.207 > 121 128 Re 0.85429907010864 0.62500000000000 0.89359397088990 186.207 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.4688559 0.0000000 0.0256292 0.0000000 5.5656032 0.0000000 0.0253064 0.0000000 5.6124521 -------------------------- Born effective charges -------------------------- 1 Li 1.0592378 0.0000000 0.0654915 0.0000000 1.3903550 0.0000000 -0.0400378 0.0000000 1.4113675 2 Li 1.0592378 0.0000000 0.0654915 0.0000000 1.3903550 0.0000000 -0.0400378 0.0000000 1.4113675 3 N -2.0540946 0.7737379 -0.2880215 0.7367958 -3.1682702 0.3552872 -0.3254905 0.3657658 -1.5968409 4 N -2.0540946 -0.7737379 -0.2880215 -0.7367958 -3.1682702 -0.3552872 -0.3254905 -0.3657658 -1.5968409 5 N -2.0540946 0.7737379 -0.2880215 0.7367958 -3.1682702 0.3552872 -0.3254905 0.3657658 -1.5968409 6 N -2.0540946 -0.7737379 -0.2880215 -0.7367958 -3.1682702 -0.3552872 -0.3254905 -0.3657658 -1.5968409 7 N -3.0030400 0.0000000 0.9852273 0.0000000 -1.4909552 0.0000000 1.2758810 0.0000000 -2.3827234 8 N -3.0030400 0.0000000 0.9852273 0.0000000 -1.4909552 0.0000000 1.2758810 0.0000000 -2.3827234 9 N -1.6481472 0.0000000 -0.5686562 0.0000000 -1.3548718 0.0000000 -0.9364370 0.0000000 -3.5702429 10 N -1.6481472 0.0000000 -0.5686562 0.0000000 -1.3548718 0.0000000 -0.9364370 0.0000000 -3.5702429 11 Ba 2.8075381 0.0000000 -0.3480162 0.0000000 2.5016680 0.0000000 0.0281501 0.0000000 2.0376501 12 Ba 2.8075381 0.0000000 -0.3480162 0.0000000 2.5016680 0.0000000 0.0281501 0.0000000 2.0376501 13 Ba 2.5204119 0.0000000 0.3891635 0.0000000 2.6393692 0.0000000 0.0539471 0.0000000 3.2733344 14 Ba 2.5204119 0.0000000 0.3891635 0.0000000 2.6393692 0.0000000 0.0539471 0.0000000 3.2733344 15 Re 2.3721885 0.0000000 0.0528330 0.0000000 2.6509752 0.0000000 0.2694775 0.0000000 2.4242961 16 Re 2.3721885 0.0000000 0.0528330 0.0000000 2.6509752 0.0000000 0.2694775 0.0000000 2.4242961 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000029 (xxx) -0.00000029 (xxx) -0.00000029 (xxx) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- 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 ... [ 8 8 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: 0.64, Number of G-points: 303, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/145) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 145 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 1.970 ( 0.000 0.000 0.000) 0.000 2.210 ( 0.000 0.000 0.000) 0.000 2.243 ( 0.000 0.000 0.000) 0.000 2.319 ( 0.000 0.000 0.000) 0.000 2.537 ( 0.000 0.000 0.000) 0.000 2.689 ( 0.000 0.000 0.000) 0.000 2.843 ( 0.000 0.000 0.000) 0.000 3.462 ( 0.000 0.000 0.000) 0.000 3.530 ( 0.000 0.000 0.000) 0.000 3.570 ( 0.000 0.000 0.000) 0.000 3.647 ( 0.000 0.000 0.000) 0.000 3.905 ( 0.000 0.000 0.000) 0.000 4.185 ( 0.000 0.000 0.000) 0.000 4.554 ( 0.000 0.000 0.000) 0.000 4.651 ( 0.000 0.000 0.000) 0.000 5.232 ( 0.000 0.000 0.000) 0.000 5.889 ( 0.000 0.000 0.000) 0.000 6.037 ( 0.000 0.000 0.000) 0.000 6.616 ( 0.000 0.000 0.000) 0.000 6.765 ( 0.000 0.000 0.000) 0.000 7.008 ( 0.000 0.000 0.000) 0.000 7.991 ( 0.000 0.000 0.000) 0.000 8.213 ( 0.000 0.000 0.000) 0.000 9.688 ( 0.000 0.000 0.000) 0.000 10.256 ( 0.000 0.000 0.000) 0.000 10.464 ( 0.000 0.000 0.000) 0.000 10.664 ( 0.000 0.000 0.000) 0.000 11.412 ( 0.000 0.000 0.000) 0.000 11.467 ( 0.000 0.000 0.000) 0.000 11.659 ( 0.000 0.000 0.000) 0.000 11.873 ( 0.000 0.000 0.000) 0.000 12.767 ( 0.000 0.000 0.000) 0.000 13.145 ( 0.000 0.000 0.000) 0.000 14.699 ( 0.000 0.000 0.000) 0.000 14.892 ( 0.000 0.000 0.000) 0.000 14.901 ( 0.000 0.000 0.000) 0.000 14.938 ( 0.000 0.000 0.000) 0.000 22.305 ( 0.000 0.000 0.000) 0.000 22.478 ( 0.000 0.000 0.000) 0.000 24.307 ( 0.000 0.000 0.000) 0.000 24.671 ( 0.000 0.000 0.000) 0.000 24.994 ( 0.000 0.000 0.000) 0.000 25.036 ( 0.000 0.000 0.000) 0.000 28.708 ( 0.000 0.000 0.000) 0.000 28.819 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/145) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.433 ( 17.833 0.000 11.627) 21.288 0.509 ( 21.462 0.000 11.860) 24.521 0.915 ( 40.749 0.000 14.074) 43.111 1.959 ( -2.526 0.000 4.566) 5.218 2.228 ( 2.415 0.000 -2.325) 3.353 2.279 ( -0.990 0.000 -0.318) 1.039 2.324 ( 4.179 0.000 2.691) 4.970 2.572 ( -0.060 0.000 -8.192) 8.192 2.798 ( -3.913 0.000 -2.049) 4.417 2.967 ( 9.492 0.000 15.041) 17.785 3.458 ( 0.130 0.000 -1.597) 1.602 3.526 ( -0.425 0.000 0.093) 0.435 3.563 ( -0.969 0.000 1.100) 1.466 3.672 ( 1.334 0.000 3.099) 3.374 3.903 ( -0.706 0.000 1.127) 1.330 4.289 ( 2.538 0.000 -5.630) 6.176 4.518 ( -3.445 0.000 -0.662) 3.508 5.264 ( 4.080 0.000 -2.902) 5.007 5.488 ( -4.465 0.000 -8.573) 9.666 5.908 ( 1.568 0.000 1.214) 1.983 6.000 ( -5.080 0.000 3.615) 6.235 6.589 ( -2.828 0.000 0.557) 2.882 6.756 ( -0.398 0.000 -13.551) 13.557 6.993 ( -5.997 0.000 11.419) 12.898 7.976 ( -1.808 0.000 1.029) 2.080 8.211 ( 3.158 0.000 -13.236) 13.607 9.663 ( -1.129 0.000 -4.056) 4.210 10.195 ( -1.963 0.000 -3.888) 4.355 10.587 ( 6.770 0.000 8.140) 10.588 10.764 ( 6.098 0.000 -10.893) 12.484 11.393 ( -1.245 0.000 -1.955) 2.318 11.510 ( 2.597 0.000 4.834) 5.488 11.876 ( 0.895 0.000 -1.717) 1.937 12.056 ( -2.948 0.000 8.675) 9.162 12.719 ( -2.403 0.000 -6.658) 7.078 13.130 ( -4.577 0.000 -7.650) 8.915 14.703 ( 0.342 0.000 0.154) 0.375 14.894 ( -0.622 0.000 -0.190) 0.650 14.912 ( 0.912 0.000 2.811) 2.955 15.369 ( -9.707 0.000 28.849) 30.439 22.385 ( 4.951 0.000 -18.111) 18.776 22.531 ( 7.593 0.000 -10.982) 13.351 24.381 ( 6.989 0.000 1.531) 7.154 24.990 ( 0.206 0.000 -1.545) 1.559 25.038 ( -0.274 0.000 1.172) 1.203 25.924 ( -15.530 0.000 32.984) 36.457 28.681 ( -2.097 0.000 -0.008) 2.097 29.009 ( 1.026 0.000 -0.104) 1.032 ======================= Grid point 2 (3/145) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 145 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.826 ( 15.592 0.000 8.564) 17.789 0.966 ( 18.265 0.000 9.572) 20.621 1.712 ( 31.979 0.000 11.730) 34.063 1.947 ( -2.758 0.000 8.166) 8.620 2.211 ( -4.442 0.000 -0.911) 4.534 2.261 ( 2.975 0.000 -3.893) 4.899 2.493 ( 9.350 0.000 4.167) 10.237 2.584 ( 5.445 0.000 -5.794) 7.951 2.672 ( -6.801 0.000 -3.892) 7.836 3.250 ( 10.056 0.000 12.034) 15.682 3.446 ( -0.028 0.000 -2.162) 2.163 3.523 ( 0.557 0.000 -1.062) 1.200 3.555 ( -0.777 0.000 1.542) 1.727 3.731 ( 2.371 0.000 2.716) 3.605 3.886 ( -1.880 0.000 1.155) 2.207 4.304 ( 1.782 0.000 -2.504) 3.073 4.420 ( -5.841 0.000 -1.658) 6.072 5.302 ( -8.951 0.000 -5.567) 10.541 5.338 ( 6.188 0.000 -5.127) 8.036 5.889 ( -7.692 0.000 2.437) 8.069 5.973 ( 2.137 0.000 5.940) 6.313 6.523 ( -4.253 0.000 0.208) 4.258 6.648 ( -1.217 0.000 -11.807) 11.870 6.923 ( -9.689 0.000 13.172) 16.352 7.941 ( -2.358 0.000 0.937) 2.538 8.173 ( 0.795 0.000 -8.902) 8.937 9.599 ( -1.731 0.000 -5.501) 5.767 10.166 ( 0.722 0.000 -1.742) 1.885 10.776 ( 6.577 0.000 8.391) 10.661 10.825 ( 4.893 0.000 -3.408) 5.963 11.341 ( -2.129 0.000 -3.540) 4.131 11.617 ( 3.508 0.000 7.788) 8.542 11.890 ( 2.393 0.000 -2.618) 3.547 12.062 ( -0.813 0.000 4.226) 4.303 12.598 ( -3.915 0.000 -9.891) 10.638 12.945 ( -8.134 0.000 -9.190) 12.273 14.713 ( 0.555 0.000 0.230) 0.601 14.876 ( -0.958 0.000 -0.285) 0.999 14.956 ( 1.132 0.000 3.760) 3.927 15.377 ( -4.245 0.000 13.342) 14.002 22.383 ( 1.600 0.000 -0.998) 1.886 22.595 ( 5.358 0.000 -8.002) 9.630 24.585 ( 12.640 0.000 1.958) 12.791 24.985 ( 0.517 0.000 -1.795) 1.868 25.038 ( -0.611 0.000 1.269) 1.409 25.797 ( -14.673 0.000 15.081) 21.041 28.654 ( -0.567 0.000 0.443) 0.720 29.014 ( -0.497 0.000 -0.556) 0.746 ======================= Grid point 3 (4/145) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.122 ( 9.966 0.000 4.045) 10.756 1.319 ( 12.360 0.000 6.020) 13.748 1.973 ( -0.830 0.000 9.946) 9.980 2.092 ( -4.868 0.000 0.358) 4.881 2.263 ( 15.899 0.000 5.096) 16.695 2.278 ( 1.872 0.000 -5.914) 6.204 2.509 ( -6.526 0.000 -3.305) 7.315 2.667 ( 4.919 0.000 -1.823) 5.246 2.713 ( 10.260 0.000 2.431) 10.544 3.432 ( -0.102 0.000 -1.352) 1.356 3.459 ( 2.640 0.000 3.977) 4.773 3.553 ( -0.326 0.000 0.928) 0.983 3.580 ( 7.774 0.000 2.173) 8.072 3.778 ( 0.550 0.000 2.408) 2.470 3.858 ( -1.163 0.000 1.596) 1.975 4.266 ( -8.423 0.000 -3.994) 9.322 4.314 ( 0.411 0.000 -1.318) 1.380 5.120 ( -6.055 0.000 -2.303) 6.479 5.423 ( 6.112 0.000 -5.367) 8.134 5.750 ( -8.194 0.000 3.939) 9.092 6.072 ( 3.684 0.000 4.996) 6.207 6.433 ( -4.426 0.000 -1.163) 4.576 6.572 ( 0.527 0.000 -8.141) 8.158 6.816 ( -8.633 0.000 9.519) 12.851 7.906 ( -1.575 0.000 0.318) 1.606 8.131 ( -0.085 0.000 -4.833) 4.833 9.540 ( -1.005 0.000 -3.542) 3.682 10.181 ( 1.162 0.000 -0.567) 1.293 10.891 ( 3.049 0.000 -0.691) 3.127 10.937 ( 4.590 0.000 6.521) 7.974 11.270 ( -2.292 0.000 -4.025) 4.632 11.711 ( 1.300 0.000 4.418) 4.605 11.954 ( 4.875 0.000 1.083) 4.994 12.083 ( 0.240 0.000 3.233) 3.242 12.461 ( -3.300 0.000 -7.994) 8.648 12.724 ( -7.727 0.000 -8.393) 11.408 14.725 ( 0.482 0.000 0.181) 0.515 14.857 ( -0.771 0.000 -0.223) 0.803 14.997 ( 0.749 0.000 2.561) 2.668 15.384 ( -1.881 0.000 6.010) 6.297 22.423 ( 1.134 0.000 3.655) 3.827 22.625 ( 2.701 0.000 -6.007) 6.586 24.873 ( 15.702 0.000 0.757) 15.720 24.986 ( 0.639 0.000 -1.267) 1.419 25.032 ( -0.704 0.000 0.896) 1.140 25.568 ( -16.390 0.000 7.252) 17.923 28.663 ( 0.870 0.000 0.512) 1.009 28.988 ( -1.396 0.000 -0.540) 1.496 ======================= Grid point 4 (5/145) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( 0.000 0.000 0.000) 0.000 1.474 ( 0.000 0.000 0.000) 0.000 2.016 ( 0.000 0.000 -0.000) 0.000 2.025 ( 0.000 0.000 0.000) 0.000 2.261 ( -0.000 0.000 0.000) 0.000 2.429 ( 0.000 0.000 0.000) 0.000 2.432 ( 0.000 0.000 0.000) 0.000 2.713 ( 0.000 0.000 0.000) 0.000 2.843 ( 0.000 0.000 0.000) 0.000 3.426 ( 0.000 0.000 0.000) 0.000 3.478 ( 0.000 0.000 -0.000) 0.000 3.553 ( 0.000 0.000 0.000) 0.000 3.680 ( 0.000 0.000 0.000) 0.000 3.820 ( 0.000 0.000 0.000) 0.000 3.878 ( 0.000 0.000 -0.000) 0.000 4.108 ( 0.000 0.000 0.000) 0.000 4.311 ( 0.000 0.000 0.000) 0.000 5.056 ( 0.000 0.000 0.000) 0.000 5.477 ( 0.000 0.000 -0.000) 0.000 5.670 ( 0.000 0.000 0.000) 0.000 6.140 ( 0.000 0.000 0.000) 0.000 6.372 ( 0.000 0.000 0.000) 0.000 6.554 ( 0.000 0.000 0.000) 0.000 6.757 ( 0.000 0.000 -0.000) 0.000 7.891 ( 0.000 0.000 0.000) 0.000 8.113 ( 0.000 0.000 -0.000) 0.000 9.518 ( 0.000 0.000 0.000) 0.000 10.192 ( 0.000 0.000 0.000) 0.000 10.920 ( 0.000 0.000 0.000) 0.000 11.013 ( 0.000 0.000 0.000) 0.000 11.225 ( -0.000 0.000 -0.000) 0.000 11.734 ( 0.000 0.000 0.000) 0.000 12.027 ( 0.000 0.000 0.000) 0.000 12.101 ( 0.000 0.000 0.000) 0.000 12.397 ( 0.000 0.000 0.000) 0.000 12.600 ( 0.000 0.000 0.000) 0.000 14.731 ( 0.000 0.000 0.000) 0.000 14.848 ( 0.000 0.000 0.000) 0.000 15.014 ( 0.000 0.000 0.000) 0.000 15.386 ( 0.000 0.000 0.000) 0.000 22.452 ( 0.000 0.000 0.000) 0.000 22.628 ( 0.000 0.000 0.000) 0.000 24.989 ( 0.000 0.000 0.000) 0.000 25.027 ( 0.000 0.000 0.000) 0.000 25.109 ( 0.000 0.000 0.000) 0.000 25.352 ( 0.000 0.000 0.000) 0.000 28.677 ( 0.000 0.000 0.000) 0.000 28.970 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 9 (6/145) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.418 ( 0.000 20.430 0.000) 20.430 0.516 ( 0.000 24.471 0.000) 24.471 1.019 ( 0.000 46.230 0.000) 46.230 2.037 ( 0.000 -1.907 0.000) 1.907 2.248 ( 0.000 2.186 0.000) 2.186 2.254 ( 0.000 0.412 0.000) 0.412 2.367 ( 0.000 4.252 0.000) 4.252 2.532 ( 0.000 -0.432 0.000) 0.432 2.644 ( 0.000 -4.508 0.000) 4.508 2.866 ( 0.000 2.812 0.000) 2.812 3.496 ( 0.000 -1.120 0.000) 1.120 3.624 ( 0.000 -1.789 0.000) 1.789 3.636 ( 0.000 3.287 0.000) 3.287 3.863 ( 0.000 -3.713 0.000) 3.713 4.199 ( 0.000 1.470 0.000) 1.470 4.255 ( 0.000 2.058 0.000) 2.058 4.538 ( 0.000 -1.309 0.000) 1.309 4.641 ( 0.000 -0.902 0.000) 0.902 5.615 ( 0.000 7.269 0.000) 7.269 6.050 ( 0.000 7.045 0.000) 7.045 6.066 ( 0.000 2.306 0.000) 2.306 6.645 ( 0.000 2.828 0.000) 2.828 6.813 ( 0.000 4.443 0.000) 4.443 7.025 ( 0.000 1.529 0.000) 1.529 7.973 ( 0.000 -1.450 0.000) 1.450 8.207 ( 0.000 -0.585 0.000) 0.585 10.184 ( 0.000 4.059 0.000) 4.059 10.261 ( 0.000 0.264 0.000) 0.264 10.690 ( 0.000 2.338 0.000) 2.338 10.712 ( 0.000 -4.676 0.000) 4.676 11.314 ( 0.000 -6.718 0.000) 6.718 11.557 ( 0.000 7.354 0.000) 7.354 11.758 ( 0.000 6.838 0.000) 6.838 11.799 ( 0.000 -6.851 0.000) 6.851 12.751 ( 0.000 -1.391 0.000) 1.391 13.060 ( 0.000 -7.513 0.000) 7.513 14.891 ( 0.000 -0.223 0.000) 0.223 14.892 ( 0.000 0.096 0.000) 0.096 14.966 ( 0.000 1.856 0.000) 1.856 14.995 ( 0.000 0.725 0.000) 0.725 22.277 ( 0.000 -2.531 0.000) 2.531 22.439 ( 0.000 -3.530 0.000) 3.530 24.274 ( 0.000 -3.035 0.000) 3.035 24.464 ( 0.000 -12.487 0.000) 12.487 25.334 ( 0.000 20.895 0.000) 20.895 26.857 ( 0.000 0.753 0.000) 0.753 28.708 ( 0.000 0.035 0.000) 0.035 28.812 ( 0.000 -0.689 0.000) 0.689 ======================= Grid point 10 (7/145) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.706 ( 15.562 15.937 7.141) 23.391 0.816 ( 20.362 16.987 7.358) 27.519 1.258 ( 21.653 33.453 9.748) 41.024 1.973 ( -3.609 0.272 1.899) 4.087 2.262 ( -0.253 0.523 -0.130) 0.595 2.300 ( 3.773 1.458 -0.499) 4.076 2.381 ( 2.608 5.239 1.095) 5.954 2.488 ( 2.580 -3.464 -6.359) 7.687 2.807 ( -1.122 0.700 -3.061) 3.335 2.915 ( 10.143 -2.576 13.143) 16.800 3.478 ( -2.998 -1.927 3.007) 4.663 3.600 ( -4.954 0.919 -1.155) 5.169 3.634 ( 0.633 4.728 -5.210) 7.064 3.731 ( -6.750 4.253 1.985) 8.221 3.921 ( -1.777 3.555 1.458) 4.233 4.285 ( 1.338 -0.276 -4.362) 4.571 4.494 ( -3.473 -1.480 -0.316) 3.788 5.049 ( 14.302 -11.789 1.273) 18.578 5.596 ( -1.123 8.742 -3.892) 9.635 6.018 ( -0.615 9.249 -0.285) 9.274 6.036 ( -4.397 2.484 2.748) 5.749 6.640 ( -1.309 3.505 -0.056) 3.741 6.765 ( -1.367 3.015 -9.477) 10.039 7.010 ( -5.901 1.596 11.130) 12.699 7.959 ( -1.062 -1.335 -0.686) 1.839 8.192 ( -0.020 -1.169 -4.468) 4.618 9.987 ( -11.309 16.363 -8.493) 21.628 10.234 ( -1.376 3.057 -3.136) 4.591 10.558 ( 1.139 -1.286 5.465) 5.729 10.821 ( 6.256 2.402 -6.370) 9.245 11.342 ( 0.369 -5.304 2.033) 5.692 11.552 ( 0.890 5.105 3.762) 6.403 11.804 ( 1.265 -6.248 -1.053) 6.461 11.921 ( 4.609 -5.314 4.879) 8.561 12.700 ( -2.741 -1.838 -6.694) 7.464 13.014 ( -3.609 -8.515 -5.609) 10.817 14.772 ( -2.963 3.844 -2.890) 5.649 14.880 ( -1.270 -0.426 -0.451) 1.413 14.930 ( 0.468 1.120 4.172) 4.345 15.257 ( 3.003 -5.581 17.351) 18.472 22.303 ( 3.502 -4.767 -6.127) 8.517 22.487 ( 5.483 -3.703 -4.427) 7.960 24.301 ( 4.288 -5.108 2.259) 7.042 24.646 ( 9.196 -16.230 7.210) 19.999 25.301 ( -2.525 20.085 -0.176) 20.244 26.458 ( -25.314 21.897 3.118) 33.615 28.668 ( -1.963 -0.625 0.145) 2.065 28.919 ( 4.379 -4.900 0.637) 6.603 ======================= Grid point 11 (8/145) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( 15.587 9.383 8.715) 20.173 1.176 ( 13.684 23.584 6.007) 27.920 1.791 ( 17.065 6.048 8.071) 19.822 2.002 ( 8.646 7.545 7.460) 13.687 2.220 ( -3.683 1.454 -0.370) 3.977 2.346 ( 2.236 4.742 -1.536) 5.463 2.514 ( 8.606 1.707 -1.201) 8.855 2.546 ( 5.646 -0.909 -0.108) 5.720 2.705 ( -4.340 2.994 -4.817) 7.142 3.200 ( 9.300 -4.533 10.237) 14.554 3.413 ( -3.776 -1.584 0.274) 4.104 3.508 ( -2.900 -1.874 2.740) 4.408 3.638 ( 2.820 6.309 -2.846) 7.474 3.757 ( 3.613 0.826 -0.205) 3.712 3.921 ( -0.922 3.628 2.933) 4.756 4.281 ( 0.638 -2.425 -2.605) 3.616 4.399 ( -5.746 -0.774 -0.987) 5.881 5.157 ( -0.753 -8.026 -2.371) 8.403 5.542 ( 0.489 12.263 -6.078) 13.695 5.940 ( -7.300 3.679 3.309) 8.819 6.055 ( 2.725 8.646 3.538) 9.732 6.592 ( -3.332 5.665 0.034) 6.572 6.659 ( -1.847 2.038 -10.527) 10.881 6.939 ( -9.578 1.421 12.483) 15.798 7.929 ( -1.401 -0.964 -0.868) 1.909 8.151 ( -0.918 -1.750 -4.537) 4.948 9.772 ( -5.569 13.690 -7.612) 16.625 10.209 ( 0.136 3.747 -1.091) 3.905 10.675 ( 5.151 -5.346 5.919) 9.495 10.905 ( 4.768 2.986 -1.067) 5.726 11.350 ( 0.025 0.533 -0.415) 0.676 11.616 ( 1.422 -0.197 5.986) 6.156 11.840 ( 3.579 -3.915 -1.020) 5.402 11.987 ( 1.196 -5.665 2.470) 6.295 12.570 ( -4.512 -2.973 -9.650) 11.060 12.853 ( -7.305 -7.382 -9.158) 13.847 14.737 ( -0.358 1.792 -0.464) 1.885 14.853 ( -1.293 -1.519 -0.327) 2.022 14.969 ( 0.536 0.996 4.360) 4.504 15.356 ( -1.164 -1.985 10.748) 10.992 22.334 ( 2.013 -3.874 0.490) 4.393 22.555 ( 4.845 -3.644 -6.149) 8.635 24.454 ( 8.599 -8.177 3.428) 12.352 24.829 ( 6.365 -11.127 3.508) 13.290 25.263 ( -0.963 17.882 0.211) 17.909 26.084 ( -18.210 19.540 4.710) 27.121 28.648 ( -0.207 -0.350 0.486) 0.633 28.959 ( 0.276 -4.328 -0.404) 4.355 ======================= Grid point 12 (9/145) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( 11.019 5.854 5.740) 13.734 1.420 ( 7.896 22.071 2.775) 23.605 1.954 ( 2.941 -1.180 9.075) 9.613 2.130 ( -4.460 2.889 -1.025) 5.412 2.343 ( 7.905 7.190 0.808) 10.716 2.372 ( 4.830 7.498 0.350) 8.926 2.492 ( -4.761 0.123 -4.032) 6.240 2.667 ( 4.822 -0.177 -1.317) 5.002 2.777 ( 10.600 5.771 2.503) 12.325 3.339 ( -0.170 -5.291 -0.838) 5.360 3.412 ( 3.587 -3.974 4.017) 6.693 3.488 ( -1.445 -3.664 2.921) 4.903 3.722 ( 6.733 7.705 1.701) 10.372 3.818 ( 2.811 0.702 -1.299) 3.175 3.911 ( -2.289 6.522 2.836) 7.471 4.235 ( -5.783 -3.488 -3.865) 7.782 4.298 ( -1.713 -0.211 -0.544) 1.810 5.068 ( -4.619 -4.500 -1.705) 6.671 5.551 ( 3.715 10.313 -5.271) 12.164 5.819 ( -7.007 5.493 3.637) 9.618 6.148 ( 3.760 8.002 3.852) 9.644 6.517 ( -4.231 7.898 -0.497) 8.974 6.580 ( 0.630 0.863 -8.098) 8.168 6.829 ( -8.598 1.132 8.941) 12.456 7.900 ( -0.936 -0.464 -0.769) 1.297 8.106 ( -0.971 -2.094 -2.562) 3.449 9.659 ( -2.327 10.448 -4.207) 11.501 10.213 ( 0.518 2.813 -0.418) 2.891 10.806 ( 4.274 -5.197 4.828) 8.282 10.968 ( 1.782 0.032 -0.225) 1.796 11.340 ( -0.140 6.411 -1.598) 6.609 11.662 ( 0.287 -4.737 2.764) 5.492 11.932 ( 4.445 -2.209 3.131) 5.868 12.034 ( 2.266 -3.798 2.552) 5.106 12.427 ( -3.429 -3.848 -6.984) 8.680 12.637 ( -7.862 -6.950 -9.698) 14.289 14.736 ( 0.234 0.838 -0.088) 0.874 14.828 ( -1.023 -2.162 -0.198) 2.400 15.004 ( 0.387 0.575 2.799) 2.884 15.385 ( -1.045 -0.393 5.130) 5.250 22.384 ( 1.406 -3.303 3.447) 4.976 22.587 ( 2.487 -3.503 -5.156) 6.711 24.630 ( 6.522 -11.063 2.235) 13.035 24.951 ( 4.544 -5.726 1.208) 7.409 25.291 ( 4.528 16.228 0.521) 16.855 25.776 ( -16.668 16.936 2.498) 23.893 28.662 ( 1.022 -0.047 0.469) 1.125 28.943 ( -1.178 -3.875 -0.487) 4.080 ======================= Grid point 13 (10/145) ======================= q-point: (-0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( 0.000 19.457 -0.000) 19.457 1.523 ( 0.000 4.419 0.000) 4.419 2.036 ( 0.000 1.657 -0.000) 1.657 2.089 ( 0.000 5.752 -0.000) 5.752 2.294 ( 0.000 3.846 0.000) 3.846 2.422 ( 0.000 0.645 0.000) 0.645 2.507 ( 0.000 5.729 -0.000) 5.729 2.715 ( 0.000 0.122 0.000) 0.122 2.912 ( 0.000 6.019 0.000) 6.019 3.325 ( 0.000 -5.143 0.000) 5.143 3.459 ( 0.000 -2.962 0.000) 2.962 3.491 ( 0.000 -4.173 0.000) 4.173 3.840 ( -0.000 -0.117 -0.000) 0.117 3.847 ( 0.000 11.804 0.000) 11.804 3.892 ( 0.000 1.988 -0.000) 1.988 4.109 ( 0.000 -0.105 0.000) 0.105 4.286 ( 0.000 -1.623 0.000) 1.623 5.014 ( 0.000 -3.916 0.000) 3.916 5.579 ( -0.000 8.720 0.000) 8.720 5.753 ( 0.000 6.687 -0.000) 6.687 6.211 ( -0.000 7.397 -0.000) 7.397 6.461 ( 0.000 8.418 0.000) 8.418 6.565 ( -0.000 1.103 0.000) 1.103 6.767 ( 0.000 0.970 -0.000) 0.970 7.888 ( 0.000 -0.229 0.000) 0.229 8.087 ( 0.000 -2.210 -0.000) 2.210 9.623 ( 0.000 9.426 -0.000) 9.426 10.217 ( 0.000 2.284 0.000) 2.284 10.875 ( 0.000 -3.495 0.000) 3.495 10.975 ( 0.000 -3.456 0.000) 3.456 11.332 ( 0.000 9.149 0.000) 9.149 11.673 ( 0.000 -5.688 0.000) 5.688 11.996 ( 0.000 -3.149 0.000) 3.149 12.079 ( 0.000 -1.859 0.000) 1.859 12.383 ( -0.000 -1.347 -0.000) 1.347 12.490 ( 0.000 -9.774 0.000) 9.774 14.739 ( 0.000 0.637 0.000) 0.637 14.817 ( 0.000 -2.455 0.000) 2.455 15.017 ( 0.000 0.381 0.000) 0.381 15.391 ( 0.000 -0.041 0.000) 0.041 22.413 ( 0.000 -3.253 0.000) 3.253 22.590 ( 0.000 -3.398 -0.000) 3.398 24.703 ( 0.000 -11.889 0.000) 11.889 25.000 ( 0.000 -3.497 0.000) 3.497 25.428 ( 0.000 8.031 0.000) 8.031 25.529 ( 0.000 23.479 0.000) 23.479 28.677 ( 0.000 0.038 0.000) 0.038 28.926 ( 0.000 -3.752 0.000) 3.752 ======================= Grid point 18 (11/145) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 145 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.860 ( 0.000 21.745 0.000) 21.745 1.017 ( 0.000 23.097 0.000) 23.097 1.871 ( 0.000 31.548 0.000) 31.548 2.001 ( 0.000 -0.587 0.000) 0.587 2.256 ( 0.000 -1.429 0.000) 1.429 2.265 ( 0.000 1.836 0.000) 1.836 2.455 ( 0.000 0.802 0.000) 0.802 2.502 ( 0.000 -5.973 0.000) 5.973 2.508 ( 0.000 -2.069 0.000) 2.069 2.982 ( 0.000 7.937 0.000) 7.937 3.488 ( 0.000 0.014 0.000) 0.014 3.590 ( 0.000 -1.246 0.000) 1.246 3.661 ( 0.000 -1.211 0.000) 1.211 3.762 ( 0.000 -5.628 0.000) 5.628 4.244 ( 0.000 2.286 0.000) 2.286 4.276 ( 0.000 -0.199 0.000) 0.199 4.514 ( 0.000 -0.611 0.000) 0.611 4.620 ( 0.000 -1.019 0.000) 1.019 5.783 ( 0.000 7.560 0.000) 7.560 6.107 ( 0.000 1.003 0.000) 1.003 6.307 ( 0.000 17.317 0.000) 17.317 6.735 ( 0.000 5.564 0.000) 5.564 6.940 ( 0.000 7.261 0.000) 7.261 7.063 ( 0.000 1.801 0.000) 1.801 7.947 ( 0.000 -0.676 0.000) 0.676 8.186 ( 0.000 -1.529 0.000) 1.529 10.261 ( 0.000 -0.174 0.000) 0.174 10.270 ( 0.000 3.061 0.000) 3.061 10.632 ( 0.000 -1.893 0.000) 1.893 10.742 ( 0.000 1.897 0.000) 1.897 11.188 ( 0.000 -4.750 0.000) 4.750 11.585 ( 0.000 -10.808 0.000) 10.808 11.743 ( 0.000 7.379 0.000) 7.379 11.887 ( 0.000 4.900 0.000) 4.900 12.716 ( 0.000 -1.664 0.000) 1.664 12.875 ( 0.000 -8.909 0.000) 8.909 14.899 ( 0.000 0.963 0.000) 0.963 14.902 ( 0.000 0.913 0.000) 0.913 14.996 ( 0.000 0.780 0.000) 0.780 15.005 ( 0.000 0.113 0.000) 0.113 22.213 ( 0.000 -3.171 0.000) 3.171 22.342 ( 0.000 -5.339 0.000) 5.339 24.193 ( 0.000 -4.322 0.000) 4.322 24.240 ( 0.000 -8.602 0.000) 8.602 25.799 ( 0.000 22.569 0.000) 22.569 26.860 ( 0.000 -1.017 0.000) 1.017 28.710 ( 0.000 0.185 0.000) 0.185 28.792 ( 0.000 -1.208 0.000) 1.208 ======================= Grid point 19 (12/145) ======================= q-point: ( 0.12 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( 12.712 18.621 3.099) 22.759 1.154 ( 15.590 17.199 6.425) 24.086 1.902 ( -2.017 8.435 -0.578) 8.692 2.061 ( 10.183 21.969 5.653) 24.866 2.245 ( 0.571 -1.930 -2.062) 2.881 2.293 ( 3.264 -0.649 -1.624) 3.703 2.437 ( 1.809 -2.851 -0.563) 3.423 2.496 ( 3.144 5.010 1.230) 6.041 2.760 ( 11.932 -5.430 7.148) 14.931 2.958 ( -2.267 6.967 1.578) 7.495 3.448 ( -3.911 -0.897 2.729) 4.852 3.593 ( -2.787 -1.201 -1.749) 3.503 3.672 ( 2.649 -0.868 -0.688) 2.872 3.723 ( -2.420 -3.253 -1.778) 4.427 4.045 ( -6.573 5.971 -0.859) 8.922 4.273 ( -1.459 -1.058 -3.046) 3.540 4.488 ( -2.149 1.302 0.918) 2.675 4.853 ( 11.676 -7.404 2.631) 14.073 5.780 ( 0.268 7.755 -1.706) 7.945 6.079 ( -2.873 1.313 0.154) 3.162 6.312 ( 0.598 18.384 1.025) 18.422 6.723 ( -0.331 4.669 -3.368) 5.766 6.890 ( -2.447 8.043 -4.996) 9.779 7.048 ( -5.182 1.689 8.665) 10.236 7.936 ( -0.505 -0.478 -1.388) 1.552 8.165 ( -2.396 -1.619 0.688) 2.972 10.208 ( -4.638 5.813 -4.890) 8.900 10.286 ( 0.935 1.460 2.305) 2.884 10.558 ( -3.361 1.408 1.563) 3.965 10.830 ( 5.861 -0.988 -0.712) 5.986 11.233 ( 3.204 -3.932 3.939) 6.422 11.573 ( -1.187 -8.657 0.119) 8.739 11.740 ( 0.402 4.097 0.652) 4.168 11.900 ( 1.600 2.269 -2.433) 3.692 12.641 ( -4.963 -3.698 -6.874) 9.250 12.834 ( -2.536 -7.488 -5.103) 9.409 14.826 ( -2.914 1.658 -3.072) 4.547 14.885 ( -2.952 0.700 -0.880) 3.159 14.956 ( 0.402 1.423 4.856) 5.076 15.175 ( 5.402 -2.940 8.536) 10.521 22.218 ( 1.104 -3.280 -0.341) 3.478 22.387 ( 4.486 -5.550 -2.225) 7.475 24.197 ( 2.689 -4.449 2.189) 5.641 24.385 ( 8.828 -9.665 6.113) 14.447 25.758 ( -3.454 22.334 -1.030) 22.623 26.711 ( -12.765 4.907 -1.918) 13.809 28.669 ( -2.196 0.730 0.032) 2.314 28.840 ( 2.662 -3.042 0.065) 4.043 ======================= Grid point 20 (13/145) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.321 ( 10.305 13.547 6.803) 18.330 1.571 ( 18.794 14.462 5.231) 24.284 1.854 ( -1.376 0.492 0.991) 1.766 2.230 ( -0.816 0.842 -1.318) 1.764 2.348 ( 6.691 4.711 3.458) 8.884 2.384 ( 10.339 14.149 1.228) 17.567 2.517 ( 6.344 -1.288 -0.304) 6.480 2.626 ( 8.748 7.025 3.818) 11.851 2.831 ( -2.885 8.867 -3.266) 9.880 3.077 ( 7.958 -6.716 8.404) 13.381 3.389 ( -3.943 -0.678 1.793) 4.384 3.469 ( -6.223 -1.680 1.633) 6.650 3.717 ( 2.693 -1.182 -2.888) 4.122 3.752 ( 6.211 -0.027 -1.663) 6.430 4.017 ( 0.634 4.445 2.754) 5.267 4.215 ( -2.092 -2.776 -2.622) 4.354 4.430 ( -4.372 3.870 0.294) 5.846 4.985 ( 1.471 -8.103 -0.219) 8.238 5.770 ( 0.574 8.602 -3.434) 9.280 6.007 ( -4.837 2.480 1.383) 5.609 6.353 ( 2.543 18.703 1.968) 18.977 6.672 ( -0.833 3.055 -7.791) 8.410 6.811 ( -3.394 10.576 -0.966) 11.149 6.972 ( -8.523 1.422 8.569) 12.169 7.914 ( -0.390 -0.137 -2.274) 2.311 8.112 ( -3.593 -1.890 1.483) 4.322 10.056 ( -6.078 11.747 -6.271) 14.637 10.298 ( -0.789 3.942 0.885) 4.116 10.582 ( 2.765 -3.051 5.440) 6.822 10.917 ( 3.267 -1.786 -0.916) 3.834 11.352 ( 5.658 -0.242 4.814) 7.433 11.551 ( -1.192 -6.685 0.914) 6.851 11.770 ( 0.976 -3.550 2.889) 4.680 11.924 ( 3.532 1.705 -2.730) 4.779 12.460 ( -7.424 -6.886 -9.294) 13.744 12.709 ( -5.184 -5.425 -9.783) 12.329 14.771 ( -1.373 1.302 -1.214) 2.248 14.832 ( -2.287 -0.393 -0.397) 2.354 14.994 ( 0.117 1.449 4.686) 4.906 15.297 ( 1.760 -3.633 7.114) 8.179 22.255 ( 2.143 -3.096 1.676) 4.121 22.454 ( 4.180 -5.639 -3.883) 8.022 24.317 ( 6.591 -4.564 4.286) 9.091 24.607 ( 9.326 -9.817 5.778) 14.722 25.681 ( -2.931 20.938 -1.182) 21.175 26.419 ( -15.203 11.020 -1.680) 18.852 28.649 ( -0.052 0.648 0.375) 0.751 28.866 ( 0.246 -4.157 -0.437) 4.187 ======================= Grid point 21 (14/145) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( 7.685 8.624 4.859) 12.532 1.779 ( 1.116 7.840 -0.105) 7.920 1.990 ( 11.946 7.243 7.245) 15.737 2.192 ( -1.990 2.782 -0.231) 3.428 2.413 ( 1.758 -1.070 0.343) 2.086 2.552 ( 2.743 10.552 -2.783) 11.252 2.640 ( 1.765 6.323 2.350) 6.973 2.658 ( 0.809 4.054 -3.596) 5.479 2.932 ( 8.971 7.973 3.624) 12.537 3.229 ( 3.267 -5.527 1.379) 6.567 3.352 ( 0.774 -0.650 2.773) 2.951 3.418 ( -1.180 -2.384 2.623) 3.736 3.758 ( 2.488 -3.161 -0.377) 4.040 3.878 ( 6.577 3.264 -0.084) 7.343 4.045 ( -0.363 2.443 1.111) 2.708 4.168 ( -1.390 0.778 -1.357) 2.092 4.336 ( -4.448 4.140 -0.534) 6.100 4.947 ( -3.405 -6.758 -1.044) 7.639 5.767 ( 1.654 8.947 -3.299) 9.678 5.925 ( -4.592 3.975 2.069) 6.416 6.424 ( 2.886 17.205 2.026) 17.562 6.612 ( 0.459 2.219 -7.400) 7.740 6.747 ( -3.030 13.164 0.640) 13.523 6.857 ( -7.644 1.543 5.850) 9.748 7.895 ( -0.013 0.189 -2.079) 2.087 8.058 ( -2.809 -2.278 1.579) 3.946 9.925 ( -3.547 13.728 -3.909) 14.708 10.284 ( -0.711 3.660 0.200) 3.734 10.697 ( 4.201 -5.007 6.651) 9.325 10.928 ( -0.736 -3.721 -3.316) 5.038 11.480 ( 4.211 0.394 1.241) 4.407 11.545 ( -0.296 -0.283 2.492) 2.525 11.816 ( 1.638 -9.095 4.419) 10.243 12.009 ( 5.010 2.123 0.566) 5.471 12.270 ( -5.455 -10.082 -5.708) 12.806 12.516 ( -6.893 -4.103 -11.776) 14.249 14.752 ( -0.074 0.551 -0.595) 0.815 14.791 ( -1.776 -1.028 -0.066) 2.054 15.022 ( 0.021 1.206 2.868) 3.112 15.348 ( 0.134 -3.238 3.778) 4.978 22.311 ( 1.709 -3.077 2.660) 4.412 22.490 ( 2.185 -5.391 -3.565) 6.822 24.467 ( 5.336 -4.694 3.171) 7.782 24.795 ( 6.509 -8.521 3.321) 11.225 25.653 ( 0.815 18.099 -0.401) 18.122 26.132 ( -12.842 14.586 -1.341) 19.480 28.665 ( 1.070 0.368 0.308) 1.173 28.852 ( -1.046 -4.263 -0.412) 4.408 ======================= Grid point 22 (15/145) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( 0.000 6.369 0.000) 6.369 1.782 ( 0.000 5.374 0.000) 5.374 2.135 ( 0.000 6.800 -0.000) 6.800 2.215 ( 0.000 6.090 -0.000) 6.090 2.436 ( 0.000 0.182 0.000) 0.182 2.465 ( 0.000 12.667 0.000) 12.667 2.662 ( 0.000 8.344 -0.000) 8.344 2.711 ( 0.000 -0.818 0.000) 0.818 3.027 ( 0.000 2.725 0.000) 2.725 3.243 ( 0.000 -3.395 0.000) 3.395 3.382 ( 0.000 -3.420 0.000) 3.420 3.454 ( 0.000 2.104 0.000) 2.104 3.789 ( 0.000 -4.603 0.000) 4.603 3.967 ( -0.000 5.393 -0.000) 5.393 4.013 ( 0.000 -1.524 0.000) 1.524 4.143 ( 0.000 7.680 0.000) 7.680 4.293 ( 0.000 2.738 0.000) 2.738 4.900 ( 0.000 -6.711 0.000) 6.711 5.778 ( -0.000 8.958 0.000) 8.958 5.880 ( 0.000 4.554 -0.000) 4.554 6.465 ( 0.000 15.783 -0.000) 15.783 6.594 ( -0.000 2.203 0.000) 2.203 6.716 ( 0.000 14.454 0.000) 14.454 6.795 ( 0.000 1.795 -0.000) 1.795 7.887 ( 0.000 0.360 -0.000) 0.360 8.035 ( 0.000 -2.499 0.000) 2.499 9.876 ( 0.000 13.896 -0.000) 13.896 10.278 ( 0.000 3.286 -0.000) 3.286 10.790 ( 0.000 -4.637 -0.000) 4.637 10.879 ( 0.000 -5.515 0.000) 5.515 11.513 ( 0.000 -8.780 0.000) 8.780 11.564 ( -0.000 12.099 0.000) 12.099 11.870 ( 0.000 -9.796 0.000) 9.796 12.038 ( 0.000 -1.796 0.000) 1.796 12.262 ( 0.000 -9.587 -0.000) 9.587 12.342 ( 0.000 -2.619 0.000) 2.619 14.754 ( -0.000 0.694 0.000) 0.694 14.769 ( 0.000 -1.681 0.000) 1.681 15.032 ( 0.000 1.065 0.000) 1.065 15.361 ( 0.000 -3.063 0.000) 3.063 22.340 ( 0.000 -3.222 0.000) 3.222 22.497 ( 0.000 -5.179 0.000) 5.179 24.533 ( 0.000 -4.645 0.000) 4.645 24.874 ( 0.000 -7.912 0.000) 7.912 25.680 ( 0.000 14.907 -0.000) 14.907 25.976 ( 0.000 17.754 0.000) 17.754 28.679 ( 0.000 0.216 0.000) 0.216 28.837 ( 0.000 -4.204 0.000) 4.204 ======================= Grid point 27 (16/145) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( 0.000 22.156 0.000) 22.156 1.467 ( 0.000 19.464 0.000) 19.464 1.943 ( 0.000 -3.744 0.000) 3.744 2.143 ( 0.000 -5.011 0.000) 5.011 2.199 ( 0.000 -10.699 0.000) 10.699 2.207 ( 0.000 -2.734 0.000) 2.734 2.435 ( 0.000 2.503 0.000) 2.503 2.461 ( 0.000 -1.823 0.000) 1.823 2.711 ( 0.000 21.079 0.000) 21.079 3.143 ( 0.000 5.464 0.000) 5.464 3.478 ( 0.000 -1.166 0.000) 1.166 3.572 ( 0.000 -0.621 0.000) 0.621 3.608 ( 0.000 -2.599 0.000) 2.599 3.638 ( 0.000 -6.028 0.000) 6.028 4.260 ( 0.000 -0.760 0.000) 0.760 4.270 ( 0.000 0.037 0.000) 0.037 4.521 ( 0.000 1.241 0.000) 1.241 4.596 ( 0.000 -1.394 0.000) 1.394 5.920 ( 0.000 5.743 0.000) 5.743 6.095 ( 0.000 -2.072 0.000) 2.072 6.697 ( 0.000 17.089 0.000) 17.089 6.854 ( 0.000 5.030 0.000) 5.030 7.084 ( 0.000 5.277 0.000) 5.277 7.091 ( 0.000 0.906 0.000) 0.906 7.962 ( 0.000 2.341 0.000) 2.341 8.134 ( 0.000 -3.616 0.000) 3.616 10.260 ( 0.000 0.183 0.000) 0.183 10.291 ( 0.000 -0.600 0.000) 0.600 10.644 ( 0.000 2.369 0.000) 2.369 10.748 ( 0.000 -1.334 0.000) 1.334 11.128 ( 0.000 -0.735 0.000) 0.735 11.343 ( 0.000 -10.870 0.000) 10.870 11.882 ( 0.000 5.172 0.000) 5.172 11.954 ( 0.000 1.469 0.000) 1.469 12.688 ( 0.000 -0.959 0.000) 0.959 12.730 ( 0.000 -4.446 0.000) 4.446 14.928 ( 0.000 1.684 0.000) 1.684 14.929 ( 0.000 1.648 0.000) 1.648 14.996 ( 0.000 -0.784 0.000) 0.784 14.996 ( 0.000 -0.988 0.000) 0.988 22.161 ( 0.000 -1.388 0.000) 1.388 22.234 ( 0.000 -4.594 0.000) 4.594 24.108 ( 0.000 -3.981 0.000) 3.981 24.109 ( 0.000 -3.257 0.000) 3.257 26.246 ( 0.000 19.432 0.000) 19.432 26.790 ( 0.000 -6.111 0.000) 6.111 28.718 ( 0.000 0.602 0.000) 0.602 28.764 ( 0.000 -1.395 0.000) 1.395 ======================= Grid point 28 (17/145) ======================= q-point: ( 0.12 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.470 ( 9.445 18.396 3.044) 20.902 1.519 ( 8.304 16.698 1.304) 18.694 1.900 ( -2.593 -2.705 -2.792) 4.673 2.153 ( 4.189 -8.865 -3.221) 10.321 2.206 ( 2.189 -1.530 2.379) 3.577 2.301 ( 4.066 -5.597 2.133) 7.239 2.523 ( 8.724 3.501 4.343) 10.355 2.646 ( 12.345 -3.966 7.191) 14.827 2.737 ( 2.356 21.290 2.122) 21.525 3.116 ( -2.987 6.026 0.284) 6.732 3.442 ( -3.222 0.166 1.418) 3.524 3.542 ( -3.513 -3.557 -1.503) 5.220 3.623 ( 1.885 -3.290 -2.108) 4.339 3.640 ( 1.088 -3.794 -0.537) 3.984 4.137 ( -5.368 3.075 -1.733) 6.424 4.241 ( -2.767 -1.935 -2.667) 4.303 4.543 ( 0.714 3.563 2.272) 4.286 4.724 ( 7.338 -5.155 2.695) 9.364 5.917 ( -0.117 5.563 -0.516) 5.588 6.078 ( -1.624 -1.557 -0.483) 2.301 6.708 ( 0.798 16.563 0.743) 16.599 6.827 ( -1.371 4.720 -4.307) 6.535 7.046 ( -1.738 4.520 -2.683) 5.536 7.078 ( -3.231 2.310 3.366) 5.206 7.954 ( -0.916 2.385 0.461) 2.596 8.115 ( -2.795 -3.259 2.625) 5.032 10.269 ( -0.181 1.019 -1.050) 1.474 10.297 ( 0.049 -0.267 4.989) 4.996 10.614 ( -2.761 3.636 0.689) 4.617 10.786 ( 2.655 -3.320 1.161) 4.407 11.187 ( 4.880 -0.540 3.268) 5.898 11.359 ( 1.786 -9.537 -0.397) 9.711 11.823 ( -4.068 3.714 -3.353) 6.448 11.951 ( 0.407 0.589 -2.560) 2.658 12.583 ( -6.447 -0.427 -6.712) 9.317 12.716 ( -1.298 -4.432 -4.955) 6.773 14.856 ( -3.004 1.367 -2.218) 3.976 14.895 ( -3.542 0.018 -1.453) 3.828 14.993 ( 1.081 2.202 4.575) 5.191 15.114 ( 4.049 -3.037 5.310) 7.336 22.173 ( 1.398 -0.828 0.241) 1.643 22.272 ( 3.674 -5.078 -1.246) 6.390 24.131 ( 3.618 -1.603 2.896) 4.904 24.223 ( 7.198 -5.916 4.908) 10.530 26.200 ( -3.868 19.226 -1.499) 19.669 26.714 ( -6.721 -4.256 -2.203) 8.254 28.694 ( -1.467 1.567 -0.091) 2.148 28.782 ( 1.054 -2.544 -0.242) 2.764 ======================= Grid point 29 (18/145) ======================= q-point: ( 0.25 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( 5.229 11.908 3.535) 13.477 1.845 ( 7.244 3.581 1.034) 8.147 1.849 ( 9.626 7.947 1.522) 12.575 2.228 ( 2.364 -0.222 -0.608) 2.451 2.281 ( 4.761 -4.871 2.972) 7.431 2.408 ( 7.208 -6.160 -0.777) 9.514 2.711 ( 4.653 6.183 2.704) 8.197 2.870 ( 8.303 13.175 4.086) 16.100 2.932 ( 11.020 -2.421 6.828) 13.188 3.038 ( -4.200 7.451 -0.045) 8.553 3.394 ( -2.508 1.413 1.226) 3.129 3.437 ( -5.104 -1.179 0.488) 5.261 3.642 ( 2.303 -4.398 -3.286) 5.953 3.703 ( 6.006 -4.951 -0.362) 7.792 4.084 ( -0.804 2.539 0.563) 2.722 4.187 ( -0.237 -0.834 -1.562) 1.787 4.544 ( -2.329 6.395 1.267) 6.922 4.825 ( 1.343 -7.135 0.882) 7.314 5.910 ( -0.012 5.228 -1.044) 5.331 6.033 ( -2.584 -0.228 -0.273) 2.609 6.731 ( 0.772 13.562 0.377) 13.589 6.750 ( -2.321 4.415 -6.279) 8.019 6.985 ( -4.327 3.150 1.361) 5.523 7.034 ( -2.009 6.814 0.697) 7.138 7.935 ( -1.172 2.225 0.034) 2.515 8.067 ( -4.340 -2.578 4.008) 6.445 10.238 ( -2.141 5.751 -0.283) 6.143 10.343 ( 0.362 0.088 4.602) 4.617 10.574 ( -1.288 2.627 1.570) 3.321 10.831 ( 0.939 -6.341 -0.012) 6.410 11.334 ( 5.746 -1.535 2.966) 6.646 11.407 ( 3.638 -5.613 3.007) 7.333 11.726 ( -3.069 1.111 -2.020) 3.839 11.944 ( 1.263 -3.177 -2.303) 4.122 12.385 ( -7.814 1.897 -9.718) 12.613 12.610 ( -4.353 -4.783 -9.701) 11.659 14.794 ( -2.137 1.081 -1.109) 2.639 14.829 ( -2.697 -0.196 -0.623) 2.775 15.036 ( 0.241 2.687 4.350) 5.119 15.207 ( 1.885 -4.708 4.962) 7.095 22.217 ( 2.564 -0.334 0.960) 2.758 22.335 ( 3.715 -5.345 -2.187) 6.867 24.266 ( 6.947 -0.271 4.902) 8.507 24.425 ( 9.177 -7.390 5.865) 13.162 26.099 ( -4.645 18.145 -2.098) 18.847 26.529 ( -9.912 -0.458 -2.989) 10.363 28.677 ( -0.283 1.896 0.077) 1.919 28.788 ( -0.168 -3.340 -0.449) 3.374 ======================= Grid point 30 (19/145) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.713 ( 3.999 6.998 2.585) 8.465 1.831 ( -0.053 0.308 -0.498) 0.588 2.190 ( 13.153 9.038 4.878) 16.688 2.250 ( 0.616 3.569 -0.025) 3.622 2.373 ( 2.722 -2.712 2.126) 4.392 2.565 ( 8.373 -5.517 -1.196) 10.099 2.775 ( 1.080 8.374 1.126) 8.518 2.877 ( -5.241 9.666 -1.716) 11.128 3.012 ( 0.178 -1.863 2.330) 2.988 3.133 ( 3.078 -3.155 0.807) 4.481 3.369 ( -1.352 1.805 1.323) 2.615 3.445 ( 5.385 4.468 3.436) 7.795 3.666 ( 2.143 -4.252 -2.301) 5.288 3.840 ( 6.266 -6.203 0.606) 8.838 4.085 ( 0.807 4.577 1.134) 4.784 4.232 ( 4.392 1.388 1.044) 4.723 4.468 ( -5.374 7.861 -0.647) 9.545 4.796 ( -3.499 -7.488 -0.718) 8.296 5.908 ( 0.725 4.760 -0.956) 4.909 5.981 ( -2.598 1.319 0.139) 2.917 6.672 ( -0.770 3.345 -5.896) 6.823 6.732 ( -1.770 6.939 1.538) 7.324 6.924 ( -2.165 8.102 1.166) 8.466 7.012 ( -0.982 9.732 0.587) 9.799 7.915 ( -0.525 1.779 -0.795) 2.018 8.013 ( -3.549 -2.094 3.432) 5.362 10.192 ( -1.979 11.114 -0.429) 11.296 10.356 ( -0.901 2.858 1.611) 3.402 10.608 ( 2.183 -2.937 5.134) 6.305 10.809 ( -1.856 -7.773 -3.796) 8.848 11.367 ( -0.134 -3.771 -1.464) 4.047 11.558 ( 4.168 -9.387 5.465) 11.635 11.711 ( 2.631 5.403 2.877) 6.662 12.002 ( 4.312 -6.637 4.375) 9.043 12.173 ( -6.723 4.630 -10.206) 13.069 12.431 ( -6.379 -4.629 -11.629) 14.048 14.760 ( -0.847 0.477 -0.569) 1.126 14.783 ( -1.743 -0.132 -0.194) 1.758 15.061 ( -0.068 2.761 2.643) 3.823 15.255 ( 0.430 -5.368 2.854) 6.095 22.271 ( 1.896 -0.502 1.256) 2.329 22.377 ( 2.067 -5.005 -1.983) 5.767 24.425 ( 5.554 0.523 3.638) 6.659 24.619 ( 6.675 -7.870 3.877) 11.024 26.018 ( -2.187 15.859 -1.336) 16.065 26.328 ( -8.261 3.518 -2.252) 9.257 28.681 ( 0.540 1.275 0.073) 1.387 28.774 ( -0.841 -3.178 -0.311) 3.302 ======================= Grid point 31 (20/145) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.764 ( 0.000 4.806 0.000) 4.806 1.830 ( 0.000 0.840 0.000) 0.840 2.255 ( 0.000 4.653 0.000) 4.653 2.344 ( 0.000 5.428 -0.000) 5.428 2.424 ( 0.000 -0.407 -0.000) 0.407 2.652 ( 0.000 -3.986 0.000) 3.986 2.757 ( 0.000 12.133 0.000) 12.133 2.824 ( 0.000 6.552 -0.000) 6.552 3.012 ( 0.000 -2.594 0.000) 2.594 3.148 ( 0.000 -5.871 0.000) 5.871 3.359 ( 0.000 1.714 0.000) 1.714 3.536 ( 0.000 1.582 0.000) 1.582 3.684 ( 0.000 -2.428 0.000) 2.428 3.901 ( 0.000 -6.784 0.000) 6.784 4.121 ( 0.000 8.614 0.000) 8.614 4.298 ( 0.000 3.563 0.000) 3.563 4.388 ( 0.000 7.026 0.000) 7.026 4.742 ( 0.000 -8.224 0.000) 8.224 5.921 ( -0.000 4.426 0.000) 4.426 5.947 ( 0.000 2.079 0.000) 2.079 6.646 ( 0.000 2.775 0.000) 2.775 6.710 ( 0.000 3.310 -0.000) 3.310 6.912 ( 0.000 11.380 0.000) 11.380 7.003 ( 0.000 10.806 0.000) 10.806 7.907 ( 0.000 1.528 -0.000) 1.528 7.989 ( 0.000 -1.940 0.000) 1.940 10.170 ( 0.000 13.377 -0.000) 13.377 10.350 ( 0.000 3.501 -0.000) 3.501 10.681 ( 0.000 -5.567 -0.000) 5.567 10.744 ( 0.000 -7.509 0.000) 7.509 11.358 ( 0.000 -4.510 0.000) 4.510 11.592 ( 0.000 -13.588 0.000) 13.588 11.816 ( 0.000 10.186 0.000) 10.186 12.009 ( 0.000 -1.143 0.000) 1.143 12.144 ( 0.000 -2.020 -0.000) 2.020 12.268 ( 0.000 -4.479 0.000) 4.479 14.752 ( -0.000 -0.049 0.000) 0.049 14.764 ( 0.000 0.182 0.000) 0.182 15.069 ( 0.000 2.729 0.000) 2.729 15.267 ( 0.000 -5.506 0.000) 5.506 22.295 ( 0.000 -0.750 -0.000) 0.750 22.389 ( 0.000 -4.716 0.000) 4.716 24.496 ( 0.000 0.825 0.000) 0.825 24.701 ( 0.000 -7.992 0.000) 7.992 25.997 ( 0.000 14.073 -0.000) 14.073 26.229 ( 0.000 5.869 0.000) 5.869 28.689 ( 0.000 0.800 0.000) 0.800 28.762 ( 0.000 -2.888 0.000) 2.888 ======================= Grid point 36 (21/145) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.759 ( 0.000 -17.192 0.000) 17.192 1.759 ( 0.000 17.192 0.000) 17.192 1.817 ( 0.000 -15.253 0.000) 15.253 1.817 ( 0.000 15.253 0.000) 15.253 2.163 ( 0.000 -0.987 0.000) 0.987 2.163 ( 0.000 0.987 0.000) 0.987 2.443 ( 0.000 -0.014 0.000) 0.014 2.443 ( 0.000 0.014 0.000) 0.014 3.089 ( 0.000 -11.975 0.000) 11.975 3.089 ( 0.000 11.975 0.000) 11.975 3.503 ( 0.000 -4.704 0.000) 4.704 3.503 ( 0.000 4.704 0.000) 4.704 3.581 ( 0.000 -0.246 0.000) 0.246 3.581 ( 0.000 0.246 0.000) 0.246 4.259 ( 0.000 -0.598 0.000) 0.598 4.259 ( 0.000 0.598 0.000) 0.598 4.559 ( 0.000 -2.049 0.000) 2.049 4.559 ( 0.000 2.049 0.000) 2.049 6.026 ( 0.000 -4.348 0.000) 4.348 6.026 ( 0.000 4.348 0.000) 4.348 6.905 ( 0.000 -1.858 0.000) 1.858 6.905 ( 0.000 1.858 0.000) 1.858 7.120 ( 0.000 -1.490 0.000) 1.490 7.120 ( 0.000 1.490 0.000) 1.490 8.041 ( 0.000 -4.774 0.000) 4.774 8.041 ( 0.000 4.774 0.000) 4.774 10.271 ( 0.000 -0.917 0.000) 0.917 10.271 ( 0.000 0.917 0.000) 0.917 10.701 ( 0.000 -2.738 0.000) 2.738 10.701 ( 0.000 2.738 0.000) 2.738 11.170 ( 0.000 -5.095 0.000) 5.095 11.170 ( 0.000 5.095 0.000) 5.095 11.952 ( 0.000 -1.593 0.000) 1.593 11.952 ( 0.000 1.593 0.000) 1.593 12.682 ( 0.000 -0.631 0.000) 0.631 12.682 ( 0.000 0.631 0.000) 0.631 14.961 ( 0.000 -0.190 0.000) 0.190 14.961 ( 0.000 0.190 0.000) 0.190 14.972 ( 0.000 -0.180 0.000) 0.180 14.972 ( 0.000 0.180 0.000) 0.180 22.165 ( 0.000 -1.812 0.000) 1.812 22.165 ( 0.000 1.812 0.000) 1.812 24.070 ( 0.000 -0.227 0.000) 0.227 24.070 ( 0.000 0.227 0.000) 0.227 26.590 ( 0.000 -13.145 0.000) 13.145 26.590 ( 0.000 13.145 0.000) 13.145 28.737 ( 0.000 -1.141 0.000) 1.141 28.737 ( 0.000 1.141 0.000) 1.141 ======================= Grid point 38 (22/145) ======================= q-point: ( 0.12 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( 0.128 -9.043 -1.367) 9.147 1.777 ( 0.128 9.043 -1.367) 9.147 1.871 ( 8.563 -16.064 0.246) 18.205 1.871 ( 8.563 16.064 0.246) 18.205 2.211 ( 2.800 -2.441 2.436) 4.442 2.211 ( 2.800 2.441 2.436) 4.442 2.575 ( 10.339 -2.694 5.660) 12.090 2.575 ( 10.339 2.694 5.660) 12.090 3.095 ( 0.227 -10.088 1.098) 10.150 3.095 ( 0.227 10.088 1.098) 10.150 3.467 ( -2.798 -3.087 -0.271) 4.175 3.467 ( -2.798 3.087 -0.271) 4.175 3.587 ( 0.715 -1.014 -1.597) 2.022 3.587 ( 0.715 1.014 -1.597) 2.022 4.193 ( -3.676 -2.525 -2.139) 4.946 4.193 ( -3.676 2.525 -2.139) 4.946 4.627 ( 3.807 -4.327 2.697) 6.364 4.627 ( 3.807 4.327 2.697) 6.364 6.018 ( -0.720 -3.986 -0.380) 4.068 6.018 ( -0.720 3.986 -0.380) 4.068 6.888 ( -1.340 -0.478 -1.859) 2.341 6.888 ( -1.340 0.478 -1.859) 2.341 7.102 ( -1.179 -2.172 -0.680) 2.563 7.102 ( -1.179 2.172 -0.680) 2.563 8.030 ( -1.940 -4.452 2.418) 5.425 8.030 ( -1.940 4.452 2.418) 5.425 10.284 ( 0.272 -0.740 2.828) 2.936 10.284 ( 0.272 0.740 2.828) 2.936 10.700 ( -0.832 -4.447 1.403) 4.737 10.700 ( -0.832 4.447 1.403) 4.737 11.217 ( 4.292 -3.820 1.188) 5.867 11.217 ( 4.292 3.820 1.188) 5.867 11.907 ( -2.991 -3.898 -4.005) 6.339 11.907 ( -2.991 3.898 -4.005) 6.339 12.629 ( -3.381 -3.835 -5.447) 7.470 12.629 ( -3.381 3.835 -5.447) 7.470 14.883 ( -3.389 -1.078 -1.670) 3.929 14.883 ( -3.389 1.078 -1.670) 3.929 15.049 ( 2.360 -3.063 4.331) 5.806 15.049 ( 2.360 3.063 4.331) 5.806 22.190 ( 2.561 -2.482 -0.407) 3.590 22.190 ( 2.561 2.482 -0.407) 3.590 24.137 ( 5.327 -2.230 3.864) 6.948 24.137 ( 5.327 2.230 3.864) 6.948 26.537 ( -4.562 -12.554 -1.913) 13.493 26.537 ( -4.562 12.554 -1.913) 13.493 28.733 ( -0.256 -2.117 -0.227) 2.145 28.733 ( -0.256 2.117 -0.227) 2.145 ======================= Grid point 40 (23/145) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.784 ( 1.466 -5.555 -0.680) 5.786 1.784 ( 1.466 5.555 -0.680) 5.786 2.100 ( 12.316 -10.742 3.449) 16.703 2.100 ( 12.316 10.742 3.449) 16.703 2.285 ( 3.898 -4.393 1.148) 5.984 2.285 ( 3.898 4.393 1.148) 5.984 2.813 ( 8.177 -4.592 4.659) 10.471 2.813 ( 8.177 4.592 4.659) 10.471 3.100 ( -1.165 -3.724 0.816) 3.986 3.100 ( -1.165 3.724 0.816) 3.986 3.429 ( -0.679 -0.678 1.208) 1.543 3.429 ( -0.679 0.678 1.208) 1.543 3.600 ( 3.004 -2.434 -1.885) 4.302 3.600 ( 3.004 2.434 -1.885) 4.302 4.145 ( 0.079 -3.021 -0.518) 3.066 4.145 ( 0.079 3.021 -0.518) 3.066 4.682 ( -0.140 -6.670 1.409) 6.819 4.682 ( -0.140 6.670 1.409) 6.819 5.997 ( -1.030 -3.066 -0.502) 3.273 5.997 ( -1.030 3.066 -0.502) 3.273 6.824 ( -3.160 -2.170 -3.685) 5.318 6.824 ( -3.160 2.170 -3.685) 5.318 7.084 ( -0.347 -3.236 0.420) 3.281 7.084 ( -0.347 3.236 0.420) 3.281 8.000 ( -3.009 -3.612 3.071) 5.615 8.000 ( -3.009 3.612 3.071) 5.615 10.317 ( 0.471 -2.328 4.516) 5.103 10.317 ( 0.471 2.328 4.516) 5.103 10.680 ( -1.771 -6.983 -0.049) 7.204 10.680 ( -1.771 6.983 -0.049) 7.204 11.329 ( 4.906 -1.772 2.403) 5.743 11.329 ( 4.906 1.772 2.403) 5.743 11.819 ( -2.132 -6.684 -2.975) 7.621 11.819 ( -2.132 6.684 -2.975) 7.621 12.493 ( -5.262 -6.309 -9.381) 12.469 12.493 ( -5.262 6.309 -9.381) 12.469 14.817 ( -2.593 -0.951 -0.787) 2.871 14.817 ( -2.593 0.951 -0.787) 2.871 15.110 ( 0.952 -4.320 4.147) 6.063 15.110 ( 0.952 4.320 4.147) 6.063 22.245 ( 3.199 -2.959 -0.571) 4.395 22.245 ( 3.199 2.959 -0.571) 4.395 24.305 ( 8.069 -3.889 5.467) 10.494 24.305 ( 8.069 3.889 5.467) 10.494 26.409 ( -6.538 -10.756 -2.768) 12.888 26.409 ( -6.538 10.756 -2.768) 12.888 28.725 ( -0.340 -2.690 -0.249) 2.723 28.725 ( -0.340 2.690 -0.249) 2.723 ======================= Grid point 42 (24/145) ======================= q-point: ( 0.38 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.813 ( 1.401 -2.469 0.071) 2.840 1.813 ( 1.401 2.469 0.071) 2.840 2.298 ( 3.841 -3.434 3.268) 6.101 2.298 ( 3.841 3.434 3.268) 6.101 2.411 ( 8.987 -8.560 0.730) 12.433 2.411 ( 8.987 8.560 0.730) 12.433 2.917 ( 1.175 -5.494 1.716) 5.874 2.917 ( 1.175 5.494 1.716) 5.874 3.046 ( -3.392 -5.869 -1.028) 6.856 3.046 ( -3.392 5.869 -1.028) 6.856 3.442 ( 0.379 -4.358 0.732) 4.436 3.442 ( 0.379 4.358 0.732) 4.436 3.695 ( 5.923 -6.451 0.267) 8.762 3.695 ( 5.923 6.451 0.267) 8.762 4.194 ( 4.433 -4.500 1.653) 6.530 4.194 ( 4.433 4.500 1.653) 6.530 4.636 ( -4.447 -7.883 -0.645) 9.073 4.636 ( -4.447 7.883 -0.645) 9.073 5.976 ( -0.739 -1.784 -0.316) 1.957 5.976 ( -0.739 1.784 -0.316) 1.957 6.740 ( -2.689 -2.687 -2.861) 4.758 6.740 ( -2.689 2.687 -2.861) 4.758 7.089 ( 0.199 -3.196 0.698) 3.278 7.089 ( 0.199 3.196 0.698) 3.278 7.964 ( -2.296 -2.619 1.984) 4.008 7.964 ( -2.296 2.619 1.984) 4.008 10.358 ( 0.570 -4.010 4.118) 5.776 10.358 ( 0.570 4.010 4.118) 5.776 10.637 ( -1.759 -6.602 -1.739) 7.050 10.637 ( -1.759 6.602 -1.739) 7.050 11.383 ( 0.027 -5.283 -0.598) 5.317 11.383 ( 0.027 5.283 -0.598) 5.317 11.849 ( 4.613 -7.062 5.364) 9.996 11.849 ( 4.613 7.062 5.364) 9.996 12.311 ( -6.187 -6.752 -10.915) 14.248 12.311 ( -6.187 6.752 -10.915) 14.248 14.774 ( -1.406 -0.705 -0.347) 1.611 14.774 ( -1.406 0.705 -0.347) 1.611 15.142 ( 0.145 -4.932 2.491) 5.528 15.142 ( 0.145 4.932 2.491) 5.528 22.294 ( 2.018 -2.672 -0.384) 3.370 22.294 ( 2.018 2.672 -0.384) 3.370 24.483 ( 6.151 -4.824 3.881) 8.727 24.483 ( 6.151 4.824 3.881) 8.727 26.277 ( -4.796 -8.023 -2.013) 9.561 26.277 ( -4.796 8.023 -2.013) 9.561 28.718 ( -0.247 -2.209 -0.148) 2.227 28.718 ( -0.247 2.209 -0.148) 2.227 ======================= Grid point 44 (25/145) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 73 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.828 ( 0.000 -1.308 0.000) 1.308 1.828 ( 0.000 1.308 0.000) 1.308 2.338 ( 0.000 -3.368 0.000) 3.368 2.338 ( 0.000 3.368 0.000) 3.368 2.523 ( 0.000 -7.197 0.000) 7.197 2.523 ( 0.000 7.197 -0.000) 7.197 2.921 ( 0.000 -1.431 0.000) 1.431 2.921 ( 0.000 1.431 0.000) 1.431 3.006 ( -0.000 -6.445 -0.000) 6.445 3.006 ( 0.000 6.445 0.000) 6.445 3.447 ( 0.000 -6.081 0.000) 6.081 3.447 ( 0.000 6.081 -0.000) 6.081 3.759 ( 0.000 -6.398 0.000) 6.398 3.759 ( 0.000 6.398 0.000) 6.398 4.275 ( 0.000 -4.969 0.000) 4.969 4.275 ( 0.000 4.969 0.000) 4.969 4.563 ( 0.000 -8.734 0.000) 8.734 4.563 ( 0.000 8.734 0.000) 8.734 5.967 ( 0.000 -0.300 0.000) 0.300 5.967 ( 0.000 0.300 -0.000) 0.300 6.702 ( 0.000 -2.213 0.000) 2.213 6.702 ( 0.000 2.213 0.000) 2.213 7.094 ( 0.000 -2.933 0.000) 2.933 7.094 ( 0.000 2.933 -0.000) 2.933 7.947 ( 0.000 -2.099 0.000) 2.099 7.947 ( 0.000 2.099 -0.000) 2.099 10.380 ( 0.000 -3.919 -0.000) 3.919 10.380 ( 0.000 3.919 0.000) 3.919 10.609 ( 0.000 -1.838 0.000) 1.838 10.609 ( 0.000 1.838 0.000) 1.838 11.371 ( 0.000 -6.108 0.000) 6.108 11.371 ( 0.000 6.108 0.000) 6.108 11.968 ( -0.000 -3.760 -0.000) 3.760 11.968 ( 0.000 3.760 0.000) 3.760 12.168 ( -0.000 -4.095 -0.000) 4.095 12.168 ( 0.000 4.095 0.000) 4.095 14.759 ( 0.000 -0.517 0.000) 0.517 14.759 ( 0.000 0.517 0.000) 0.517 15.152 ( 0.000 -5.076 0.000) 5.076 15.152 ( 0.000 5.076 0.000) 5.076 22.313 ( 0.000 -2.379 0.000) 2.379 22.313 ( 0.000 2.379 0.000) 2.379 24.560 ( 0.000 -5.145 0.000) 5.145 24.560 ( 0.000 5.145 -0.000) 5.145 26.220 ( 0.000 -6.288 0.000) 6.288 26.220 ( 0.000 6.288 0.000) 6.288 28.715 ( 0.000 -1.706 0.000) 1.706 28.715 ( 0.000 1.706 0.000) 1.706 ======================= Grid point 81 (26/145) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 145 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.331 ( -8.591 0.000 17.059) 19.100 0.488 ( 2.827 0.000 23.264) 23.435 0.790 ( 14.701 0.000 38.041) 40.783 1.946 ( 4.920 0.000 -2.443) 5.493 2.245 ( -3.037 0.000 3.281) 4.471 2.246 ( 1.606 0.000 -3.686) 4.021 2.307 ( 0.784 0.000 -3.216) 3.310 2.476 ( -4.934 0.000 2.217) 5.410 2.808 ( -0.868 0.000 -3.312) 3.424 2.838 ( 8.448 0.000 8.523) 12.000 3.424 ( -0.048 0.000 -3.135) 3.135 3.572 ( 2.920 0.000 -7.227) 7.794 3.596 ( -0.131 0.000 1.939) 1.944 3.842 ( 4.353 0.000 -4.628) 6.354 4.094 ( 5.000 0.000 -1.500) 5.220 4.368 ( -34.683 0.000 -0.279) 34.684 4.545 ( -2.681 0.000 -0.833) 2.807 4.872 ( 25.237 0.000 1.896) 25.309 5.242 ( -3.248 0.000 0.915) 3.375 5.807 ( 4.283 0.000 -4.961) 6.555 6.146 ( -0.199 0.000 7.411) 7.413 6.522 ( 0.597 0.000 -15.507) 15.518 6.616 ( 0.629 0.000 -0.028) 0.630 7.096 ( 4.209 0.000 0.889) 4.302 8.134 ( -10.796 0.000 13.428) 17.230 8.957 ( -27.348 0.000 11.931) 29.837 9.663 ( -3.416 0.000 -2.311) 4.125 10.185 ( -2.889 0.000 -4.469) 5.322 10.574 ( 6.053 0.000 8.263) 10.243 10.801 ( -18.386 0.000 2.191) 18.516 11.382 ( -1.118 0.000 -2.865) 3.075 11.471 ( 5.224 0.000 -0.012) 5.224 11.850 ( 5.034 0.000 -0.723) 5.086 11.958 ( 10.627 0.000 -0.570) 10.643 12.684 ( -4.081 0.000 -7.599) 8.625 13.049 ( -2.556 0.000 -9.020) 9.375 14.704 ( -0.007 0.000 0.494) 0.495 14.896 ( -0.041 0.000 -0.457) 0.459 14.916 ( 1.941 0.000 2.093) 2.855 15.404 ( 26.514 0.000 3.745) 26.777 22.525 ( 1.766 0.000 4.373) 4.716 23.152 ( -72.327 0.000 -1.551) 72.343 24.318 ( 1.799 0.000 1.054) 2.085 24.955 ( 0.080 0.000 -2.548) 2.549 25.069 ( -0.262 0.000 1.968) 1.985 25.727 ( 56.413 0.000 -1.154) 56.425 28.713 ( -1.065 0.000 0.174) 1.079 28.828 ( 6.093 0.000 -0.209) 6.097 ======================= Grid point 82 (27/145) ======================= q-point: ( 0.12 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.724 ( 23.509 0.000 12.709) 26.724 0.759 ( 9.133 0.000 17.571) 19.803 1.402 ( 23.012 0.000 27.184) 35.617 2.024 ( 4.169 0.000 0.036) 4.170 2.212 ( -2.442 0.000 2.151) 3.254 2.264 ( 5.177 0.000 -10.962) 12.123 2.343 ( 0.888 0.000 5.110) 5.186 2.455 ( 2.509 0.000 1.897) 3.146 2.727 ( -4.649 0.000 -4.617) 6.552 3.113 ( 13.744 0.000 3.662) 14.224 3.405 ( 0.362 0.000 -3.113) 3.134 3.570 ( 0.388 0.000 -3.957) 3.976 3.596 ( -1.025 0.000 1.741) 2.021 3.709 ( -7.882 0.000 -0.786) 7.921 4.008 ( -5.611 0.000 6.783) 8.803 4.216 ( 2.832 0.000 -2.256) 3.621 4.492 ( -3.380 0.000 -1.471) 3.686 5.162 ( 8.127 0.000 -12.379) 14.808 5.220 ( 0.973 0.000 -1.162) 1.516 5.866 ( 4.140 0.000 -2.587) 4.882 6.151 ( -4.389 0.000 7.809) 8.958 6.440 ( 0.766 0.000 -13.775) 13.796 6.596 ( -2.692 0.000 0.028) 2.692 7.108 ( -1.491 0.000 -3.597) 3.893 7.992 ( -11.054 0.000 14.200) 17.995 8.658 ( -16.517 0.000 26.705) 31.400 9.579 ( -2.815 0.000 -3.684) 4.636 10.133 ( -0.075 0.000 -2.106) 2.107 10.740 ( 2.517 0.000 3.675) 4.454 10.760 ( 6.807 0.000 8.387) 10.801 11.326 ( -2.070 0.000 -4.554) 5.002 11.612 ( 7.699 0.000 4.007) 8.679 11.836 ( -1.776 0.000 -0.953) 2.015 12.066 ( 2.857 0.000 -3.168) 4.266 12.532 ( -4.628 0.000 -10.472) 11.450 12.912 ( -4.706 0.000 -12.741) 13.582 14.711 ( 0.298 0.000 0.599) 0.669 14.885 ( -0.615 0.000 -0.571) 0.839 14.970 ( 1.791 0.000 2.660) 3.206 15.610 ( -1.138 0.000 1.859) 2.179 22.444 ( -14.191 0.000 12.202) 18.716 22.614 ( 0.483 0.000 8.446) 8.459 24.409 ( 6.852 0.000 0.908) 6.912 24.943 ( 0.490 0.000 -2.424) 2.473 25.073 ( -0.585 0.000 1.732) 1.829 26.057 ( -0.768 0.000 -7.170) 7.211 28.679 ( -1.586 0.000 -0.244) 1.605 28.956 ( 4.850 0.000 -2.586) 5.497 ======================= Grid point 83 (28/145) ======================= q-point: ( 0.25 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 145 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( 8.686 0.000 10.655) 13.747 1.199 ( 15.855 0.000 13.520) 20.836 1.969 ( 21.347 0.000 10.228) 23.671 2.113 ( 4.485 0.000 2.215) 5.002 2.166 ( -3.561 0.000 -0.383) 3.582 2.233 ( -4.935 0.000 0.005) 4.935 2.439 ( 8.822 0.000 -1.907) 9.025 2.585 ( -6.232 0.000 -3.966) 7.387 2.603 ( 9.132 0.000 3.584) 9.810 3.373 ( 11.900 0.000 -0.328) 11.904 3.398 ( 0.800 0.000 -2.439) 2.566 3.534 ( -2.428 0.000 2.175) 3.260 3.584 ( -1.209 0.000 1.319) 1.789 3.662 ( 3.853 0.000 -7.573) 8.497 3.943 ( -4.727 0.000 1.744) 5.038 4.238 ( 1.394 0.000 -4.888) 5.083 4.399 ( -5.734 0.000 0.374) 5.746 5.129 ( -1.727 0.000 -8.250) 8.429 5.257 ( 4.044 0.000 -2.527) 4.768 5.898 ( -1.098 0.000 -0.492) 1.204 6.118 ( -2.485 0.000 6.340) 6.809 6.367 ( 1.220 0.000 -12.516) 12.575 6.516 ( -5.164 0.000 -0.773) 5.222 7.004 ( -5.116 0.000 -7.525) 9.100 7.907 ( -7.486 0.000 12.434) 14.514 8.585 ( -11.399 0.000 28.014) 30.244 9.522 ( -0.943 0.000 -1.635) 1.887 10.144 ( 1.764 0.000 -0.504) 1.834 10.838 ( 4.163 0.000 3.476) 5.423 10.928 ( 5.087 0.000 5.991) 7.859 11.250 ( -2.036 0.000 -4.902) 5.308 11.783 ( -1.113 0.000 6.196) 6.295 11.816 ( 8.144 0.000 -2.524) 8.526 12.089 ( 1.407 0.000 -1.370) 1.964 12.393 ( -2.404 0.000 -8.292) 8.633 12.714 ( -6.229 0.000 -12.524) 13.988 14.723 ( 0.427 0.000 0.641) 0.770 14.867 ( -0.848 0.000 -0.591) 1.033 15.011 ( 0.792 0.000 1.470) 1.670 15.547 ( -5.864 0.000 3.133) 6.648 22.376 ( -1.495 0.000 2.584) 2.985 22.703 ( 1.093 0.000 12.128) 12.177 24.583 ( 11.382 0.000 -2.468) 11.647 24.942 ( 1.013 0.000 -2.009) 2.250 25.069 ( -0.931 0.000 1.515) 1.779 25.882 ( -11.675 0.000 -4.450) 12.494 28.662 ( -0.163 0.000 0.267) 0.313 28.987 ( 0.513 0.000 -1.786) 1.858 ======================= Grid point 84 (29/145) ======================= q-point: ( 0.38 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( 4.555 0.000 5.000) 6.763 1.495 ( 5.743 0.000 10.534) 11.997 2.042 ( -5.927 0.000 -8.918) 10.708 2.113 ( -6.303 0.000 1.647) 6.515 2.237 ( 4.830 0.000 7.533) 8.948 2.308 ( 10.228 0.000 -2.846) 10.616 2.469 ( -3.729 0.000 -0.794) 3.813 2.610 ( 8.925 0.000 -1.644) 9.075 2.799 ( 6.792 0.000 4.835) 8.337 3.404 ( 1.213 0.000 -1.322) 1.794 3.514 ( -1.762 0.000 2.201) 2.819 3.559 ( 8.498 0.000 -4.485) 9.609 3.569 ( -1.108 0.000 0.640) 1.279 3.692 ( 4.229 0.000 -8.427) 9.429 3.873 ( -2.106 0.000 -2.194) 3.041 4.178 ( -3.103 0.000 -5.564) 6.370 4.311 ( -3.196 0.000 2.080) 3.813 5.048 ( -1.677 0.000 -3.986) 4.324 5.337 ( 6.115 0.000 -2.933) 6.782 5.817 ( -6.734 0.000 2.561) 7.204 6.140 ( 0.348 0.000 0.894) 0.959 6.335 ( 4.131 0.000 -11.217) 11.953 6.409 ( -4.342 0.000 -0.739) 4.404 6.835 ( -5.593 0.000 -9.813) 11.295 7.867 ( -4.975 0.000 11.301) 12.348 8.579 ( -9.598 0.000 29.771) 31.280 9.524 ( 0.869 0.000 2.072) 2.247 10.178 ( 1.548 0.000 0.237) 1.566 10.922 ( 1.960 0.000 3.142) 3.703 11.000 ( -0.058 0.000 -1.858) 1.859 11.215 ( 1.051 0.000 0.175) 1.065 11.757 ( -1.340 0.000 -0.536) 1.443 11.967 ( 4.195 0.000 0.601) 4.238 12.088 ( -0.091 0.000 -4.307) 4.308 12.368 ( 2.828 0.000 1.044) 3.014 12.561 ( -0.803 0.000 -6.621) 6.669 14.734 ( 0.220 0.000 0.614) 0.652 14.849 ( -0.511 0.000 -0.518) 0.727 15.015 ( -0.601 0.000 -0.713) 0.932 15.447 ( -5.390 0.000 -0.065) 5.390 22.361 ( -0.249 0.000 -3.339) 3.348 22.811 ( -0.242 0.000 16.556) 16.558 24.796 ( 13.946 0.000 -8.299) 16.228 24.953 ( 1.331 0.000 -1.556) 2.047 25.060 ( -1.088 0.000 1.451) 1.813 25.583 ( -15.242 0.000 -5.035) 16.052 28.671 ( 0.604 0.000 0.344) 0.695 28.972 ( -0.572 0.000 -1.139) 1.275 ======================= Grid point 85 (30/145) ======================= q-point: (-0.50 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 145 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( -4.188 0.000 1.300) 4.385 1.507 ( -9.290 0.000 1.451) 9.402 1.860 ( -4.207 0.000 -11.138) 11.906 2.068 ( 0.194 0.000 3.412) 3.417 2.352 ( -1.303 0.000 -5.971) 6.111 2.370 ( 1.152 0.000 6.051) 6.160 2.446 ( 3.093 0.000 2.225) 3.810 2.709 ( 0.888 0.000 -0.415) 0.981 2.860 ( -3.419 0.000 1.701) 3.818 3.427 ( 1.512 0.000 0.110) 1.516 3.465 ( -2.956 0.000 -3.134) 4.308 3.550 ( -0.956 0.000 -0.330) 1.011 3.609 ( -0.698 0.000 -8.726) 8.754 3.733 ( 0.274 0.000 -4.425) 4.433 3.766 ( -0.101 0.000 -4.694) 4.695 4.193 ( 6.328 0.000 1.396) 6.481 4.296 ( 0.540 0.000 0.318) 0.627 5.021 ( 1.904 0.000 -3.550) 4.029 5.452 ( 7.384 0.000 -1.846) 7.611 5.707 ( -6.253 0.000 2.998) 6.935 6.084 ( -4.373 0.000 -4.534) 6.299 6.382 ( 8.111 0.000 -10.108) 12.960 6.386 ( 1.682 0.000 0.857) 1.887 6.688 ( -1.712 0.000 -11.247) 11.377 7.870 ( -2.707 0.000 11.548) 11.861 8.614 ( -8.162 0.000 31.477) 32.518 9.577 ( 1.767 0.000 5.553) 5.828 10.199 ( 0.273 0.000 0.703) 0.754 10.920 ( -3.783 0.000 -7.618) 8.506 10.956 ( -0.440 0.000 3.358) 3.387 11.274 ( 2.637 0.000 3.421) 4.319 11.705 ( -3.235 0.000 -4.067) 5.197 11.980 ( -0.976 0.000 -1.084) 1.459 12.032 ( -1.049 0.000 -6.603) 6.686 12.474 ( 4.868 0.000 6.051) 7.766 12.646 ( 9.019 0.000 3.456) 9.659 14.736 ( -0.386 0.000 0.478) 0.614 14.844 ( 0.382 0.000 -0.340) 0.511 14.979 ( -1.695 0.000 -3.054) 3.493 15.343 ( -4.043 0.000 -3.936) 5.642 22.327 ( 0.112 0.000 -4.961) 4.962 22.903 ( -2.813 0.000 19.268) 19.472 24.947 ( 6.009 0.000 -14.834) 16.005 24.969 ( 1.237 0.000 -1.293) 1.790 25.050 ( -0.942 0.000 1.540) 1.805 25.297 ( -6.965 0.000 -5.497) 8.873 28.675 ( -0.555 0.000 0.074) 0.560 28.966 ( 0.789 0.000 -0.588) 0.984 ======================= Grid point 86 (31/145) ======================= q-point: (-0.38 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( -14.395 0.000 -1.559) 14.480 1.208 ( -18.204 0.000 -7.393) 19.647 1.776 ( 2.275 0.000 -8.687) 8.980 2.054 ( -9.138 0.000 -1.777) 9.309 2.248 ( -4.557 0.000 4.610) 6.482 2.364 ( -2.560 0.000 2.826) 3.813 2.589 ( 6.805 0.000 3.714) 7.753 2.590 ( -9.728 0.000 -5.519) 11.184 2.776 ( -5.527 0.000 4.763) 7.296 3.315 ( -11.571 0.000 -9.231) 14.802 3.460 ( 1.182 0.000 1.372) 1.811 3.461 ( -0.115 0.000 -9.227) 9.228 3.530 ( -0.376 0.000 -1.334) 1.386 3.674 ( -0.316 0.000 -6.288) 6.296 3.863 ( 4.456 0.000 2.774) 5.248 4.325 ( 5.247 0.000 -0.719) 5.296 4.332 ( 2.537 0.000 2.228) 3.376 5.093 ( 8.709 0.000 -5.714) 10.417 5.544 ( -3.066 0.000 5.899) 6.648 5.659 ( 4.975 0.000 -4.678) 6.829 5.969 ( -3.176 0.000 -4.280) 5.330 6.444 ( 3.481 0.000 -0.124) 3.483 6.507 ( 11.302 0.000 -8.392) 14.077 6.627 ( 3.488 0.000 -12.715) 13.185 7.916 ( -1.151 0.000 13.254) 13.304 8.686 ( -6.799 0.000 32.692) 33.392 9.657 ( 1.716 0.000 7.417) 7.613 10.202 ( -0.490 0.000 1.449) 1.530 10.774 ( -5.459 0.000 -8.961) 10.493 10.965 ( -1.573 0.000 6.524) 6.711 11.342 ( 2.162 0.000 2.684) 3.447 11.583 ( -4.367 0.000 -7.893) 9.020 11.950 ( -1.712 0.000 -1.520) 2.289 11.982 ( -0.351 0.000 -3.854) 3.870 12.625 ( 5.544 0.000 7.075) 8.988 12.863 ( 9.660 0.000 4.275) 10.564 14.727 ( -0.782 0.000 0.319) 0.845 14.857 ( 1.045 0.000 -0.172) 1.059 14.918 ( -1.697 0.000 -4.527) 4.834 15.237 ( -3.252 0.000 -7.079) 7.790 22.318 ( 2.063 0.000 -2.704) 3.401 22.973 ( -3.955 0.000 23.489) 23.819 24.770 ( -10.811 0.000 -9.085) 14.122 24.981 ( 0.801 0.000 -1.327) 1.550 25.045 ( -0.590 0.000 1.685) 1.785 25.293 ( 9.126 0.000 -18.261) 20.414 28.656 ( -1.084 0.000 0.033) 1.084 28.989 ( 1.612 0.000 -0.702) 1.758 ======================= Grid point 87 (32/145) ======================= q-point: (-0.25 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 145 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.732 ( -17.969 0.000 0.743) 17.985 0.753 ( -21.348 0.000 -10.864) 23.953 1.612 ( -33.518 0.000 2.917) 33.645 1.802 ( 4.894 0.000 -6.026) 7.763 2.268 ( 1.162 0.000 2.182) 2.472 2.328 ( -3.116 0.000 2.888) 4.249 2.399 ( -6.321 0.000 -1.703) 6.547 2.715 ( -4.382 0.000 6.550) 7.880 2.725 ( 5.433 0.000 1.109) 5.545 2.989 ( -13.684 0.000 -11.342) 17.773 3.460 ( 5.069 0.000 -7.719) 9.234 3.470 ( -0.542 0.000 -0.599) 0.808 3.536 ( 1.465 0.000 0.557) 1.567 3.624 ( -0.125 0.000 -5.736) 5.737 3.940 ( 0.918 0.000 5.054) 5.137 4.377 ( 1.290 0.000 4.213) 4.406 4.429 ( 5.167 0.000 -0.356) 5.179 5.221 ( 8.654 0.000 -13.227) 15.807 5.452 ( -8.330 0.000 5.493) 9.978 5.749 ( 5.706 0.000 -8.637) 10.352 5.954 ( 3.085 0.000 1.947) 3.648 6.512 ( 3.817 0.000 -0.676) 3.877 6.629 ( 5.736 0.000 -15.457) 16.487 6.698 ( 12.879 0.000 -4.361) 13.598 8.004 ( -0.025 0.000 16.499) 16.499 8.798 ( -4.185 0.000 33.877) 34.135 9.724 ( 0.035 0.000 6.009) 6.009 10.216 ( 0.839 0.000 2.970) 3.086 10.601 ( -6.120 0.000 -8.163) 10.203 11.008 ( 0.001 0.000 13.899) 13.899 11.389 ( 1.313 0.000 1.097) 1.711 11.466 ( -1.977 0.000 -7.062) 7.334 11.870 ( -2.819 0.000 -11.429) 11.772 11.957 ( -1.868 0.000 1.503) 2.397 12.748 ( 2.684 0.000 4.054) 4.862 13.050 ( 7.740 0.000 0.342) 7.747 14.714 ( -0.708 0.000 0.282) 0.762 14.865 ( -0.592 0.000 -4.233) 4.275 14.877 ( 1.061 0.000 -0.165) 1.074 15.115 ( -4.297 0.000 -7.997) 9.079 22.375 ( 4.171 0.000 0.575) 4.211 23.142 ( 3.455 0.000 38.953) 39.106 24.523 ( -9.629 0.000 -3.399) 10.212 24.981 ( 0.319 0.000 -1.723) 1.752 25.049 ( -0.282 0.000 1.886) 1.907 25.255 ( 2.653 0.000 -34.486) 34.588 28.651 ( 0.683 0.000 0.355) 0.770 28.995 ( -0.517 0.000 -2.430) 2.485 ======================= Grid point 88 (33/145) ======================= q-point: (-0.12 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.395 ( -8.869 0.000 15.325) 17.706 0.453 ( -13.362 0.000 13.566) 19.042 0.920 ( -39.583 0.000 9.319) 40.665 1.868 ( 5.356 0.000 -4.205) 6.810 2.264 ( -1.176 0.000 -2.204) 2.498 2.285 ( -3.346 0.000 3.236) 4.655 2.333 ( -2.124 0.000 2.939) 3.626 2.650 ( -11.209 0.000 -4.574) 12.106 2.727 ( -1.441 0.000 4.006) 4.257 2.805 ( 2.752 0.000 -1.385) 3.081 3.448 ( -0.468 0.000 -2.441) 2.485 3.549 ( 6.541 0.000 -7.616) 10.039 3.573 ( 1.125 0.000 1.886) 2.196 3.642 ( 8.378 0.000 0.094) 8.378 3.990 ( 1.257 0.000 6.168) 6.294 4.476 ( 5.988 0.000 8.991) 10.803 4.512 ( 3.291 0.000 1.340) 3.553 5.107 ( -11.506 0.000 -27.562) 29.867 5.329 ( -6.998 0.000 3.234) 7.709 5.773 ( 3.766 0.000 -7.754) 8.620 6.063 ( 3.870 0.000 5.771) 6.948 6.578 ( 3.210 0.000 -0.456) 3.242 6.609 ( 3.341 0.000 -18.221) 18.525 6.929 ( 11.503 0.000 0.840) 11.534 8.127 ( -0.338 0.000 17.444) 17.447 9.016 ( 4.911 0.000 26.738) 27.185 9.726 ( -2.487 0.000 1.675) 2.998 10.254 ( -0.110 0.000 -0.398) 0.413 10.477 ( -1.277 0.000 -0.149) 1.285 11.188 ( 4.308 0.000 13.794) 14.451 11.404 ( 0.149 0.000 -0.847) 0.860 11.427 ( 1.581 0.000 -3.347) 3.701 11.635 ( -8.478 0.000 -16.572) 18.615 11.927 ( -2.502 0.000 2.767) 3.730 12.768 ( -1.274 0.000 -1.872) 2.264 13.134 ( 1.953 0.000 -6.672) 6.952 14.705 ( -0.387 0.000 0.363) 0.530 14.855 ( 2.198 0.000 0.643) 2.290 14.893 ( 0.612 0.000 -0.291) 0.678 15.004 ( -1.489 0.000 4.387) 4.633 22.458 ( 3.163 0.000 1.880) 3.680 23.872 ( 42.213 0.000 55.767) 69.942 24.382 ( -3.914 0.000 3.191) 5.050 24.780 ( -25.522 0.000 -45.565) 52.226 24.971 ( 0.021 0.000 -2.267) 2.267 25.059 ( -0.148 0.000 2.041) 2.047 28.683 ( 1.998 0.000 0.476) 2.053 28.911 ( -5.877 0.000 -5.517) 8.061 ======================= Grid point 89 (34/145) ======================= q-point: ( 0.00 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.534 ( -2.132 16.566 10.317) 19.632 0.742 ( 8.139 16.110 17.460) 25.112 1.257 ( 4.092 36.309 21.088) 42.188 1.999 ( 2.126 1.597 -2.212) 3.459 2.217 ( -1.459 -2.415 -6.662) 7.235 2.274 ( 1.110 2.446 1.073) 2.892 2.334 ( -0.701 4.083 0.170) 4.146 2.499 ( -4.452 1.923 4.310) 6.488 2.761 ( 3.987 -4.350 5.009) 7.740 2.889 ( 3.170 3.607 1.101) 4.926 3.480 ( 3.787 -2.179 -4.386) 6.191 3.548 ( 0.925 5.098 -5.294) 7.408 3.603 ( -1.483 -0.393 -0.382) 1.581 3.841 ( 2.139 -1.772 -2.101) 3.482 4.134 ( 5.821 3.318 -4.788) 8.235 4.295 ( -23.588 -4.568 1.455) 24.070 4.533 ( -2.291 -0.925 -0.465) 2.514 4.726 ( 15.400 -5.574 5.160) 17.172 5.503 ( -0.653 13.284 -6.096) 14.631 5.950 ( 3.250 12.528 -5.155) 13.931 6.147 ( -0.408 -0.031 5.662) 5.677 6.525 ( 1.028 1.095 -13.370) 13.454 6.687 ( 1.006 5.832 -1.673) 6.150 7.068 ( 4.947 -2.166 -2.392) 5.906 8.075 ( -8.290 -2.327 16.403) 18.525 8.692 ( -13.424 -9.651 26.000) 30.811 9.971 ( -2.907 12.217 -13.448) 18.399 10.242 ( -2.656 4.921 -1.240) 5.727 10.647 ( 4.898 3.772 3.638) 7.173 10.769 ( -11.281 -2.036 2.333) 11.698 11.355 ( 0.958 -5.629 1.082) 5.811 11.538 ( 1.754 7.947 -2.490) 8.510 11.768 ( 4.880 -5.969 1.045) 7.781 11.854 ( 2.911 -4.508 1.871) 5.683 12.658 ( -3.942 -1.997 -8.223) 9.335 12.965 ( -2.295 -7.455 -8.903) 11.837 14.764 ( -0.879 3.283 -3.350) 4.772 14.901 ( -1.342 0.932 -0.843) 1.838 14.955 ( 1.691 2.755 2.649) 4.179 15.260 ( 15.893 -7.803 10.823) 20.751 22.470 ( 2.324 -5.539 4.828) 7.706 22.659 ( -28.725 -20.757 18.225) 39.851 24.276 ( 0.538 -3.395 0.846) 3.540 24.544 ( 9.874 -16.599 5.339) 20.038 25.339 ( -0.764 20.424 0.449) 20.444 26.428 ( 12.766 24.702 -25.005) 37.395 28.710 ( -1.333 -0.124 0.021) 1.339 28.814 ( 3.476 -1.064 0.055) 3.635 ======================= Grid point 90 (35/145) ======================= q-point: ( 0.12 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.868 ( 20.339 12.731 10.565) 26.218 1.048 ( 11.742 16.658 12.963) 24.154 1.603 ( 14.647 20.612 20.373) 32.472 2.025 ( 1.561 -0.495 2.412) 2.915 2.206 ( 5.282 -3.012 -9.079) 10.927 2.329 ( 0.699 7.833 -0.371) 7.873 2.345 ( 2.474 0.742 4.991) 5.620 2.493 ( 0.979 3.483 4.981) 6.156 2.737 ( -4.308 1.115 -3.692) 5.782 3.092 ( 11.952 -2.203 4.425) 12.934 3.486 ( -0.318 4.128 -6.442) 7.657 3.548 ( 3.014 0.741 -4.622) 5.567 3.571 ( -2.597 -2.015 3.989) 5.169 3.734 ( -7.542 0.378 -1.875) 7.781 4.016 ( -4.639 0.893 4.532) 6.547 4.205 ( 2.096 -0.874 -3.542) 4.207 4.481 ( -3.512 -0.458 -0.828) 3.637 4.998 ( 9.691 -7.816 -4.194) 13.137 5.453 ( -0.284 13.176 -6.449) 14.672 5.984 ( 2.597 10.976 -1.874) 11.434 6.146 ( -3.382 -0.365 6.112) 6.995 6.450 ( 0.636 1.258 -13.437) 13.511 6.671 ( -2.150 6.587 -0.309) 6.936 7.077 ( -0.529 -2.877 -6.451) 7.083 8.004 ( -9.465 1.725 15.830) 18.524 8.610 ( -12.642 -3.222 26.280) 29.340 9.778 ( -6.227 14.425 -8.824) 18.020 10.203 ( -0.826 6.088 -0.559) 6.169 10.681 ( 1.915 -3.002 5.904) 6.894 10.829 ( 5.597 3.353 4.837) 8.123 11.345 ( -1.097 0.535 -1.626) 2.033 11.632 ( 7.195 3.124 2.199) 8.146 11.760 ( -1.767 -7.020 -0.869) 7.291 11.957 ( 4.032 -7.962 -0.756) 8.956 12.506 ( -4.508 -2.358 -11.097) 12.208 12.824 ( -5.061 -7.557 -12.161) 15.186 14.737 ( -0.441 1.945 -0.797) 2.147 14.874 ( -1.235 -0.462 -0.247) 1.341 15.005 ( 1.191 2.512 3.132) 4.188 15.495 ( 2.615 -8.244 5.851) 10.442 22.388 ( -9.346 -4.590 10.065) 14.482 22.553 ( 2.114 -4.879 7.094) 8.865 24.342 ( 5.300 -4.929 1.582) 7.408 24.737 ( 7.006 -13.618 1.845) 15.426 25.305 ( -2.403 18.609 0.460) 18.769 26.315 ( -7.304 16.264 -12.316) 21.669 28.671 ( -1.597 -0.543 -0.073) 1.688 28.909 ( 4.022 -3.498 -0.946) 5.414 ======================= Grid point 91 (36/145) ======================= q-point: ( 0.25 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.265 ( 12.549 9.973 9.305) 18.534 1.347 ( 10.451 18.762 11.098) 24.175 1.977 ( 11.025 -0.098 8.504) 13.924 2.112 ( 5.660 3.699 1.438) 6.913 2.245 ( 2.465 1.536 -2.282) 3.694 2.320 ( -0.869 8.721 -0.758) 8.797 2.445 ( 4.716 3.204 2.079) 6.069 2.580 ( -0.582 0.638 -1.254) 1.523 2.665 ( 5.532 4.924 3.340) 8.124 3.297 ( 5.443 -4.463 0.324) 7.047 3.434 ( -0.279 -0.487 -0.550) 0.786 3.561 ( -1.372 -0.207 2.860) 3.178 3.592 ( 4.255 3.664 -1.690) 5.864 3.664 ( 2.690 -0.032 -6.996) 7.496 3.977 ( -2.409 2.922 0.386) 3.807 4.204 ( 0.421 -3.060 -5.063) 5.931 4.391 ( -5.382 -0.005 0.468) 5.402 5.054 ( 0.835 -5.317 -5.885) 7.975 5.424 ( 1.721 12.618 -4.347) 13.456 5.980 ( -3.664 6.363 0.638) 7.371 6.146 ( 0.749 4.002 4.427) 6.014 6.377 ( 1.196 1.057 -12.578) 12.679 6.600 ( -4.731 7.685 -0.700) 9.052 6.976 ( -4.057 -2.651 -9.230) 10.425 7.935 ( -8.104 2.754 14.089) 16.485 8.563 ( -11.075 -1.965 27.280) 29.507 9.654 ( -2.522 11.437 -3.359) 12.184 10.199 ( 0.453 4.805 -0.041) 4.826 10.795 ( 4.595 -3.210 6.000) 8.211 10.944 ( 2.730 0.476 3.129) 4.180 11.311 ( -0.361 5.342 -2.932) 6.104 11.717 ( -1.975 -6.380 0.954) 6.746 11.816 ( 9.184 0.758 1.595) 9.352 12.013 ( 2.597 -6.836 -0.023) 7.313 12.364 ( -2.324 -2.832 -8.783) 9.517 12.622 ( -6.633 -7.820 -12.654) 16.287 14.732 ( 0.125 0.775 0.012) 0.785 14.847 ( -1.305 -1.230 -0.238) 1.809 15.036 ( 0.044 1.842 1.956) 2.687 15.504 ( -3.509 -3.740 3.277) 6.085 22.349 ( -0.982 -2.319 2.461) 3.521 22.647 ( 1.478 -4.866 10.991) 12.111 24.479 ( 8.013 -6.847 -1.103) 10.597 24.854 ( 5.275 -7.520 -0.657) 9.209 25.273 ( -0.894 16.559 0.780) 16.602 26.053 ( -13.015 13.319 -6.658) 19.777 28.656 ( 0.038 -0.390 0.256) 0.468 28.942 ( 0.528 -3.702 -1.130) 3.907 ======================= Grid point 92 (37/145) ======================= q-point: ( 0.38 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.472 ( 5.000 15.830 3.025) 16.875 1.562 ( 3.483 8.779 10.120) 13.842 2.088 ( -4.102 1.625 -2.216) 4.937 2.136 ( -1.505 3.246 2.621) 4.436 2.277 ( 1.689 5.450 1.160) 5.823 2.369 ( 6.633 4.533 -4.075) 9.009 2.462 ( -0.525 0.709 -0.482) 1.005 2.642 ( 6.632 2.708 0.239) 7.168 2.861 ( 7.059 5.645 4.799) 10.234 3.322 ( 0.247 -4.273 -0.354) 4.295 3.459 ( 0.886 -4.178 0.256) 4.279 3.534 ( -2.880 -2.873 1.917) 4.497 3.680 ( 4.957 3.661 -8.936) 10.855 3.723 ( 7.977 4.971 -3.169) 9.919 3.926 ( -2.211 4.850 -2.815) 6.028 4.142 ( -2.148 -3.094 -5.571) 6.725 4.305 ( -3.610 -0.104 1.798) 4.034 5.005 ( -1.378 -3.916 -3.781) 5.616 5.465 ( 4.821 10.879 -2.913) 12.251 5.881 ( -6.578 4.808 2.267) 8.458 6.199 ( 1.530 6.617 0.515) 6.811 6.346 ( 4.308 1.054 -11.254) 12.096 6.499 ( -4.235 8.438 -0.955) 9.489 6.821 ( -4.614 -1.338 -10.270) 11.339 7.889 ( -5.787 2.192 12.337) 13.802 8.549 ( -9.933 -2.645 28.833) 30.610 9.629 ( 0.395 9.472 1.417) 9.585 10.213 ( 0.687 3.111 0.438) 3.216 10.892 ( 0.273 -2.384 2.807) 3.692 10.970 ( 0.706 -2.859 0.130) 2.948 11.309 ( 1.464 8.093 -0.969) 8.281 11.692 ( -1.019 -5.911 -0.072) 5.999 11.951 ( 2.591 -1.597 -1.071) 3.227 12.055 ( 1.949 -3.119 -2.172) 4.271 12.343 ( 3.177 -2.170 0.144) 3.850 12.453 ( -1.190 -9.544 -6.687) 11.714 14.739 ( 0.311 0.366 0.354) 0.596 14.823 ( -0.922 -1.825 -0.241) 2.059 15.030 ( -1.206 1.128 -0.209) 1.665 15.435 ( -4.186 -1.323 -0.369) 4.406 22.341 ( -0.228 -1.676 -2.532) 3.045 22.752 ( -0.015 -5.199 15.238) 16.100 24.602 ( 6.071 -9.745 -5.095) 12.561 24.936 ( 4.133 -4.214 -2.447) 6.390 25.299 ( 3.753 16.387 0.349) 16.815 25.739 ( -14.785 13.695 -5.645) 20.929 28.669 ( 0.771 -0.186 0.260) 0.835 28.930 ( -0.599 -3.522 -0.777) 3.656 ======================= Grid point 93 (38/145) ======================= q-point: (-0.50 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( -3.149 13.922 0.085) 14.274 1.560 ( -7.996 9.646 1.786) 12.656 1.929 ( -6.911 6.039 -7.742) 12.008 2.110 ( 0.689 3.798 3.600) 5.279 2.395 ( 0.850 4.405 -4.384) 6.273 2.412 ( 1.888 3.761 4.984) 6.523 2.452 ( 2.171 0.951 0.534) 2.429 2.726 ( 0.375 1.601 0.703) 1.789 2.916 ( -3.593 4.817 0.348) 6.020 3.340 ( 0.997 -4.656 0.807) 4.829 3.429 ( -2.623 -2.867 -3.416) 5.174 3.481 ( -4.206 -4.856 -0.831) 6.478 3.687 ( 2.666 1.729 -10.267) 10.747 3.815 ( -0.708 5.227 -4.869) 7.179 3.838 ( 0.970 8.875 -1.448) 9.044 4.158 ( 6.072 -3.230 -0.568) 6.901 4.281 ( 0.035 -0.754 1.050) 1.294 4.979 ( 1.781 -3.845 -3.486) 5.487 5.562 ( 6.621 9.456 -1.262) 11.612 5.779 ( -5.271 5.548 1.959) 7.900 6.169 ( -3.406 8.632 -3.336) 9.861 6.395 ( 8.172 1.401 -10.336) 13.250 6.466 ( 1.302 7.481 -0.090) 7.594 6.688 ( -1.260 0.140 -10.743) 10.817 7.883 ( -3.256 1.383 11.831) 12.348 8.568 ( -8.695 -4.010 30.088) 31.575 9.680 ( 2.384 9.178 5.469) 10.947 10.226 ( 0.146 2.366 0.924) 2.544 10.824 ( -4.447 -5.331 -4.702) 8.385 11.007 ( 0.461 0.766 3.084) 3.211 11.337 ( 1.395 6.141 -0.019) 6.298 11.657 ( -2.324 -4.577 -2.390) 5.662 11.928 ( -1.605 -4.817 -3.078) 5.938 12.022 ( -1.586 -0.570 -5.921) 6.156 12.418 ( 4.856 -6.192 4.086) 8.867 12.576 ( 9.733 -5.045 5.747) 12.378 14.744 ( -0.136 0.687 0.519) 0.872 14.814 ( 0.276 -2.263 -0.189) 2.288 14.989 ( -2.013 0.751 -2.571) 3.350 15.347 ( -3.336 -0.016 -3.986) 5.198 22.311 ( -0.260 -1.301 -3.940) 4.158 22.839 ( -2.746 -5.744 17.797) 18.902 24.621 ( 0.343 -12.142 -8.194) 14.652 24.961 ( 0.156 -5.199 -4.021) 6.575 25.406 ( -0.609 10.499 -1.931) 10.693 25.472 ( -0.033 24.112 -4.748) 24.575 28.675 ( -0.476 -0.011 0.010) 0.476 28.925 ( 0.645 -3.526 -0.323) 3.599 ======================= Grid point 94 (39/145) ======================= q-point: (-0.38 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( -15.841 6.078 -7.050) 18.373 1.384 ( -11.812 23.960 -0.754) 26.724 1.809 ( -0.776 2.602 -3.981) 4.818 2.154 ( -3.105 8.030 -1.162) 8.687 2.267 ( -7.128 3.386 1.105) 7.968 2.410 ( -1.813 2.709 1.906) 3.776 2.600 ( 4.489 2.280 3.691) 6.243 2.621 ( -8.281 2.687 -3.245) 9.291 2.803 ( -6.375 2.485 3.731) 7.793 3.256 ( -10.324 -5.060 -8.076) 14.050 3.367 ( 0.420 -3.472 -4.592) 5.772 3.415 ( 1.130 -3.994 -0.628) 4.198 3.659 ( 0.326 7.174 -3.221) 7.871 3.750 ( -0.892 4.609 -6.676) 8.161 3.899 ( 2.350 4.051 1.933) 5.067 4.268 ( 4.464 -5.010 -1.024) 6.788 4.322 ( 3.281 -0.441 1.714) 3.728 5.035 ( 6.497 -4.924 -5.537) 9.854 5.666 ( -1.441 9.232 5.634) 10.911 5.736 ( 5.386 6.496 -4.521) 9.573 6.068 ( -3.684 9.961 -3.473) 11.174 6.492 ( 5.647 3.468 -5.110) 8.368 6.538 ( 9.102 3.859 -5.817) 11.471 6.638 ( 3.417 1.454 -10.784) 11.406 7.920 ( -1.592 0.615 12.874) 12.987 8.616 ( -7.611 -5.742 30.431) 31.890 9.787 ( 3.876 10.717 7.783) 13.800 10.232 ( -0.236 2.574 1.482) 2.979 10.694 ( -5.126 -5.507 -6.029) 9.641 11.018 ( -1.785 2.408 5.074) 5.893 11.348 ( -0.057 0.888 -1.358) 1.624 11.572 ( -2.823 -1.107 -6.120) 6.830 11.879 ( -1.928 -6.172 -1.399) 6.616 11.967 ( -0.795 -0.852 -3.394) 3.589 12.573 ( 6.515 -5.322 6.425) 10.585 12.797 ( 8.684 -5.021 5.037) 11.224 14.742 ( -0.302 1.227 0.440) 1.338 14.831 ( 1.327 -1.944 0.072) 2.355 14.927 ( -1.781 0.786 -4.050) 4.494 15.254 ( -2.824 0.866 -6.693) 7.316 22.294 ( 0.978 -1.863 -1.994) 2.898 22.889 ( -5.097 -7.257 20.605) 22.432 24.512 ( -4.965 -12.222 -9.193) 16.079 24.878 ( -5.064 -9.691 -6.188) 12.564 25.278 ( -3.335 17.697 -0.580) 18.018 25.653 ( 14.261 24.012 -8.276) 29.128 28.655 ( -1.224 -0.053 -0.042) 1.226 28.946 ( 1.352 -3.633 -0.357) 3.892 ======================= Grid point 95 (40/145) ======================= q-point: (-0.25 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.888 ( -16.858 12.177 -8.703) 22.543 1.121 ( -14.583 24.864 1.371) 28.857 1.727 ( -22.102 10.966 2.706) 24.820 1.878 ( -2.354 7.821 -4.365) 9.261 2.286 ( 1.101 1.323 4.493) 4.811 2.377 ( -2.406 3.399 -0.025) 4.164 2.418 ( -6.696 1.713 -2.649) 7.402 2.669 ( -3.802 -1.399 6.758) 7.879 2.789 ( 2.916 3.324 2.964) 5.323 2.955 ( -12.840 -3.047 -11.439) 17.464 3.374 ( 3.875 -4.071 -5.654) 7.972 3.469 ( 4.454 -0.304 0.342) 4.478 3.652 ( -0.150 5.995 -3.518) 6.953 3.686 ( -0.595 5.170 -3.680) 6.374 3.940 ( 0.379 0.591 3.846) 3.910 4.328 ( 2.342 -4.280 1.783) 5.195 4.413 ( 4.671 -0.817 0.875) 4.822 5.087 ( 1.770 -8.730 -9.492) 13.017 5.620 ( -3.448 10.336 1.359) 10.980 5.857 ( 6.865 9.568 -4.405) 12.573 6.019 ( 0.770 6.943 0.180) 6.988 6.550 ( 4.204 3.263 -4.694) 7.096 6.648 ( 5.525 2.370 -12.142) 13.549 6.718 ( 11.875 2.172 -4.266) 12.803 7.990 ( -1.107 -0.603 15.284) 15.336 8.678 ( -7.197 -8.243 29.872) 31.813 9.918 ( 4.571 13.371 5.303) 15.093 10.250 ( 1.124 2.812 2.836) 4.149 10.559 ( -4.596 -2.922 -4.728) 7.212 11.027 ( -2.255 0.222 10.305) 10.552 11.318 ( -1.001 -5.596 -3.524) 6.688 11.497 ( -0.422 3.314 -5.623) 6.540 11.823 ( -2.647 -4.931 -3.710) 6.714 11.930 ( -1.818 -0.880 -1.347) 2.427 12.714 ( 3.659 -3.453 3.798) 6.303 12.961 ( 6.076 -7.084 0.663) 9.357 14.749 ( 1.104 2.547 0.378) 2.802 14.860 ( 1.387 -0.858 -0.038) 1.631 14.878 ( -0.423 0.890 -2.954) 3.114 15.143 ( -3.848 1.667 -7.486) 8.581 22.328 ( 2.613 -3.793 1.209) 4.762 22.941 ( -5.847 -14.231 27.801) 31.775 24.346 ( -5.502 -9.429 -6.877) 12.902 24.699 ( -8.058 -13.896 -8.988) 18.408 25.266 ( 1.279 19.769 0.575) 19.819 25.873 ( 16.725 31.759 -13.736) 38.433 28.644 ( 0.332 -0.409 0.332) 0.622 28.949 ( -0.947 -3.643 -1.481) 4.045 ======================= Grid point 96 (41/145) ======================= q-point: (-0.12 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.617 ( -6.407 19.768 5.009) 21.375 0.822 ( -21.796 14.736 6.190) 27.028 1.265 ( -18.337 33.457 9.043) 39.209 1.936 ( 5.507 3.618 -2.294) 6.977 2.296 ( -3.267 1.539 0.083) 3.613 2.303 ( -2.850 1.902 0.154) 3.430 2.352 ( -1.412 2.426 0.950) 2.963 2.649 ( -10.919 -0.771 -6.307) 12.633 2.659 ( -0.895 -4.486 7.667) 8.928 2.858 ( 2.288 3.485 0.092) 4.170 3.426 ( 4.411 -4.038 -3.835) 7.105 3.564 ( 2.905 6.459 -4.462) 8.370 3.612 ( 0.959 -0.400 -2.431) 2.644 3.727 ( 7.026 4.411 -0.941) 8.349 3.998 ( 3.967 2.007 4.554) 6.364 4.406 ( 3.560 -5.335 6.073) 8.833 4.497 ( 3.190 -1.157 1.493) 3.708 4.893 ( -15.422 -9.589 -12.377) 21.977 5.563 ( -1.907 11.694 -3.616) 12.388 5.918 ( 4.276 12.751 -6.521) 14.947 6.087 ( 2.864 1.966 4.282) 5.514 6.575 ( 2.773 0.835 -10.118) 10.524 6.668 ( 3.499 5.003 -6.911) 9.221 6.924 ( 10.679 -0.064 -1.631) 10.803 8.068 ( -2.853 -2.984 17.102) 17.593 8.727 ( -8.703 -12.345 28.083) 31.887 10.006 ( 4.021 12.004 -4.830) 13.550 10.292 ( -0.317 2.747 0.258) 2.777 10.513 ( 2.992 3.176 2.352) 4.957 11.025 ( -8.060 -10.243 5.382) 14.101 11.300 ( 2.020 -6.963 0.386) 7.260 11.504 ( 4.127 7.172 -0.327) 8.282 11.712 ( -3.661 2.357 -7.858) 8.984 11.876 ( -3.329 -2.725 1.332) 4.504 12.745 ( -0.961 -2.050 -2.337) 3.254 13.025 ( 1.550 -8.495 -4.704) 9.833 14.791 ( 2.491 3.612 -4.400) 6.214 14.885 ( 4.364 2.656 2.574) 5.720 14.903 ( 2.106 0.555 1.669) 2.744 15.023 ( -3.629 1.654 0.250) 3.996 22.396 ( 2.704 -5.449 2.986) 6.776 22.985 ( -15.267 -34.280 31.056) 48.710 24.259 ( 0.718 -4.156 -1.449) 4.460 24.480 ( -6.289 -12.315 -6.349) 15.216 25.314 ( 2.405 20.995 1.061) 21.159 26.152 ( 25.103 39.367 -20.407) 50.955 28.673 ( 2.204 -0.460 0.835) 2.401 28.876 ( -4.928 -2.346 -2.777) 6.123 ======================= Grid point 97 (42/145) ======================= q-point: ( 0.00 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.926 ( 0.854 20.187 6.252) 21.150 1.119 ( 4.168 19.140 9.037) 21.573 1.951 ( -0.755 13.004 4.149) 13.671 2.028 ( 2.746 13.183 5.522) 14.554 2.157 ( -2.711 -2.917 -8.030) 8.963 2.323 ( -2.168 4.036 4.708) 6.569 2.442 ( 0.577 3.678 1.129) 3.890 2.506 ( 1.012 -2.054 5.093) 5.584 2.670 ( 4.920 -3.126 8.293) 10.137 2.984 ( 0.692 6.102 -0.602) 6.171 3.449 ( 4.795 -0.174 -4.766) 6.763 3.561 ( -2.436 -1.478 -1.116) 3.060 3.647 ( -0.422 1.010 -1.730) 2.048 3.765 ( 0.582 -5.051 0.090) 5.085 4.193 ( 2.737 1.586 -6.423) 7.159 4.226 ( -10.668 -1.707 -2.091) 11.004 4.520 ( -0.263 -0.075 0.339) 0.436 4.649 ( 8.270 -2.455 2.079) 8.874 5.736 ( -0.166 9.274 -3.869) 10.050 6.136 ( -0.671 -0.936 2.057) 2.357 6.297 ( 1.385 19.502 -0.894) 19.571 6.581 ( 1.087 4.343 -13.080) 13.825 6.833 ( 2.303 7.156 -2.742) 8.002 7.020 ( 4.257 -1.871 -7.984) 9.240 8.090 ( -6.146 3.442 18.818) 20.093 8.566 ( -8.871 -4.224 24.757) 26.636 10.135 ( 1.072 5.116 -7.732) 9.333 10.341 ( -0.942 2.928 3.519) 4.674 10.662 ( -1.961 -0.107 2.712) 3.348 10.776 ( -0.124 1.755 3.011) 3.487 11.216 ( 3.121 -6.080 2.878) 7.416 11.570 ( 0.090 -11.148 -2.607) 11.449 11.725 ( 1.033 6.699 -0.361) 6.788 11.853 ( -1.315 3.304 -3.299) 4.851 12.610 ( -4.163 -2.428 -9.702) 10.833 12.780 ( -1.638 -8.924 -8.801) 12.640 14.819 ( -0.978 2.385 -3.238) 4.139 14.924 ( -2.058 1.000 -1.289) 2.627 15.007 ( 0.983 1.876 4.010) 4.535 15.148 ( 9.038 -3.454 8.703) 13.013 22.313 ( -1.349 -6.994 6.765) 9.824 22.418 ( -7.416 -7.099 7.493) 12.710 24.188 ( -0.230 -4.655 0.613) 4.700 24.286 ( 8.001 -8.866 3.186) 12.361 25.797 ( -1.147 22.192 -0.083) 22.222 26.702 ( 2.692 5.316 -13.044) 14.340 28.710 ( -1.042 0.155 -0.156) 1.065 28.788 ( 1.351 -1.322 -0.163) 1.897 ======================= Grid point 98 (43/145) ======================= q-point: ( 0.12 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.198 ( 16.245 17.704 8.330) 25.431 1.327 ( 12.089 11.914 9.136) 19.276 1.916 ( -2.625 -0.420 2.314) 3.524 2.141 ( 6.120 -2.753 -7.580) 10.123 2.215 ( 7.435 21.260 6.609) 23.472 2.338 ( 0.549 -0.304 4.965) 5.005 2.504 ( 3.304 7.317 8.493) 11.687 2.571 ( 2.549 3.723 5.984) 7.494 2.801 ( 1.866 4.397 -1.812) 5.109 3.033 ( 5.692 -1.952 3.705) 7.066 3.490 ( 1.316 -1.235 -7.595) 7.807 3.511 ( -1.456 -2.488 2.823) 4.034 3.634 ( 0.426 2.510 -2.969) 3.911 3.698 ( -5.334 -3.451 -0.009) 6.353 4.044 ( -2.737 1.742 -0.546) 3.290 4.183 ( -0.449 -1.204 -5.203) 5.360 4.498 ( -2.247 2.333 -0.060) 3.240 4.851 ( 8.873 -6.161 -1.967) 10.980 5.706 ( 0.127 10.432 -4.556) 11.384 6.113 ( -3.193 -1.154 2.132) 4.009 6.328 ( 2.168 18.856 0.331) 18.983 6.503 ( 0.173 4.181 -13.122) 13.773 6.843 ( -0.342 8.919 -0.124) 8.927 6.995 ( 0.314 -4.422 -11.692) 12.505 8.076 ( -8.524 5.054 19.065) 21.486 8.547 ( -10.343 -2.974 24.890) 27.117 10.057 ( -3.531 11.276 -7.671) 14.087 10.344 ( -1.434 6.116 2.607) 6.801 10.627 ( -0.011 -1.678 4.374) 4.685 10.875 ( 3.853 0.873 4.699) 6.139 11.313 ( 4.325 -2.954 3.932) 6.549 11.561 ( 0.576 -11.059 -2.556) 11.365 11.755 ( 2.712 5.036 1.748) 5.981 11.821 ( 0.658 -2.474 -4.580) 5.247 12.433 ( -5.709 -4.523 -12.393) 14.374 12.650 ( -4.483 -7.609 -12.089) 14.971 14.778 ( -1.309 1.950 -1.759) 2.934 14.874 ( -2.332 0.363 -0.136) 2.364 15.054 ( 0.443 2.012 4.237) 4.712 15.340 ( 4.489 -6.230 6.631) 10.146 22.288 ( -3.203 -4.326 6.158) 8.179 22.435 ( 1.971 -6.101 5.687) 8.570 24.242 ( 4.541 -4.064 1.978) 6.407 24.486 ( 9.567 -10.035 3.293) 14.251 25.740 ( -3.960 21.534 -0.480) 21.900 26.565 ( -7.371 7.043 -10.539) 14.664 28.669 ( -1.699 0.498 -0.197) 1.782 28.837 ( 2.234 -3.171 -0.165) 3.882 ======================= Grid point 99 (44/145) ======================= q-point: ( 0.25 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.479 ( 8.719 10.755 7.636) 15.811 1.700 ( 14.212 13.232 7.400) 20.780 1.925 ( 3.069 -3.373 5.299) 6.991 2.218 ( 3.277 -0.070 -2.165) 3.928 2.338 ( 5.554 8.262 -1.435) 10.058 2.402 ( 3.278 1.948 1.002) 3.943 2.625 ( 2.304 7.297 8.266) 11.264 2.676 ( -2.056 11.877 -2.022) 12.222 2.814 ( 8.185 9.641 4.722) 13.500 3.181 ( 5.037 -6.660 2.074) 8.604 3.408 ( -3.598 -1.315 -0.916) 3.939 3.507 ( -3.209 -3.462 2.193) 5.205 3.613 ( 4.345 -2.360 -7.155) 8.697 3.725 ( 5.868 3.579 -0.555) 6.896 4.038 ( 0.972 1.993 -1.747) 2.823 4.134 ( -0.595 -2.271 -5.047) 5.566 4.429 ( -4.730 3.902 -0.233) 6.137 4.929 ( 1.699 -6.405 -4.177) 7.833 5.689 ( 1.245 11.272 -3.675) 11.921 6.046 ( -4.870 0.231 1.526) 5.109 6.381 ( 3.150 14.056 -1.737) 14.509 6.428 ( 0.799 6.998 -9.603) 11.909 6.811 ( -3.013 11.475 -0.669) 11.883 6.896 ( -1.619 -4.635 -11.941) 12.911 8.023 ( -9.405 5.541 17.239) 20.405 8.510 ( -10.956 -3.071 25.587) 28.003 9.939 ( -3.532 14.532 -4.196) 15.532 10.319 ( -1.955 6.008 1.100) 6.413 10.721 ( 4.248 -3.682 7.699) 9.533 10.928 ( -0.979 -2.200 1.039) 2.622 11.419 ( 3.977 1.673 1.589) 4.598 11.561 ( 0.715 -5.382 -0.174) 5.432 11.826 ( 1.991 -10.151 0.468) 10.355 11.867 ( 7.437 4.144 -0.606) 8.535 12.258 ( -3.852 -7.517 -8.849) 12.233 12.457 ( -6.066 -6.277 -13.860) 16.379 14.751 ( -0.619 1.016 -0.717) 1.389 14.831 ( -2.198 -0.283 0.295) 2.236 15.073 ( -0.924 1.710 2.702) 3.328 15.406 ( -0.523 -5.312 3.058) 6.152 22.294 ( 0.134 -2.526 2.509) 3.563 22.522 ( 1.854 -6.659 8.678) 11.094 24.363 ( 6.474 -3.793 -0.006) 7.503 24.676 ( 8.400 -8.861 0.747) 12.233 25.669 ( -2.676 19.904 0.111) 20.083 26.318 ( -11.409 10.102 -7.478) 16.975 28.654 ( 0.116 0.369 0.070) 0.393 28.858 ( 0.168 -3.972 -0.407) 3.997 ======================= Grid point 100 (45/145) ======================= q-point: ( 0.38 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( 3.670 6.308 3.477) 8.084 1.818 ( -0.786 6.622 4.745) 8.184 2.132 ( 5.867 4.766 5.463) 9.327 2.238 ( 0.530 4.735 3.644) 5.998 2.414 ( 3.540 3.168 -1.602) 5.013 2.456 ( 0.850 6.712 -2.680) 7.277 2.573 ( -1.175 9.552 -3.778) 10.339 2.724 ( 3.220 5.199 3.871) 7.238 3.000 ( 4.498 6.017 2.547) 7.932 3.238 ( 0.952 -4.642 0.292) 4.747 3.400 ( 1.593 -0.604 0.934) 1.943 3.447 ( -2.745 -4.107 0.677) 4.986 3.668 ( 5.119 -2.920 -8.155) 10.062 3.852 ( 7.469 4.434 -2.117) 8.940 4.007 ( -1.959 -0.536 -4.783) 5.196 4.119 ( 1.973 4.370 -4.080) 6.296 4.332 ( -4.537 3.178 0.501) 5.561 4.895 ( -1.392 -6.310 -3.432) 7.317 5.712 ( 3.091 10.985 -1.896) 11.568 5.958 ( -4.808 2.107 0.800) 5.310 6.384 ( 4.265 2.728 -11.389) 12.464 6.450 ( 1.930 16.151 0.266) 16.268 6.722 ( -2.614 8.564 -6.992) 11.361 6.799 ( -2.356 2.928 -5.380) 6.563 7.962 ( -7.709 4.810 14.648) 17.237 8.476 ( -10.607 -4.238 26.513) 28.869 9.885 ( -0.598 14.054 0.240) 14.069 10.295 ( -1.155 4.444 0.990) 4.697 10.828 ( -2.155 -3.876 2.368) 5.027 10.888 ( 1.254 -4.805 2.643) 5.625 11.470 ( 2.018 -0.864 -2.361) 3.224 11.578 ( -0.010 3.236 0.836) 3.343 11.859 ( -0.678 -9.362 -2.815) 9.800 11.985 ( 5.537 -1.974 -0.139) 5.880 12.230 ( -0.727 -9.465 -4.936) 10.700 12.285 ( 2.785 -3.376 -2.973) 5.291 14.745 ( 0.293 0.250 -0.092) 0.396 14.796 ( -1.754 -0.618 0.523) 1.932 15.056 ( -1.911 1.308 0.335) 2.340 15.382 ( -2.334 -3.835 -0.625) 4.532 22.305 ( -0.020 -1.388 -0.443) 1.458 22.615 ( 0.334 -7.340 12.219) 14.258 24.459 ( 4.165 -3.947 -3.962) 6.973 24.803 ( 5.017 -7.861 -2.598) 9.681 25.658 ( 1.284 17.546 1.003) 17.622 26.056 ( -10.098 14.119 -5.645) 18.253 28.667 ( 0.923 0.146 0.050) 0.936 28.847 ( -0.742 -4.012 -0.210) 4.085 ======================= Grid point 101 (46/145) ======================= q-point: (-0.50 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( -5.117 5.730 -1.975) 7.932 1.822 ( -1.854 5.973 4.376) 7.633 2.141 ( -8.939 12.925 -2.366) 15.892 2.196 ( -0.300 3.956 2.332) 4.602 2.441 ( -0.959 -0.014 1.020) 1.400 2.549 ( 6.126 9.665 6.128) 12.981 2.558 ( 2.037 7.491 -6.741) 10.281 2.771 ( -1.601 2.523 2.912) 4.172 3.015 ( -2.692 3.010 -1.307) 4.245 3.253 ( 0.170 -4.262 0.136) 4.267 3.356 ( -3.165 -4.037 -1.312) 5.295 3.423 ( -4.317 1.035 -3.294) 5.528 3.689 ( 4.075 -1.235 -7.124) 8.300 3.911 ( -1.463 4.806 -4.963) 7.062 3.989 ( 4.607 -1.380 -2.305) 5.333 4.127 ( 1.649 5.293 -3.339) 6.472 4.294 ( 0.333 2.479 0.821) 2.632 4.869 ( 1.669 -6.450 -3.140) 7.366 5.779 ( 4.382 9.622 0.163) 10.574 5.883 ( -3.105 3.878 0.113) 4.969 6.417 ( 3.874 7.729 -6.830) 11.019 6.462 ( 2.845 10.022 -6.065) 12.055 6.657 ( 1.543 6.541 -8.923) 11.171 6.739 ( -0.728 9.188 -2.082) 9.449 7.935 ( -4.710 3.702 13.041) 14.351 8.463 ( -9.409 -5.765 27.155) 29.311 9.919 ( 2.557 12.621 3.955) 13.471 10.288 ( -0.441 3.309 1.191) 3.544 10.713 ( -5.497 -5.265 -4.485) 8.835 10.978 ( 1.550 -3.270 6.579) 7.508 11.478 ( 1.187 0.918 -5.266) 5.476 11.543 ( -3.662 -0.518 -0.732) 3.770 11.784 ( -2.071 -8.800 -4.985) 10.324 12.030 ( -1.333 1.606 -4.769) 5.205 12.215 ( 6.414 -11.026 3.499) 13.227 12.489 ( 9.819 -3.540 7.573) 12.895 14.759 ( 0.870 0.445 0.524) 1.109 14.774 ( -0.595 -1.029 0.501) 1.290 15.009 ( -2.197 1.216 -2.101) 3.274 15.321 ( -2.328 -2.748 -3.676) 5.146 22.288 ( -0.907 -0.474 -1.223) 1.595 22.687 ( -2.465 -8.181 14.354) 16.704 24.451 ( -0.874 -4.454 -7.794) 9.019 24.812 ( -1.430 -8.385 -5.906) 10.355 25.689 ( -0.837 15.618 0.842) 15.663 25.937 ( 3.618 18.713 -3.421) 19.364 28.676 ( -0.255 0.196 -0.100) 0.337 28.840 ( 0.386 -4.057 0.105) 4.076 ======================= Grid point 102 (47/145) ======================= q-point: (-0.38 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.449 ( -10.696 10.254 -5.136) 15.682 1.809 ( -4.759 11.273 2.187) 12.430 1.890 ( -10.643 8.106 -0.957) 13.412 2.248 ( 1.518 1.922 4.202) 4.863 2.412 ( -2.886 -0.280 0.474) 2.938 2.487 ( -3.468 11.590 -4.319) 12.845 2.672 ( -6.840 2.700 0.079) 7.354 2.725 ( 2.198 7.900 3.547) 8.934 2.880 ( -8.985 4.967 -0.316) 10.272 3.140 ( -9.664 -5.310 -6.573) 12.838 3.316 ( 0.053 -1.114 -4.906) 5.031 3.356 ( 2.698 -1.360 0.710) 3.104 3.728 ( 2.335 -0.482 -2.322) 3.328 3.838 ( -2.557 3.161 -4.477) 6.047 4.005 ( -1.317 2.760 -1.504) 3.407 4.163 ( 4.010 -2.400 -2.174) 5.154 4.345 ( 3.843 3.222 0.323) 5.025 4.908 ( 4.205 -6.803 -5.118) 9.495 5.825 ( -1.977 5.603 1.312) 6.084 5.894 ( 5.894 7.063 -0.117) 9.200 6.376 ( -2.669 17.221 -2.617) 17.622 6.550 ( 9.685 2.580 -10.007) 14.163 6.648 ( 4.711 4.909 -10.838) 12.796 6.752 ( 2.822 10.719 -1.168) 11.145 7.954 ( -2.535 2.907 13.184) 13.737 8.480 ( -7.901 -6.892 27.099) 29.057 10.025 ( 4.750 10.490 5.182) 12.627 10.291 ( -0.069 2.634 0.994) 2.816 10.589 ( -4.223 -3.898 -3.384) 6.669 11.014 ( -1.836 -2.878 5.111) 6.147 11.377 ( -5.597 1.315 -8.628) 10.368 11.514 ( 0.894 -5.050 -0.446) 5.148 11.737 ( -0.367 -5.873 -2.854) 6.540 11.978 ( -1.123 1.991 -1.759) 2.884 12.409 ( 8.618 -8.642 6.436) 13.798 12.701 ( 7.057 -4.073 5.529) 9.847 14.768 ( 0.247 0.934 0.830) 1.274 14.799 ( 2.017 -0.740 0.731) 2.269 14.951 ( -1.635 1.485 -3.579) 4.206 15.246 ( -2.323 -1.886 -5.596) 6.346 22.263 ( -1.066 -0.627 0.057) 1.238 22.708 ( -5.739 -9.292 15.304) 18.801 24.336 ( -4.383 -4.880 -9.155) 11.262 24.677 ( -7.230 -9.471 -7.907) 14.300 25.670 ( -0.102 19.263 1.175) 19.299 26.108 ( 13.865 17.488 -3.444) 22.582 28.658 ( -1.193 0.474 -0.152) 1.293 28.860 ( 1.171 -4.135 0.162) 4.301 ======================= Grid point 103 (48/145) ======================= q-point: (-0.25 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.206 ( -9.910 16.865 -4.292) 20.026 1.518 ( -19.704 14.388 0.690) 24.408 1.885 ( 1.953 3.361 3.509) 5.236 2.247 ( -10.836 16.157 -2.073) 19.564 2.307 ( -2.785 4.696 3.067) 6.262 2.401 ( -4.235 2.499 3.698) 6.153 2.481 ( -5.700 1.943 -4.388) 7.451 2.650 ( -8.827 -0.551 5.265) 10.293 2.868 ( -7.235 -2.740 -9.429) 12.197 2.889 ( -0.336 4.502 1.172) 4.664 3.325 ( 3.870 -0.339 -4.683) 6.084 3.459 ( 6.997 -0.639 0.801) 7.072 3.738 ( -0.766 0.161 -1.557) 1.743 3.749 ( -3.270 1.079 -2.035) 4.000 3.986 ( 1.038 3.216 0.559) 3.425 4.235 ( 4.267 -3.435 -0.741) 5.528 4.421 ( 3.647 1.941 -0.129) 4.133 4.908 ( -1.149 -8.117 -7.491) 11.104 5.794 ( -1.224 6.627 -0.984) 6.810 6.016 ( 5.534 4.100 1.715) 7.097 6.313 ( -1.880 19.389 -2.079) 19.590 6.628 ( 4.889 4.153 -9.697) 11.627 6.717 ( 9.343 3.203 -11.646) 15.270 6.823 ( 5.660 8.355 -1.373) 10.185 8.006 ( -2.144 2.425 14.896) 15.244 8.517 ( -7.028 -7.027 26.309) 28.124 10.137 ( 3.722 6.466 0.181) 7.463 10.299 ( 0.284 0.812 1.683) 1.890 10.528 ( -0.567 0.907 0.880) 1.385 10.984 ( -5.040 -4.109 5.492) 8.511 11.220 ( -3.711 -2.739 -7.822) 9.081 11.543 ( 2.026 -3.178 0.385) 3.788 11.715 ( -0.176 -1.223 -2.808) 3.068 11.952 ( -1.385 2.506 -0.129) 2.866 12.599 ( 6.797 -6.790 3.737) 10.308 12.821 ( 3.156 -5.557 0.453) 6.407 14.797 ( 2.437 1.818 0.956) 3.187 14.850 ( 2.444 0.032 1.366) 2.801 14.906 ( -0.499 1.727 -2.955) 3.458 15.154 ( -3.328 -0.871 -5.757) 6.706 22.255 ( -0.489 -2.391 2.220) 3.300 22.670 ( -9.112 -11.285 15.537) 21.256 24.200 ( -3.161 -4.710 -6.610) 8.711 24.461 ( -8.905 -9.576 -7.676) 15.163 25.710 ( 2.906 21.681 1.538) 21.929 26.371 ( 16.170 15.489 -6.160) 23.223 28.645 ( 0.228 0.699 0.196) 0.761 28.869 ( -0.565 -3.746 -0.372) 3.807 ======================= Grid point 104 (49/145) ======================= q-point: (-0.12 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( -3.427 21.330 2.577) 21.757 1.124 ( -20.401 16.207 3.122) 26.241 1.935 ( -0.544 12.351 2.914) 12.702 2.026 ( -5.595 16.812 1.743) 17.804 2.289 ( -3.763 -1.759 -0.723) 4.216 2.347 ( -3.757 4.502 5.069) 7.751 2.428 ( 0.558 0.320 0.386) 0.750 2.525 ( -5.473 -4.914 -3.134) 7.995 2.635 ( -6.972 -1.784 3.780) 8.129 2.957 ( 2.646 6.257 -0.056) 6.794 3.383 ( 4.850 0.014 -3.900) 6.224 3.590 ( 4.050 -1.336 -1.862) 4.653 3.659 ( -1.788 1.550 -1.767) 2.953 3.737 ( 0.353 -2.655 0.042) 2.679 4.079 ( 7.836 4.256 0.633) 8.940 4.304 ( 2.540 -3.688 0.148) 4.481 4.479 ( 2.426 -0.131 0.757) 2.545 4.742 ( -10.057 -5.606 -7.152) 13.555 5.765 ( -0.618 7.943 -2.576) 8.373 6.108 ( 2.448 0.848 1.871) 3.195 6.286 ( 0.415 19.859 -1.616) 19.929 6.629 ( 2.776 4.314 -11.701) 12.776 6.794 ( 5.226 5.794 -7.002) 10.483 6.942 ( 7.606 2.463 -4.225) 9.043 8.062 ( -3.566 2.323 17.147) 17.667 8.554 ( -7.427 -5.996 25.301) 27.042 10.153 ( 1.384 3.512 -6.403) 7.433 10.328 ( 0.180 0.024 3.464) 3.469 10.583 ( 3.831 3.142 3.948) 6.335 10.882 ( -8.119 -3.506 2.587) 9.215 11.166 ( 1.184 -5.133 -1.612) 5.509 11.579 ( 0.590 -8.907 0.380) 8.934 11.703 ( 1.602 7.221 -2.998) 7.981 11.911 ( -2.510 3.685 -1.235) 4.627 12.687 ( 1.225 -3.394 -2.501) 4.390 12.836 ( 0.493 -8.357 -5.073) 9.788 14.846 ( 1.228 2.464 -3.732) 4.638 14.910 ( 2.736 0.353 3.056) 4.117 14.933 ( 5.058 1.600 3.318) 6.258 15.050 ( -4.010 0.379 -2.027) 4.509 22.275 ( 0.342 -4.902 4.136) 6.423 22.560 ( -12.258 -12.102 13.284) 21.752 24.162 ( 2.364 -4.822 -1.045) 5.471 24.269 ( -5.871 -7.932 -4.222) 10.734 25.778 ( 2.558 22.390 0.942) 22.555 26.615 ( 13.718 10.185 -10.301) 19.951 28.675 ( 2.407 0.610 0.669) 2.572 28.829 ( -2.882 -2.235 -1.057) 3.798 ======================= Grid point 105 (50/145) ======================= q-point: ( 0.00 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( 1.186 20.798 3.391) 21.106 1.505 ( 0.637 16.921 3.542) 17.300 1.932 ( -3.574 -3.878 -1.206) 5.410 2.050 ( -1.908 -7.664 -6.214) 10.049 2.228 ( 1.840 0.504 5.834) 6.138 2.319 ( 1.685 -6.859 6.280) 9.451 2.475 ( 1.956 0.583 3.154) 3.757 2.564 ( 5.419 -0.304 8.429) 10.026 2.784 ( -0.266 18.625 7.482) 20.073 3.123 ( 0.775 5.617 -2.082) 6.041 3.457 ( 2.469 0.451 -2.294) 3.401 3.532 ( -2.567 -1.495 -3.127) 4.313 3.613 ( -0.627 -3.213 0.377) 3.295 3.646 ( -0.106 -5.570 0.339) 5.581 4.192 ( -2.655 -0.236 -6.014) 6.578 4.220 ( -1.499 -0.334 -4.309) 4.574 4.534 ( 2.147 1.335 0.869) 2.674 4.608 ( 4.885 -1.761 0.800) 5.254 5.899 ( 0.103 6.587 -2.095) 6.913 6.097 ( -0.453 -2.834 -0.264) 2.882 6.645 ( 1.634 8.422 -9.890) 13.092 6.741 ( 0.121 11.918 -3.152) 12.328 6.903 ( 5.050 0.734 -12.434) 13.440 7.050 ( 0.695 3.858 -2.641) 4.727 8.199 ( -6.021 6.503 21.797) 23.530 8.474 ( -7.330 -5.092 24.169) 25.765 10.218 ( 2.688 3.233 -2.559) 4.922 10.339 ( 1.759 -2.279 3.608) 4.616 10.707 ( -2.118 3.584 5.231) 6.686 10.794 ( 0.168 -0.291 3.997) 4.011 11.126 ( 3.761 -2.170 0.527) 4.374 11.322 ( -0.082 -11.153 -2.067) 11.343 11.831 ( -2.242 3.987 -4.629) 6.507 11.922 ( -1.478 1.670 -2.819) 3.595 12.566 ( -4.711 -1.249 -11.188) 12.204 12.636 ( -0.377 -4.545 -8.745) 9.863 14.871 ( -1.579 2.518 -2.352) 3.790 14.937 ( -2.303 0.040 -1.422) 2.707 15.033 ( 1.666 0.879 5.200) 5.531 15.093 ( 5.993 -2.099 6.076) 8.789 22.215 ( -1.271 -2.427 4.507) 5.274 22.288 ( -3.347 -5.242 4.905) 7.921 24.106 ( 1.399 -2.623 0.998) 3.136 24.150 ( 5.553 -4.561 2.510) 7.612 26.231 ( -1.113 18.595 -1.232) 18.669 26.716 ( 0.147 -3.663 -6.687) 7.626 28.717 ( -0.523 0.555 -0.166) 0.780 28.760 ( 0.283 -1.356 -0.274) 1.412 ======================= Grid point 106 (51/145) ======================= q-point: ( 0.12 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( 9.463 11.160 3.301) 15.000 1.575 ( 10.037 17.155 6.431) 20.890 1.861 ( -1.665 -3.539 -0.623) 3.960 2.077 ( 6.743 -4.148 -4.213) 8.968 2.309 ( 2.004 -1.412 5.022) 5.589 2.372 ( 0.106 -3.323 7.008) 7.756 2.631 ( 8.891 2.606 4.717) 10.397 2.776 ( 9.085 2.917 6.241) 11.402 2.867 ( 3.843 12.581 9.345) 16.136 3.092 ( -2.288 5.751 -2.856) 6.817 3.457 ( -2.771 -0.883 -2.785) 4.026 3.477 ( 1.073 -1.581 -2.160) 2.884 3.600 ( -4.033 -4.382 -1.558) 6.156 3.626 ( 1.958 -3.417 1.205) 4.119 4.083 ( -1.962 1.827 -3.796) 4.647 4.158 ( -1.568 -1.247 -5.021) 5.405 4.568 ( 0.562 3.915 0.049) 3.956 4.740 ( 6.270 -4.591 -0.953) 7.829 5.885 ( 0.137 6.832 -2.637) 7.324 6.073 ( -1.700 -2.582 -0.369) 3.113 6.581 ( 0.291 5.749 -13.374) 14.560 6.734 ( 0.165 11.232 -0.846) 11.265 6.891 ( 2.609 0.776 -12.445) 12.739 7.040 ( -0.148 5.998 -0.915) 6.070 8.205 ( -8.721 6.885 21.732) 24.408 8.472 ( -9.677 -4.522 23.969) 26.241 10.243 ( 0.680 6.734 -1.293) 6.890 10.406 ( 1.378 -0.573 5.896) 6.082 10.647 ( -3.810 3.919 1.538) 5.678 10.857 ( 0.468 -2.873 5.142) 5.909 11.247 ( 6.516 -2.882 2.574) 7.576 11.342 ( 4.201 -8.516 -0.889) 9.538 11.746 ( -2.797 0.655 -3.612) 4.615 11.881 ( 0.196 0.359 -3.138) 3.165 12.364 ( -6.828 -0.128 -13.962) 15.543 12.527 ( -3.376 -4.763 -12.634) 13.917 14.821 ( -2.122 2.120 -1.356) 3.292 14.879 ( -2.817 -0.166 -0.234) 2.832 15.093 ( 0.574 1.968 4.735) 5.159 15.229 ( 3.501 -4.585 5.331) 7.855 22.223 ( -0.296 -1.560 4.223) 4.511 22.312 ( 1.610 -5.258 4.632) 7.190 24.189 ( 5.574 -0.814 2.455) 6.145 24.313 ( 8.697 -6.560 3.365) 11.402 26.163 ( -4.450 18.091 -1.808) 18.718 26.614 ( -5.532 -2.316 -6.870) 9.120 28.690 ( -1.236 1.452 -0.346) 1.938 28.777 ( 0.835 -2.634 -0.188) 2.770 ======================= Grid point 107 (52/145) ======================= q-point: ( 0.25 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.679 ( 4.532 7.667 3.469) 9.558 1.851 ( -0.401 -1.927 1.967) 2.783 1.966 ( 18.300 10.926 6.806) 22.373 2.206 ( 7.416 -0.771 -2.255) 7.790 2.372 ( 1.587 -0.657 4.331) 4.659 2.444 ( 3.188 -0.988 6.182) 7.025 2.776 ( 3.059 6.139 3.964) 7.922 2.912 ( -0.155 8.305 -0.866) 8.352 3.035 ( 0.117 1.851 0.022) 1.855 3.044 ( 7.270 1.591 3.750) 8.334 3.407 ( -0.279 2.199 0.015) 2.217 3.442 ( -3.761 -2.203 -0.393) 4.377 3.548 ( 2.469 -3.215 -5.726) 7.016 3.715 ( 5.827 -4.538 1.337) 7.506 4.058 ( 0.491 1.555 -3.095) 3.499 4.134 ( 3.184 0.458 -3.755) 4.944 4.541 ( -3.101 6.169 -1.325) 7.031 4.796 ( 0.876 -6.149 -3.085) 6.935 5.875 ( 0.749 6.679 -2.212) 7.076 6.030 ( -2.376 -1.515 -0.513) 2.864 6.498 ( 0.774 5.019 -12.860) 13.826 6.709 ( -0.662 1.477 -6.330) 6.533 6.864 ( 2.045 9.860 -6.710) 12.100 7.033 ( -0.534 7.936 0.153) 7.956 8.157 ( -10.453 7.014 19.796) 23.459 8.430 ( -11.122 -4.776 23.640) 26.558 10.223 ( -1.774 11.940 -0.823) 12.099 10.427 ( -2.625 3.679 3.430) 5.674 10.652 ( 2.043 -2.256 5.948) 6.681 10.839 ( -3.942 -6.542 0.036) 7.638 11.329 ( 2.059 -4.153 -1.455) 4.858 11.504 ( 8.586 -7.411 4.040) 12.040 11.700 ( 0.142 2.195 -0.210) 2.210 11.931 ( 6.198 -1.645 1.813) 6.664 12.139 ( -6.596 0.180 -13.291) 14.838 12.352 ( -4.858 -4.772 -14.601) 16.111 14.778 ( -1.600 1.557 -0.493) 2.286 14.828 ( -2.529 -0.334 0.409) 2.583 15.113 ( -1.112 2.397 2.858) 3.893 15.290 ( 0.158 -5.585 2.666) 6.191 22.261 ( 1.209 -0.305 3.194) 3.429 22.386 ( 1.998 -5.877 6.423) 8.932 24.327 ( 6.875 0.395 0.707) 6.922 24.502 ( 8.632 -7.396 1.268) 11.438 26.062 ( -4.261 16.841 -1.191) 17.412 26.434 ( -8.023 0.644 -5.716) 9.872 28.675 ( -0.121 1.654 -0.169) 1.667 28.782 ( -0.160 -3.273 -0.184) 3.282 ======================= Grid point 108 (53/145) ======================= q-point: ( 0.38 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.763 ( 1.813 4.700 1.285) 5.199 1.863 ( -0.284 -0.212 3.535) 3.553 2.253 ( 4.398 5.097 1.694) 6.942 2.317 ( 5.185 2.852 3.500) 6.876 2.444 ( 2.602 1.895 6.585) 7.329 2.562 ( 5.509 1.486 1.041) 5.800 2.798 ( -3.937 9.746 0.050) 10.511 2.849 ( -0.678 6.642 0.388) 6.688 3.040 ( -1.078 -2.640 0.419) 2.882 3.134 ( 1.728 -4.636 -0.357) 4.961 3.361 ( -2.552 -0.906 -2.106) 3.430 3.476 ( 4.404 2.771 -0.930) 5.286 3.585 ( 4.884 -2.597 -5.360) 7.702 3.818 ( 4.560 -6.262 -3.090) 8.340 4.067 ( 2.667 6.475 -2.756) 7.526 4.212 ( 5.815 2.232 -3.267) 7.033 4.442 ( -5.210 6.908 -1.320) 8.753 4.751 ( -2.334 -7.243 -3.110) 8.220 5.889 ( 1.755 5.829 -0.916) 6.156 5.980 ( -2.288 0.252 -0.599) 2.378 6.458 ( 3.805 4.265 -11.273) 12.639 6.640 ( -0.018 -2.164 -10.028) 10.259 6.874 ( 1.741 14.330 -2.585) 14.665 7.017 ( -1.152 9.590 -0.073) 9.660 8.085 ( -9.507 6.783 17.241) 20.824 8.373 ( -10.965 -5.714 23.405) 26.470 10.182 ( -1.508 13.670 -0.347) 13.757 10.390 ( -2.584 4.363 2.041) 5.466 10.724 ( -4.607 -5.889 -0.521) 7.495 10.768 ( 2.297 -6.756 6.147) 9.418 11.344 ( 0.941 -4.355 -0.769) 4.522 11.585 ( 0.214 -13.773 -1.346) 13.840 11.783 ( 2.651 10.157 -0.672) 10.519 11.972 ( 0.118 0.004 -5.251) 5.252 12.100 ( 3.226 -3.264 -0.763) 4.653 12.200 ( 2.829 -4.812 -4.737) 7.321 14.756 ( -0.558 0.859 0.135) 1.034 14.790 ( -1.723 -0.239 0.813) 1.919 15.093 ( -2.011 2.512 0.333) 3.235 15.281 ( -1.548 -5.522 -0.429) 5.751 22.297 ( 0.368 0.933 2.361) 2.565 22.465 ( 0.578 -6.661 8.822) 11.069 24.430 ( 3.990 1.045 -3.214) 5.229 24.634 ( 4.843 -7.776 -2.541) 9.507 26.005 ( -1.153 14.706 0.229) 14.753 26.261 ( -5.669 4.551 -3.962) 8.279 28.680 ( 0.555 1.165 -0.099) 1.294 28.772 ( -0.642 -3.126 0.027) 3.191 ======================= Grid point 109 (54/145) ======================= q-point: (-0.50 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( -2.273 5.515 -1.013) 6.050 1.877 ( -1.206 0.412 4.163) 4.353 2.273 ( -1.765 3.432 1.575) 4.168 2.349 ( -3.002 4.882 -0.288) 5.738 2.445 ( -6.463 2.580 3.393) 7.742 2.654 ( 1.265 0.356 -0.649) 1.466 2.776 ( 2.868 10.104 1.497) 10.609 2.834 ( -1.801 3.708 1.227) 4.301 3.013 ( -1.754 -2.144 0.594) 2.833 3.148 ( 0.057 -5.505 -0.324) 5.515 3.325 ( 0.483 1.492 -2.569) 3.010 3.470 ( -2.892 0.733 -5.738) 6.467 3.650 ( 4.012 -0.773 -3.192) 5.185 3.855 ( 1.941 -7.217 -4.431) 8.688 4.063 ( -1.222 8.172 -4.856) 9.584 4.245 ( -0.342 2.574 -5.018) 5.650 4.394 ( 1.624 6.908 0.394) 7.107 4.719 ( 1.798 -7.710 -2.391) 8.270 5.925 ( 1.529 4.147 0.343) 4.433 5.945 ( -0.420 2.180 -0.213) 2.230 6.497 ( 7.600 3.338 -10.154) 13.115 6.596 ( 2.808 -0.042 -10.348) 10.723 6.880 ( 0.202 14.346 -2.020) 14.489 6.994 ( -0.584 10.479 -0.879) 10.532 8.039 ( -6.499 6.217 15.540) 17.955 8.333 ( -9.300 -6.642 23.408) 26.048 10.171 ( 0.387 10.651 0.129) 10.659 10.359 ( -1.863 3.006 0.859) 3.639 10.615 ( -3.952 -3.104 -2.283) 5.519 10.862 ( 1.060 -8.105 7.501) 11.094 11.367 ( 1.444 -3.927 0.616) 4.229 11.541 ( -3.264 -9.388 -6.877) 12.087 11.703 ( -2.294 5.656 -5.262) 8.059 11.975 ( -1.054 -7.600 -6.180) 9.852 12.147 ( 7.527 5.431 5.824) 10.958 12.406 ( 9.735 -4.761 7.260) 13.044 14.758 ( 0.444 0.211 0.620) 0.792 14.776 ( -0.275 0.165 1.074) 1.121 15.047 ( -1.985 2.690 -2.031) 3.912 15.236 ( -1.780 -5.095 -2.936) 6.144 22.304 ( -1.354 2.127 2.449) 3.515 22.517 ( -2.055 -7.608 10.408) 13.055 24.419 ( -1.511 1.101 -7.210) 7.448 24.634 ( -1.896 -8.159 -6.382) 10.531 26.010 ( 0.631 13.811 1.219) 13.879 26.211 ( 3.320 6.872 -1.642) 7.806 28.687 ( -0.017 0.896 -0.098) 0.901 28.766 ( 0.200 -2.957 0.238) 2.973 ======================= Grid point 110 (55/145) ======================= q-point: (-0.38 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.670 ( -5.389 10.015 -1.991) 11.546 1.881 ( -0.768 0.298 4.152) 4.233 2.121 ( -13.995 9.468 -1.366) 16.952 2.286 ( -2.143 2.333 1.478) 3.495 2.360 ( -4.935 -3.187 2.921) 6.561 2.581 ( -7.113 -3.822 -0.397) 8.084 2.764 ( -3.098 5.911 0.198) 6.677 2.898 ( 4.651 5.648 -0.493) 7.334 2.955 ( -4.987 1.573 -2.129) 5.646 3.088 ( -7.138 0.900 -3.205) 7.876 3.334 ( 0.863 2.665 -2.453) 3.723 3.367 ( 0.155 2.502 -2.460) 3.513 3.681 ( 0.743 -2.926 -0.744) 3.109 3.808 ( -4.045 -6.298 -2.362) 7.849 4.027 ( 1.407 3.652 -4.194) 5.737 4.184 ( -0.955 0.514 -3.381) 3.551 4.457 ( 3.784 6.914 -1.582) 8.039 4.760 ( 3.370 -7.217 -4.368) 9.085 5.922 ( -0.519 3.799 0.204) 3.840 5.988 ( 2.926 1.861 0.793) 3.558 6.601 ( 9.583 2.631 -9.574) 13.800 6.609 ( 5.352 3.329 -10.007) 11.826 6.856 ( -0.555 14.113 -3.076) 14.455 6.990 ( 0.898 9.394 -1.349) 9.533 8.046 ( -3.837 5.742 15.580) 17.042 8.334 ( -7.020 -7.010 23.626) 25.624 10.191 ( 1.578 5.424 -0.559) 5.677 10.320 ( -1.955 -0.480 -1.643) 2.599 10.565 ( -0.741 2.576 1.205) 2.939 10.894 ( -1.947 -8.563 4.549) 9.890 11.374 ( -5.878 -1.889 -8.054) 10.148 11.398 ( 0.347 -4.226 -1.978) 4.679 11.691 ( 2.249 2.085 0.324) 3.084 11.958 ( 1.301 -5.795 -0.316) 5.948 12.339 ( 7.774 3.657 5.713) 10.317 12.608 ( 6.605 -5.259 4.872) 9.748 14.777 ( 1.129 0.432 1.085) 1.624 14.799 ( 1.731 0.104 1.287) 2.160 14.996 ( -1.328 3.006 -3.353) 4.695 15.177 ( -1.780 -4.397 -4.279) 6.388 22.281 ( -2.806 2.511 3.144) 4.905 22.520 ( -5.133 -8.344 10.701) 14.508 24.293 ( -5.146 0.552 -8.671) 10.098 24.490 ( -7.163 -8.048 -8.164) 13.518 26.051 ( 2.916 16.185 1.664) 16.529 26.344 ( 9.984 4.706 -0.768) 11.064 28.678 ( -0.539 1.528 -0.109) 1.624 28.782 ( 0.956 -3.319 0.312) 3.468 ======================= Grid point 111 (56/145) ======================= q-point: (-0.25 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.552 ( -5.068 15.415 -0.974) 16.256 1.806 ( -17.298 13.663 0.242) 22.044 1.913 ( 0.896 -0.834 4.267) 4.439 2.250 ( -2.400 -3.979 0.531) 4.677 2.285 ( -5.331 -3.893 4.659) 8.079 2.418 ( -8.768 -6.630 -0.707) 11.015 2.668 ( -8.909 1.961 -0.997) 9.176 2.781 ( -10.525 -3.640 -6.762) 13.029 2.810 ( -7.132 19.816 -0.794) 21.075 3.032 ( 3.742 6.435 -0.342) 7.452 3.357 ( 3.341 2.872 -2.113) 4.886 3.438 ( 5.652 -1.404 0.237) 5.828 3.676 ( -1.043 -4.209 -0.193) 4.341 3.716 ( -4.076 -4.479 0.418) 6.070 4.050 ( 3.584 3.378 -2.372) 5.466 4.193 ( 3.076 -1.713 -1.166) 3.709 4.496 ( 1.756 4.953 -2.728) 5.921 4.750 ( -1.213 -6.946 -5.986) 9.249 5.915 ( -0.145 5.053 -0.474) 5.078 6.049 ( 2.635 -0.561 0.867) 2.830 6.643 ( 4.299 7.911 -8.334) 12.268 6.717 ( 7.851 2.606 -8.453) 11.827 6.836 ( 2.580 11.558 -7.129) 13.822 7.008 ( 1.920 7.151 -1.374) 7.530 8.092 ( -3.067 5.658 17.383) 18.536 8.376 ( -5.464 -6.739 23.867) 25.395 10.209 ( 1.249 1.547 -3.674) 4.177 10.279 ( -0.771 -1.994 -0.331) 2.164 10.591 ( 1.378 4.420 3.207) 5.632 10.864 ( -3.513 -7.206 3.540) 8.764 11.207 ( -4.673 1.025 -7.582) 8.965 11.386 ( -1.114 -8.155 -0.907) 8.280 11.776 ( 4.686 4.800 2.406) 7.127 11.980 ( 0.186 -1.424 0.469) 1.510 12.513 ( 7.031 0.311 2.586) 7.498 12.714 ( 2.592 -5.242 -0.176) 5.850 14.824 ( 2.915 1.019 1.744) 3.547 14.855 ( 2.944 0.028 1.857) 3.481 14.954 ( -0.682 3.072 -3.043) 4.378 15.109 ( -2.389 -3.200 -4.086) 5.713 22.244 ( -3.264 1.485 3.743) 5.183 22.464 ( -7.686 -8.500 9.544) 14.914 24.145 ( -4.036 -0.539 -6.295) 7.497 24.288 ( -7.662 -6.910 -6.779) 12.346 26.136 ( 4.436 18.196 1.312) 18.775 26.540 ( 10.508 1.168 -2.140) 10.787 28.675 ( 0.445 2.109 0.082) 2.157 28.795 ( 0.055 -3.333 0.078) 3.334 ======================= Grid point 112 (57/145) ======================= q-point: (-0.12 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.460 ( -8.188 17.847 1.899) 19.727 1.522 ( -7.769 19.468 1.542) 21.018 1.955 ( 0.384 -2.458 2.163) 3.297 2.204 ( -5.916 -6.568 1.787) 9.019 2.238 ( -5.209 -2.684 -1.120) 5.966 2.244 ( -1.534 -7.708 2.399) 8.217 2.501 ( -5.081 1.246 1.308) 5.393 2.547 ( -7.973 -1.494 0.110) 8.112 2.763 ( -1.633 19.842 4.425) 20.395 3.096 ( 3.055 5.644 -1.305) 6.549 3.412 ( 3.378 2.080 -1.566) 4.265 3.542 ( 4.522 -3.495 -1.942) 6.036 3.638 ( -2.344 -3.298 -0.434) 4.070 3.658 ( -2.481 -3.390 1.052) 4.331 4.145 ( 6.854 2.391 -1.659) 7.447 4.250 ( 2.688 -2.165 -2.111) 4.046 4.500 ( 0.712 2.118 -0.993) 2.445 4.642 ( -5.096 -4.164 -4.507) 7.976 5.909 ( 0.092 6.019 -1.299) 6.158 6.091 ( 1.172 -2.263 0.233) 2.559 6.657 ( 2.478 10.721 -6.698) 12.882 6.760 ( 1.955 7.808 -6.098) 10.098 6.868 ( 6.756 4.107 -12.123) 14.473 7.038 ( 2.097 4.692 -2.055) 5.535 8.152 ( -3.970 5.970 19.963) 21.211 8.434 ( -5.569 -6.004 24.081) 25.435 10.199 ( 1.468 1.603 -4.497) 4.995 10.293 ( 1.178 -2.745 1.736) 3.455 10.651 ( 2.032 3.467 4.707) 6.189 10.820 ( -3.709 -3.655 4.203) 6.692 11.111 ( -0.913 0.260 -4.047) 4.157 11.352 ( -1.497 -10.582 -1.190) 10.754 11.857 ( 2.080 6.064 -0.779) 6.458 11.964 ( -1.403 0.986 -1.240) 2.117 12.623 ( 3.806 -1.773 -2.742) 5.015 12.704 ( -1.162 -4.496 -6.280) 7.811 14.899 ( 1.883 2.235 -1.581) 3.323 14.925 ( 2.258 1.074 2.109) 3.271 14.953 ( 3.577 0.558 3.110) 4.773 15.035 ( -2.936 -1.674 -1.592) 3.736 22.216 ( -2.197 -0.649 4.039) 4.644 22.365 ( -7.920 -7.347 7.236) 13.002 24.082 ( 0.587 -2.333 -1.610) 2.895 24.138 ( -3.944 -4.725 -2.769) 6.749 26.217 ( 2.871 18.802 0.077) 19.020 26.688 ( 6.629 -2.254 -4.650) 8.405 28.697 ( 1.533 1.506 0.281) 2.167 28.782 ( -1.282 -2.270 -0.362) 2.632 ======================= Grid point 113 (58/145) ======================= q-point: ( 0.00 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.768 ( -1.613 -16.262 -2.466) 16.527 1.768 ( -1.613 16.262 -2.466) 16.527 1.799 ( -0.472 -11.653 2.127) 11.855 1.799 ( -0.472 11.653 2.127) 11.855 2.232 ( 1.342 -1.483 5.684) 6.026 2.232 ( 1.342 1.483 5.684) 6.026 2.510 ( 4.144 -2.868 6.197) 7.987 2.510 ( 4.144 2.868 6.197) 7.987 3.111 ( 0.161 -9.094 2.239) 9.367 3.111 ( 0.161 9.094 2.239) 9.367 3.480 ( 0.140 -2.785 -2.305) 3.618 3.480 ( 0.140 2.785 -2.305) 3.618 3.577 ( -1.021 -0.704 -0.374) 1.296 3.577 ( -1.021 0.704 -0.374) 1.296 4.202 ( -1.655 -1.001 -5.004) 5.365 4.202 ( -1.655 1.001 -5.004) 5.365 4.569 ( 3.521 -1.903 0.725) 4.067 4.569 ( 3.521 1.903 0.725) 4.067 6.018 ( -0.098 -4.741 -1.180) 4.887 6.018 ( -0.098 4.741 -1.180) 4.887 6.766 ( 2.333 -4.543 -12.747) 13.732 6.766 ( 2.333 4.543 -12.747) 13.732 7.045 ( 1.162 -5.827 -2.180) 6.328 7.045 ( 1.162 5.827 -2.180) 6.328 8.345 ( -6.555 -7.018 23.626) 25.504 8.345 ( -6.555 7.018 23.626) 25.504 10.281 ( 2.867 -2.920 1.089) 4.235 10.281 ( 2.867 2.920 1.089) 4.235 10.769 ( -0.681 -2.023 6.095) 6.458 10.769 ( -0.681 2.023 6.095) 6.458 11.148 ( 1.724 -4.778 -1.924) 5.432 11.148 ( 1.724 4.778 -1.924) 5.432 11.905 ( -2.739 -2.754 -4.356) 5.837 11.905 ( -2.739 2.754 -4.356) 5.837 12.573 ( -2.071 -1.781 -10.052) 10.416 12.573 ( -2.071 1.781 -10.052) 10.416 14.918 ( -2.274 -1.768 -1.687) 3.338 14.918 ( -2.274 1.768 -1.687) 3.338 15.056 ( 3.701 -1.432 5.367) 6.675 15.056 ( 3.701 1.432 5.367) 6.675 22.210 ( -1.910 -1.914 4.052) 4.871 22.210 ( -1.910 1.914 4.052) 4.871 24.090 ( 3.382 -1.126 1.801) 3.994 24.090 ( 3.382 1.126 1.801) 3.994 26.553 ( -0.760 -11.778 -3.334) 12.264 26.553 ( -0.760 11.778 -3.334) 12.264 28.734 ( -0.187 -1.052 -0.220) 1.091 28.734 ( -0.187 1.052 -0.220) 1.091 ======================= Grid point 115 (59/145) ======================= q-point: ( 0.12 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.752 ( 1.505 -6.221 -0.685) 6.437 1.752 ( 1.505 6.221 -0.685) 6.437 1.911 ( 9.634 -12.277 2.473) 15.800 1.911 ( 9.634 12.277 2.473) 15.800 2.300 ( 1.454 -1.472 6.489) 6.810 2.300 ( 1.454 1.472 6.489) 6.810 2.706 ( 9.651 -4.483 6.169) 12.300 2.706 ( 9.651 4.483 6.169) 12.300 3.121 ( -0.574 -5.698 1.104) 5.833 3.121 ( -0.574 5.698 1.104) 5.833 3.454 ( -0.833 -0.135 -1.084) 1.373 3.454 ( -0.833 0.135 -1.084) 1.373 3.556 ( -0.715 -1.626 -0.847) 1.968 3.556 ( -0.715 1.626 -0.847) 1.968 4.124 ( -1.613 -2.010 -4.447) 5.140 4.124 ( -1.613 2.010 -4.447) 5.140 4.652 ( 3.477 -4.026 -0.305) 5.328 4.652 ( 3.477 4.026 -0.305) 5.328 6.001 ( -0.554 -4.412 -1.598) 4.725 6.001 ( -0.554 4.412 -1.598) 4.725 6.701 ( 0.342 -5.691 -13.420) 14.580 6.701 ( 0.342 5.691 -13.420) 14.580 7.058 ( 1.239 -5.459 -0.965) 5.681 7.058 ( 1.239 5.459 -0.965) 5.681 8.352 ( -9.210 -6.786 23.205) 25.872 8.352 ( -9.210 6.786 23.205) 25.872 10.352 ( 2.485 -3.973 3.987) 6.153 10.352 ( 2.485 3.973 3.987) 6.153 10.758 ( -3.793 -5.865 3.045) 7.620 10.758 ( -3.793 5.865 3.045) 7.620 11.231 ( 6.678 -2.105 0.505) 7.020 11.231 ( 6.678 2.105 0.505) 7.020 11.814 ( -2.595 -4.819 -4.046) 6.806 11.814 ( -2.595 4.819 -4.046) 6.806 12.428 ( -4.484 -4.725 -13.395) 14.895 12.428 ( -4.484 4.725 -13.395) 14.895 14.861 ( -2.715 -1.525 -0.609) 3.173 14.861 ( -2.715 1.525 -0.609) 3.173 15.146 ( 1.804 -3.240 4.733) 6.013 15.146 ( 1.804 3.240 4.733) 6.013 22.230 ( 1.018 -2.240 3.970) 4.671 22.230 ( 1.018 2.240 3.970) 4.671 24.212 ( 7.119 -3.027 3.027) 8.307 24.212 ( 7.119 3.027 3.027) 8.307 26.472 ( -4.694 -11.033 -3.961) 12.627 26.472 ( -4.694 11.033 -3.961) 12.627 28.727 ( -0.289 -2.073 -0.298) 2.114 28.727 ( -0.289 2.073 -0.298) 2.114 ======================= Grid point 117 (60/145) ======================= q-point: ( 0.25 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.794 ( 2.112 -3.652 1.347) 4.429 1.794 ( 2.112 3.652 1.347) 4.429 2.157 ( 12.748 -5.491 0.906) 13.909 2.157 ( 12.748 5.491 0.906) 13.909 2.384 ( 2.249 -2.664 9.260) 9.895 2.384 ( 2.249 2.664 9.260) 9.895 2.887 ( 5.229 -5.063 2.414) 7.668 2.887 ( 5.229 5.063 2.414) 7.668 3.087 ( -2.684 -3.456 -2.101) 4.854 3.087 ( -2.684 3.456 -2.101) 4.854 3.435 ( -0.876 -1.341 -1.507) 2.199 3.435 ( -0.876 1.341 -1.507) 2.199 3.578 ( 4.230 -6.931 0.060) 8.120 3.578 ( 4.230 6.931 0.060) 8.120 4.110 ( 3.002 -2.554 -2.818) 4.845 4.110 ( 3.002 2.554 -2.818) 4.845 4.670 ( -0.930 -6.043 -2.258) 6.518 4.670 ( -0.930 6.043 -2.258) 6.518 5.979 ( -0.483 -3.513 -1.544) 3.868 5.979 ( -0.483 3.513 -1.544) 3.868 6.614 ( 0.181 -5.902 -12.689) 13.995 6.614 ( 0.181 5.902 -12.689) 13.995 7.077 ( 1.046 -4.754 -0.382) 4.883 7.077 ( 1.046 4.754 -0.382) 4.883 8.306 ( -10.987 -6.869 21.748) 25.315 8.306 ( -10.987 6.869 21.748) 25.315 10.415 ( 0.432 -5.633 4.917) 7.490 10.415 ( 0.432 5.633 4.917) 7.490 10.686 ( -3.951 -6.084 0.320) 7.262 10.686 ( -3.951 6.084 0.320) 7.262 11.343 ( 3.432 -5.302 -0.896) 6.379 11.343 ( 3.432 5.302 -0.896) 6.379 11.814 ( 4.259 -6.795 3.009) 8.566 11.814 ( 4.259 6.795 3.009) 8.566 12.238 ( -5.043 -6.118 -14.722) 16.722 12.238 ( -5.043 6.118 -14.722) 16.722 14.810 ( -2.310 -1.333 0.107) 2.669 14.810 ( -2.310 1.333 0.107) 2.669 15.183 ( -0.497 -4.348 2.630) 5.106 15.183 ( -0.497 4.348 2.630) 5.106 22.290 ( 1.851 -3.105 4.547) 5.809 22.290 ( 1.851 3.105 4.547) 5.809 24.377 ( 7.799 -4.329 1.191) 8.999 24.377 ( 7.799 4.329 1.191) 8.999 26.342 ( -5.672 -9.287 -3.295) 11.370 26.342 ( -5.672 9.287 -3.295) 11.370 28.720 ( -0.243 -2.573 -0.200) 2.592 28.720 ( -0.243 2.573 -0.200) 2.592 ======================= Grid point 119 (61/145) ======================= q-point: ( 0.38 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.836 ( 0.957 -2.334 1.724) 3.055 1.836 ( 0.957 2.334 1.724) 3.055 2.325 ( 3.917 -1.925 -0.017) 4.365 2.325 ( 3.917 1.925 -0.017) 4.365 2.524 ( 4.327 -4.336 9.449) 11.260 2.524 ( 4.327 4.336 9.449) 11.260 2.932 ( -1.250 -4.057 -0.431) 4.267 2.932 ( -1.250 4.057 -0.431) 4.267 3.023 ( -1.367 -5.980 -0.921) 6.203 3.023 ( -1.367 5.980 -0.921) 6.203 3.409 ( 0.490 -4.852 -3.759) 6.157 3.409 ( 0.490 4.852 -3.759) 6.157 3.672 ( 5.091 -7.050 -3.087) 9.228 3.672 ( 5.091 7.050 -3.087) 9.228 4.191 ( 5.801 -4.125 -2.113) 7.425 4.191 ( 5.801 4.125 -2.113) 7.425 4.597 ( -3.995 -7.480 -2.658) 8.887 4.597 ( -3.995 7.480 -2.658) 8.887 5.966 ( -0.028 -1.871 -0.930) 2.089 5.966 ( -0.028 1.871 -0.930) 2.089 6.555 ( 2.364 -4.788 -11.300) 12.499 6.555 ( 2.364 4.788 -11.300) 12.499 7.088 ( 0.362 -3.781 -0.584) 3.843 7.088 ( 0.362 3.781 -0.584) 3.843 8.236 ( -10.562 -7.227 20.121) 23.846 8.236 ( -10.562 7.227 20.121) 23.846 10.412 ( -2.802 -5.835 0.567) 6.498 10.412 ( -2.802 5.835 0.567) 6.498 10.646 ( -1.044 -1.987 3.196) 3.906 10.646 ( -1.044 1.987 3.196) 3.906 11.362 ( 0.579 -6.284 -0.836) 6.366 11.362 ( 0.579 6.284 -0.836) 6.366 11.943 ( 1.050 -4.152 -1.963) 4.711 11.943 ( 1.050 4.152 -1.963) 4.711 12.099 ( 3.459 -3.520 -4.053) 6.386 12.099 ( 3.459 3.520 -4.053) 6.386 14.777 ( -1.317 -0.989 0.607) 1.755 14.777 ( -1.317 0.989 0.607) 1.755 15.169 ( -1.683 -4.756 -0.022) 5.045 15.169 ( -1.683 4.756 -0.022) 5.045 22.350 ( 0.623 -4.111 5.507) 6.900 22.350 ( 0.623 4.111 5.507) 6.900 24.496 ( 4.345 -5.093 -2.718) 7.226 24.496 ( 4.345 5.093 -2.718) 7.226 26.236 ( -2.976 -6.644 -1.674) 7.470 26.236 ( -2.976 6.644 -1.674) 7.470 28.716 ( -0.119 -2.222 -0.040) 2.225 28.716 ( -0.119 2.222 -0.040) 2.225 ======================= Grid point 121 (62/145) ======================= q-point: (-0.50 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.850 ( -0.739 -3.003 1.593) 3.479 1.850 ( -0.739 3.003 1.593) 3.479 2.339 ( -2.220 -2.705 0.608) 3.552 2.339 ( -2.220 2.705 0.608) 3.552 2.576 ( -4.963 -6.678 4.335) 9.382 2.576 ( -4.963 6.678 4.335) 9.382 2.891 ( -0.152 -1.326 -2.732) 3.041 2.891 ( -0.152 1.326 -2.732) 3.041 3.028 ( 0.721 -5.292 2.314) 5.820 3.028 ( 0.721 5.292 2.314) 5.820 3.404 ( 1.248 -5.155 -3.766) 6.504 3.404 ( 1.248 5.155 -3.766) 6.504 3.713 ( 1.701 -5.797 -4.345) 7.441 3.713 ( 1.701 5.797 -4.345) 7.441 4.215 ( -1.854 -5.079 -5.256) 7.541 4.215 ( -1.854 5.079 -5.256) 7.541 4.554 ( 2.160 -7.912 -1.118) 8.277 4.554 ( 2.160 7.912 -1.118) 8.277 5.967 ( 0.541 -0.329 -0.110) 0.643 5.967 ( 0.541 0.329 -0.110) 0.643 6.562 ( 5.864 -2.656 -10.280) 12.129 6.562 ( 5.864 2.656 -10.280) 12.129 7.081 ( -0.406 -3.097 -1.120) 3.318 7.081 ( -0.406 3.097 -1.120) 3.318 8.185 ( -8.145 -7.358 19.204) 22.120 8.185 ( -8.145 7.358 19.204) 22.120 10.342 ( -2.982 -5.316 -2.743) 6.684 10.342 ( -2.982 5.316 -2.743) 6.684 10.669 ( -0.075 -8.335 4.900) 9.668 10.669 ( -0.075 8.335 4.900) 9.668 11.376 ( 0.781 -4.757 -0.339) 4.833 11.376 ( 0.781 4.757 -0.339) 4.833 11.831 ( -3.059 -6.227 -7.853) 10.479 11.831 ( -3.059 6.227 -7.853) 10.479 12.285 ( 8.988 -6.656 6.624) 12.998 12.285 ( 8.988 6.656 6.624) 12.998 14.770 ( 0.012 -0.666 0.960) 1.168 14.770 ( 0.012 0.666 0.960) 1.168 15.127 ( -1.705 -4.839 -2.285) 5.617 15.127 ( -1.705 4.839 -2.285) 5.617 22.381 ( -1.681 -5.222 6.427) 8.450 22.381 ( -1.681 5.222 6.427) 8.450 24.489 ( -1.858 -5.367 -6.714) 8.795 24.489 ( -1.858 5.367 -6.714) 8.795 26.222 ( 2.093 -5.481 0.132) 5.868 26.222 ( 2.093 5.481 0.132) 5.868 28.716 ( 0.110 -1.880 0.077) 1.885 28.716 ( 0.110 1.880 0.077) 1.885 ======================= Grid point 123 (63/145) ======================= q-point: (-0.38 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.834 ( -1.704 -5.135 1.612) 5.646 1.834 ( -1.704 5.135 1.612) 5.646 2.253 ( -7.015 -4.299 -0.015) 8.227 2.253 ( -7.015 4.299 -0.015) 8.227 2.436 ( -9.711 -8.343 2.113) 12.976 2.436 ( -9.711 8.343 2.113) 12.976 2.865 ( -2.240 -3.895 -3.219) 5.527 2.865 ( -2.240 3.895 -3.219) 5.527 3.062 ( 1.180 -4.269 0.760) 4.494 3.062 ( 1.180 4.269 0.760) 4.494 3.396 ( 0.454 -1.687 -2.974) 3.449 3.396 ( 0.454 1.687 -2.974) 3.449 3.677 ( -2.750 -4.012 -1.531) 5.099 3.677 ( -2.750 4.012 -1.531) 5.099 4.133 ( -1.221 -4.885 -4.038) 6.454 4.133 ( -1.221 4.885 -4.038) 6.454 4.609 ( 3.380 -7.275 -3.265) 8.661 4.609 ( 3.380 7.275 -3.265) 8.661 5.983 ( 0.986 -1.899 0.337) 2.166 5.983 ( 0.986 1.899 0.337) 2.166 6.633 ( 8.291 -0.483 -10.213) 13.163 6.633 ( 8.291 0.483 -10.213) 13.163 7.062 ( -0.560 -3.529 -1.559) 3.898 7.062 ( -0.560 3.529 -1.559) 3.898 8.185 ( -5.472 -7.184 19.509) 21.498 8.185 ( -5.472 7.184 19.509) 21.498 10.276 ( -1.613 -3.170 -3.317) 4.864 10.276 ( -1.613 3.170 -3.317) 4.864 10.695 ( -0.387 -8.990 3.762) 9.753 10.695 ( -0.387 8.990 3.762) 9.753 11.350 ( -2.299 -0.606 -4.271) 4.888 11.350 ( -2.299 0.606 -4.271) 4.888 11.801 ( 2.563 -7.465 0.962) 7.951 11.801 ( 2.563 7.465 0.962) 7.951 12.475 ( 6.607 -7.269 4.468) 10.792 12.475 ( 6.607 7.269 4.468) 10.792 14.791 ( 1.465 -0.718 1.272) 2.069 14.791 ( 1.465 0.718 1.272) 2.069 15.078 ( -1.311 -4.669 -3.436) 5.944 15.078 ( -1.311 4.669 -3.436) 5.944 22.369 ( -4.116 -5.837 6.769) 9.840 22.369 ( -4.116 5.837 6.769) 9.840 24.352 ( -6.254 -4.892 -8.322) 11.502 24.352 ( -6.254 4.892 -8.322) 11.502 26.309 ( 6.054 -7.636 0.912) 9.787 26.309 ( 6.054 7.636 0.912) 9.787 28.721 ( 0.338 -2.510 0.122) 2.536 28.721 ( 0.338 2.510 0.122) 2.536 ======================= Grid point 125 (64/145) ======================= q-point: (-0.25 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.817 ( -1.173 -8.995 1.881) 9.264 1.817 ( -1.173 8.995 1.881) 9.264 2.074 ( -11.064 -11.206 1.450) 15.814 2.074 ( -11.064 11.206 1.450) 15.814 2.289 ( -6.454 -3.767 1.233) 7.574 2.289 ( -6.454 3.767 1.233) 7.574 2.716 ( -10.222 -2.625 -4.083) 11.316 2.716 ( -10.222 2.625 -4.083) 11.316 3.077 ( 0.722 -4.497 -0.600) 4.594 3.077 ( 0.722 4.497 -0.600) 4.594 3.408 ( 2.503 -1.610 -1.000) 3.139 3.408 ( 2.503 1.610 -1.000) 3.139 3.631 ( -1.558 -1.639 0.648) 2.353 3.631 ( -1.558 1.639 0.648) 2.353 4.132 ( 2.852 -3.966 -1.804) 5.208 4.132 ( 2.852 3.966 -1.804) 5.208 4.614 ( -0.069 -6.128 -4.650) 7.693 4.614 ( -0.069 6.128 -4.650) 7.693 6.005 ( 0.992 -3.425 0.113) 3.567 6.005 ( 0.992 3.425 0.113) 3.567 6.723 ( 7.932 -1.500 -10.891) 13.556 6.723 ( 7.932 1.500 -10.891) 13.556 7.045 ( 0.141 -4.695 -1.947) 5.085 7.045 ( 0.141 4.695 -1.947) 5.085 8.230 ( -4.183 -7.098 20.914) 22.479 8.230 ( -4.183 7.098 20.914) 22.479 10.238 ( -0.068 -1.658 -2.927) 3.365 10.238 ( -0.068 1.658 -2.927) 3.365 10.708 ( -0.424 -6.874 3.118) 7.560 10.708 ( -0.424 6.874 3.118) 7.560 11.257 ( -3.497 -4.049 -4.240) 6.827 11.257 ( -3.497 4.049 -4.240) 6.827 11.892 ( 3.818 -5.792 3.092) 7.595 11.892 ( 3.818 5.792 3.092) 7.595 12.594 ( 4.122 -5.835 0.195) 7.146 12.594 ( 4.122 5.835 0.195) 7.146 14.845 ( 3.031 -0.874 1.935) 3.701 14.845 ( 3.031 0.874 1.935) 3.701 15.031 ( -1.306 -3.978 -3.170) 5.252 15.031 ( -1.306 3.978 -3.170) 5.252 22.317 ( -5.647 -5.377 6.130) 9.919 22.317 ( -5.647 5.377 6.130) 9.919 24.177 ( -5.828 -3.510 -6.343) 9.302 24.177 ( -5.828 3.510 -6.343) 9.302 26.440 ( 6.591 -10.186 0.109) 12.132 26.440 ( 6.591 10.186 0.109) 12.132 28.729 ( 0.395 -2.930 0.121) 2.959 28.729 ( 0.395 2.930 0.121) 2.959 ======================= Grid point 127 (65/145) ======================= q-point: (-0.12 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.802 ( -2.108 -12.489 1.255) 12.728 1.802 ( -2.108 12.489 1.255) 12.728 1.895 ( -7.889 -15.998 1.072) 17.869 1.895 ( -7.889 15.998 1.072) 17.869 2.206 ( -2.855 -0.216 2.846) 4.037 2.206 ( -2.855 0.216 2.846) 4.037 2.513 ( -6.729 -0.909 0.181) 6.792 2.513 ( -6.729 0.909 0.181) 6.792 3.092 ( 0.549 -8.547 1.129) 8.639 3.092 ( 0.549 8.547 1.129) 8.639 3.459 ( 2.958 -3.297 -1.295) 4.615 3.459 ( 2.958 3.297 -1.295) 4.615 3.606 ( -1.624 -1.363 0.106) 2.123 3.606 ( -1.624 1.363 0.106) 2.123 4.198 ( 4.197 -2.704 -2.094) 5.414 4.198 ( 4.197 2.704 -2.094) 5.414 4.562 ( -1.694 -3.515 -2.820) 4.814 4.562 ( -1.694 3.515 -2.820) 4.814 6.019 ( 0.546 -4.471 -0.531) 4.535 6.019 ( 0.546 4.471 -0.531) 4.535 6.776 ( 5.256 -3.157 -11.651) 13.166 6.776 ( 5.256 3.157 -11.651) 13.166 7.041 ( 0.959 -5.645 -2.546) 6.267 7.041 ( 0.959 5.645 -2.546) 6.267 8.294 ( -4.630 -7.145 22.658) 24.205 8.294 ( -4.630 7.145 22.658) 24.205 10.237 ( 1.653 -2.262 -1.538) 3.197 10.237 ( 1.653 2.262 -1.538) 3.197 10.731 ( 0.208 -4.259 4.665) 6.320 10.731 ( 0.208 4.259 4.665) 6.320 11.176 ( -2.259 -5.861 -2.838) 6.893 11.176 ( -2.259 5.861 -2.838) 6.893 11.947 ( 0.492 -2.583 -0.517) 2.679 11.947 ( 0.492 2.583 -0.517) 2.679 12.632 ( 1.333 -2.335 -5.076) 5.744 12.632 ( 1.333 2.335 -5.076) 5.744 14.929 ( 3.674 -0.812 1.804) 4.173 14.929 ( 3.674 0.812 1.804) 4.173 14.987 ( -1.267 -2.555 -0.493) 2.894 14.987 ( -1.267 2.555 -0.493) 2.894 22.248 ( -4.918 -3.679 4.902) 7.859 22.248 ( -4.918 3.679 4.902) 7.859 24.073 ( -1.677 -1.424 -2.033) 2.996 24.073 ( -1.677 1.424 -2.033) 2.996 26.540 ( 3.832 -11.607 -1.678) 12.338 26.540 ( 3.832 11.607 -1.678) 12.338 28.735 ( 0.150 -2.078 -0.004) 2.083 28.735 ( 0.150 2.078 -0.004) 2.083 ======================= Grid point 153 (66/145) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 145 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.705 ( -3.584 0.000 19.450) 19.777 0.939 ( 0.891 0.000 20.487) 20.507 1.535 ( 9.850 0.000 33.870) 35.273 1.863 ( 6.159 0.000 -5.795) 8.457 1.978 ( 0.953 0.000 -17.070) 17.097 2.330 ( 1.334 0.000 2.487) 2.822 2.335 ( -2.860 0.000 5.211) 5.944 2.630 ( -5.945 0.000 9.150) 10.912 2.715 ( -1.355 0.000 -5.473) 5.638 2.983 ( 6.131 0.000 4.945) 7.877 3.355 ( 0.077 0.000 -3.215) 3.216 3.385 ( 4.478 0.000 -9.747) 10.726 3.634 ( -0.329 0.000 1.551) 1.585 3.737 ( 3.054 0.000 -5.597) 6.376 4.035 ( 1.985 0.000 -3.849) 4.331 4.346 ( -9.156 0.000 -1.806) 9.333 4.526 ( -3.314 0.000 -0.815) 3.413 4.899 ( 8.072 0.000 0.511) 8.088 5.268 ( -4.766 0.000 1.498) 4.996 5.724 ( 5.586 0.000 -3.083) 6.380 6.268 ( 1.182 0.000 -8.646) 8.726 6.288 ( 0.448 0.000 5.993) 6.010 6.615 ( 0.655 0.000 -0.074) 0.659 7.036 ( 2.624 0.000 -4.945) 5.598 8.465 ( -9.232 0.000 16.722) 19.101 9.232 ( -11.809 0.000 13.129) 17.658 9.603 ( -4.325 0.000 -3.198) 5.379 10.114 ( -1.241 0.000 -2.300) 2.613 10.754 ( 6.014 0.000 8.880) 10.725 10.844 ( -8.364 0.000 1.408) 8.482 11.299 ( -2.192 0.000 -5.146) 5.593 11.453 ( 7.970 0.000 -1.374) 8.087 11.880 ( 8.327 0.000 1.692) 8.497 11.953 ( -3.003 0.000 2.927) 4.193 12.490 ( -5.376 0.000 -10.325) 11.641 12.801 ( -3.038 0.000 -14.496) 14.811 14.717 ( -0.004 0.000 0.701) 0.701 14.884 ( -0.056 0.000 -0.652) 0.655 14.965 ( 2.244 0.000 2.340) 3.242 15.492 ( 10.755 0.000 4.176) 11.538 22.643 ( 3.731 0.000 6.671) 7.644 23.104 ( -30.394 0.000 -3.138) 30.555 24.346 ( 2.357 0.000 1.497) 2.792 24.906 ( 0.011 0.000 -2.004) 2.004 25.103 ( -0.238 0.000 1.280) 1.302 25.698 ( 22.460 0.000 -1.459) 22.507 28.703 ( -1.792 0.000 -1.146) 2.127 28.835 ( 4.244 0.000 0.900) 4.338 ======================= Grid point 154 (67/145) ======================= q-point: ( 0.12 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( 19.290 0.000 17.919) 26.328 1.101 ( 2.895 0.000 15.284) 15.555 1.814 ( 7.296 0.000 0.802) 7.340 1.929 ( 5.307 0.000 -8.588) 10.095 2.068 ( 10.524 0.000 3.885) 11.218 2.321 ( -2.814 0.000 7.162) 7.695 2.444 ( 8.695 0.000 4.392) 9.741 2.561 ( -6.334 0.000 5.559) 8.428 2.625 ( -3.956 0.000 -4.881) 6.282 3.154 ( 9.210 0.000 -0.141) 9.211 3.344 ( 0.857 0.000 -2.584) 2.722 3.404 ( 4.637 0.000 -9.231) 10.330 3.628 ( -1.198 0.000 1.274) 1.749 3.666 ( -4.440 0.000 -3.473) 5.637 4.017 ( -1.687 0.000 -4.888) 5.171 4.220 ( -4.794 0.000 1.859) 5.142 4.471 ( -2.295 0.000 -0.253) 2.309 5.001 ( 3.848 0.000 -4.778) 6.135 5.222 ( -1.050 0.000 1.424) 1.770 5.811 ( 5.300 0.000 -3.045) 6.112 6.224 ( -0.208 0.000 -7.148) 7.151 6.283 ( -4.460 0.000 4.725) 6.498 6.590 ( -3.031 0.000 -0.491) 3.071 6.971 ( -4.337 0.000 -7.035) 8.264 8.378 ( -11.883 0.000 19.359) 22.716 9.132 ( -9.443 0.000 19.285) 21.473 9.531 ( -1.488 0.000 -0.702) 1.646 10.106 ( 1.230 0.000 -0.649) 1.391 10.827 ( 2.585 0.000 4.052) 4.806 10.915 ( 4.743 0.000 6.053) 7.690 11.218 ( -2.026 0.000 -5.353) 5.723 11.598 ( 8.084 0.000 -4.656) 9.329 11.924 ( -2.387 0.000 8.219) 8.559 11.991 ( 3.581 0.000 -3.311) 4.877 12.349 ( -2.547 0.000 -5.579) 6.133 12.629 ( -4.458 0.000 -14.395) 15.069 14.725 ( 0.294 0.000 0.669) 0.731 14.873 ( -0.603 0.000 -0.597) 0.849 15.009 ( 1.040 0.000 0.899) 1.375 15.607 ( 0.614 0.000 -1.511) 1.631 22.631 ( -13.726 0.000 5.583) 14.818 22.825 ( 2.015 0.000 11.742) 11.914 24.410 ( 4.002 0.000 -0.990) 4.123 24.900 ( 0.647 0.000 -1.596) 1.722 25.103 ( -0.584 0.000 1.107) 1.252 25.862 ( 1.410 0.000 -10.484) 10.579 28.672 ( -0.746 0.000 -0.320) 0.811 28.917 ( 3.473 0.000 -1.603) 3.825 ======================= Grid point 155 (68/145) ======================= q-point: ( 0.25 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 145 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( 2.639 0.000 9.259) 9.628 1.497 ( 13.335 0.000 14.639) 19.802 1.923 ( 0.869 0.000 -13.200) 13.229 1.986 ( 14.118 0.000 -9.307) 16.910 2.200 ( -0.041 0.000 -0.085) 0.095 2.335 ( -0.926 0.000 9.218) 9.264 2.497 ( -0.318 0.000 2.090) 2.114 2.523 ( -3.617 0.000 -2.185) 4.225 2.699 ( 11.436 0.000 6.754) 13.282 3.313 ( 8.649 0.000 -4.963) 9.972 3.354 ( 1.606 0.000 -1.646) 2.300 3.459 ( 7.073 0.000 -7.072) 10.002 3.583 ( -2.448 0.000 -1.479) 2.861 3.608 ( -1.622 0.000 0.927) 1.868 3.899 ( -5.806 0.000 -5.367) 7.906 4.138 ( -3.821 0.000 -3.609) 5.256 4.432 ( -3.168 0.000 2.767) 4.206 5.002 ( 0.162 0.000 -4.714) 4.717 5.240 ( 1.972 0.000 0.880) 2.160 5.870 ( 2.214 0.000 -2.324) 3.210 6.175 ( 0.202 0.000 -6.265) 6.269 6.201 ( -5.587 0.000 1.360) 5.750 6.502 ( -5.373 0.000 -0.333) 5.383 6.799 ( -7.419 0.000 -9.236) 11.846 8.285 ( -11.026 0.000 19.485) 22.388 9.118 ( -7.106 0.000 22.563) 23.656 9.540 ( 1.416 0.000 3.368) 3.654 10.142 ( 2.369 0.000 0.222) 2.380 10.928 ( 3.465 0.000 4.766) 5.892 10.970 ( -0.796 0.000 -3.560) 3.648 11.194 ( 1.931 0.000 1.109) 2.226 11.672 ( 4.269 0.000 -7.485) 8.617 11.977 ( 1.573 0.000 -5.007) 5.248 11.996 ( 0.224 0.000 6.842) 6.846 12.348 ( 2.842 0.000 4.198) 5.070 12.466 ( -2.242 0.000 -10.837) 11.066 14.737 ( 0.434 0.000 0.633) 0.767 14.855 ( -0.829 0.000 -0.517) 0.977 15.013 ( -0.481 0.000 -1.207) 1.300 15.535 ( -5.240 0.000 -3.557) 6.333 22.452 ( -8.272 0.000 3.814) 9.109 23.002 ( 4.673 0.000 16.456) 17.106 24.482 ( 6.290 0.000 -7.078) 9.469 24.909 ( 1.201 0.000 -1.110) 1.635 25.096 ( -0.844 0.000 1.021) 1.324 25.695 ( -9.109 0.000 -12.564) 15.518 28.670 ( 0.310 0.000 0.776) 0.836 28.943 ( 1.039 0.000 -2.517) 2.723 ======================= Grid point 156 (69/145) ======================= q-point: ( 0.38 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( 0.403 0.000 4.952) 4.968 1.667 ( -3.670 0.000 1.912) 4.138 1.786 ( -4.518 0.000 -14.186) 14.888 2.121 ( -0.260 0.000 -2.859) 2.871 2.193 ( 7.987 0.000 -2.499) 8.369 2.413 ( 2.513 0.000 7.853) 8.245 2.465 ( -1.829 0.000 0.188) 1.839 2.599 ( 7.919 0.000 -0.197) 7.921 2.899 ( 4.036 0.000 4.423) 5.988 3.385 ( 2.338 0.000 -0.395) 2.371 3.406 ( 5.499 0.000 -8.637) 10.239 3.487 ( -2.768 0.000 -6.833) 7.372 3.578 ( -1.897 0.000 0.182) 1.906 3.600 ( 6.700 0.000 -0.266) 6.706 3.784 ( -3.359 0.000 -3.466) 4.827 4.040 ( -0.054 0.000 -7.086) 7.086 4.379 ( -4.368 0.000 4.030) 5.943 4.960 ( -0.947 0.000 -4.922) 5.012 5.307 ( 4.662 0.000 0.028) 4.662 5.850 ( -3.576 0.000 0.585) 3.623 6.102 ( -3.900 0.000 -3.917) 5.527 6.165 ( 3.126 0.000 -5.394) 6.234 6.410 ( -3.359 0.000 0.575) 3.408 6.586 ( -6.805 0.000 -11.189) 13.096 8.228 ( -8.188 0.000 19.107) 20.787 9.150 ( -6.087 0.000 24.106) 24.863 9.620 ( 2.874 0.000 6.941) 7.512 10.188 ( 1.855 0.000 0.644) 1.963 10.876 ( -3.457 0.000 -8.693) 9.355 11.000 ( 1.107 0.000 4.202) 4.345 11.267 ( 2.910 0.000 3.498) 4.551 11.668 ( -0.355 0.000 -7.192) 7.200 11.921 ( 0.428 0.000 -10.152) 10.161 12.044 ( -1.934 0.000 6.967) 7.231 12.453 ( 4.819 0.000 1.088) 4.940 12.497 ( 8.315 0.000 4.698) 9.551 14.748 ( 0.191 0.000 0.678) 0.704 14.838 ( -0.457 0.000 -0.518) 0.691 14.976 ( -1.884 0.000 -2.912) 3.468 15.390 ( -6.273 0.000 -5.037) 8.045 22.346 ( -4.715 0.000 1.503) 4.949 23.190 ( 1.603 0.000 19.677) 19.743 24.550 ( 8.051 0.000 -14.800) 16.848 24.928 ( 1.348 0.000 -0.829) 1.582 25.086 ( -0.866 0.000 1.069) 1.375 25.400 ( -11.591 0.000 -12.058) 16.726 28.686 ( 0.354 0.000 1.274) 1.322 28.937 ( 0.363 0.000 -2.250) 2.279 ======================= Grid point 157 (70/145) ======================= q-point: (-0.50 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 145 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( -7.738 0.000 2.221) 8.050 1.411 ( -15.809 0.000 -12.607) 20.220 1.632 ( -0.709 0.000 -10.403) 10.427 2.136 ( 0.092 0.000 4.215) 4.216 2.320 ( 4.380 0.000 3.717) 5.745 2.433 ( -1.630 0.000 1.374) 2.132 2.530 ( 4.514 0.000 4.289) 6.227 2.676 ( -2.157 0.000 -3.485) 4.098 2.909 ( -3.353 0.000 2.885) 4.424 3.336 ( -4.424 0.000 -8.022) 9.162 3.414 ( -3.177 0.000 -7.179) 7.850 3.436 ( 2.749 0.000 0.972) 2.915 3.537 ( -2.016 0.000 -0.989) 2.245 3.623 ( -4.199 0.000 -6.439) 7.687 3.775 ( 6.559 0.000 3.354) 7.367 4.119 ( 10.548 0.000 -6.244) 12.257 4.341 ( -1.217 0.000 2.916) 3.160 4.913 ( 0.696 0.000 -6.649) 6.685 5.419 ( 7.139 0.000 -1.201) 7.239 5.765 ( -5.539 0.000 2.095) 5.922 5.992 ( -4.602 0.000 -3.792) 5.963 6.230 ( 7.317 0.000 -4.622) 8.654 6.393 ( 1.103 0.000 -0.234) 1.127 6.416 ( -2.233 0.000 -12.116) 12.320 8.230 ( -4.837 0.000 18.922) 19.531 9.202 ( -5.323 0.000 23.961) 24.545 9.728 ( 2.570 0.000 8.597) 8.973 10.218 ( 0.725 0.000 1.056) 1.281 10.739 ( -4.267 0.000 -9.509) 10.422 11.048 ( 1.192 0.000 5.531) 5.658 11.335 ( 2.060 0.000 2.395) 3.159 11.553 ( -4.662 0.000 -9.621) 10.691 11.869 ( 0.140 0.000 -8.167) 8.168 12.052 ( -2.034 0.000 7.194) 7.476 12.594 ( 6.457 0.000 4.916) 8.115 12.704 ( 9.787 0.000 1.696) 9.933 14.749 ( -0.601 0.000 0.715) 0.934 14.835 ( 0.596 0.000 -0.544) 0.807 14.910 ( -2.539 0.000 -3.207) 4.091 15.244 ( -5.073 0.000 -5.137) 7.219 22.298 ( -1.129 0.000 1.779) 2.107 23.323 ( -1.139 0.000 20.317) 20.349 24.574 ( 5.892 0.000 -19.285) 20.165 24.946 ( 1.005 0.000 -0.913) 1.358 25.079 ( -0.637 0.000 1.221) 1.377 25.132 ( -8.071 0.000 -10.167) 12.981 28.690 ( -1.062 0.000 1.435) 1.785 28.939 ( 1.435 0.000 -2.050) 2.503 ======================= Grid point 158 (71/145) ======================= q-point: (-0.38 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( -17.347 0.000 -9.878) 19.962 1.077 ( -13.790 0.000 3.698) 14.278 1.627 ( 4.558 0.000 -5.988) 7.525 2.134 ( -7.873 0.000 8.631) 11.682 2.346 ( -8.591 0.000 1.503) 8.722 2.411 ( -1.926 0.000 1.958) 2.746 2.486 ( -5.757 0.000 -2.801) 6.403 2.637 ( 4.644 0.000 0.799) 4.713 2.879 ( -3.087 0.000 5.270) 6.107 3.147 ( -12.932 0.000 -5.997) 14.255 3.272 ( -0.712 0.000 -7.307) 7.342 3.474 ( -1.201 0.000 -1.002) 1.564 3.513 ( 1.977 0.000 0.796) 2.131 3.546 ( -0.415 0.000 -5.507) 5.523 3.922 ( 5.610 0.000 1.353) 5.771 4.243 ( 6.503 0.000 -7.306) 9.781 4.408 ( 4.982 0.000 5.701) 7.571 4.914 ( 4.793 0.000 -10.068) 11.151 5.532 ( 5.539 0.000 -5.665) 7.923 5.682 ( -5.846 0.000 5.460) 7.999 5.916 ( 0.217 0.000 -0.793) 0.822 6.335 ( 2.853 0.000 -12.188) 12.517 6.393 ( 11.583 0.000 -3.448) 12.085 6.434 ( 3.248 0.000 -0.630) 3.309 8.292 ( -1.971 0.000 18.609) 18.713 9.263 ( -4.446 0.000 21.822) 22.270 9.813 ( 0.269 0.000 6.873) 6.878 10.237 ( 0.541 0.000 1.737) 1.820 10.593 ( -4.481 0.000 -7.686) 8.897 11.138 ( 3.233 0.000 9.659) 10.186 11.377 ( 1.131 0.000 0.706) 1.333 11.406 ( -3.352 0.000 -8.972) 9.578 11.791 ( -3.230 0.000 -8.559) 9.148 12.050 ( -2.846 0.000 5.714) 6.384 12.728 ( 3.877 0.000 2.742) 4.749 12.870 ( 8.066 0.000 -3.897) 8.958 14.737 ( -0.987 0.000 0.649) 1.181 14.850 ( -1.619 0.000 -1.482) 2.194 14.850 ( 1.217 0.000 -0.509) 1.320 15.134 ( -3.525 0.000 -2.414) 4.272 22.331 ( 2.587 0.000 3.216) 4.127 23.472 ( 3.812 0.000 22.301) 22.624 24.517 ( 0.635 0.000 -14.920) 14.933 24.933 ( -5.733 0.000 -13.334) 14.514 24.952 ( 0.375 0.000 -1.317) 1.369 25.079 ( -0.291 0.000 1.392) 1.422 28.673 ( -1.346 0.000 1.647) 2.127 28.954 ( 1.212 0.000 -2.609) 2.877 ======================= Grid point 159 (72/145) ======================= q-point: (-0.25 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 145 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.748 ( -6.089 0.000 14.771) 15.977 0.874 ( -11.624 0.000 12.348) 16.959 1.695 ( 5.842 0.000 -4.727) 7.515 1.737 ( -32.862 0.000 6.444) 33.487 2.255 ( -1.120 0.000 -1.265) 1.690 2.385 ( -2.361 0.000 2.761) 3.633 2.432 ( -4.088 0.000 0.615) 4.134 2.714 ( 3.684 0.000 -2.204) 4.293 2.844 ( -10.132 0.000 0.323) 10.137 2.864 ( -6.250 0.000 6.448) 8.980 3.285 ( 6.232 0.000 -7.662) 9.876 3.427 ( -1.539 0.000 -2.892) 3.276 3.523 ( 2.122 0.000 -3.740) 4.301 3.571 ( 2.168 0.000 2.149) 3.053 3.992 ( 2.107 0.000 -0.979) 2.323 4.327 ( 7.570 0.000 -6.374) 9.896 4.558 ( 4.556 0.000 9.722) 10.737 4.904 ( 1.027 0.000 -14.587) 14.623 5.514 ( -4.514 0.000 -2.914) 5.372 5.623 ( -0.760 0.000 0.180) 0.781 6.017 ( 7.464 0.000 3.957) 8.448 6.317 ( 3.681 0.000 -12.443) 12.976 6.502 ( 3.922 0.000 -0.185) 3.927 6.645 ( 15.303 0.000 -1.448) 15.371 8.394 ( -0.428 0.000 17.375) 17.381 9.321 ( -3.350 0.000 17.107) 17.432 9.812 ( -3.473 0.000 1.840) 3.930 10.249 ( -0.707 0.000 -1.546) 1.700 10.504 ( -0.829 0.000 1.018) 1.313 11.299 ( 3.300 0.000 9.166) 9.742 11.332 ( 2.511 0.000 -2.650) 3.650 11.387 ( 0.056 0.000 -1.256) 1.257 11.601 ( -9.224 0.000 -11.528) 14.764 12.024 ( -2.997 0.000 3.884) 4.905 12.754 ( -1.010 0.000 -3.505) 3.647 12.955 ( 4.961 0.000 -9.071) 10.339 14.724 ( -0.799 0.000 0.637) 1.022 14.841 ( 0.892 0.000 1.664) 1.888 14.870 ( 1.111 0.000 -0.547) 1.238 15.092 ( -0.812 0.000 4.587) 4.658 22.423 ( 4.099 0.000 3.642) 5.483 23.822 ( 16.535 0.000 19.157) 25.306 24.399 ( -4.078 0.000 -16.483) 16.980 24.726 ( -6.199 0.000 -1.615) 6.406 24.943 ( -0.179 0.000 -1.807) 1.816 25.086 ( -0.031 0.000 1.484) 1.484 28.673 ( 0.334 0.000 1.804) 1.835 28.928 ( -2.142 0.000 -3.690) 4.266 ======================= Grid point 160 (73/145) ======================= q-point: (-0.12 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.828 ( -4.711 0.000 20.460) 20.995 0.865 ( -8.595 0.000 20.586) 22.308 1.243 ( -15.224 0.000 24.207) 28.597 1.779 ( 6.171 0.000 -4.774) 7.802 2.152 ( -5.895 0.000 -11.411) 12.843 2.342 ( -3.510 0.000 0.647) 3.569 2.358 ( -2.690 0.000 3.833) 4.683 2.685 ( -6.982 0.000 8.115) 10.705 2.744 ( 1.680 0.000 -4.346) 4.660 2.877 ( 0.251 0.000 7.683) 7.687 3.353 ( 5.860 0.000 -9.618) 11.262 3.384 ( -0.748 0.000 -3.367) 3.449 3.616 ( 0.973 0.000 1.954) 2.183 3.617 ( 9.136 0.000 -2.029) 9.359 4.016 ( 2.006 0.000 -2.560) 3.252 4.424 ( 4.959 0.000 -5.142) 7.144 4.688 ( -2.646 0.000 -0.476) 2.688 4.750 ( -1.483 0.000 -2.051) 2.532 5.380 ( -7.474 0.000 1.042) 7.546 5.650 ( 4.136 0.000 -3.409) 5.360 6.187 ( 5.674 0.000 5.849) 8.149 6.298 ( 2.553 0.000 -11.047) 11.338 6.574 ( 3.284 0.000 0.086) 3.285 6.913 ( 12.294 0.000 -2.218) 12.493 8.479 ( -3.074 0.000 15.340) 15.645 9.338 ( -5.745 0.000 10.631) 12.084 9.720 ( -5.313 0.000 -2.337) 5.805 10.181 ( -2.964 0.000 -4.291) 5.215 10.587 ( 4.662 0.000 8.563) 9.750 11.155 ( -19.195 0.000 -6.945) 20.413 11.341 ( 4.412 0.000 -1.993) 4.842 11.361 ( -1.174 0.000 -3.332) 3.532 11.641 ( 12.384 0.000 5.743) 13.650 11.991 ( -3.039 0.000 3.452) 4.599 12.656 ( -4.448 0.000 -8.724) 9.792 12.928 ( 0.032 0.000 -13.035) 13.035 14.717 ( -0.402 0.000 0.678) 0.788 14.883 ( 0.596 0.000 -0.623) 0.862 14.898 ( 2.757 0.000 2.685) 3.849 15.214 ( 8.648 0.000 11.518) 14.403 22.529 ( 4.049 0.000 4.648) 6.164 23.799 ( -24.781 0.000 -24.355) 34.746 24.289 ( 3.680 0.000 0.168) 3.684 24.924 ( -0.331 0.000 -2.092) 2.118 25.042 ( 29.882 0.000 23.943) 38.291 25.096 ( -0.009 0.000 1.437) 1.438 28.706 ( 1.625 0.000 1.416) 2.155 28.834 ( -4.062 0.000 -2.342) 4.689 ======================= Grid point 161 (74/145) ======================= q-point: ( 0.00 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.812 ( -1.152 10.498 16.219) 19.355 1.101 ( 4.563 10.198 16.388) 19.834 1.766 ( 4.399 21.759 25.488) 33.800 1.918 ( 2.797 1.966 -10.199) 10.757 2.016 ( 0.507 3.153 -6.098) 6.884 2.302 ( 2.134 1.853 1.858) 3.382 2.395 ( -1.022 3.595 4.008) 5.481 2.652 ( -3.612 0.990 6.592) 7.581 2.773 ( -3.354 4.025 -0.521) 5.265 2.963 ( 6.190 -1.007 4.859) 7.934 3.321 ( 3.730 -3.156 -9.270) 10.479 3.453 ( 0.570 7.364 -3.823) 8.317 3.618 ( 1.399 -2.366 0.464) 2.787 3.778 ( 0.253 2.250 -3.751) 4.381 4.017 ( 2.510 -0.934 -6.094) 6.657 4.297 ( -8.869 -4.337 -1.022) 9.925 4.522 ( -2.648 -0.275 -0.519) 2.712 4.799 ( 7.534 -6.685 1.925) 10.255 5.422 ( -2.715 11.170 -2.164) 11.697 5.875 ( 4.280 14.085 -2.436) 14.921 6.241 ( 0.911 -2.533 0.228) 2.702 6.297 ( 0.424 1.145 -4.407) 4.573 6.679 ( 1.066 5.727 0.050) 5.826 6.970 ( 2.328 -5.609 -5.543) 8.223 8.471 ( -8.084 1.318 19.152) 20.830 9.125 ( -8.271 -6.369 16.532) 19.552 9.762 ( -3.887 10.986 -7.187) 13.691 10.227 ( -2.069 9.209 -0.373) 9.446 10.756 ( -0.793 -1.869 4.266) 4.725 10.835 ( 0.187 1.274 5.449) 5.599 11.355 ( -2.604 2.117 -1.537) 3.691 11.445 ( 6.805 0.969 -5.191) 8.613 11.823 ( 7.685 -4.707 0.573) 9.030 11.874 ( -3.753 -6.126 4.974) 8.738 12.451 ( -5.343 -3.384 -11.024) 12.710 12.721 ( -3.015 -7.106 -14.167) 16.133 14.732 ( -0.036 1.290 -0.519) 1.391 14.888 ( -0.615 0.632 -0.472) 1.000 15.010 ( 2.187 3.570 2.487) 4.870 15.428 ( 9.065 -5.108 6.115) 12.069 22.588 ( 4.064 -5.117 6.591) 9.281 22.865 ( -22.150 -16.753 3.480) 27.989 24.309 ( 1.488 -3.174 2.004) 4.038 24.625 ( 6.656 -16.966 2.389) 18.381 25.350 ( -1.211 19.789 0.617) 19.836 26.066 ( 10.657 22.573 -11.305) 27.403 28.699 ( -1.903 -0.244 -1.097) 2.210 28.823 ( 3.432 -1.117 0.870) 3.712 ======================= Grid point 162 (75/145) ======================= q-point: ( 0.12 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( 16.914 9.154 14.250) 23.936 1.308 ( 8.115 12.030 11.873) 18.750 1.876 ( 5.419 5.697 -6.775) 10.379 1.998 ( 5.615 8.747 -2.064) 10.597 2.089 ( 4.197 -1.833 6.658) 8.081 2.380 ( -1.602 7.848 4.216) 9.051 2.447 ( 6.622 1.345 4.366) 8.045 2.610 ( -2.281 4.428 2.015) 5.373 2.703 ( -4.366 5.698 4.290) 8.363 3.134 ( 9.194 -1.898 -0.287) 9.392 3.331 ( 3.718 -2.414 -8.546) 9.627 3.446 ( 1.549 5.885 -3.627) 7.084 3.629 ( -0.905 -1.937 0.206) 2.148 3.685 ( -4.946 1.967 -1.838) 5.632 3.994 ( -1.027 -1.695 -5.931) 6.254 4.183 ( -4.052 -3.271 1.002) 5.303 4.469 ( -2.731 0.134 -0.056) 2.734 4.921 ( 5.062 -5.721 -3.233) 8.295 5.376 ( -0.822 11.667 -1.296) 11.768 5.941 ( 3.894 12.019 -2.492) 12.877 6.224 ( -0.323 -0.236 -4.930) 4.947 6.261 ( -3.417 -1.372 1.283) 3.899 6.664 ( -2.587 6.702 -0.531) 7.203 6.911 ( -3.221 -5.272 -7.205) 9.491 8.414 ( -11.251 3.495 19.993) 23.206 9.086 ( -7.967 -3.533 19.163) 21.051 9.660 ( -2.425 11.120 -2.734) 11.705 10.201 ( -0.522 8.000 0.285) 8.022 10.788 ( 3.677 -2.795 4.523) 6.464 10.950 ( 3.005 2.376 5.745) 6.905 11.282 ( -1.786 5.486 -4.169) 7.118 11.565 ( 7.689 -3.127 -5.993) 10.238 11.853 ( -0.667 -6.189 5.865) 8.553 11.935 ( 3.135 -4.702 0.580) 5.681 12.306 ( -2.504 -3.842 -6.499) 7.954 12.547 ( -4.874 -7.191 -14.179) 16.629 14.730 ( 0.097 0.545 -0.057) 0.557 14.869 ( -1.121 0.024 -0.127) 1.129 15.050 ( 0.592 3.233 1.096) 3.464 15.549 ( 1.195 -4.933 0.158) 5.078 22.562 ( -12.236 -6.208 5.822) 14.905 22.736 ( 4.761 -6.894 10.381) 13.340 24.358 ( 2.906 -4.096 -0.192) 5.026 24.739 ( 5.110 -11.713 -1.259) 12.841 25.320 ( -2.114 17.996 1.012) 18.148 26.064 ( -2.243 14.852 -11.362) 18.833 28.666 ( -0.825 -0.406 -0.193) 0.940 28.890 ( 2.780 -2.311 -1.025) 3.758 ======================= Grid point 163 (76/145) ======================= q-point: ( 0.25 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( 6.609 9.522 4.615) 12.476 1.622 ( 10.073 12.927 14.551) 21.916 2.001 ( 11.231 4.205 -8.196) 14.525 2.028 ( 2.789 6.923 -9.184) 11.835 2.224 ( 6.231 -4.547 5.187) 9.296 2.324 ( -5.487 7.267 -0.305) 9.111 2.478 ( -1.658 0.195 0.184) 1.680 2.621 ( -1.619 6.900 2.867) 7.645 2.791 ( 8.411 7.251 8.023) 13.700 3.273 ( 5.283 -3.013 -2.694) 6.652 3.353 ( 4.069 -1.085 -5.814) 7.179 3.485 ( 5.602 1.263 -5.808) 8.167 3.588 ( -0.355 3.050 -1.174) 3.287 3.631 ( -2.714 -0.393 2.312) 3.587 3.901 ( -3.212 0.988 -6.925) 7.698 4.104 ( -3.822 -3.200 -3.832) 6.287 4.419 ( -3.483 -0.628 2.361) 4.255 4.951 ( 1.097 -4.249 -4.356) 6.183 5.378 ( 1.654 11.460 -0.186) 11.580 5.968 ( -0.235 8.050 -1.703) 8.231 6.180 ( -0.037 0.686 -6.489) 6.525 6.202 ( -2.311 1.378 0.642) 2.766 6.578 ( -5.214 6.686 -1.283) 8.576 6.770 ( -5.805 -2.242 -7.973) 10.114 8.322 ( -11.487 3.533 19.261) 22.703 9.078 ( -7.107 -3.449 21.282) 22.701 9.644 ( 0.787 9.392 2.322) 9.707 10.209 ( 0.705 5.754 1.131) 5.906 10.919 ( 4.939 -0.951 5.752) 7.641 10.963 ( -2.955 -0.762 -2.439) 3.906 11.263 ( 1.595 6.121 -1.099) 6.420 11.632 ( 3.934 -3.732 -5.871) 7.993 11.933 ( 4.063 -4.020 -2.357) 6.182 11.955 ( -0.099 -3.717 3.679) 5.231 12.304 ( 3.312 -3.888 3.795) 6.363 12.371 ( -3.214 -8.308 -10.859) 14.046 14.735 ( 0.417 -0.046 0.192) 0.461 14.845 ( -1.362 -0.477 0.040) 1.444 15.046 ( -1.070 2.519 -0.909) 2.884 15.501 ( -4.232 -3.074 -3.026) 6.043 22.421 ( -6.654 -2.664 3.695) 8.064 22.919 ( 5.012 -7.149 14.771) 17.158 24.408 ( 4.055 -5.243 -5.634) 8.699 24.813 ( 4.274 -7.765 -3.183) 9.418 25.295 ( -0.988 16.618 1.399) 16.706 25.863 ( -9.944 13.383 -10.844) 19.889 28.664 ( 0.355 -0.446 0.756) 0.947 28.912 ( 0.769 -2.707 -1.899) 3.395 ======================= Grid point 164 (77/145) ======================= q-point: ( 0.38 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( 2.205 9.439 -0.647) 9.714 1.724 ( -5.849 11.927 1.747) 13.398 1.955 ( -2.405 10.872 -4.433) 11.984 2.178 ( -0.876 1.509 0.973) 1.998 2.208 ( 5.652 6.410 -9.051) 12.448 2.401 ( 6.704 -0.344 6.652) 9.450 2.471 ( -0.151 1.222 1.550) 1.980 2.662 ( 4.774 5.315 1.356) 7.272 2.948 ( 2.340 3.935 3.193) 5.581 3.314 ( 1.545 -3.535 -1.709) 4.219 3.410 ( 4.307 -2.032 -4.433) 6.506 3.481 ( -0.402 0.118 -7.396) 7.408 3.572 ( -3.908 -1.259 0.253) 4.114 3.688 ( 8.354 5.630 0.369) 10.081 3.814 ( -2.017 4.239 -5.972) 7.596 4.002 ( -0.477 -3.406 -7.585) 8.328 4.362 ( -4.222 -1.183 3.387) 5.541 4.920 ( -0.791 -3.656 -4.756) 6.051 5.435 ( 4.286 11.093 -0.017) 11.892 5.906 ( -4.939 3.686 0.081) 6.164 6.157 ( 1.134 4.163 -4.413) 6.172 6.182 ( 1.311 4.114 -4.249) 6.057 6.469 ( -4.094 4.222 -2.942) 6.576 6.603 ( -5.375 2.819 -7.357) 9.538 8.250 ( -8.882 2.262 18.588) 20.725 9.094 ( -6.559 -4.807 22.263) 23.702 9.713 ( 2.968 8.228 6.454) 10.870 10.235 ( 0.769 4.078 1.786) 4.518 10.845 ( -5.131 -2.402 -6.130) 8.347 11.028 ( 2.600 1.330 4.410) 5.289 11.295 ( 1.873 2.909 -1.235) 3.673 11.640 ( -0.297 -2.539 -4.640) 5.298 11.914 ( 1.603 -1.556 -7.590) 7.912 11.982 ( -3.064 -4.808 2.906) 6.399 12.355 ( 5.799 -8.953 0.261) 10.670 12.461 ( 8.197 -3.019 6.449) 10.858 14.748 ( 0.600 -0.069 0.440) 0.747 14.820 ( -1.103 -1.003 0.021) 1.491 15.000 ( -2.405 1.791 -2.557) 3.941 15.377 ( -5.346 -1.377 -4.954) 7.417 22.338 ( -3.993 -0.580 1.868) 4.447 23.103 ( 2.039 -7.701 18.132) 19.804 24.425 ( 3.434 -7.479 -11.620) 14.239 24.857 ( 2.900 -6.588 -5.310) 8.944 25.310 ( 1.947 17.403 0.800) 17.530 25.581 ( -11.264 15.011 -8.706) 20.688 28.682 ( 0.501 -0.375 1.139) 1.300 28.905 ( 0.135 -2.783 -1.755) 3.293 ======================= Grid point 165 (78/145) ======================= q-point: (-0.50 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( -10.243 2.958 -10.832) 15.199 1.571 ( -7.030 21.469 1.214) 22.623 1.819 ( -5.941 13.918 -4.669) 15.837 2.174 ( 1.234 3.244 2.384) 4.211 2.302 ( 3.506 0.261 -0.172) 3.520 2.463 ( -0.510 1.264 1.826) 2.279 2.562 ( 4.692 4.001 5.359) 8.169 2.728 ( -2.172 4.224 -0.606) 4.788 2.926 ( -3.456 1.602 0.716) 3.876 3.289 ( -2.578 -3.729 -6.482) 7.910 3.351 ( -5.542 -2.124 -2.594) 6.477 3.475 ( -5.397 -2.376 0.980) 5.977 3.532 ( 7.006 2.070 -5.220) 8.979 3.705 ( -4.400 5.323 -4.319) 8.145 3.828 ( 5.992 5.612 -0.238) 8.213 4.067 ( 10.236 -4.682 -6.641) 13.069 4.324 ( -1.144 -1.196 2.471) 2.974 4.874 ( 0.553 -3.499 -6.352) 7.273 5.539 ( 6.609 10.537 -0.865) 12.468 5.811 ( -4.686 3.429 0.835) 5.867 6.105 ( -3.673 10.849 -2.357) 11.694 6.236 ( 7.202 0.563 -5.012) 8.793 6.384 ( -0.668 0.692 -9.253) 9.302 6.509 ( -0.332 7.425 -2.682) 7.902 8.237 ( -5.358 0.933 18.408) 19.194 9.121 ( -6.062 -6.633 21.880) 23.653 9.830 ( 3.612 8.355 8.547) 12.486 10.256 ( 0.119 3.233 1.904) 3.754 10.705 ( -4.822 -2.614 -6.331) 8.377 11.090 ( 1.266 2.363 4.708) 5.418 11.308 ( 0.876 -1.458 -3.109) 3.544 11.548 ( -4.067 -0.475 -7.577) 8.613 11.888 ( -0.289 1.404 -5.212) 5.406 11.959 ( -1.378 -8.337 5.037) 9.837 12.514 ( 7.517 -7.382 4.560) 11.480 12.667 ( 9.024 -2.979 2.510) 9.829 14.758 ( -0.204 0.783 0.733) 1.092 14.811 ( 0.395 -1.684 -0.129) 1.734 14.928 ( -2.823 1.331 -2.926) 4.278 15.247 ( -4.292 -0.008 -5.222) 6.760 22.298 ( -1.395 0.201 2.294) 2.692 23.232 ( -1.418 -8.177 19.378) 21.080 24.379 ( 0.887 -10.287 -14.218) 17.571 24.835 ( -0.960 -8.664 -8.000) 11.832 25.357 ( -6.147 16.104 -2.982) 17.493 25.385 ( 5.208 22.719 -2.617) 23.454 28.687 ( -0.964 -0.226 1.246) 1.592 28.906 ( 1.236 -2.909 -1.605) 3.544 ======================= Grid point 166 (79/145) ======================= q-point: (-0.38 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( -14.507 8.843 -8.160) 18.848 1.408 ( -11.043 24.447 3.482) 27.050 1.762 ( 1.657 10.750 -1.924) 11.046 2.176 ( -6.556 4.579 4.867) 9.361 2.338 ( -0.844 -0.834 3.067) 3.288 2.427 ( -6.212 3.312 -3.151) 7.713 2.538 ( -7.216 3.037 0.518) 7.846 2.691 ( 3.642 4.583 2.837) 6.506 2.893 ( -3.066 1.590 4.820) 5.930 3.106 ( -13.529 -3.752 -5.335) 15.019 3.218 ( -0.342 -3.116 -6.589) 7.297 3.446 ( 0.230 -1.870 1.544) 2.436 3.605 ( 0.434 4.334 -6.356) 7.705 3.616 ( 0.833 6.804 -1.086) 6.940 3.928 ( 4.153 1.128 -0.374) 4.320 4.194 ( 6.914 -4.656 -6.631) 10.651 4.379 ( 4.398 -1.944 4.730) 6.745 4.868 ( 3.697 -3.978 -9.195) 10.679 5.635 ( 3.153 8.491 -5.186) 10.437 5.770 ( -0.116 6.868 4.332) 8.121 6.022 ( -2.636 10.552 -0.811) 10.906 6.330 ( 3.059 0.285 -11.060) 11.479 6.386 ( 10.539 0.635 -4.076) 11.318 6.533 ( 3.698 7.598 -1.077) 8.519 8.287 ( -2.491 -0.015 18.447) 18.615 9.151 ( -5.646 -8.411 20.158) 22.560 9.942 ( 1.954 9.251 6.212) 11.314 10.269 ( 0.294 2.671 1.869) 3.273 10.584 ( -3.889 -0.476 -3.693) 5.384 11.161 ( 2.009 0.438 7.762) 8.030 11.283 ( -1.070 -6.353 -4.241) 7.713 11.428 ( -2.168 2.523 -7.390) 8.104 11.832 ( -3.046 1.472 -3.399) 4.796 11.965 ( -1.415 -6.574 3.343) 7.509 12.669 ( 5.210 -5.799 2.643) 8.232 12.814 ( 6.522 -4.392 -3.722) 8.700 14.750 ( -0.713 1.165 0.291) 1.397 14.834 ( 1.725 -0.951 0.390) 2.008 14.868 ( -1.476 1.280 -1.302) 2.348 15.148 ( -3.118 0.825 -2.989) 4.397 22.318 ( 1.352 -0.787 3.618) 3.942 23.336 ( -0.936 -11.814 20.669) 23.825 24.282 ( -1.416 -11.454 -12.012) 16.658 24.710 ( -5.674 -10.838 -8.893) 15.125 25.274 ( -1.316 19.617 0.374) 19.665 25.496 ( 8.418 26.872 -6.164) 28.826 28.669 ( -1.428 -0.302 1.448) 2.056 28.922 ( 1.154 -2.832 -2.032) 3.672 ======================= Grid point 167 (80/145) ======================= q-point: (-0.25 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.853 ( -7.419 12.373 8.191) 16.590 1.242 ( -11.072 22.558 10.179) 27.112 1.813 ( 4.096 9.153 -1.567) 10.150 1.844 ( -26.242 12.108 5.774) 29.472 2.302 ( -1.232 4.296 -2.143) 4.957 2.368 ( -0.772 -0.900 2.184) 2.485 2.455 ( -6.109 1.584 0.024) 6.311 2.763 ( 1.105 2.424 0.734) 2.763 2.804 ( -9.613 -2.719 -0.845) 10.026 2.875 ( -4.754 1.229 7.088) 8.623 3.237 ( 5.707 -2.737 -6.194) 8.856 3.474 ( 2.073 1.864 -0.824) 2.908 3.537 ( -0.527 2.936 -5.162) 5.962 3.659 ( 2.201 6.158 0.091) 6.540 3.973 ( 1.878 -1.177 -1.908) 2.925 4.287 ( 7.611 -3.816 -5.547) 10.162 4.513 ( 4.148 -3.487 8.144) 9.782 4.841 ( -0.570 -4.925 -11.919) 12.909 5.595 ( -2.641 6.714 -3.941) 8.221 5.803 ( 0.443 15.219 0.106) 15.226 6.050 ( 4.914 3.285 2.354) 6.362 6.324 ( 3.963 1.354 -11.569) 12.304 6.548 ( 6.138 2.711 -1.214) 6.819 6.662 ( 11.453 2.916 -1.348) 11.895 8.378 ( -1.315 -0.752 18.260) 18.323 9.171 ( -5.595 -9.820 17.554) 20.877 9.957 ( -1.943 8.511 -1.602) 8.876 10.296 ( 0.536 4.169 0.919) 4.302 10.535 ( -0.032 2.884 3.317) 4.396 11.195 ( -5.623 -10.257 -2.150) 11.893 11.260 ( 2.674 -4.869 3.207) 6.414 11.412 ( 4.467 6.516 -0.283) 7.905 11.708 ( -6.342 4.143 -6.014) 9.673 11.949 ( -2.085 -5.471 2.242) 6.269 12.717 ( -0.332 -3.501 -3.564) 5.008 12.872 ( 4.021 -7.037 -8.888) 12.029 14.741 ( -0.103 1.515 -0.632) 1.644 14.867 ( 1.425 2.036 2.141) 3.280 14.876 ( 1.955 0.455 0.260) 2.024 15.098 ( -1.319 0.473 3.159) 3.456 22.388 ( 2.855 -2.868 4.072) 5.741 23.460 ( -2.333 -25.811 16.906) 30.943 24.192 ( 0.372 -7.356 -6.807) 10.029 24.534 ( -6.576 -10.787 -4.034) 13.262 25.291 ( 1.765 20.776 1.992) 20.946 25.628 ( 11.201 34.134 -8.772) 36.980 28.666 ( 0.248 -0.512 1.741) 1.832 28.902 ( -1.780 -2.195 -2.866) 4.025 ======================= Grid point 168 (81/145) ======================= q-point: (-0.12 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.912 ( 1.629 10.124 19.146) 21.719 1.009 ( -21.899 8.899 11.091) 26.111 1.574 ( -5.724 27.510 20.218) 34.617 1.882 ( 4.318 7.240 -2.719) 8.857 2.190 ( -8.244 3.640 -10.405) 13.765 2.307 ( -3.225 -1.445 0.179) 3.538 2.386 ( -0.579 2.099 2.802) 3.548 2.673 ( -4.684 -2.365 7.637) 9.266 2.816 ( 1.449 5.348 -3.413) 6.508 2.859 ( -1.674 -0.920 9.985) 10.166 3.300 ( 4.779 -2.967 -7.657) 9.501 3.472 ( 0.223 7.012 -4.004) 8.078 3.568 ( 4.445 -1.933 -2.123) 5.292 3.721 ( 4.439 4.839 0.294) 6.573 3.996 ( 2.746 -1.030 -3.937) 4.909 4.387 ( 4.573 -3.784 -4.798) 7.632 4.639 ( 1.777 -7.172 5.971) 9.499 4.671 ( -6.805 -1.981 -5.826) 9.174 5.505 ( -3.988 9.148 -2.570) 10.305 5.821 ( 2.760 15.720 -2.347) 16.132 6.174 ( 4.493 -1.225 3.497) 5.824 6.316 ( 2.691 1.957 -10.026) 10.564 6.632 ( 3.558 4.859 -0.059) 6.023 6.876 ( 10.162 -2.810 -2.814) 10.912 8.459 ( -3.560 -0.763 17.938) 18.304 9.165 ( -6.723 -9.711 15.513) 19.498 9.876 ( -2.847 8.469 -6.921) 11.302 10.275 ( -2.148 7.820 -0.837) 8.153 10.631 ( 4.824 3.491 8.002) 9.975 11.006 ( -11.746 -9.092 -3.146) 15.183 11.319 ( 3.502 -2.904 -0.027) 4.550 11.482 ( -2.967 6.620 -3.888) 8.230 11.642 ( 7.424 0.985 1.849) 7.714 11.916 ( -2.986 -5.768 2.694) 7.032 12.621 ( -4.417 -2.993 -9.332) 10.750 12.841 ( 0.146 -7.582 -12.369) 14.508 14.736 ( 0.133 1.685 -1.000) 1.964 14.897 ( 0.449 1.155 -0.890) 1.526 14.939 ( 3.219 3.250 2.881) 5.406 15.190 ( 6.665 -1.991 10.790) 12.838 22.478 ( 3.480 -4.483 4.810) 7.439 23.301 ( -20.196 -30.692 0.549) 36.745 24.254 ( 4.744 -3.072 0.723) 5.698 24.481 ( 2.282 -15.740 5.603) 16.862 25.342 ( 1.439 20.452 1.533) 20.560 25.840 ( 16.977 35.250 -9.037) 40.155 28.700 ( 1.798 -0.453 1.393) 2.319 28.825 ( -3.465 -0.859 -1.968) 4.076 ======================= Grid point 169 (82/145) ======================= q-point: ( 0.00 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.104 ( 1.941 16.178 10.785) 19.540 1.324 ( 3.937 11.785 9.457) 15.615 1.939 ( -1.451 -0.147 -11.604) 11.695 2.002 ( -2.328 -2.539 2.499) 4.255 2.247 ( 2.363 14.983 10.667) 18.543 2.406 ( 1.081 7.754 3.176) 8.449 2.550 ( 0.651 11.463 9.334) 14.796 2.622 ( 3.991 -3.585 3.950) 6.662 2.850 ( -4.001 3.706 9.091) 10.601 2.964 ( 3.960 1.320 0.365) 4.190 3.307 ( 2.543 2.170 -8.300) 8.948 3.543 ( 1.620 -4.091 -1.433) 4.627 3.603 ( -0.021 4.912 -1.990) 5.299 3.761 ( -0.905 -3.751 -0.434) 3.883 4.021 ( 1.074 0.830 -9.425) 9.522 4.189 ( -5.654 -4.991 -1.899) 7.777 4.523 ( -0.870 0.564 0.013) 1.037 4.681 ( 6.343 -4.202 0.909) 7.663 5.651 ( -0.707 10.026 -3.858) 10.766 6.159 ( 0.502 -2.682 -0.301) 2.745 6.269 ( 2.214 16.532 -2.429) 16.855 6.360 ( 0.180 7.907 -6.356) 10.146 6.781 ( 4.059 -2.377 -3.127) 5.648 6.887 ( -0.786 3.990 -3.311) 5.244 8.542 ( -6.563 5.388 21.650) 23.256 9.020 ( -6.295 -3.816 18.172) 19.606 9.989 ( 0.317 10.217 -5.647) 11.678 10.422 ( -1.862 7.446 3.945) 8.630 10.691 ( -3.510 -2.305 -0.011) 4.199 10.890 ( 4.040 2.796 8.183) 9.545 11.304 ( 3.236 -4.794 5.189) 7.770 11.450 ( 0.477 -5.845 -8.343) 10.198 11.735 ( 2.881 -2.697 -2.854) 4.870 11.801 ( -2.609 1.869 2.891) 4.320 12.360 ( -5.433 -5.145 -13.631) 15.550 12.545 ( -2.761 -8.431 -13.327) 16.010 14.771 ( -0.351 2.423 -1.586) 2.917 14.907 ( -1.193 0.933 -0.451) 1.580 15.085 ( 1.885 3.086 3.265) 4.872 15.317 ( 6.408 -5.041 7.044) 10.774 22.442 ( 1.876 -7.821 6.116) 10.104 22.574 ( -11.142 -10.423 5.725) 16.296 24.225 ( 0.472 -4.511 2.716) 5.287 24.342 ( 8.462 -9.722 1.992) 13.042 25.800 ( -1.804 21.464 0.367) 21.543 26.430 ( 3.448 11.555 -11.884) 16.930 28.698 ( -1.712 0.202 -1.010) 1.998 28.793 ( 1.978 -1.619 0.608) 2.627 ======================= Grid point 170 (83/145) ======================= q-point: ( 0.12 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( 13.272 14.402 9.087) 21.590 1.493 ( 12.142 7.221 7.079) 15.801 1.941 ( 8.736 1.389 -11.287) 14.341 1.992 ( -0.786 -5.245 4.608) 7.026 2.329 ( 1.460 13.855 4.334) 14.590 2.427 ( -1.912 2.774 3.175) 4.629 2.681 ( 1.000 13.607 2.043) 13.796 2.702 ( 5.152 3.666 5.185) 8.177 2.837 ( -2.328 7.914 11.901) 14.480 3.072 ( 6.467 -3.765 -0.256) 7.487 3.303 ( 3.890 0.237 -9.736) 10.487 3.528 ( -2.395 -2.154 -2.535) 4.099 3.597 ( -0.626 0.367 0.501) 0.882 3.703 ( -2.505 0.846 0.091) 2.646 3.968 ( 0.387 -0.518 -6.546) 6.578 4.100 ( -2.989 -4.046 -2.599) 5.662 4.492 ( -2.352 2.146 -0.312) 3.199 4.800 ( 5.536 -5.414 -2.744) 8.215 5.625 ( 0.477 10.953 -2.936) 11.350 6.133 ( -2.934 -2.283 -0.504) 3.752 6.264 ( 0.064 4.385 -6.706) 8.013 6.354 ( 2.227 17.725 -0.853) 17.885 6.772 ( -2.173 -7.082 -7.868) 10.806 6.849 ( -0.664 9.796 0.222) 9.821 8.520 ( -10.537 6.382 20.699) 24.088 9.011 ( -7.452 -3.446 18.746) 20.465 9.939 ( -1.876 14.372 -3.432) 14.895 10.388 ( -3.030 8.952 1.675) 9.598 10.724 ( 4.670 -3.310 5.323) 7.816 10.985 ( -0.355 0.436 4.795) 4.828 11.382 ( 1.263 0.861 0.306) 1.559 11.459 ( 6.333 -6.190 -4.531) 9.947 11.727 ( 1.441 -4.543 -2.881) 5.569 11.840 ( 1.491 -2.141 4.650) 5.332 12.196 ( -2.627 -6.717 -8.461) 11.118 12.375 ( -5.099 -7.922 -13.994) 16.870 14.753 ( -0.567 1.716 -0.748) 1.956 14.877 ( -1.840 0.521 0.328) 1.940 15.117 ( -0.295 2.863 1.780) 3.384 15.430 ( 1.697 -5.974 2.000) 6.525 22.416 ( -5.933 -6.517 5.405) 10.338 22.582 ( 4.229 -7.571 7.942) 11.759 24.269 ( 2.634 -3.819 0.398) 4.657 24.509 ( 8.226 -9.521 -1.050) 12.626 25.745 ( -3.793 20.796 1.037) 21.164 26.344 ( -4.350 10.352 -10.003) 15.038 28.663 ( -1.015 0.363 -0.144) 1.087 28.833 ( 1.574 -2.873 -0.342) 3.294 ======================= Grid point 171 (84/145) ======================= q-point: ( 0.25 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.571 ( 6.145 7.080 0.684) 9.400 1.887 ( 10.144 9.901 10.278) 17.509 2.008 ( 8.881 -1.687 -1.020) 9.097 2.132 ( 12.018 -1.704 -1.191) 12.196 2.333 ( -3.717 16.040 -1.395) 16.524 2.429 ( 2.318 2.272 1.299) 3.496 2.612 ( -4.540 11.382 -2.067) 12.427 2.779 ( -1.966 7.508 6.406) 10.063 2.958 ( 5.001 7.812 6.569) 11.366 3.181 ( 5.031 -6.030 -2.098) 8.129 3.329 ( 4.283 -0.535 -6.371) 7.695 3.470 ( 1.065 -1.705 -5.337) 5.703 3.553 ( -4.600 -5.898 2.272) 7.818 3.722 ( 3.293 6.562 -0.287) 7.347 3.950 ( 1.698 2.919 -5.683) 6.610 4.014 ( -2.778 -4.402 -6.335) 8.199 4.432 ( -3.946 2.210 0.754) 4.585 4.843 ( 1.478 -5.678 -3.996) 7.099 5.636 ( 2.273 11.518 -1.237) 11.805 6.048 ( -4.770 -1.274 -1.463) 5.150 6.218 ( 0.283 3.023 -6.164) 6.871 6.404 ( 2.853 17.943 -0.548) 18.176 6.643 ( -4.610 -3.305 -8.438) 10.168 6.827 ( -2.184 9.855 -0.055) 10.095 8.427 ( -12.283 6.302 18.798) 23.323 8.990 ( -7.934 -4.691 19.385) 21.465 9.900 ( -0.497 14.200 0.209) 14.210 10.352 ( -2.110 7.298 2.592) 8.027 10.881 ( 5.566 -2.846 5.726) 8.478 10.930 ( -5.450 -2.761 0.568) 6.135 11.379 ( 1.411 0.556 -6.349) 6.528 11.562 ( 3.568 1.293 0.872) 3.894 11.788 ( 4.178 -10.520 -4.486) 12.176 11.882 ( 2.942 -1.957 2.823) 4.522 12.177 ( -4.208 -8.681 -9.682) 13.668 12.203 ( 3.810 -5.456 1.681) 6.864 14.742 ( -0.138 0.905 -0.123) 0.923 14.843 ( -2.038 0.173 0.783) 2.190 15.098 ( -2.157 2.228 -0.335) 3.119 15.415 ( -2.585 -4.915 -2.043) 5.917 22.363 ( -3.124 -2.260 3.779) 5.399 22.740 ( 4.829 -9.314 11.655) 15.681 24.315 ( 3.177 -3.079 -4.490) 6.304 24.636 ( 6.679 -8.595 -4.521) 11.787 25.691 ( -2.378 19.531 2.165) 19.794 26.148 ( -8.959 12.079 -8.265) 17.160 28.659 ( 0.254 0.119 0.586) 0.650 28.846 ( 0.248 -3.331 -0.881) 3.454 ======================= Grid point 172 (85/145) ======================= q-point: ( 0.38 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( 0.754 5.361 -4.391) 6.971 1.960 ( -1.732 2.850 7.002) 7.756 2.191 ( 0.520 9.478 0.159) 9.493 2.237 ( 0.706 7.776 -3.723) 8.650 2.383 ( 8.012 5.094 0.010) 9.494 2.462 ( -0.331 8.633 -0.555) 8.657 2.562 ( 2.263 8.489 4.857) 10.038 2.795 ( 1.229 6.840 3.243) 7.669 3.018 ( -0.774 1.839 -0.878) 2.180 3.226 ( 1.577 -5.081 -2.736) 5.982 3.388 ( 4.246 0.697 -1.925) 4.714 3.465 ( -3.931 -4.775 -0.068) 6.186 3.496 ( 2.289 -2.680 -4.602) 5.796 3.796 ( 6.036 3.533 -3.259) 7.716 3.889 ( -3.429 -1.765 -5.750) 6.924 3.984 ( 4.301 6.423 -8.031) 11.147 4.358 ( -4.157 1.362 1.791) 4.727 4.817 ( -0.833 -5.881 -4.249) 7.303 5.694 ( 3.994 11.656 0.210) 12.323 5.950 ( -4.029 0.673 -1.342) 4.299 6.206 ( 2.966 2.922 -5.776) 7.121 6.429 ( -0.832 13.048 -2.263) 13.269 6.515 ( -1.191 3.704 -7.936) 8.839 6.768 ( -3.253 11.741 -0.601) 12.198 8.327 ( -10.266 5.142 17.585) 21.001 8.970 ( -7.723 -6.710 19.653) 22.157 9.930 ( 2.143 11.789 3.789) 12.567 10.339 ( -1.565 5.513 3.574) 6.754 10.778 ( -6.549 -4.198 -3.739) 8.631 11.030 ( 3.145 -1.224 6.975) 7.749 11.357 ( 1.395 1.013 -8.458) 8.632 11.589 ( -1.265 -0.989 -0.059) 1.607 11.759 ( -1.126 -11.087 -4.353) 11.964 11.961 ( -0.005 1.430 -5.184) 5.377 12.131 ( 6.827 -10.650 3.629) 13.160 12.384 ( 9.270 -4.124 6.257) 11.920 14.748 ( 0.661 0.272 0.321) 0.784 14.811 ( -1.792 0.086 0.978) 2.043 15.036 ( -3.214 1.609 -2.107) 4.166 15.327 ( -3.759 -3.394 -4.437) 6.733 22.336 ( -2.226 0.768 3.181) 3.958 22.902 ( 2.332 -10.668 14.870) 18.449 24.314 ( 1.331 -2.899 -9.643) 10.157 24.693 ( 3.281 -8.485 -7.868) 12.027 25.695 ( 0.997 18.134 2.526) 18.336 25.928 ( -7.606 15.957 -6.159) 18.719 28.675 ( 0.683 -0.125 0.807) 1.065 28.837 ( -0.313 -3.389 -0.843) 3.506 ======================= Grid point 173 (86/145) ======================= q-point: (-0.50 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( -6.293 7.961 -7.101) 12.386 1.933 ( -4.433 8.067 4.908) 10.431 2.102 ( -7.802 12.757 -0.506) 14.962 2.248 ( 0.705 3.994 1.365) 4.279 2.412 ( 2.469 9.906 -6.047) 11.866 2.498 ( 0.444 2.761 4.067) 4.936 2.681 ( 3.020 6.547 5.824) 9.269 2.817 ( -3.685 3.590 1.733) 5.429 2.975 ( -0.364 3.316 -2.115) 3.950 3.198 ( -2.891 -5.004 -4.656) 7.422 3.333 ( -8.504 0.281 -3.294) 9.124 3.401 ( -3.472 -4.019 4.100) 6.709 3.561 ( 8.631 0.683 -5.170) 10.084 3.794 ( -2.459 2.843 -5.722) 6.846 3.922 ( 8.178 -4.029 -4.492) 10.163 4.011 ( 3.738 6.118 -6.584) 9.735 4.321 ( -0.458 1.608 1.614) 2.324 4.776 ( 0.465 -5.697 -5.558) 7.973 5.787 ( 5.159 10.990 0.586) 12.154 5.879 ( -2.756 2.921 -0.446) 4.040 6.259 ( 6.607 1.961 -6.460) 9.446 6.350 ( -1.732 5.879 -6.191) 8.711 6.489 ( 0.392 14.227 -4.638) 14.969 6.718 ( -0.795 12.210 -0.797) 12.262 8.284 ( -6.351 3.781 17.434) 18.936 8.961 ( -6.870 -8.332 19.489) 22.280 10.021 ( 3.520 8.839 5.391) 10.936 10.332 ( -1.542 3.590 2.838) 4.829 10.647 ( -4.828 -2.697 -1.192) 5.657 11.093 ( 0.244 -1.915 2.737) 3.350 11.310 ( -0.820 0.964 -8.489) 8.583 11.528 ( -2.932 -2.343 -1.753) 4.142 11.725 ( -0.894 -11.042 -0.256) 11.081 11.936 ( 1.158 1.906 -3.033) 3.764 12.329 ( 8.281 -8.521 6.206) 13.405 12.594 ( 8.631 -3.924 2.188) 9.731 14.773 ( 1.623 0.080 0.813) 1.817 14.789 ( -1.143 0.319 0.820) 1.442 14.957 ( -3.046 1.414 -2.645) 4.274 15.228 ( -3.066 -2.069 -4.894) 6.135 22.321 ( -1.790 2.299 3.952) 4.909 23.014 ( -1.874 -11.787 16.494) 20.359 24.238 ( -1.294 -3.327 -11.994) 12.514 24.646 ( -2.069 -9.251 -9.786) 13.625 25.711 ( -2.099 17.413 1.252) 17.584 25.859 ( 5.614 20.028 -3.739) 21.134 28.683 ( -0.663 -0.043 0.826) 1.061 28.834 ( 0.826 -3.533 -0.780) 3.711 ======================= Grid point 174 (87/145) ======================= q-point: (-0.38 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( -8.985 14.074 -4.382) 17.263 1.847 ( -10.176 14.879 2.664) 18.221 1.961 ( -4.546 6.608 5.407) 9.673 2.282 ( 1.840 1.634 -1.272) 2.770 2.400 ( -1.270 9.176 0.053) 9.264 2.533 ( -0.883 3.992 6.395) 7.590 2.598 ( -11.440 5.329 -5.047) 13.592 2.801 ( 0.801 5.533 3.610) 6.655 2.938 ( -6.706 1.134 5.047) 8.470 3.016 ( -11.701 -3.186 -4.353) 12.884 3.185 ( 0.234 0.812 -6.137) 6.195 3.408 ( 1.174 -1.802 2.847) 3.568 3.681 ( 5.248 0.230 -2.089) 5.653 3.713 ( -1.510 4.208 -6.360) 7.774 3.972 ( 0.715 -0.071 -3.168) 3.249 4.083 ( 7.081 -2.756 -5.432) 9.340 4.364 ( 3.380 1.072 2.199) 4.172 4.765 ( 2.406 -5.603 -7.572) 9.722 5.810 ( -2.183 6.830 -1.872) 7.410 5.916 ( 5.882 6.267 1.034) 8.657 6.283 ( 1.012 8.364 -7.347) 11.179 6.390 ( 7.671 4.087 -3.630) 9.419 6.456 ( 1.236 11.692 -5.994) 13.197 6.735 ( 2.670 11.319 -0.497) 11.640 8.315 ( -3.034 3.078 18.146) 18.653 8.968 ( -5.838 -8.706 18.929) 21.637 10.103 ( 1.252 5.145 1.642) 5.544 10.325 ( -0.216 1.938 2.567) 3.223 10.589 ( -2.044 1.110 3.752) 4.415 11.100 ( 0.534 -4.357 -1.293) 4.577 11.199 ( -5.889 -2.544 -3.842) 7.478 11.505 ( 1.573 2.082 -0.646) 2.688 11.704 ( -1.699 -8.532 -0.408) 8.709 11.942 ( 0.624 2.064 -1.859) 2.848 12.508 ( 6.734 -8.047 3.115) 10.945 12.718 ( 4.625 -4.676 -4.047) 7.722 14.780 ( -0.076 1.390 0.138) 1.399 14.821 ( 2.554 0.028 1.409) 2.916 14.899 ( -1.303 1.568 -0.984) 2.264 15.148 ( -2.344 -1.078 -3.288) 4.179 22.321 ( -1.301 1.487 4.829) 5.218 23.049 ( -5.972 -14.222 16.276) 22.424 24.130 ( -1.537 -3.647 -9.635) 10.416 24.499 ( -6.064 -9.476 -8.402) 14.041 25.697 ( 0.475 20.126 1.492) 20.187 26.009 ( 11.653 20.127 -5.754) 23.958 28.666 ( -1.307 0.181 0.968) 1.637 28.852 ( 1.161 -3.509 -1.026) 3.835 ======================= Grid point 175 (88/145) ======================= q-point: (-0.25 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( -4.927 18.140 3.874) 19.192 1.591 ( -18.918 12.301 5.783) 23.295 1.965 ( 0.006 4.553 3.583) 5.794 2.239 ( -8.481 15.988 1.054) 18.129 2.359 ( -3.946 3.385 1.583) 5.434 2.404 ( -1.140 3.772 -0.376) 3.958 2.520 ( -5.035 5.850 1.321) 7.830 2.685 ( -13.666 -4.693 1.115) 14.492 2.809 ( -1.979 -1.532 4.682) 5.309 2.931 ( -1.253 4.407 3.665) 5.868 3.222 ( 5.668 1.976 -4.919) 7.761 3.469 ( 3.998 -1.405 -0.655) 4.288 3.643 ( -1.414 4.732 -4.778) 6.872 3.732 ( 1.081 0.065 -0.440) 1.169 3.971 ( 2.483 0.470 -3.847) 4.603 4.184 ( 6.852 -4.548 -4.352) 9.305 4.457 ( 3.454 -1.185 3.897) 5.341 4.731 ( -1.220 -5.308 -7.984) 9.665 5.752 ( -1.990 7.492 -2.769) 8.232 6.034 ( 5.764 2.835 -0.411) 6.436 6.256 ( 0.210 15.653 -3.899) 16.132 6.415 ( 1.943 9.650 -7.524) 12.390 6.562 ( 9.344 -0.601 -3.966) 10.169 6.803 ( 4.403 9.376 -0.260) 10.362 8.399 ( -1.802 3.151 19.453) 19.789 8.988 ( -5.194 -7.627 18.233) 20.435 10.076 ( -1.779 3.302 -4.686) 6.002 10.370 ( 1.329 1.062 4.916) 5.202 10.615 ( 0.924 4.385 6.904) 8.231 11.029 ( -5.494 -3.984 -7.217) 9.907 11.142 ( 0.166 -6.460 6.101) 8.887 11.563 ( 3.519 1.145 1.214) 3.895 11.641 ( -2.831 -2.945 -4.499) 6.077 11.924 ( -1.162 2.199 -2.167) 3.299 12.609 ( 2.828 -6.481 -2.568) 7.523 12.717 ( 0.739 -6.602 -10.250) 12.214 14.784 ( 0.797 2.496 -1.653) 3.098 14.885 ( 2.779 0.498 1.212) 3.073 14.911 ( 2.209 1.876 2.987) 4.162 15.099 ( -1.549 -0.654 1.188) 2.058 22.335 ( -0.509 -1.355 4.889) 5.098 22.990 ( -10.958 -18.364 12.798) 24.922 24.083 ( 2.042 -3.585 -3.673) 5.524 24.335 ( -6.048 -8.394 -3.518) 10.928 25.742 ( 2.615 21.410 1.583) 21.627 26.202 ( 13.216 19.559 -9.305) 25.373 28.662 ( 0.325 0.296 1.324) 1.395 28.848 ( -0.891 -2.792 -1.593) 3.336 ======================= Grid point 176 (89/145) ======================= q-point: (-0.12 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( 0.716 16.252 9.898) 19.042 1.237 ( -19.191 13.367 7.383) 24.525 1.990 ( 0.201 3.113 1.850) 3.627 2.121 ( -5.438 14.312 3.856) 15.789 2.210 ( -9.187 1.447 -2.424) 9.611 2.395 ( -1.217 9.486 -0.010) 9.563 2.465 ( 3.439 4.404 2.648) 6.184 2.582 ( -4.598 -2.954 10.260) 11.625 2.828 ( -1.769 -2.696 11.138) 11.595 2.933 ( 0.616 6.011 -1.598) 6.250 3.291 ( 4.182 2.372 -5.029) 6.958 3.521 ( 2.718 -2.250 -4.124) 5.427 3.612 ( 0.622 4.531 -2.588) 5.255 3.747 ( 0.931 -2.457 0.774) 2.739 4.013 ( 4.724 2.218 -6.744) 8.528 4.264 ( 2.827 -6.722 -4.244) 8.437 4.530 ( 0.928 -2.590 2.662) 3.828 4.627 ( -3.038 -2.275 -2.330) 4.454 5.698 ( -1.422 8.745 -3.629) 9.574 6.122 ( 3.624 -0.961 -0.758) 3.825 6.248 ( 1.185 18.943 -2.127) 19.099 6.396 ( 1.440 7.081 -8.220) 10.945 6.696 ( 6.793 -1.234 -3.039) 7.544 6.879 ( 3.339 5.350 -1.626) 6.513 8.490 ( -3.203 3.983 20.890) 21.506 9.009 ( -5.293 -5.598 17.930) 19.515 10.017 ( 0.062 5.542 -6.149) 8.279 10.413 ( -0.495 2.687 5.077) 5.765 10.707 ( 2.713 4.064 7.287) 8.773 10.871 ( -6.374 -2.649 -2.759) 7.433 11.211 ( 2.538 -6.605 5.527) 8.978 11.528 ( -3.098 -6.755 -6.337) 9.767 11.662 ( 4.692 3.720 -0.163) 5.990 11.868 ( -3.101 2.354 -1.953) 4.356 12.546 ( -4.095 -3.856 -11.261) 12.588 12.652 ( 0.210 -9.293 -11.473) 14.766 14.783 ( 0.433 2.761 -2.207) 3.562 14.922 ( 0.572 1.071 -0.908) 1.516 15.005 ( 3.945 2.651 3.577) 5.949 15.144 ( 3.778 -2.216 8.669) 9.713 22.372 ( 1.017 -4.668 5.034) 6.940 22.799 ( -15.048 -17.559 7.544) 24.324 24.165 ( 6.506 -5.065 1.426) 8.368 24.242 ( -2.664 -7.702 1.843) 8.356 25.797 ( 1.593 21.601 0.897) 21.678 26.369 ( 10.824 15.944 -11.863) 22.630 28.695 ( 1.851 0.055 0.985) 2.097 28.801 ( -2.350 -1.378 -1.336) 3.034 ======================= Grid point 177 (90/145) ======================= q-point: ( 0.00 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( 2.094 15.625 4.972) 16.530 1.590 ( 1.401 13.179 4.026) 13.851 1.869 ( -3.601 -5.640 -5.291) 8.530 1.975 ( -1.508 -1.756 -0.998) 2.521 2.342 ( 0.619 0.431 5.033) 5.089 2.478 ( 4.250 -7.748 7.002) 11.275 2.557 ( 1.928 4.978 5.954) 7.997 2.759 ( 3.478 -0.048 10.167) 10.745 3.000 ( 1.008 12.221 10.893) 16.402 3.064 ( -1.329 8.274 -1.910) 8.595 3.378 ( 0.090 3.369 -5.044) 6.066 3.462 ( 1.308 -3.194 -3.764) 5.107 3.613 ( -0.525 -3.228 -1.088) 3.446 3.662 ( -0.067 -5.330 2.387) 5.840 4.038 ( -0.732 1.251 -8.495) 8.618 4.121 ( -2.051 -1.928 -5.227) 5.936 4.545 ( 1.280 1.414 0.191) 1.917 4.617 ( 4.461 -2.243 0.066) 4.993 5.831 ( 0.185 7.241 -4.267) 8.407 6.070 ( 0.353 -4.745 -2.378) 5.319 6.421 ( 0.288 5.135 -8.743) 10.144 6.657 ( 2.397 -6.333 -7.496) 10.102 6.753 ( 0.928 19.186 0.218) 19.210 7.032 ( 0.325 5.531 0.001) 5.540 8.680 ( -6.121 7.357 22.239) 24.211 8.943 ( -5.955 -4.143 19.615) 20.913 10.180 ( 3.856 7.977 -0.660) 8.885 10.448 ( 3.026 -4.161 7.408) 9.020 10.744 ( -6.426 6.540 -3.056) 9.665 10.935 ( 2.079 1.230 9.441) 9.746 11.187 ( 4.524 -6.326 5.072) 9.285 11.251 ( 0.679 -9.413 -4.616) 10.506 11.723 ( -0.821 1.823 -4.937) 5.327 11.865 ( -1.503 0.606 -1.600) 2.277 12.270 ( -5.572 -1.660 -16.688) 17.671 12.404 ( -2.567 -5.219 -13.117) 14.348 14.831 ( -0.843 3.158 -1.531) 3.610 14.918 ( -1.434 -0.169 -0.527) 1.537 15.134 ( 1.896 1.728 4.227) 4.944 15.225 ( 4.469 -3.606 6.062) 8.350 22.317 ( -0.946 -3.425 4.973) 6.112 22.400 ( -4.764 -6.537 5.119) 9.573 24.145 ( 2.180 -2.443 2.573) 4.164 24.199 ( 6.469 -4.664 1.987) 8.219 26.205 ( -1.619 16.595 -1.071) 16.708 26.557 ( 0.465 0.824 -7.833) 7.890 28.708 ( -1.041 0.754 -0.705) 1.465 28.759 ( 0.706 -1.584 0.192) 1.745 ======================= Grid point 178 (91/145) ======================= q-point: ( 0.12 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( 4.617 6.978 1.860) 8.572 1.699 ( 14.869 11.996 5.301) 19.826 1.881 ( 3.340 -3.522 1.985) 5.244 1.976 ( 5.333 0.466 -5.109) 7.400 2.391 ( 1.981 0.891 3.684) 4.276 2.573 ( -1.152 0.965 10.420) 10.528 2.700 ( 9.484 0.329 1.752) 9.650 2.899 ( 3.251 2.582 5.766) 7.105 3.009 ( -0.891 3.340 -4.516) 5.687 3.068 ( -1.641 8.829 8.679) 12.489 3.347 ( 1.567 4.165 -5.029) 6.715 3.457 ( -0.138 -3.012 -2.066) 3.655 3.550 ( -5.107 -3.308 -2.357) 6.525 3.697 ( 1.159 -3.476 4.850) 6.078 3.980 ( 1.226 1.579 -5.591) 5.938 4.042 ( -1.729 -1.361 -6.610) 6.966 4.552 ( -0.440 3.377 -1.226) 3.620 4.701 ( 4.093 -4.072 -2.462) 6.276 5.814 ( 1.004 7.222 -3.795) 8.220 6.045 ( -1.237 -4.794 -2.508) 5.550 6.360 ( -0.767 5.396 -7.146) 8.987 6.621 ( -0.897 -6.966 -6.962) 9.889 6.780 ( 1.755 18.806 -0.332) 18.891 7.036 ( 0.133 6.435 0.073) 6.436 8.667 ( -10.221 7.405 20.700) 24.244 8.933 ( -8.492 -4.376 19.038) 21.300 10.227 ( 0.712 12.624 -0.209) 12.646 10.539 ( -1.785 3.304 6.097) 7.161 10.661 ( 2.340 -0.686 1.231) 2.731 10.943 ( -5.037 -5.333 1.595) 7.508 11.252 ( 3.446 -5.875 -2.248) 7.172 11.373 ( 8.761 -6.020 4.131) 11.404 11.690 ( -0.005 2.125 -1.277) 2.479 11.872 ( 2.227 1.246 2.207) 3.374 12.060 ( -4.559 -3.331 -13.471) 14.606 12.238 ( -4.554 -5.633 -14.645) 16.339 14.801 ( -1.371 2.733 -0.565) 3.110 14.882 ( -2.179 -0.322 0.430) 2.245 15.169 ( -0.651 2.238 2.353) 3.312 15.312 ( 1.228 -5.064 2.407) 5.740 22.321 ( -1.224 -2.173 4.749) 5.364 22.431 ( 2.761 -6.455 6.265) 9.409 24.219 ( 4.164 -0.643 0.256) 4.221 24.344 ( 7.646 -6.303 -0.511) 9.922 26.140 ( -4.250 16.137 -0.205) 16.688 26.469 ( -4.318 1.298 -6.510) 7.919 28.683 ( -0.865 1.482 -0.195) 1.727 28.774 ( 0.599 -2.689 -0.094) 2.756 ======================= Grid point 179 (92/145) ======================= q-point: ( 0.25 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.712 ( 3.941 6.136 -0.236) 7.296 1.909 ( 0.577 -3.911 2.743) 4.811 2.085 ( 15.242 5.472 2.980) 16.466 2.143 ( 13.352 1.397 -1.915) 13.561 2.477 ( 3.724 5.442 5.922) 8.864 2.604 ( -1.388 7.100 7.067) 10.114 2.840 ( -0.008 7.924 -3.468) 8.649 2.901 ( -0.576 4.580 6.576) 8.034 3.025 ( 2.049 -6.652 -1.554) 7.132 3.068 ( 0.617 0.852 -1.226) 1.615 3.382 ( 4.003 4.945 -3.197) 7.121 3.418 ( -3.457 -2.283 -4.702) 6.267 3.435 ( -1.945 -3.944 -1.084) 4.529 3.741 ( 0.225 -5.732 0.768) 5.787 3.976 ( 1.062 2.989 -4.548) 5.546 4.029 ( 5.744 2.689 -5.683) 8.516 4.508 ( -3.235 4.602 -1.495) 5.820 4.724 ( 0.423 -5.588 -3.577) 6.649 5.825 ( 2.368 6.520 -2.316) 7.313 5.995 ( -1.784 -3.011 -2.793) 4.477 6.307 ( -0.206 5.270 -5.282) 7.464 6.540 ( -2.568 -5.317 -6.433) 8.732 6.812 ( 2.003 17.806 -1.032) 17.948 7.032 ( -0.632 7.487 -0.264) 7.518 8.576 ( -12.452 7.652 18.439) 23.529 8.881 ( -9.763 -5.947 18.352) 21.622 10.207 ( -1.597 14.611 -1.065) 14.736 10.497 ( -3.829 6.130 4.052) 8.286 10.780 ( 1.021 -7.117 0.507) 7.208 10.840 ( -2.064 -5.664 5.746) 8.328 11.293 ( 2.398 -3.616 -2.397) 4.957 11.520 ( 3.853 -12.394 -2.708) 13.258 11.721 ( 1.485 9.087 -1.703) 9.364 11.879 ( 1.932 1.273 -3.270) 4.006 12.036 ( -0.813 -4.936 -4.989) 7.065 12.082 ( 3.913 -6.147 -0.950) 7.348 14.775 ( -1.085 2.110 0.229) 2.383 14.843 ( -2.237 -0.370 1.061) 2.503 15.143 ( -2.684 2.316 -0.108) 3.547 15.306 ( -1.949 -5.275 -1.169) 5.744 22.346 ( 0.230 0.945 4.707) 4.807 22.551 ( 3.965 -8.257 8.832) 12.724 24.290 ( 4.106 0.754 -4.200) 5.922 24.468 ( 6.547 -7.155 -4.492) 10.688 26.062 ( -3.650 14.994 1.300) 15.487 26.320 ( -6.560 3.675 -4.912) 8.982 28.675 ( -0.030 1.491 0.282) 1.518 28.778 ( -0.074 -3.074 -0.239) 3.084 ======================= Grid point 180 (93/145) ======================= q-point: ( 0.38 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.752 ( 0.763 5.761 -2.115) 6.184 1.939 ( 0.681 -2.862 2.910) 4.138 2.282 ( 5.999 2.976 1.131) 6.792 2.344 ( 3.670 0.696 0.510) 3.770 2.567 ( 1.429 10.251 -0.527) 10.363 2.653 ( -0.847 8.464 10.678) 13.652 2.765 ( -0.664 8.653 -1.636) 8.832 2.915 ( -3.046 3.245 4.294) 6.184 3.018 ( 0.869 -1.036 -3.027) 3.315 3.119 ( 2.854 -4.867 -1.428) 5.820 3.328 ( -3.050 -5.338 0.864) 6.208 3.414 ( 0.673 -1.869 -3.503) 4.027 3.458 ( 6.874 1.317 -7.227) 10.061 3.713 ( 0.663 -7.359 -6.802) 10.043 3.989 ( 1.848 7.721 -4.543) 9.147 4.107 ( 5.173 3.687 -5.921) 8.684 4.426 ( -3.666 4.814 -0.376) 6.062 4.683 ( -1.514 -6.696 -3.475) 7.694 5.872 ( 3.347 5.242 -0.575) 6.246 5.951 ( -0.934 -0.351 -1.882) 2.130 6.289 ( 2.046 4.650 -4.944) 7.089 6.450 ( -1.796 -2.460 -6.671) 7.334 6.839 ( 1.545 16.500 -1.444) 16.635 7.006 ( -1.594 8.955 -0.911) 9.141 8.463 ( -11.011 7.685 16.990) 21.656 8.817 ( -9.231 -7.955 17.907) 21.660 10.178 ( -0.639 11.422 -0.159) 11.441 10.448 ( -4.222 3.657 3.135) 6.405 10.682 ( -4.558 -3.370 -0.982) 5.753 10.951 ( 2.043 -7.224 8.864) 11.616 11.321 ( 2.285 -1.998 -2.448) 3.899 11.494 ( -2.241 -9.795 -8.250) 13.001 11.663 ( -1.286 3.859 -5.090) 6.516 11.902 ( -0.535 -7.319 -5.507) 9.175 12.064 ( 8.392 4.456 5.776) 11.120 12.291 ( 10.075 -4.829 5.928) 12.648 14.765 ( -0.245 1.370 0.763) 1.588 14.814 ( -1.632 -0.170 1.393) 2.152 15.074 ( -3.424 2.285 -2.089) 4.616 15.239 ( -2.950 -4.794 -3.464) 6.609 22.382 ( -0.271 3.815 5.489) 6.690 22.682 ( 2.031 -9.974 11.519) 15.372 24.302 ( 1.349 1.640 -8.776) 9.029 24.518 ( 2.780 -7.877 -8.352) 11.812 26.032 ( -0.781 13.244 2.372) 13.478 26.182 ( -3.886 7.356 -3.299) 8.949 28.683 ( 0.448 1.005 0.432) 1.182 28.771 ( -0.435 -2.906 -0.207) 2.946 ======================= Grid point 181 (94/145) ======================= q-point: (-0.50 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.716 ( -2.584 8.430 -2.853) 9.267 1.960 ( -0.683 -2.577 3.013) 4.023 2.312 ( -5.185 6.460 -1.619) 8.441 2.334 ( -2.236 3.645 3.545) 5.555 2.558 ( -3.165 4.420 3.914) 6.698 2.628 ( -2.645 7.216 1.307) 7.796 2.778 ( -0.797 1.615 -2.153) 2.807 2.880 ( -1.435 1.962 2.972) 3.840 3.047 ( -0.653 1.322 2.078) 2.548 3.110 ( -0.707 -0.454 -2.862) 2.983 3.321 ( -0.404 -2.570 2.812) 3.831 3.349 ( -3.725 0.207 -4.780) 6.063 3.563 ( 7.358 -0.245 -4.738) 8.755 3.729 ( 5.062 -7.315 -7.407) 11.576 3.948 ( -1.244 6.700 -6.262) 9.255 4.122 ( 0.839 2.363 -6.144) 6.636 4.396 ( 0.644 5.051 -0.192) 5.096 4.646 ( 0.692 -6.476 -4.379) 7.848 5.926 ( 0.988 2.442 -0.489) 2.680 5.944 ( 1.801 2.971 0.355) 3.492 6.322 ( 5.350 3.691 -6.495) 9.188 6.399 ( 1.746 0.707 -7.117) 7.362 6.845 ( -0.151 15.637 -1.468) 15.707 6.970 ( -0.908 9.929 -1.271) 10.051 8.401 ( -6.991 7.356 16.899) 19.712 8.778 ( -7.156 -9.146 17.974) 21.399 10.179 ( 0.135 6.330 0.750) 6.376 10.374 ( -4.260 -0.873 0.407) 4.367 10.630 ( -2.022 2.843 3.950) 5.270 11.002 ( -1.325 -7.983 4.862) 9.441 11.312 ( -1.889 -0.759 -9.281) 9.502 11.388 ( -1.490 -7.474 -2.818) 8.126 11.648 ( 1.947 2.772 -0.358) 3.406 11.907 ( 2.521 -5.688 -0.549) 6.246 12.258 ( 7.462 2.844 4.763) 9.299 12.499 ( 8.316 -5.226 1.467) 9.931 14.776 ( 0.669 0.625 1.120) 1.446 14.803 ( -0.257 0.337 1.476) 1.536 14.995 ( -2.766 2.539 -2.750) 4.654 15.161 ( -2.349 -4.152 -3.964) 6.202 22.403 ( -1.949 5.595 6.603) 8.872 22.768 ( -2.023 -11.281 13.057) 17.374 24.225 ( -2.072 1.859 -10.732) 11.087 24.458 ( -2.407 -8.386 -10.032) 13.296 26.043 ( 0.148 13.223 1.901) 13.359 26.170 ( 4.832 9.018 -2.136) 10.451 28.690 ( -0.253 0.790 0.415) 0.928 28.767 ( 0.437 -2.804 -0.209) 2.846 ======================= Grid point 182 (95/145) ======================= q-point: (-0.38 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( -4.263 12.972 -1.544) 13.742 1.964 ( -0.721 -2.038 3.043) 3.733 2.130 ( -12.768 9.898 1.032) 16.189 2.306 ( -2.386 1.170 3.668) 4.529 2.507 ( -6.059 -0.688 7.470) 9.643 2.544 ( -6.742 -0.653 -1.220) 6.882 2.757 ( 1.246 4.728 -2.146) 5.339 2.860 ( -6.453 -3.706 -0.783) 7.482 2.959 ( -5.891 8.151 1.675) 10.195 3.052 ( -5.851 4.241 0.820) 7.273 3.259 ( 1.570 5.024 -3.729) 6.451 3.368 ( 2.290 -1.901 0.814) 3.086 3.635 ( 2.647 -2.905 -3.760) 5.439 3.747 ( 0.353 -4.539 -3.092) 5.503 3.925 ( 3.377 2.823 -5.824) 7.300 4.104 ( 1.938 0.248 -4.162) 4.598 4.424 ( 2.352 4.249 -0.963) 4.951 4.643 ( 2.012 -5.832 -5.897) 8.534 5.918 ( -0.877 3.901 -0.595) 4.042 5.994 ( 2.811 1.107 -0.681) 3.097 6.389 ( 6.352 3.777 -9.049) 11.683 6.436 ( 6.697 1.333 -5.771) 8.940 6.813 ( -1.885 16.326 -1.368) 16.491 6.966 ( 1.067 9.013 -0.762) 9.108 8.423 ( -3.136 7.101 18.078) 19.674 8.786 ( -4.747 -8.799 18.483) 21.014 10.173 ( -1.122 2.559 -1.052) 2.986 10.315 ( -2.017 -2.932 1.729) 3.957 10.646 ( -0.158 4.711 6.269) 7.843 10.990 ( -2.298 -7.939 4.034) 9.196 11.169 ( -4.553 0.856 -8.900) 10.033 11.374 ( 0.197 -9.003 -1.905) 9.205 11.719 ( 3.948 5.746 1.715) 7.180 11.951 ( 1.883 -2.334 -1.202) 3.231 12.409 ( 5.971 -0.080 1.455) 6.147 12.612 ( 4.224 -5.632 -4.510) 8.361 14.802 ( 1.307 0.921 1.025) 1.899 14.832 ( 2.039 0.305 1.746) 2.702 14.941 ( -1.092 2.847 -1.450) 3.377 15.100 ( -1.587 -3.372 -2.731) 4.620 22.392 ( -3.858 5.382 6.780) 9.477 22.770 ( -6.790 -12.218 12.345) 18.649 24.108 ( -2.631 1.274 -8.241) 8.744 24.315 ( -5.318 -7.929 -7.908) 12.396 26.080 ( 2.723 15.468 1.084) 15.744 26.298 ( 9.325 7.157 -3.530) 12.274 28.681 ( -0.597 1.386 0.450) 1.575 28.782 ( 0.982 -3.122 -0.346) 3.291 ======================= Grid point 183 (96/145) ======================= q-point: (-0.25 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.558 ( -2.817 16.001 1.643) 16.330 1.849 ( -17.034 13.119 3.329) 21.756 1.981 ( 0.104 -3.055 1.752) 3.524 2.307 ( -0.925 -0.881 6.416) 6.542 2.367 ( -9.663 -4.877 -3.910) 11.508 2.430 ( -8.366 -3.244 8.160) 12.128 2.631 ( -10.105 2.317 -3.143) 10.833 2.739 ( -6.272 -3.932 3.417) 8.153 2.858 ( -2.496 17.203 5.244) 18.157 3.045 ( 1.650 5.773 2.044) 6.342 3.309 ( 4.552 5.150 -2.836) 7.436 3.422 ( 3.624 -2.958 -2.220) 5.178 3.639 ( 0.574 -3.742 -2.817) 4.719 3.708 ( -2.370 -3.680 -1.412) 4.600 3.982 ( 5.659 2.708 -4.657) 7.813 4.137 ( 3.764 -1.484 -4.045) 5.721 4.467 ( 2.253 1.998 0.331) 3.029 4.624 ( -0.387 -4.866 -5.018) 7.001 5.890 ( -0.891 5.557 -2.100) 6.007 6.038 ( 2.709 -1.443 -2.243) 3.802 6.441 ( 5.193 4.852 -9.189) 11.617 6.542 ( 7.648 -1.075 -6.173) 9.887 6.769 ( -1.552 17.781 -1.013) 17.877 6.992 ( 1.698 6.969 -0.114) 7.174 8.510 ( -1.572 7.140 20.082) 21.372 8.837 ( -3.359 -7.180 19.148) 20.724 10.132 ( -0.900 2.779 -2.899) 4.116 10.318 ( -0.080 -4.986 4.010) 6.399 10.705 ( 1.394 4.307 7.899) 9.105 10.981 ( -3.721 -7.572 7.744) 11.452 11.046 ( -1.105 3.322 -8.017) 8.748 11.355 ( -0.993 -10.975 -2.119) 11.222 11.786 ( 2.574 7.668 -2.499) 8.466 11.953 ( -0.137 -0.116 -2.684) 2.690 12.499 ( 3.808 -2.720 -3.528) 5.860 12.599 ( -0.190 -5.026 -10.531) 11.670 14.838 ( 1.944 2.503 -0.997) 3.322 14.895 ( 2.987 0.122 1.386) 3.295 14.947 ( 1.793 2.019 2.825) 3.908 15.066 ( -0.944 -2.479 0.615) 2.723 22.351 ( -4.463 3.041 5.782) 7.912 22.674 ( -10.481 -12.309 9.373) 18.687 24.043 ( 0.151 -0.159 -2.857) 2.866 24.180 ( -4.290 -6.284 -2.882) 8.137 26.150 ( 3.744 16.746 0.093) 17.159 26.450 ( 9.231 4.594 -6.124) 11.992 28.683 ( 0.490 1.726 0.611) 1.895 28.789 ( -0.114 -2.865 -0.699) 2.951 ======================= Grid point 184 (97/145) ======================= q-point: (-0.12 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( -6.900 15.547 4.753) 17.661 1.567 ( -7.436 15.988 2.309) 17.783 1.988 ( -1.500 -3.485 1.055) 3.938 2.103 ( -12.312 -6.047 -6.201) 15.054 2.309 ( -2.435 2.066 4.806) 5.771 2.386 ( -0.147 -5.314 9.633) 11.002 2.526 ( -2.101 2.624 2.372) 4.114 2.678 ( -2.715 -3.273 9.835) 10.715 2.908 ( 1.305 15.420 8.521) 17.666 3.078 ( 0.506 7.326 0.326) 7.351 3.370 ( 3.286 4.169 -2.721) 5.965 3.462 ( 2.649 -3.528 -5.321) 6.912 3.625 ( -0.614 -3.098 -0.632) 3.221 3.663 ( -0.947 -4.604 -0.763) 4.762 4.053 ( 4.703 2.029 -6.833) 8.540 4.167 ( 1.780 -2.724 -5.268) 6.192 4.511 ( 1.667 0.402 1.336) 2.174 4.579 ( -0.818 -2.292 -1.057) 2.653 5.859 ( -0.298 6.650 -3.554) 7.546 6.066 ( 1.816 -3.458 -2.697) 4.746 6.456 ( 2.661 5.036 -9.255) 10.867 6.628 ( 5.599 -3.847 -7.014) 9.765 6.746 ( -0.306 18.921 -0.234) 18.925 7.020 ( 1.048 5.390 -0.022) 5.491 8.614 ( -2.769 7.302 21.902) 23.252 8.902 ( -3.768 -5.278 19.652) 20.695 10.124 ( 2.220 4.964 -2.347) 5.923 10.362 ( 1.363 -5.698 5.574) 8.087 10.806 ( 2.710 4.056 10.079) 11.197 10.889 ( -6.185 3.356 -1.314) 7.158 11.074 ( 3.365 -5.343 3.795) 7.367 11.306 ( -1.971 -11.314 -3.544) 12.019 11.775 ( -0.067 5.692 -6.549) 8.678 11.917 ( -1.580 0.691 -2.894) 3.369 12.471 ( -3.793 -2.955 -14.459) 15.237 12.500 ( 0.611 -4.589 -9.621) 10.677 14.849 ( 0.410 3.333 -2.233) 4.033 14.935 ( 0.593 0.021 -1.021) 1.181 15.044 ( 4.271 1.152 4.731) 6.476 15.099 ( 2.508 -2.061 6.680) 7.427 22.314 ( -2.723 -0.439 4.945) 5.662 22.518 ( -10.345 -10.142 6.370) 15.825 24.078 ( 3.663 -2.551 1.413) 4.682 24.125 ( -0.928 -4.114 1.482) 4.471 26.207 ( 2.012 16.880 -0.820) 17.020 26.550 ( 5.715 2.120 -7.888) 9.969 28.705 ( 1.196 0.968 0.358) 1.579 28.769 ( -1.201 -1.689 -0.749) 2.203 ======================= Grid point 185 (98/145) ======================= q-point: ( 0.00 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.715 ( -1.670 -9.594 -2.023) 9.946 1.715 ( -1.670 9.594 -2.023) 9.946 1.851 ( 0.756 -10.438 1.966) 10.649 1.851 ( 0.756 10.438 1.966) 10.649 2.360 ( 1.143 -2.589 6.184) 6.801 2.360 ( 1.143 2.589 6.184) 6.801 2.669 ( 4.043 -5.857 8.494) 11.081 2.669 ( 4.043 5.857 8.494) 11.081 3.173 ( -1.350 -2.327 2.996) 4.026 3.173 ( -1.350 2.327 2.996) 4.026 3.424 ( 0.871 -1.829 -2.559) 3.264 3.424 ( 0.871 1.829 -2.559) 3.264 3.568 ( 0.008 -1.207 0.027) 1.207 3.568 ( 0.008 1.207 0.027) 1.207 4.079 ( -1.181 -2.273 -6.608) 7.087 4.079 ( -1.181 2.273 -6.608) 7.087 4.578 ( 2.994 -1.648 0.042) 3.418 4.578 ( 2.994 1.648 0.042) 3.418 5.963 ( 0.364 -5.556 -4.110) 6.920 5.963 ( 0.364 5.556 -4.110) 6.920 6.533 ( 0.956 -5.543 -8.082) 9.847 6.533 ( 0.956 5.543 -8.082) 9.847 7.034 ( 0.751 -6.528 0.234) 6.575 7.034 ( 0.751 6.528 0.234) 6.575 8.831 ( -6.105 -6.603 21.365) 23.180 8.831 ( -6.105 6.603 21.365) 23.180 10.329 ( 4.857 -6.485 4.013) 9.042 10.329 ( 4.857 6.485 4.013) 9.042 10.888 ( -4.884 -6.173 2.591) 8.287 10.888 ( -4.884 6.173 2.591) 8.287 11.125 ( 4.861 -2.591 1.476) 5.702 11.125 ( 4.861 2.591 1.476) 5.702 11.802 ( -1.929 -4.900 -4.527) 6.945 11.802 ( -1.929 4.900 -4.527) 6.945 12.308 ( -3.691 -3.996 -14.870) 15.834 12.308 ( -3.691 3.996 -14.870) 15.834 14.892 ( -1.295 -2.324 -0.960) 2.829 14.892 ( -1.295 2.324 -0.960) 2.829 15.168 ( 2.880 -1.912 5.046) 6.116 15.168 ( 2.880 1.912 5.046) 6.116 22.306 ( -2.438 -2.237 4.632) 5.693 22.306 ( -2.438 2.237 4.632) 5.693 24.135 ( 4.263 -1.420 2.313) 5.054 24.135 ( 4.263 1.420 2.313) 5.054 26.473 ( -0.931 -8.639 -3.964) 9.551 26.473 ( -0.931 8.639 -3.964) 9.551 28.729 ( -0.245 -1.229 -0.256) 1.279 28.729 ( -0.245 1.229 -0.256) 1.279 ======================= Grid point 187 (99/145) ======================= q-point: ( 0.12 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.751 ( 4.134 -4.476 0.477) 6.111 1.751 ( 4.134 4.476 0.477) 6.111 1.937 ( 8.289 -5.006 -0.029) 9.684 1.937 ( 8.289 5.006 -0.029) 9.684 2.462 ( 4.298 -6.268 8.084) 11.096 2.462 ( 4.298 6.268 8.084) 11.096 2.805 ( 5.117 -6.778 3.508) 9.188 2.805 ( 5.117 6.778 3.508) 9.188 3.130 ( -3.852 -3.370 -0.154) 5.120 3.130 ( -3.852 3.370 -0.154) 5.120 3.417 ( -0.075 -1.165 -2.607) 2.856 3.417 ( -0.075 1.165 -2.607) 2.856 3.574 ( -0.672 -6.401 2.599) 6.941 3.574 ( -0.672 6.401 2.599) 6.941 4.017 ( 0.326 -1.557 -5.637) 5.857 4.017 ( 0.326 1.557 -5.637) 5.857 4.624 ( 1.893 -3.439 -2.000) 4.405 4.624 ( 1.893 3.439 -2.000) 4.405 5.941 ( 0.298 -5.264 -4.028) 6.635 5.941 ( 0.298 5.264 -4.028) 6.635 6.483 ( -0.736 -6.222 -6.612) 9.109 6.483 ( -0.736 6.222 -6.612) 9.109 7.052 ( 0.992 -6.086 -0.080) 6.166 7.052 ( 0.992 6.086 -0.080) 6.166 8.818 ( -9.666 -6.626 19.997) 23.177 8.818 ( -9.666 6.626 19.997) 23.177 10.452 ( 3.685 -8.564 5.477) 10.813 10.452 ( 3.685 8.564 5.477) 10.813 10.776 ( -5.700 -8.680 -1.506) 10.493 10.776 ( -5.700 8.680 -1.506) 10.493 11.246 ( 5.290 -4.350 0.772) 6.892 11.246 ( 5.290 4.350 0.772) 6.892 11.790 ( 2.336 -6.195 2.645) 7.130 11.790 ( 2.336 6.195 2.645) 7.130 12.119 ( -4.829 -5.736 -15.734) 17.429 12.119 ( -4.829 5.736 -15.734) 17.429 14.856 ( -2.000 -2.158 0.053) 2.943 14.856 ( -2.000 2.158 0.053) 2.943 15.224 ( 0.095 -3.304 2.452) 4.116 15.224 ( 0.095 3.304 2.452) 4.116 22.329 ( 1.271 -2.862 5.108) 5.991 22.329 ( 1.271 2.862 5.108) 5.991 24.245 ( 5.987 -3.095 -0.034) 6.739 24.245 ( 5.986 3.095 -0.034) 6.739 26.397 ( -4.206 -8.076 -2.933) 9.567 26.397 ( -4.206 8.076 -2.933) 9.567 28.723 ( -0.236 -2.231 -0.123) 2.247 28.723 ( -0.236 2.231 -0.123) 2.247 ======================= Grid point 189 (100/145) ======================= q-point: ( 0.25 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.822 ( 2.478 -4.480 1.063) 5.229 1.822 ( 2.478 4.480 1.063) 5.229 2.149 ( 12.205 -1.190 -0.952) 12.300 2.149 ( 12.205 1.190 -0.952) 12.300 2.619 ( 4.305 -5.736 11.875) 13.872 2.619 ( 4.305 5.736 11.875) 13.872 2.901 ( 4.551 -3.899 -1.630) 6.210 2.901 ( 4.551 3.899 -1.630) 6.210 3.038 ( -4.671 -4.933 -1.667) 6.995 3.038 ( -4.671 4.933 -1.667) 6.995 3.373 ( -2.142 -1.502 -3.470) 4.346 3.373 ( -2.142 1.502 -3.470) 4.346 3.570 ( 0.102 -9.242 -2.038) 9.465 3.570 ( 0.102 9.242 -2.038) 9.465 4.041 ( 4.955 -1.789 -3.375) 6.256 4.041 ( 4.955 1.789 -3.375) 6.256 4.611 ( -1.478 -5.179 -2.957) 6.144 4.611 ( -1.478 5.179 -2.957) 6.144 5.927 ( 0.907 -3.706 -3.193) 4.975 5.927 ( 0.907 3.706 -3.193) 4.975 6.424 ( -1.069 -5.658 -5.213) 7.767 6.424 ( -1.069 5.658 -5.213) 7.767 7.067 ( 0.742 -5.303 -0.695) 5.400 7.067 ( 0.742 5.303 -0.695) 5.400 8.738 ( -11.546 -7.567 18.213) 22.853 8.738 ( -11.546 7.567 18.213) 22.853 10.486 ( -3.127 -10.485 0.269) 10.945 10.486 ( -3.127 10.485 0.269) 10.945 10.713 ( -0.621 -4.766 3.903) 6.192 10.713 ( -0.621 4.766 3.903) 6.192 11.316 ( 2.650 -5.979 -1.294) 6.666 11.316 ( 2.650 5.979 -1.294) 6.666 11.886 ( -0.720 -4.224 -5.782) 7.197 11.886 ( -0.720 4.224 -5.782) 7.197 11.975 ( 4.474 -1.041 -0.671) 4.642 11.975 ( 4.474 1.041 -0.671) 4.642 14.820 ( -1.902 -1.847 0.803) 2.770 14.820 ( -1.902 1.847 0.803) 2.770 15.207 ( -2.330 -3.969 -0.461) 4.626 15.207 ( -2.330 3.969 -0.461) 4.626 22.409 ( 2.557 -5.066 6.488) 8.620 22.409 ( 2.557 5.066 6.488) 8.620 24.345 ( 5.402 -4.408 -4.248) 8.164 24.345 ( 5.402 4.408 -4.248) 8.164 26.291 ( -4.751 -6.422 -1.368) 8.104 26.291 ( -4.751 6.422 -1.368) 8.104 28.719 ( -0.163 -2.553 0.050) 2.558 28.719 ( -0.163 2.553 0.050) 2.558 ======================= Grid point 191 (101/145) ======================= q-point: ( 0.38 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.862 ( 1.075 -4.521 0.386) 4.663 1.862 ( 1.075 4.521 0.386) 4.663 2.331 ( 5.929 -1.609 0.913) 6.211 2.331 ( 5.929 1.609 0.913) 6.211 2.723 ( -1.459 -3.574 6.826) 7.842 2.723 ( -1.459 3.574 6.826) 7.842 2.907 ( -5.046 -5.260 -0.213) 7.292 2.907 ( -5.046 5.260 -0.213) 7.292 3.021 ( 5.278 -3.830 0.502) 6.541 3.021 ( 5.278 3.830 0.502) 6.541 3.321 ( 0.034 -4.143 -3.429) 5.378 3.321 ( 0.034 4.143 -3.429) 5.378 3.561 ( 2.797 -6.674 -7.426) 10.369 3.561 ( 2.797 6.674 -7.426) 10.369 4.114 ( 3.831 -3.211 -4.830) 6.951 4.114 ( 3.831 3.211 -4.830) 6.951 4.545 ( -2.646 -6.354 -2.309) 7.260 4.545 ( -2.646 6.354 -2.309) 7.260 5.935 ( 1.633 -1.425 -1.734) 2.776 5.935 ( 1.633 1.425 -1.734) 2.776 6.382 ( 0.547 -3.956 -4.951) 6.361 6.382 ( 0.547 3.956 -4.951) 6.361 7.068 ( 0.060 -4.112 -1.269) 4.304 7.068 ( 0.060 4.112 -1.269) 4.304 8.639 ( -10.526 -8.812 17.071) 21.906 8.639 ( -10.526 8.812 17.071) 21.906 10.390 ( -4.704 -8.201 -2.171) 9.700 10.390 ( -4.704 8.201 -2.171) 9.700 10.754 ( -0.087 -9.278 6.615) 11.395 10.754 ( -0.087 9.278 6.615) 11.395 11.342 ( 1.051 -4.228 -2.432) 4.989 11.342 ( 1.051 4.228 -2.432) 4.989 11.766 ( -1.770 -5.638 -7.533) 9.575 11.766 ( -1.770 5.638 -7.533) 9.575 12.179 ( 9.569 -5.765 5.859) 12.615 12.179 ( 9.569 5.765 5.859) 12.615 14.797 ( -1.135 -1.376 1.248) 2.177 14.797 ( -1.135 1.376 1.248) 2.177 15.141 ( -3.057 -4.173 -2.557) 5.771 15.141 ( -3.057 4.173 -2.557) 5.771 22.499 ( 1.204 -7.302 8.384) 11.183 22.499 ( 1.204 7.302 8.384) 11.183 24.377 ( 1.985 -5.370 -8.443) 10.201 24.377 ( 1.985 5.370 -8.443) 10.201 26.218 ( -1.926 -3.945 -0.007) 4.390 26.218 ( -1.926 3.945 -0.007) 4.390 28.717 ( -0.078 -2.180 0.130) 2.185 28.717 ( -0.078 2.180 0.130) 2.185 ======================= Grid point 193 (102/145) ======================= q-point: (-0.50 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.869 ( -0.383 -5.938 -0.022) 5.951 1.869 ( -0.383 5.938 -0.022) 5.951 2.376 ( -2.454 -0.387 2.681) 3.655 2.376 ( -2.454 0.387 2.681) 3.655 2.660 ( -7.959 -4.075 2.677) 9.334 2.660 ( -7.959 4.075 2.677) 9.334 2.831 ( -0.939 -4.506 -1.912) 4.984 2.831 ( -0.939 4.506 -1.912) 4.984 3.098 ( 0.201 -3.224 3.917) 5.077 3.098 ( 0.201 3.224 3.917) 5.077 3.325 ( 1.644 -2.302 -3.066) 4.172 3.325 ( 1.644 2.302 -3.066) 4.172 3.596 ( 5.252 -4.293 -6.533) 9.417 3.596 ( 5.252 4.293 -6.533) 9.417 4.090 ( -1.539 -5.151 -6.421) 8.374 4.090 ( -1.539 5.151 -6.421) 8.374 4.514 ( 1.074 -6.029 -2.577) 6.644 4.514 ( 1.074 6.029 -2.577) 6.644 5.960 ( 1.548 -0.855 -0.541) 1.849 5.960 ( 1.548 0.855 -0.541) 1.849 6.386 ( 3.748 -1.966 -5.966) 7.315 6.386 ( 3.748 1.966 -5.966) 7.315 7.054 ( -0.527 -3.111 -1.416) 3.458 7.054 ( -0.527 3.111 -1.416) 3.458 8.581 ( -7.151 -9.423 17.092) 20.786 8.581 ( -7.151 9.423 17.092) 20.786 10.298 ( -3.554 -5.198 -1.247) 6.419 10.298 ( -3.554 5.198 -1.247) 6.419 10.783 ( -1.303 -10.631 5.888) 12.223 10.783 ( -1.303 10.631 5.888) 12.223 11.308 ( -1.212 -1.099 -6.593) 6.793 11.308 ( -1.212 1.099 -6.593) 6.793 11.759 ( 2.878 -7.004 1.339) 7.690 11.759 ( 2.878 7.004 1.339) 7.690 12.374 ( 7.551 -6.526 1.854) 10.151 12.374 ( 7.551 6.526 1.854) 10.151 14.795 ( 0.095 -0.929 1.448) 1.723 14.795 ( 0.095 0.929 1.448) 1.723 15.068 ( -2.290 -4.291 -3.116) 5.777 15.068 ( -2.290 4.291 -3.116) 5.777 22.555 ( -1.993 -8.865 9.746) 13.324 22.555 ( -1.993 8.865 9.746) 13.324 24.307 ( -2.394 -5.770 -10.165) 11.931 24.307 ( -2.394 5.770 -10.165) 11.931 26.226 ( 2.634 -3.527 0.283) 4.411 26.226 ( 2.634 3.527 0.283) 4.411 28.718 ( 0.110 -1.877 0.104) 1.884 28.718 ( 0.110 1.877 0.104) 1.884 ======================= Grid point 195 (103/145) ======================= q-point: (-0.38 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.853 ( -0.970 -8.166 0.045) 8.224 1.853 ( -0.970 8.166 0.045) 8.224 2.297 ( -7.414 -4.067 3.375) 9.104 2.297 ( -7.414 4.067 3.375) 9.104 2.493 ( -10.345 -1.900 3.773) 11.175 2.493 ( -10.345 1.900 3.773) 11.175 2.806 ( -2.553 -1.556 -1.768) 3.473 2.806 ( -2.553 1.556 -1.768) 3.473 3.092 ( -2.117 -2.492 2.511) 4.122 3.092 ( -2.117 2.492 2.511) 4.122 3.335 ( 2.221 -1.832 -3.212) 4.314 3.335 ( 2.221 1.832 -3.212) 4.314 3.627 ( 1.111 -3.552 -3.397) 5.039 3.627 ( 1.111 3.552 -3.397) 5.039 4.043 ( 1.480 -5.623 -4.335) 7.253 4.043 ( 1.480 5.623 -4.335) 7.253 4.526 ( 1.974 -5.284 -3.882) 6.848 4.526 ( 1.974 5.284 -3.882) 6.848 5.980 ( 0.966 -2.037 -0.924) 2.437 5.980 ( 0.966 2.037 -0.924) 2.437 6.441 ( 6.213 -1.062 -7.144) 9.527 6.441 ( 6.213 1.062 -7.144) 9.527 7.034 ( -0.550 -3.683 -0.998) 3.855 7.034 ( -0.550 3.683 -0.998) 3.855 8.597 ( -3.595 -9.091 18.231) 20.687 8.597 ( -3.595 9.091 18.231) 20.687 10.237 ( -2.299 -3.738 -0.270) 4.397 10.237 ( -2.299 3.738 -0.270) 4.397 10.792 ( -1.490 -9.138 5.727) 10.886 10.792 ( -1.490 9.138 5.727) 10.886 11.233 ( -1.635 -4.802 -6.298) 8.087 11.233 ( -1.635 4.802 -6.298) 8.087 11.850 ( 4.020 -6.282 2.389) 7.831 11.850 ( 4.020 6.282 2.389) 7.831 12.486 ( 4.519 -5.918 -3.058) 8.050 12.486 ( 4.519 5.918 -3.058) 8.050 14.823 ( 1.751 -0.962 1.614) 2.568 14.823 ( 1.751 0.962 1.614) 2.568 15.018 ( -1.081 -4.147 -2.008) 4.732 15.018 ( -1.081 4.147 -2.008) 4.732 22.545 ( -5.762 -9.143 9.292) 14.252 22.545 ( -5.762 9.143 9.292) 14.252 24.176 ( -4.057 -5.127 -7.760) 10.147 24.176 ( -4.057 5.127 -7.760) 10.147 26.309 ( 5.711 -5.751 -0.864) 8.150 26.309 ( 5.711 5.751 -0.864) 8.150 28.723 ( 0.340 -2.487 0.048) 2.511 28.723 ( 0.340 2.487 0.048) 2.511 ======================= Grid point 197 (104/145) ======================= q-point: (-0.25 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.838 ( -0.791 -10.387 0.064) 10.417 1.838 ( -0.791 10.387 0.064) 10.417 2.129 ( -12.182 -12.661 2.282) 17.717 2.129 ( -12.182 12.661 2.282) 17.717 2.364 ( -6.179 -2.832 7.164) 9.876 2.364 ( -6.179 2.832 7.164) 9.876 2.674 ( -8.700 -2.241 0.349) 8.990 2.674 ( -8.700 2.241 0.349) 8.990 3.099 ( 1.047 -3.658 2.877) 4.770 3.099 ( 1.047 3.658 2.877) 4.770 3.372 ( 3.339 -1.206 -2.740) 4.484 3.372 ( 3.339 1.206 -2.740) 4.484 3.612 ( -0.249 -3.038 -2.754) 4.108 3.612 ( -0.249 3.038 -2.754) 4.108 4.073 ( 3.735 -4.539 -3.671) 6.930 4.073 ( 3.735 4.539 -3.671) 6.930 4.531 ( 0.847 -3.893 -2.566) 4.739 4.531 ( 0.847 3.893 -2.566) 4.739 5.985 ( 0.761 -3.562 -2.366) 4.343 5.985 ( 0.761 3.562 -2.366) 4.343 6.511 ( 5.892 -2.150 -8.054) 10.208 6.511 ( 5.892 2.150 -8.054) 10.208 7.022 ( -0.175 -5.261 -0.357) 5.276 7.022 ( -0.175 5.261 -0.357) 5.276 8.676 ( -1.977 -8.187 19.965) 21.669 8.676 ( -1.977 8.187 19.965) 21.669 10.209 ( -0.459 -4.692 0.492) 4.740 10.209 ( -0.459 4.692 0.492) 4.740 10.817 ( -0.181 -6.873 7.418) 10.114 10.817 ( -0.181 6.873 7.418) 10.114 11.164 ( -1.762 -7.326 -4.648) 8.853 11.164 ( -1.762 7.326 -4.648) 8.853 11.910 ( 1.533 -4.032 -1.949) 4.734 11.910 ( 1.533 4.032 -1.949) 4.734 12.509 ( 1.680 -3.122 -7.796) 8.564 12.509 ( 1.680 3.122 -7.796) 8.564 14.881 ( 2.958 -1.440 0.711) 3.366 14.881 ( 2.958 1.440 0.711) 3.366 15.004 ( 0.214 -3.165 1.309) 3.432 15.004 ( 0.214 3.165 1.309) 3.432 22.464 ( -7.926 -7.750 7.150) 13.191 22.464 ( -7.926 7.750 7.150) 13.191 24.077 ( -2.127 -3.417 -2.624) 4.805 24.077 ( -2.127 3.417 -2.624) 4.805 26.413 ( 5.742 -7.699 -2.627) 9.957 26.413 ( 5.742 7.699 -2.627) 9.957 28.730 ( 0.352 -2.646 -0.053) 2.669 28.730 ( 0.352 2.646 -0.053) 2.669 ======================= Grid point 199 (105/145) ======================= q-point: (-0.12 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.812 ( -2.729 -4.670 -0.845) 5.475 1.812 ( -2.729 4.670 -0.845) 5.475 1.900 ( -9.671 -7.395 0.314) 12.179 1.900 ( -9.671 7.395 0.314) 12.179 2.334 ( -3.130 -1.116 8.399) 9.032 2.334 ( -3.130 1.116 8.399) 9.032 2.582 ( -1.734 -3.847 6.257) 7.547 2.582 ( -1.734 3.847 6.257) 7.547 3.148 ( 1.033 -4.175 4.070) 5.922 3.148 ( 1.033 4.175 4.070) 5.922 3.412 ( 2.484 -0.245 -2.974) 3.882 3.412 ( 2.484 0.245 -2.974) 3.882 3.584 ( -0.693 -1.894 -2.368) 3.110 3.584 ( -0.693 1.894 -2.368) 3.110 4.110 ( 2.578 -3.039 -5.669) 6.930 4.110 ( 2.578 3.039 -5.669) 6.930 4.535 ( 0.949 -1.738 0.174) 1.987 4.535 ( 0.949 1.738 0.174) 1.987 5.979 ( 0.667 -4.866 -3.547) 6.059 5.979 ( 0.667 4.866 -3.547) 6.059 6.547 ( 3.529 -3.948 -8.581) 10.083 6.547 ( 3.529 3.948 -8.581) 10.083 7.023 ( 0.273 -6.385 0.105) 6.391 7.023 ( 0.273 6.385 0.105) 6.391 8.772 ( -2.988 -7.242 21.337) 22.730 8.772 ( -2.988 7.242 21.337) 22.730 10.235 ( 2.521 -5.798 1.840) 6.584 10.235 ( 2.521 5.798 1.840) 6.584 10.882 ( 0.402 -3.802 9.211) 9.973 10.882 ( 0.402 3.802 9.211) 9.973 11.103 ( -1.123 -7.551 -3.936) 8.589 11.103 ( -1.123 7.551 -3.936) 8.589 11.880 ( -1.562 -3.880 -5.760) 7.119 11.880 ( -1.562 3.880 -5.760) 7.119 12.447 ( -1.161 -0.812 -11.971) 12.054 12.447 ( -1.161 0.812 -11.971) 12.054 14.912 ( 0.442 -2.339 -1.728) 2.942 14.912 ( 0.442 2.339 -1.728) 2.942 15.065 ( 3.317 -1.147 5.707) 6.700 15.065 ( 3.317 1.147 5.707) 6.700 22.361 ( -6.498 -4.895 5.252) 9.684 22.361 ( -6.498 4.895 5.252) 9.684 24.066 ( 1.236 -1.310 1.499) 2.343 24.066 ( 1.236 1.310 1.499) 2.343 26.479 ( 3.093 -8.586 -3.876) 9.915 26.479 ( 3.093 8.586 -3.876) 9.915 28.733 ( 0.028 -1.608 -0.209) 1.621 28.733 ( 0.028 1.608 -0.209) 1.621 ======================= Grid point 225 (106/145) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 145 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( -0.242 0.000 19.230) 19.232 1.300 ( -1.146 0.000 13.239) 13.288 1.586 ( -1.401 0.000 -18.532) 18.585 1.712 ( 3.956 0.000 -7.870) 8.808 2.147 ( 6.020 0.000 21.720) 22.539 2.372 ( 1.338 0.000 1.156) 1.768 2.445 ( -1.060 0.000 5.021) 5.132 2.600 ( -0.730 0.000 -5.188) 5.239 2.722 ( -5.285 0.000 -2.853) 6.006 3.017 ( 3.286 0.000 -0.377) 3.307 3.257 ( 1.622 0.000 -1.515) 2.220 3.306 ( 0.072 0.000 -1.334) 1.335 3.633 ( 1.292 0.000 -3.612) 3.836 3.656 ( -0.187 0.000 0.537) 0.568 3.961 ( 0.730 0.000 -2.531) 2.634 4.310 ( -1.936 0.000 -1.163) 2.259 4.515 ( -1.356 0.000 -0.271) 1.382 4.900 ( 2.019 0.000 -0.172) 2.026 5.294 ( -2.482 0.000 0.825) 2.616 5.681 ( 2.828 0.000 -1.065) 3.022 6.162 ( 0.450 0.000 -2.247) 2.292 6.377 ( 0.346 0.000 2.341) 2.366 6.613 ( 0.197 0.000 -0.111) 0.227 6.951 ( 0.676 0.000 -2.476) 2.566 8.735 ( -3.385 0.000 7.770) 8.475 9.430 ( -3.781 0.000 5.219) 6.444 9.551 ( -1.899 0.000 -1.481) 2.409 10.087 ( -0.273 0.000 -0.586) 0.647 10.849 ( -2.542 0.000 -0.420) 2.576 10.917 ( 3.635 0.000 5.994) 7.011 11.188 ( -2.252 0.000 -4.726) 5.235 11.440 ( 3.660 0.000 0.037) 3.660 11.876 ( 3.245 0.000 -0.293) 3.258 12.114 ( -2.175 0.000 8.890) 9.152 12.324 ( -1.047 0.000 -2.994) 3.171 12.492 ( -2.414 0.000 -14.576) 14.775 14.729 ( 0.001 0.000 0.358) 0.358 14.873 ( -0.028 0.000 -0.336) 0.337 15.000 ( 0.951 0.000 0.968) 1.357 15.555 ( 3.173 0.000 1.714) 3.607 22.768 ( 3.814 0.000 4.490) 5.891 23.034 ( -11.344 0.000 -2.913) 11.712 24.371 ( 1.093 0.000 0.737) 1.319 24.877 ( -0.006 0.000 -0.752) 0.752 25.120 ( -0.095 0.000 0.430) 0.441 25.675 ( 6.590 0.000 -0.661) 6.623 28.679 ( -0.772 0.000 -0.786) 1.102 28.854 ( 1.580 0.000 0.603) 1.691 ======================= Grid point 226 (107/145) ======================= q-point: ( 0.12 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.353 ( -0.553 0.000 7.422) 7.443 1.416 ( 16.715 0.000 15.160) 22.566 1.557 ( 9.120 0.000 -13.264) 16.097 1.708 ( 1.967 0.000 -11.025) 11.199 2.219 ( -3.495 0.000 -2.516) 4.306 2.463 ( -0.644 0.000 4.996) 5.037 2.471 ( 4.104 0.000 -5.317) 6.717 2.545 ( -2.188 0.000 -1.557) 2.685 2.671 ( 2.226 0.000 9.844) 10.092 3.093 ( 6.239 0.000 -5.221) 8.135 3.285 ( 2.996 0.000 -2.797) 4.099 3.310 ( 1.043 0.000 -0.552) 1.180 3.586 ( -2.625 0.000 -3.169) 4.115 3.646 ( -1.108 0.000 0.485) 1.209 3.922 ( -3.051 0.000 -2.557) 3.981 4.255 ( -5.849 0.000 1.985) 6.177 4.491 ( -0.316 0.000 2.249) 2.271 4.927 ( 1.440 0.000 -3.134) 3.449 5.274 ( -1.167 0.000 3.438) 3.631 5.737 ( 4.667 0.000 -4.156) 6.249 6.138 ( -1.371 0.000 -1.616) 2.119 6.331 ( -5.592 0.000 -0.086) 5.593 6.582 ( -3.097 0.000 -0.216) 3.104 6.870 ( -7.041 0.000 -2.483) 7.466 8.682 ( -7.389 0.000 8.805) 11.495 9.424 ( -1.853 0.000 8.803) 8.996 9.556 ( 1.767 0.000 3.034) 3.512 10.102 ( 1.867 0.000 0.268) 1.886 10.903 ( 5.420 0.000 3.983) 6.726 10.938 ( -2.162 0.000 -5.091) 5.531 11.179 ( 2.353 0.000 2.966) 3.785 11.482 ( 3.342 0.000 -6.037) 6.900 11.872 ( -1.152 0.000 -6.028) 6.137 12.144 ( -0.210 0.000 8.931) 8.933 12.356 ( -0.888 0.000 -7.923) 7.972 12.376 ( 1.912 0.000 6.290) 6.574 14.734 ( 0.339 0.000 0.145) 0.369 14.865 ( -0.600 0.000 -0.086) 0.606 15.003 ( -0.510 0.000 -1.401) 1.491 15.548 ( -2.687 0.000 -4.473) 5.218 22.679 ( -9.718 0.000 -0.551) 9.733 23.086 ( 7.816 0.000 13.723) 15.793 24.370 ( -0.512 0.000 -2.643) 2.692 24.881 ( 0.709 0.000 -0.252) 0.752 25.118 ( -0.420 0.000 0.334) 0.536 25.645 ( -4.868 0.000 -10.842) 11.884 28.677 ( 0.353 0.000 1.007) 1.067 28.878 ( 1.503 0.000 -2.309) 2.755 ======================= Grid point 227 (108/145) ======================= q-point: ( 0.25 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 145 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( 0.252 0.000 2.251) 2.265 1.636 ( -1.278 0.000 -12.098) 12.165 1.644 ( 2.680 0.000 -11.128) 11.447 1.842 ( 18.202 0.000 4.368) 18.719 2.121 ( 1.698 0.000 -5.807) 6.050 2.475 ( -0.319 0.000 -0.260) 0.412 2.485 ( 3.039 0.000 -2.003) 3.640 2.517 ( -1.562 0.000 5.908) 6.111 2.853 ( 6.904 0.000 7.213) 9.985 3.171 ( 6.509 0.000 -9.001) 11.107 3.331 ( 4.409 0.000 -6.197) 7.606 3.339 ( 2.057 0.000 0.391) 2.094 3.526 ( -0.572 0.000 -3.611) 3.656 3.619 ( -1.937 0.000 0.099) 1.940 3.833 ( -4.088 0.000 1.096) 4.232 4.109 ( -9.549 0.000 1.019) 9.603 4.514 ( -1.657 0.000 5.387) 5.636 4.903 ( -0.674 0.000 -5.543) 5.584 5.290 ( 0.235 0.000 3.885) 3.892 5.801 ( 4.800 0.000 -4.299) 6.443 6.105 ( -0.830 0.000 -0.757) 1.123 6.179 ( -8.475 0.000 -2.905) 8.959 6.503 ( -4.736 0.000 0.206) 4.741 6.666 ( -11.317 0.000 -3.812) 11.941 8.594 ( -7.529 0.000 9.269) 11.942 9.463 ( -1.194 0.000 10.451) 10.519 9.649 ( 4.088 0.000 6.711) 7.858 10.152 ( 2.641 0.000 0.801) 2.760 10.821 ( -3.862 0.000 -9.285) 10.057 11.031 ( 2.869 0.000 5.697) 6.379 11.263 ( 2.891 0.000 4.197) 5.096 11.528 ( 5.523 0.000 -5.814) 8.019 11.775 ( -2.104 0.000 -10.695) 10.900 12.172 ( -1.077 0.000 1.291) 1.681 12.355 ( 3.575 0.000 5.759) 6.779 12.508 ( 3.978 0.000 10.047) 10.805 14.744 ( 0.621 0.000 0.011) 0.621 14.849 ( -0.966 0.000 0.083) 0.969 14.966 ( -1.564 0.000 -3.157) 3.523 15.420 ( -5.600 0.000 -7.430) 9.304 22.507 ( -8.045 0.000 1.193) 8.133 23.362 ( 7.914 0.000 18.706) 20.311 24.319 ( -0.823 0.000 -7.900) 7.943 24.899 ( 1.116 0.000 0.082) 1.119 25.110 ( -0.590 0.000 0.301) 0.662 25.395 ( -9.676 0.000 -16.595) 19.210 28.697 ( 0.612 0.000 1.693) 1.800 28.886 ( 1.247 0.000 -2.681) 2.957 ======================= Grid point 228 (109/145) ======================= q-point: ( 0.38 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( 0.874 0.000 0.548) 1.031 1.427 ( -9.803 0.000 -21.486) 23.616 1.507 ( -3.868 0.000 -10.094) 10.809 2.140 ( 8.973 0.000 4.685) 10.122 2.239 ( 7.530 0.000 4.824) 8.943 2.462 ( -0.498 0.000 -0.345) 0.605 2.548 ( 0.320 0.000 5.015) 5.025 2.575 ( 6.047 0.000 -2.539) 6.559 2.971 ( 1.123 0.000 2.620) 2.851 3.218 ( 4.733 0.000 -9.651) 10.750 3.344 ( 1.801 0.000 -6.287) 6.540 3.394 ( 2.974 0.000 1.323) 3.255 3.529 ( 3.318 0.000 -5.014) 6.012 3.573 ( -2.680 0.000 -0.769) 2.788 3.839 ( 1.046 0.000 6.867) 6.946 3.934 ( -6.224 0.000 -1.907) 6.510 4.471 ( -5.970 0.000 4.763) 7.637 4.841 ( -1.295 0.000 -6.438) 6.567 5.337 ( 2.301 0.000 2.829) 3.647 5.839 ( -0.064 0.000 -1.720) 1.721 6.010 ( -4.854 0.000 -4.498) 6.618 6.109 ( 1.865 0.000 -0.223) 1.879 6.420 ( -3.656 0.000 0.263) 3.665 6.420 ( -10.113 0.000 -5.060) 11.309 8.532 ( -5.088 0.000 9.077) 10.406 9.509 ( -1.378 0.000 10.211) 10.304 9.782 ( 4.047 0.000 7.939) 8.911 10.205 ( 1.999 0.000 1.133) 2.298 10.684 ( -3.680 0.000 -9.443) 10.135 11.095 ( 1.112 0.000 5.439) 5.551 11.332 ( 1.827 0.000 2.676) 3.240 11.509 ( -4.066 0.000 -7.957) 8.936 11.727 ( 3.825 0.000 -7.441) 8.366 12.182 ( 0.591 0.000 3.620) 3.668 12.500 ( 5.908 0.000 6.867) 9.059 12.641 ( 3.651 0.000 6.587) 7.531 14.757 ( 0.585 0.000 0.081) 0.590 14.832 ( -0.818 0.000 0.022) 0.818 14.910 ( -1.818 0.000 -3.177) 3.660 15.264 ( -5.005 0.000 -6.629) 8.306 22.394 ( -4.740 0.000 2.235) 5.241 23.579 ( 0.992 0.000 17.027) 17.056 24.261 ( 2.423 0.000 -10.975) 11.239 24.921 ( 0.979 0.000 0.054) 0.980 25.101 ( -0.506 0.000 0.350) 0.616 25.118 ( -7.161 0.000 -14.797) 16.439 28.719 ( 0.473 0.000 1.441) 1.516 28.889 ( 0.607 0.000 -1.801) 1.901 ======================= Grid point 229 (110/145) ======================= q-point: (-0.50 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 145 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( -9.096 0.000 -11.452) 14.625 1.340 ( -8.414 0.000 3.115) 8.972 1.456 ( 4.817 0.000 -6.342) 7.964 2.245 ( 1.002 0.000 4.456) 4.567 2.431 ( 6.283 0.000 6.041) 8.717 2.452 ( -0.589 0.000 0.507) 0.777 2.566 ( -5.715 0.000 -6.547) 8.690 2.588 ( 1.542 0.000 1.354) 2.052 2.964 ( -1.321 0.000 1.927) 2.336 3.196 ( -2.009 0.000 -4.331) 4.775 3.334 ( -2.160 0.000 -1.388) 2.567 3.466 ( 3.039 0.000 1.699) 3.481 3.509 ( -2.695 0.000 -1.597) 3.132 3.526 ( -2.096 0.000 -2.526) 3.282 3.828 ( 1.693 0.000 1.611) 2.337 3.994 ( 7.082 0.000 -4.541) 8.412 4.409 ( -0.699 0.000 3.060) 3.139 4.783 ( -0.392 0.000 -4.690) 4.706 5.404 ( 2.937 0.000 -0.302) 2.952 5.784 ( -2.199 0.000 0.051) 2.200 5.946 ( -1.902 0.000 -0.796) 2.062 6.181 ( 5.451 0.000 -0.543) 5.478 6.243 ( -3.876 0.000 -4.682) 6.078 6.384 ( 0.336 0.000 -0.337) 0.476 8.523 ( -1.932 0.000 7.973) 8.203 9.542 ( -1.864 0.000 8.614) 8.813 9.885 ( 1.417 0.000 5.223) 5.411 10.241 ( 0.911 0.000 1.006) 1.358 10.566 ( -2.601 0.000 -5.929) 6.474 11.179 ( 3.541 0.000 7.276) 8.092 11.353 ( -4.602 0.000 -9.357) 10.428 11.368 ( 0.747 0.000 0.818) 1.108 11.738 ( 0.282 0.000 -3.770) 3.781 12.206 ( -2.309 0.000 5.624) 6.079 12.648 ( 6.427 0.000 0.293) 6.434 12.721 ( 1.827 0.000 0.570) 1.914 14.762 ( -0.362 0.000 0.413) 0.549 14.825 ( 0.360 0.000 -0.338) 0.494 14.864 ( -1.183 0.000 -1.099) 1.614 15.159 ( -2.346 0.000 -2.495) 3.425 22.359 ( -0.624 0.000 2.663) 2.735 23.652 ( -0.361 0.000 9.398) 9.405 24.268 ( 3.583 0.000 -8.193) 8.943 24.933 ( -4.527 0.000 -7.080) 8.403 24.933 ( 0.380 0.000 -0.318) 0.495 25.096 ( -0.215 0.000 0.455) 0.503 28.727 ( -0.883 0.000 1.702) 1.917 28.891 ( 1.074 0.000 -1.975) 2.248 ======================= Grid point 230 (111/145) ======================= q-point: (-0.38 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( -0.415 0.000 13.776) 13.782 1.220 ( -7.937 0.000 9.995) 12.763 1.524 ( 5.529 0.000 -4.305) 7.007 2.256 ( -7.611 0.000 -5.488) 9.384 2.291 ( -12.219 0.000 1.854) 12.358 2.445 ( -0.845 0.000 1.307) 1.556 2.508 ( -2.101 0.000 2.959) 3.629 2.622 ( 2.182 0.000 -2.236) 3.125 2.978 ( 0.393 0.000 3.469) 3.491 3.084 ( -8.846 0.000 0.661) 8.871 3.234 ( -5.386 0.000 3.605) 6.482 3.433 ( -2.822 0.000 -2.314) 3.649 3.475 ( -1.282 0.000 -0.722) 1.472 3.546 ( 3.101 0.000 1.717) 3.544 3.912 ( 3.188 0.000 -1.510) 3.528 4.052 ( 7.359 0.000 -10.270) 12.635 4.522 ( 8.466 0.000 2.493) 8.825 4.763 ( 0.117 0.000 -2.094) 2.097 5.419 ( 0.840 0.000 -5.018) 5.088 5.781 ( -2.898 0.000 3.924) 4.878 5.935 ( 3.364 0.000 2.542) 4.216 6.157 ( -0.044 0.000 -5.176) 5.176 6.367 ( 11.810 0.000 0.528) 11.822 6.424 ( 3.617 0.000 -0.304) 3.629 8.562 ( 0.885 0.000 6.395) 6.456 9.551 ( -2.429 0.000 6.160) 6.621 9.886 ( -2.906 0.000 -0.868) 3.033 10.240 ( -1.026 0.000 -1.862) 2.126 10.535 ( 0.762 0.000 3.358) 3.443 11.230 ( -1.593 0.000 -7.733) 7.896 11.335 ( 6.513 0.000 9.161) 11.240 11.372 ( -0.302 0.000 -1.141) 1.180 11.669 ( -5.964 0.000 -2.195) 6.355 12.162 ( -5.034 0.000 4.282) 6.609 12.703 ( 0.394 0.000 -9.363) 9.371 12.741 ( 2.976 0.000 -3.740) 4.780 14.751 ( -0.970 0.000 0.585) 1.132 14.838 ( 1.188 0.000 -0.556) 1.312 14.857 ( 0.302 0.000 1.766) 1.792 15.149 ( 0.962 0.000 3.773) 3.893 22.399 ( 2.904 0.000 2.139) 3.607 23.757 ( 6.459 0.000 3.193) 7.205 24.232 ( -1.411 0.000 -9.688) 9.791 24.864 ( -1.496 0.000 7.009) 7.167 24.930 ( -0.332 0.000 -0.818) 0.883 25.099 ( 0.112 0.000 0.554) 0.565 28.714 ( -1.338 0.000 1.883) 2.310 28.896 ( 0.475 0.000 -2.411) 2.457 ======================= Grid point 231 (112/145) ======================= q-point: (-0.25 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 145 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.183 ( -5.109 0.000 16.239) 17.024 1.221 ( 3.679 0.000 25.911) 26.171 1.602 ( 5.394 0.000 -4.172) 6.819 1.841 ( -22.277 0.000 4.285) 22.686 2.174 ( -8.911 0.000 -7.595) 11.709 2.435 ( -4.519 0.000 2.022) 4.950 2.438 ( -1.053 0.000 2.352) 2.577 2.640 ( 2.132 0.000 -4.951) 5.391 2.928 ( -7.461 0.000 3.773) 8.361 2.995 ( -2.339 0.000 5.349) 5.838 3.213 ( -0.146 0.000 2.637) 2.641 3.370 ( -2.043 0.000 -2.424) 3.170 3.483 ( 2.893 0.000 0.017) 2.893 3.608 ( 2.178 0.000 1.240) 2.507 3.918 ( 1.976 0.000 -5.278) 5.635 4.185 ( 10.507 0.000 -6.219) 12.209 4.653 ( 2.766 0.000 -7.708) 8.189 4.765 ( 0.854 0.000 7.319) 7.369 5.394 ( 0.595 0.000 -6.114) 6.143 5.703 ( -6.237 0.000 5.046) 8.023 6.103 ( 9.195 0.000 4.208) 10.113 6.144 ( 1.860 0.000 -4.801) 5.149 6.503 ( 4.284 0.000 0.170) 4.287 6.630 ( 14.250 0.000 0.155) 14.251 8.635 ( 2.319 0.000 5.296) 5.782 9.531 ( -3.016 0.000 3.680) 4.758 9.779 ( -5.447 0.000 -4.911) 7.334 10.185 ( -2.606 0.000 -2.752) 3.790 10.627 ( 3.771 0.000 8.982) 9.741 11.171 ( -0.435 0.000 -7.838) 7.850 11.340 ( -1.474 0.000 -3.167) 3.494 11.468 ( -9.867 0.000 -0.833) 9.903 11.553 ( 6.225 0.000 10.965) 12.609 12.104 ( -3.279 0.000 4.082) 5.237 12.597 ( -3.286 0.000 -11.889) 12.334 12.729 ( 0.890 0.000 -11.460) 11.494 14.737 ( -0.781 0.000 0.596) 0.983 14.857 ( 1.089 0.000 -0.598) 1.243 14.897 ( 1.786 0.000 3.329) 3.778 15.246 ( 4.424 0.000 9.024) 10.050 22.493 ( 5.146 0.000 2.488) 5.716 23.759 ( -6.016 0.000 -18.754) 19.695 24.203 ( 4.470 0.000 2.069) 4.925 24.912 ( -0.741 0.000 -1.153) 1.371 25.019 ( 8.944 0.000 19.720) 21.653 25.107 ( 0.281 0.000 0.587) 0.651 28.711 ( -0.110 0.000 1.073) 1.078 28.866 ( -2.036 0.000 -1.472) 2.513 ======================= Grid point 232 (113/145) ======================= q-point: (-0.12 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( -17.910 0.000 15.380) 23.608 1.228 ( -2.421 0.000 17.162) 17.332 1.670 ( 4.888 0.000 -5.347) 7.244 1.745 ( 2.433 0.000 3.435) 4.209 1.921 ( -7.617 0.000 7.064) 10.389 2.385 ( -2.853 0.000 2.839) 4.025 2.437 ( -1.142 0.000 3.718) 3.890 2.634 ( 1.147 0.000 -6.178) 6.284 2.830 ( -5.124 0.000 0.687) 5.170 2.984 ( -1.019 0.000 3.474) 3.621 3.236 ( 1.166 0.000 0.215) 1.186 3.326 ( -0.968 0.000 -2.003) 2.225 3.573 ( 5.830 0.000 -1.612) 6.049 3.645 ( 0.946 0.000 0.725) 1.192 3.940 ( 3.020 0.000 -3.578) 4.682 4.319 ( 5.495 0.000 -4.406) 7.043 4.564 ( -3.675 0.000 -4.938) 6.155 4.853 ( 1.950 0.000 4.549) 4.949 5.350 ( -1.872 0.000 -3.444) 3.920 5.655 ( -1.335 0.000 3.185) 3.453 6.155 ( 1.979 0.000 -3.477) 4.001 6.288 ( 6.382 0.000 3.814) 7.435 6.578 ( 3.084 0.000 0.248) 3.093 6.866 ( 9.649 0.000 -1.674) 9.793 8.708 ( 0.975 0.000 5.929) 6.009 9.484 ( -4.013 0.000 2.748) 4.864 9.641 ( -4.876 0.000 -4.744) 6.803 10.120 ( -2.243 0.000 -1.681) 2.803 10.776 ( 4.809 0.000 9.318) 10.486 11.011 ( -9.951 0.000 -6.610) 11.946 11.274 ( -2.547 0.000 -4.965) 5.580 11.370 ( 0.223 0.000 4.254) 4.260 11.755 ( 7.229 0.000 5.449) 9.053 12.095 ( -1.908 0.000 7.152) 7.402 12.439 ( -4.311 0.000 -11.425) 12.212 12.631 ( -1.379 0.000 -14.917) 14.980 14.730 ( -0.384 0.000 0.526) 0.651 14.870 ( 0.594 0.000 -0.529) 0.796 14.957 ( 2.007 0.000 2.851) 3.486 15.419 ( 6.486 0.000 8.210) 10.463 22.625 ( 6.118 0.000 4.217) 7.430 23.392 ( -15.826 0.000 -16.584) 22.923 24.316 ( 3.769 0.000 2.275) 4.402 24.890 ( -0.607 0.000 -1.126) 1.279 25.116 ( 0.195 0.000 0.535) 0.569 25.404 ( 15.618 0.000 13.451) 20.612 28.708 ( -0.657 0.000 -1.460) 1.601 28.830 ( -0.860 0.000 1.868) 2.056 ======================= Grid point 233 (114/145) ======================= q-point: ( 0.00 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( 0.222 5.833 16.943) 17.921 1.366 ( 1.707 3.864 8.086) 9.123 1.603 ( -1.051 2.498 -16.609) 16.829 1.913 ( 1.416 16.007 -2.264) 16.229 2.256 ( -2.254 1.810 12.533) 12.862 2.363 ( 7.968 7.672 6.804) 12.986 2.464 ( -0.938 2.801 1.678) 3.397 2.639 ( -2.022 2.742 -2.814) 4.418 2.845 ( -3.216 9.412 0.694) 9.970 3.000 ( 2.491 -0.738 -1.352) 2.928 3.192 ( 1.300 -4.796 -1.005) 5.070 3.396 ( 0.449 7.736 -1.612) 7.915 3.593 ( 1.845 -3.284 -2.290) 4.408 3.726 ( -1.086 4.650 -0.768) 4.837 3.911 ( 1.131 -4.322 -3.415) 5.624 4.271 ( -2.112 -3.843 -1.000) 4.498 4.515 ( -1.137 0.042 -0.188) 1.153 4.817 ( 2.128 -6.373 0.224) 6.723 5.400 ( -1.515 8.570 -0.344) 8.709 5.842 ( 2.038 14.583 -0.811) 14.747 6.164 ( 0.463 0.474 -2.298) 2.392 6.330 ( 0.229 -4.063 1.625) 4.382 6.681 ( 0.426 6.239 0.075) 6.254 6.882 ( 0.390 -5.983 -2.435) 6.472 8.771 ( -3.105 3.497 8.456) 9.664 9.358 ( -2.615 -4.866 5.942) 8.113 9.666 ( -1.624 9.863 -2.329) 10.263 10.219 ( -1.001 10.565 -0.375) 10.619 10.797 ( -1.456 -3.165 0.775) 3.569 10.980 ( 2.898 4.209 6.568) 8.322 11.250 ( -1.757 4.731 -6.174) 7.974 11.405 ( 2.648 -2.702 -0.122) 3.786 11.812 ( 2.867 -5.824 0.078) 6.491 12.048 ( -1.616 -5.746 8.482) 10.372 12.270 ( -0.914 -4.843 -3.630) 6.121 12.422 ( -2.766 -6.173 -13.932) 15.487 14.728 ( 0.019 0.238 0.000) 0.239 14.881 ( -0.202 0.795 -0.206) 0.846 15.048 ( 0.935 3.853 1.001) 4.089 15.513 ( 2.862 -3.694 2.161) 5.149 22.716 ( 5.163 -4.934 5.016) 8.727 22.866 ( -11.039 -12.982 -1.995) 17.157 24.343 ( 0.733 -2.417 1.036) 2.730 24.651 ( 2.154 -15.646 0.479) 15.801 25.361 ( -0.657 19.700 0.311) 19.713 25.923 ( 3.983 17.517 -3.277) 18.261 28.677 ( -0.805 -0.142 -0.736) 1.100 28.840 ( 1.342 -1.246 0.561) 1.915 ======================= Grid point 234 (115/145) ======================= q-point: ( 0.12 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( 3.900 3.162 5.158) 7.198 1.504 ( 15.874 4.340 0.771) 16.475 1.625 ( 10.257 5.920 -4.201) 12.566 1.909 ( -0.158 17.743 -4.599) 18.330 2.258 ( -1.460 -2.758 4.881) 5.793 2.396 ( -4.854 3.847 -5.771) 8.465 2.500 ( 1.110 2.052 -0.334) 2.357 2.636 ( 1.725 8.185 1.365) 8.476 2.823 ( 0.837 10.329 6.690) 12.335 3.072 ( 6.482 -1.822 -5.059) 8.422 3.218 ( 2.572 -4.366 -2.189) 5.519 3.402 ( 0.929 6.955 -0.867) 7.070 3.561 ( -1.704 -1.833 -4.011) 4.728 3.703 ( -1.500 3.567 1.940) 4.329 3.876 ( -2.403 -3.701 -3.641) 5.721 4.211 ( -5.729 -4.235 2.041) 7.411 4.487 ( -1.054 -0.166 1.883) 2.165 4.859 ( 2.493 -5.370 -3.094) 6.680 5.387 ( -0.397 9.304 2.068) 9.539 5.880 ( 3.219 13.002 -3.243) 13.782 6.141 ( -1.315 0.530 -1.690) 2.206 6.291 ( -4.553 -3.374 -0.111) 5.668 6.651 ( -3.274 6.000 -0.647) 6.866 6.819 ( -5.207 -4.185 -1.821) 6.924 8.722 ( -7.546 3.705 8.527) 11.974 9.360 ( -1.785 -4.698 7.160) 8.748 9.659 ( 1.061 9.230 2.339) 9.580 10.218 ( 0.471 9.405 1.567) 9.546 10.862 ( 5.569 -2.159 2.214) 6.370 10.996 ( -2.728 3.519 -2.637) 5.175 11.225 ( 1.290 3.385 0.428) 3.648 11.458 ( 4.657 -1.617 -3.757) 6.198 11.818 ( -0.306 -5.066 -5.552) 7.522 12.078 ( -0.160 -5.972 7.913) 9.915 12.281 ( -2.205 -6.542 -8.603) 11.030 12.322 ( 2.800 -4.780 7.367) 9.217 14.730 ( 0.207 -0.046 -0.011) 0.213 14.870 ( -0.906 0.580 0.256) 1.106 15.047 ( -0.834 3.552 -1.339) 3.887 15.511 ( -2.325 -3.344 -3.932) 5.662 22.619 ( -8.847 -5.419 -0.059) 10.375 22.960 ( 8.990 -10.048 11.195) 17.525 24.333 ( -1.289 -3.147 -2.096) 3.994 24.694 ( 3.113 -13.144 -3.094) 13.857 25.344 ( -1.450 18.806 1.244) 18.903 25.866 ( -5.526 16.205 -7.716) 18.780 28.673 ( 0.203 -0.300 1.033) 1.095 28.860 ( 1.218 -1.578 -1.910) 2.760 ======================= Grid point 235 (116/145) ======================= q-point: ( 0.25 0.12 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.414 ( 2.453 2.516 -6.025) 6.975 1.766 ( 9.881 8.173 -10.326) 16.463 1.837 ( -1.116 16.699 -6.375) 17.910 1.926 ( 13.478 8.292 10.209) 18.832 2.220 ( -3.355 9.481 -8.036) 12.873 2.336 ( 5.073 -6.738 3.621) 9.178 2.486 ( -0.669 0.168 -0.465) 0.832 2.660 ( 0.115 8.695 2.250) 8.982 2.936 ( 4.000 5.974 5.439) 9.015 3.150 ( 5.967 -1.914 -8.846) 10.841 3.261 ( 3.988 -3.453 -4.302) 6.807 3.413 ( 0.527 2.478 -0.792) 2.654 3.532 ( 2.137 2.864 -4.100) 5.438 3.687 ( -1.447 4.098 1.994) 4.781 3.791 ( -3.498 -3.032 -0.926) 4.721 4.070 ( -9.375 -3.684 1.117) 10.134 4.490 ( -2.251 -1.882 4.558) 5.421 4.856 ( 0.241 -4.004 -5.396) 6.724 5.410 ( 0.880 10.149 3.077) 10.642 5.915 ( 2.209 9.472 -3.309) 10.274 6.103 ( -1.344 -0.006 -1.230) 1.822 6.181 ( -4.925 1.446 -2.123) 5.555 6.552 ( -6.459 2.787 -1.150) 7.128 6.673 ( -7.768 2.300 -2.195) 8.393 8.621 ( -8.176 2.691 8.575) 12.150 9.381 ( -1.427 -6.060 7.785) 9.969 9.736 ( 3.736 7.307 6.182) 10.274 10.250 ( 1.002 8.081 2.747) 8.594 10.840 ( -4.521 1.183 -8.160) 9.404 11.032 ( 4.195 -0.029 4.750) 6.337 11.245 ( 0.707 -1.225 -1.213) 1.863 11.555 ( 5.391 2.141 -0.671) 5.840 11.751 ( 0.274 -2.420 -9.953) 10.247 12.083 ( -2.053 -7.797 -1.199) 8.152 12.284 ( 3.434 -6.346 8.021) 10.789 12.458 ( 4.356 -4.398 9.527) 11.362 14.737 ( 0.602 -0.319 -0.026) 0.682 14.851 ( -1.392 0.303 0.541) 1.524 15.003 ( -2.031 2.863 -3.092) 4.677 15.396 ( -4.993 -2.220 -6.991) 8.873 22.476 ( -6.452 -2.567 1.286) 7.062 23.230 ( 8.758 -11.056 15.134) 20.687 24.269 ( -1.952 -3.780 -7.091) 8.269 24.724 ( 2.879 -11.547 -5.742) 13.213 25.328 ( -1.064 18.175 1.592) 18.276 25.648 ( -9.769 17.991 -9.287) 22.480 28.690 ( 0.524 -0.601 1.552) 1.744 28.867 ( 0.966 -1.737 -2.180) 2.950 ======================= Grid point 236 (117/145) ======================= q-point: ( 0.38 0.12 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.358 ( -2.134 2.430 -13.893) 14.264 1.684 ( -4.477 19.223 -2.044) 19.843 1.808 ( -2.391 20.593 -11.216) 23.571 2.180 ( 7.275 3.228 5.404) 9.620 2.200 ( 3.870 -2.060 1.948) 4.797 2.470 ( 0.754 -1.410 -0.029) 1.599 2.537 ( 7.321 4.591 3.810) 9.444 2.695 ( 2.477 7.334 1.741) 7.934 2.987 ( -1.672 0.934 0.688) 2.035 3.188 ( 4.353 -2.692 -8.682) 10.078 3.311 ( 5.502 -1.988 -6.432) 8.694 3.413 ( -0.463 0.737 0.930) 1.273 3.544 ( -0.222 3.074 -2.532) 3.988 3.687 ( 1.796 7.982 -2.862) 8.668 3.797 ( 3.064 -3.808 5.126) 7.083 3.893 ( -7.968 -3.527 -0.782) 8.749 4.439 ( -5.543 -2.490 3.930) 7.237 4.807 ( -1.065 -3.087 -5.978) 6.812 5.462 ( 2.533 10.921 2.532) 11.493 5.888 ( -3.480 2.871 -1.673) 4.811 6.086 ( 1.436 5.754 -2.754) 6.539 6.124 ( 0.302 4.323 -0.979) 4.443 6.385 ( -8.452 -0.574 -3.532) 9.178 6.537 ( -4.660 8.140 -1.087) 9.442 8.543 ( -5.678 1.201 8.476) 10.273 9.405 ( -1.611 -7.788 7.803) 11.142 9.868 ( 4.537 6.519 7.850) 11.168 10.282 ( 0.288 6.378 2.281) 6.780 10.699 ( -4.135 1.336 -7.281) 8.479 11.115 ( 1.910 0.276 3.868) 4.323 11.247 ( 0.857 -4.553 -2.146) 5.106 11.525 ( -4.483 0.672 -6.968) 8.313 11.779 ( 5.115 3.815 -3.392) 7.226 12.063 ( 0.047 -10.843 2.162) 11.056 12.438 ( 5.620 -5.557 8.495) 11.602 12.596 ( 4.146 -4.029 5.762) 8.163 14.754 ( 1.052 -0.191 0.113) 1.075 14.826 ( -1.475 -0.110 0.506) 1.563 14.937 ( -2.316 2.040 -3.244) 4.477 15.255 ( -4.372 -0.959 -6.322) 7.746 22.389 ( -3.713 -0.126 2.254) 4.345 23.455 ( 3.281 -10.867 14.962) 18.780 24.181 ( -0.423 -5.052 -10.254) 11.439 24.720 ( 1.299 -11.044 -7.669) 13.508 25.328 ( 0.315 18.783 0.519) 18.792 25.426 ( -7.060 19.566 -5.367) 21.482 28.711 ( 0.573 -0.715 1.231) 1.535 28.867 ( 0.319 -1.964 -1.422) 2.446 ======================= Grid point 237 (118/145) ======================= q-point: (-0.50 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.178 ( -6.252 7.284 -8.581) 12.875 1.613 ( -5.267 20.469 2.717) 21.309 1.701 ( 0.198 20.581 -5.436) 21.287 2.239 ( 0.996 -2.566 2.355) 3.622 2.350 ( 3.633 -0.292 3.985) 5.400 2.469 ( -0.808 -0.489 -2.139) 2.338 2.636 ( 0.652 7.484 2.013) 7.777 2.719 ( -1.774 7.671 0.047) 7.874 2.940 ( -0.752 -1.840 0.249) 2.003 3.173 ( -1.890 -1.934 -3.318) 4.280 3.330 ( -6.072 -0.289 0.520) 6.101 3.433 ( 4.662 -2.295 -3.723) 6.393 3.507 ( -0.778 2.476 1.034) 2.793 3.673 ( -4.558 8.174 0.703) 9.385 3.806 ( 3.720 -1.247 -1.662) 4.261 3.940 ( 7.303 -4.970 -4.296) 9.823 4.383 ( -0.657 -1.963 2.650) 3.363 4.753 ( -0.441 -2.775 -4.285) 5.124 5.528 ( 2.691 11.026 -0.272) 11.353 5.815 ( -1.741 2.544 -0.109) 3.084 6.081 ( -1.771 12.145 -0.297) 12.277 6.181 ( 5.833 -0.744 -0.591) 5.910 6.229 ( -3.730 0.923 -4.667) 6.046 6.485 ( -0.035 8.327 -0.488) 8.341 8.522 ( -2.160 0.256 7.783) 8.081 9.421 ( -2.111 -8.987 7.215) 11.716 9.987 ( 2.219 6.913 5.255) 8.962 10.289 ( -0.330 4.004 0.794) 4.095 10.599 ( -2.295 3.183 -3.093) 4.997 11.173 ( 1.838 -5.458 1.403) 5.928 11.259 ( 1.382 -1.968 1.828) 3.020 11.383 ( -4.055 1.845 -7.967) 9.128 11.819 ( 0.597 5.334 -1.489) 5.570 12.079 ( -1.783 -11.643 4.479) 12.601 12.587 ( 5.637 -5.391 2.304) 8.133 12.677 ( 2.272 -3.859 -0.797) 4.548 14.771 ( -0.100 0.867 0.408) 0.964 14.811 ( 0.296 -1.013 0.108) 1.061 14.883 ( -1.401 1.462 -1.262) 2.386 15.161 ( -2.018 -0.036 -2.541) 3.245 22.364 ( -0.733 0.792 2.744) 2.949 23.558 ( -0.209 -9.163 9.992) 13.559 24.130 ( 0.913 -8.056 -7.531) 11.065 24.671 ( -1.332 -10.876 -6.090) 12.535 25.308 ( -2.030 20.584 -1.282) 20.723 25.358 ( 1.729 19.926 -0.515) 20.008 28.720 ( -0.807 -0.651 1.478) 1.805 28.867 ( 0.946 -2.151 -1.633) 2.861 ======================= Grid point 238 (119/145) ======================= q-point: (-0.38 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( -3.052 8.271 9.010) 12.605 1.536 ( -5.389 22.565 9.031) 24.895 1.728 ( 3.299 17.093 -0.996) 17.437 2.242 ( -4.881 -3.120 -0.738) 5.840 2.306 ( -8.450 4.524 -6.339) 11.492 2.415 ( -0.666 -0.827 4.670) 4.790 2.577 ( -5.877 5.059 0.411) 7.765 2.719 ( 0.462 7.125 -0.112) 7.141 2.975 ( 2.547 0.256 2.369) 3.487 3.061 ( -9.837 -2.322 1.681) 10.246 3.189 ( -5.728 -3.016 4.188) 7.710 3.446 ( -0.144 0.365 -1.554) 1.603 3.520 ( -1.425 3.838 -1.244) 4.279 3.627 ( 0.843 5.956 2.088) 6.367 3.882 ( 2.748 -2.025 -3.312) 4.757 4.014 ( 8.174 -3.452 -9.703) 13.148 4.478 ( 7.251 -3.486 2.242) 8.351 4.735 ( 0.156 -2.549 -1.614) 3.021 5.534 ( 0.002 10.066 -4.409) 10.989 5.842 ( 1.970 4.242 2.791) 5.447 6.035 ( -1.812 9.576 1.880) 9.926 6.163 ( 0.519 1.576 -4.891) 5.165 6.349 ( 10.574 -0.337 0.031) 10.579 6.525 ( 4.073 8.020 0.130) 8.996 8.561 ( 0.977 0.272 6.846) 6.921 9.420 ( -2.669 -9.268 6.193) 11.462 9.987 ( -3.169 6.164 -2.508) 7.370 10.298 ( 0.577 5.003 0.774) 5.096 10.581 ( 0.519 4.357 3.455) 5.585 11.177 ( -0.550 -9.895 -3.074) 10.376 11.278 ( -1.869 -0.714 -4.238) 4.686 11.364 ( 5.197 3.099 7.401) 9.560 11.774 ( -4.744 6.062 -1.890) 7.926 12.045 ( -3.887 -10.571 3.295) 11.735 12.656 ( 1.704 -4.425 -10.787) 11.783 12.676 ( 1.120 -5.359 -1.903) 5.796 14.754 ( -1.235 0.395 0.085) 1.300 14.837 ( 1.813 0.000 -0.386) 1.853 14.879 ( 0.792 1.737 2.151) 2.876 15.149 ( 0.683 -0.158 3.169) 3.245 22.393 ( 1.788 -0.242 2.335) 2.951 23.611 ( 0.087 -13.456 3.075) 13.803 24.097 ( 0.264 -7.069 -3.643) 7.957 24.607 ( -2.959 -11.287 0.881) 11.701 25.300 ( 0.593 20.175 2.155) 20.298 25.408 ( 4.752 23.745 -2.543) 24.349 28.706 ( -1.348 -0.725 1.684) 2.275 28.874 ( 0.606 -1.939 -2.043) 2.882 ======================= Grid point 239 (120/145) ======================= q-point: (-0.25 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( -0.189 4.594 17.102) 17.709 1.505 ( -10.065 14.445 14.138) 22.580 1.787 ( 3.036 14.964 -0.333) 15.273 1.961 ( -13.014 12.687 5.956) 19.125 2.218 ( -5.100 4.067 -7.023) 9.585 2.395 ( -8.533 -2.255 -3.028) 9.331 2.435 ( -0.654 0.149 3.927) 3.984 2.725 ( 1.287 6.548 -3.455) 7.514 2.913 ( -7.505 -2.340 8.559) 11.622 3.025 ( -0.616 3.194 3.988) 5.147 3.168 ( 0.068 -3.161 1.525) 3.510 3.436 ( 0.039 3.738 -2.196) 4.336 3.477 ( -0.329 1.212 -0.115) 1.261 3.678 ( 2.385 5.444 1.351) 6.095 3.878 ( 2.016 -3.307 -6.283) 7.381 4.152 ( 10.386 -3.169 -6.354) 12.582 4.600 ( 3.546 -4.538 -4.827) 7.514 4.730 ( -0.720 -2.757 5.307) 6.023 5.495 ( -0.601 8.561 -4.972) 9.918 5.845 ( -3.084 12.185 3.239) 12.980 6.096 ( 5.317 -0.232 1.374) 5.497 6.168 ( 3.123 2.836 -3.208) 5.300 6.538 ( 7.261 1.509 0.136) 7.418 6.652 ( 9.361 3.710 0.203) 10.072 8.643 ( 2.566 1.135 6.503) 7.082 9.403 ( -3.043 -8.472 5.275) 10.434 9.869 ( -4.947 5.632 -6.176) 9.713 10.295 ( -0.994 9.026 -1.061) 9.142 10.665 ( 3.715 3.283 8.258) 9.631 11.111 ( -4.559 -8.284 -3.598) 10.117 11.249 ( 1.184 -0.546 -2.113) 2.483 11.539 ( 6.798 -0.495 8.301) 10.741 11.607 ( -9.883 6.303 -2.848) 12.063 12.007 ( -2.001 -8.240 3.561) 9.197 12.550 ( -3.071 -4.328 -13.052) 14.089 12.658 ( 0.347 -6.120 -10.100) 11.814 14.736 ( -0.618 0.202 0.044) 0.652 14.865 ( 1.458 0.744 -0.780) 1.813 14.932 ( 2.283 2.715 3.585) 5.043 15.232 ( 3.797 -1.264 8.377) 9.284 22.463 ( 3.815 -2.453 2.563) 5.209 23.504 ( -9.688 -19.275 -9.707) 23.656 24.156 ( 5.823 -3.502 3.125) 7.479 24.583 ( -2.173 -13.859 6.945) 15.654 25.337 ( 1.336 19.536 1.479) 19.638 25.535 ( 9.924 27.018 0.361) 28.786 28.702 ( -0.034 -0.756 1.015) 1.266 28.852 ( -1.660 -1.319 -1.304) 2.489 ======================= Grid point 240 (121/145) ======================= q-point: (-0.12 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( -13.682 4.791 13.727) 19.964 1.270 ( -4.231 3.925 13.235) 14.438 1.789 ( -3.979 9.006 -5.854) 11.455 1.936 ( -1.808 12.919 -7.437) 15.016 2.068 ( 0.881 15.527 19.837) 25.206 2.315 ( -1.220 -4.047 -0.030) 4.227 2.451 ( -0.155 1.411 3.180) 3.482 2.701 ( -1.103 4.574 -4.454) 6.479 2.875 ( -2.847 1.504 6.641) 7.381 3.006 ( -2.331 4.177 1.240) 4.941 3.179 ( 0.760 -4.229 -0.740) 4.360 3.409 ( -0.633 7.192 -1.832) 7.449 3.531 ( 4.715 -3.084 -0.963) 5.715 3.725 ( 1.658 5.525 -0.111) 5.769 3.893 ( 3.011 -4.086 -4.600) 6.850 4.281 ( 5.269 -3.856 -4.755) 8.077 4.547 ( -2.427 -1.376 -4.037) 4.908 4.780 ( 0.589 -5.597 4.970) 7.508 5.445 ( -1.640 7.951 -3.178) 8.718 5.822 ( -0.645 14.916 1.999) 15.063 6.155 ( 2.231 0.004 -3.044) 3.774 6.263 ( 4.996 -1.796 2.133) 5.722 6.638 ( 3.535 4.972 0.554) 6.126 6.824 ( 7.316 -3.146 -1.851) 8.176 8.731 ( 1.264 2.431 7.387) 7.879 9.377 ( -3.080 -6.638 5.115) 8.928 9.744 ( -3.550 7.520 -5.645) 10.051 10.256 ( -1.826 10.814 -1.529) 11.074 10.805 ( 3.625 1.795 7.935) 8.907 10.957 ( -7.578 -3.604 -1.129) 8.467 11.282 ( 3.164 -0.201 -3.597) 4.794 11.424 ( -6.343 4.422 -0.452) 7.746 11.711 ( 6.005 -3.756 4.306) 8.288 12.015 ( -1.115 -6.733 7.263) 9.966 12.388 ( -4.138 -4.690 -12.416) 13.903 12.562 ( -1.666 -6.126 -13.914) 15.294 14.729 ( -0.147 0.300 0.009) 0.334 14.880 ( 0.622 0.898 -0.676) 1.285 15.001 ( 2.324 3.555 2.938) 5.164 15.388 ( 5.678 -2.747 8.054) 10.230 22.573 ( 5.364 -4.628 3.951) 8.111 23.179 ( -15.089 -16.277 -9.631) 24.195 24.285 ( 4.360 -2.745 2.234) 5.615 24.608 ( 0.106 -16.617 5.458) 17.490 25.361 ( 0.618 19.891 -0.056) 19.901 25.767 ( 11.665 23.046 1.313) 25.864 28.702 ( -0.396 -0.424 -1.334) 1.455 28.820 ( -0.787 -0.913 1.549) 1.962 ======================= Grid point 241 (122/145) ======================= q-point: ( 0.00 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.348 ( 2.274 10.719 12.008) 16.256 1.462 ( 1.652 6.259 3.530) 7.373 1.682 ( -2.109 4.355 -12.386) 13.298 2.055 ( -0.766 -3.470 1.935) 4.046 2.394 ( -1.033 8.085 3.474) 8.860 2.472 ( 2.387 8.175 2.757) 8.952 2.615 ( 1.054 0.827 -2.211) 2.585 2.795 ( 0.007 16.212 11.636) 19.956 2.949 ( 2.547 -0.225 1.874) 3.170 3.079 ( -1.707 2.560 6.492) 7.184 3.123 ( -0.104 5.044 -9.030) 10.344 3.499 ( 2.038 -5.409 -2.130) 6.160 3.578 ( 0.411 7.302 -0.523) 7.332 3.761 ( -1.949 -2.754 1.029) 3.527 3.847 ( 1.781 0.620 -6.508) 6.775 4.149 ( -1.882 -7.491 -1.526) 7.873 4.522 ( -0.517 0.694 -0.108) 0.873 4.690 ( 2.162 -4.972 0.084) 5.422 5.595 ( -0.436 9.069 -1.417) 9.190 6.137 ( 0.802 0.034 -1.037) 1.312 6.202 ( 0.334 4.475 -2.252) 5.021 6.322 ( 0.360 14.476 0.098) 14.481 6.730 ( 1.117 -7.074 -1.329) 7.284 6.859 ( -0.477 9.288 -0.347) 9.307 8.876 ( -2.738 6.299 9.260) 11.529 9.273 ( -2.018 -3.014 6.224) 7.204 9.921 ( 0.254 13.563 -1.137) 13.613 10.450 ( -1.986 10.490 -1.038) 10.727 10.730 ( -0.188 -3.585 3.620) 5.098 11.062 ( 1.224 2.977 7.192) 7.880 11.251 ( 2.553 -5.527 -8.222) 10.231 11.412 ( -0.409 2.006 2.687) 3.378 11.670 ( 1.256 -5.512 -1.214) 5.782 11.917 ( -1.202 -5.186 4.591) 7.030 12.134 ( -0.036 -7.926 -4.172) 8.957 12.271 ( -3.613 -7.314 -12.519) 14.942 14.751 ( -0.087 2.024 -0.426) 2.070 14.902 ( -0.392 0.979 -0.118) 1.061 15.132 ( 0.833 3.716 1.239) 4.005 15.418 ( 2.211 -5.076 2.582) 6.109 22.553 ( 3.451 -9.799 4.150) 11.188 22.628 ( -7.118 -8.551 -0.036) 11.126 24.278 ( -0.450 -3.665 1.848) 4.129 24.364 ( 4.174 -10.626 0.227) 11.419 25.810 ( -1.071 21.159 0.485) 21.191 26.256 ( 1.738 12.829 -4.616) 13.744 28.678 ( -0.752 0.398 -0.625) 1.055 28.806 ( 0.839 -1.926 0.418) 2.142 ======================= Grid point 242 (123/145) ======================= q-point: ( 0.12 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.479 ( 2.150 6.897 -0.696) 7.258 1.615 ( 16.311 6.730 -2.952) 17.890 1.757 ( 13.588 6.378 1.593) 15.095 2.073 ( 1.187 -5.377 2.412) 6.012 2.390 ( -1.174 13.722 1.341) 13.837 2.435 ( -4.257 5.255 -2.391) 7.173 2.640 ( 0.738 5.316 -1.073) 5.473 2.869 ( 0.804 13.241 4.152) 13.900 2.994 ( 1.035 -0.130 -5.762) 5.856 3.060 ( 1.071 6.010 5.957) 8.530 3.138 ( 3.795 -1.931 -4.236) 6.006 3.466 ( -3.035 -2.856 -2.454) 4.836 3.604 ( 2.774 4.164 -0.964) 5.095 3.710 ( -3.626 -0.557 1.724) 4.054 3.843 ( 1.122 1.138 -4.296) 4.583 4.081 ( -5.375 -7.806 1.433) 9.586 4.495 ( -1.785 1.047 0.734) 2.195 4.742 ( 3.317 -5.212 -3.031) 6.882 5.598 ( 1.101 9.530 0.288) 9.598 6.102 ( -3.313 -1.579 -1.713) 4.050 6.181 ( -1.020 3.848 -1.279) 4.181 6.341 ( 1.836 16.616 -0.850) 16.738 6.675 ( -4.828 -5.407 -2.148) 7.561 6.855 ( -0.540 9.171 0.286) 9.192 8.830 ( -7.875 6.311 8.070) 12.922 9.269 ( -2.718 -3.730 6.085) 7.637 9.908 ( -0.502 13.686 -0.262) 13.697 10.429 ( -1.000 9.791 3.079) 10.312 10.816 ( 5.694 -2.735 1.169) 6.424 11.046 ( -4.495 0.158 1.778) 4.836 11.240 ( 1.621 -2.643 -7.719) 8.318 11.479 ( 5.359 3.510 1.278) 6.532 11.675 ( 0.417 -7.445 -3.753) 8.348 11.930 ( 0.570 -6.729 5.662) 8.813 12.121 ( -3.832 -7.905 -8.558) 12.265 12.199 ( 3.837 -6.467 7.969) 10.957 14.746 ( -0.249 1.677 0.024) 1.696 14.887 ( -1.289 0.815 0.629) 1.650 15.124 ( -1.630 3.370 -1.094) 3.900 15.421 ( -1.701 -4.929 -2.871) 5.952 22.485 ( -4.900 -6.253 1.096) 8.020 22.739 ( 8.329 -10.298 7.019) 14.990 24.255 ( -1.606 -3.873 -1.709) 4.528 24.448 ( 5.527 -9.539 -4.722) 11.993 25.781 ( -2.651 20.775 2.134) 21.052 26.188 ( -5.299 12.974 -4.620) 14.756 28.671 ( -0.180 0.251 0.934) 0.984 28.819 ( 0.744 -2.261 -1.114) 2.628 ======================= Grid point 243 (124/145) ======================= q-point: ( 0.25 0.25 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.513 ( 2.975 6.935 -6.087) 9.695 1.876 ( 14.992 4.143 -7.668) 17.341 2.060 ( 6.349 3.151 3.707) 7.999 2.212 ( 14.938 -1.397 6.067) 16.184 2.279 ( -7.013 17.543 -1.280) 18.936 2.424 ( 2.048 7.933 -2.893) 8.689 2.591 ( -3.153 9.600 -1.128) 10.167 2.862 ( -1.719 10.634 1.258) 10.845 3.029 ( 3.420 1.361 -1.478) 3.966 3.096 ( 0.699 -2.732 -3.425) 4.436 3.197 ( 5.860 -2.002 -6.040) 8.650 3.413 ( -0.595 -1.540 -0.388) 1.696 3.630 ( -4.259 -7.020 5.702) 9.997 3.679 ( 4.078 9.368 -4.605) 11.207 3.825 ( -0.263 2.106 -4.562) 5.032 3.967 ( -6.996 -4.354 2.498) 8.611 4.462 ( -3.136 -0.220 2.171) 3.820 4.757 ( 0.904 -5.088 -4.688) 6.977 5.641 ( 2.703 10.214 1.560) 10.680 6.010 ( -4.582 -1.713 -1.286) 5.058 6.151 ( -1.173 4.410 -0.880) 4.648 6.377 ( 2.741 18.131 -1.736) 18.419 6.541 ( -7.275 -2.731 -2.271) 8.095 6.822 ( -2.822 10.207 -0.472) 10.600 8.708 ( -9.404 5.472 7.357) 13.134 9.252 ( -3.131 -5.949 5.881) 8.932 9.928 ( 2.317 10.561 2.093) 11.012 10.436 ( -1.585 8.792 5.004) 10.239 10.826 ( -3.672 -3.476 -5.012) 7.120 11.036 ( 2.519 0.739 0.408) 2.656 11.227 ( 1.311 -0.503 -3.240) 3.532 11.589 ( 3.378 -0.612 1.164) 3.625 11.641 ( 1.872 -8.250 -7.705) 11.443 11.934 ( -2.223 -3.397 -3.967) 5.676 12.119 ( 3.772 -8.433 11.474) 14.731 12.347 ( 5.179 -5.683 8.626) 11.555 14.745 ( 0.096 1.185 0.325) 1.233 14.862 ( -1.821 0.648 1.079) 2.214 15.063 ( -3.092 2.549 -2.940) 4.970 15.332 ( -3.844 -3.774 -5.864) 7.963 22.425 ( -2.511 -1.610 1.767) 3.467 22.968 ( 8.868 -12.846 9.997) 18.536 24.195 ( -1.697 -2.725 -6.522) 7.269 24.503 ( 4.459 -9.276 -7.955) 13.008 25.750 ( -2.057 20.044 2.916) 20.359 26.015 ( -8.836 15.546 -3.820) 18.285 28.679 ( 0.238 -0.239 1.192) 1.239 28.822 ( 0.432 -2.362 -1.178) 2.675 ======================= Grid point 244 (125/145) ======================= q-point: ( 0.38 0.25 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( -0.388 8.985 -8.779) 12.568 2.031 ( 2.441 3.828 -0.830) 4.615 2.100 ( -0.021 9.534 -5.437) 10.976 2.252 ( 5.444 7.242 2.327) 9.355 2.348 ( -4.967 15.180 -0.610) 15.983 2.470 ( 4.360 2.367 0.737) 5.015 2.682 ( 9.572 8.556 4.122) 13.484 2.858 ( 0.555 7.874 2.518) 8.286 2.984 ( -6.036 -1.448 -1.428) 6.369 3.121 ( 4.722 -3.104 -6.270) 8.440 3.275 ( 7.437 -1.380 -7.858) 10.907 3.421 ( -0.374 -0.444 0.350) 0.678 3.589 ( -3.481 -2.536 5.858) 7.270 3.722 ( 0.321 -1.851 -3.944) 4.369 3.766 ( 0.528 -1.933 -3.978) 4.454 3.899 ( -1.012 7.197 0.581) 7.291 4.399 ( -4.343 -0.593 2.123) 4.870 4.721 ( -1.015 -4.922 -4.868) 6.996 5.718 ( 3.877 11.233 1.927) 12.039 5.924 ( -3.478 0.868 -0.737) 3.659 6.137 ( 0.782 3.048 -1.233) 3.380 6.374 ( -6.849 2.246 -2.183) 7.531 6.424 ( 2.101 16.417 -2.226) 16.700 6.752 ( -3.433 11.814 -0.961) 12.341 8.595 ( -6.927 3.999 7.276) 10.813 9.233 ( -2.901 -8.330 5.926) 10.626 10.017 ( 4.197 7.363 4.186) 9.453 10.420 ( -2.952 5.663 2.618) 6.902 10.724 ( -3.713 0.444 -0.329) 3.754 11.045 ( 0.944 -3.825 -7.661) 8.615 11.245 ( 0.974 1.749 0.650) 2.105 11.544 ( -3.154 1.502 -3.912) 5.245 11.714 ( 4.378 -15.809 -0.318) 16.407 11.892 ( 0.011 0.796 -0.820) 1.143 12.299 ( 5.527 -6.568 11.288) 14.181 12.493 ( 5.083 -5.299 4.036) 8.379 14.757 ( 0.967 0.695 0.589) 1.329 14.833 ( -1.953 0.633 0.979) 2.274 14.978 ( -3.147 1.745 -3.260) 4.855 15.220 ( -3.261 -2.446 -5.456) 6.811 22.406 ( -1.202 2.136 2.741) 3.677 23.181 ( 5.173 -14.123 11.041) 18.658 24.107 ( -1.671 -1.717 -9.029) 9.341 24.508 ( 1.971 -9.364 -9.102) 13.206 25.749 ( 0.531 19.505 1.727) 19.589 25.836 ( -7.030 18.282 -1.591) 19.651 28.695 ( 0.663 -0.578 0.819) 1.202 28.817 ( -0.241 -2.554 -0.702) 2.659 ======================= Grid point 245 (126/145) ======================= q-point: (-0.50 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( -3.339 12.692 -4.624) 13.915 1.995 ( -3.158 13.345 1.498) 13.795 2.094 ( -1.247 4.101 -0.708) 4.344 2.237 ( -1.130 13.757 -1.909) 13.935 2.401 ( 2.735 3.965 5.287) 7.152 2.518 ( 1.653 4.960 -3.554) 6.322 2.782 ( -4.670 4.815 4.221) 7.925 2.846 ( -0.950 3.027 0.531) 3.217 2.944 ( 3.888 4.668 -1.200) 6.192 3.121 ( -2.395 -2.985 -1.752) 4.209 3.318 ( -10.782 -1.153 1.888) 11.007 3.401 ( 7.756 -0.864 -4.660) 9.089 3.560 ( -0.681 1.849 4.610) 5.013 3.700 ( -2.241 -3.144 -2.811) 4.776 3.805 ( 7.047 -6.362 -5.717) 11.082 3.910 ( 2.231 7.933 -2.680) 8.666 4.359 ( -0.321 0.278 1.686) 1.739 4.673 ( -0.445 -4.661 -3.437) 5.808 5.798 ( 2.304 12.316 0.309) 12.534 5.871 ( -0.904 2.529 -0.212) 2.694 6.164 ( 2.146 0.431 -2.545) 3.357 6.262 ( -0.666 3.206 -1.996) 3.835 6.439 ( -0.241 18.811 -0.970) 18.838 6.704 ( -0.396 12.102 -0.448) 12.116 8.552 ( -2.555 2.965 7.314) 8.296 9.223 ( -2.321 -9.524 6.163) 11.579 10.112 ( 1.894 4.706 2.767) 5.778 10.373 ( -1.921 3.106 0.751) 3.728 10.690 ( -1.634 4.651 4.585) 6.732 10.999 ( 0.291 -6.837 -8.055) 10.569 11.258 ( -0.503 -1.000 1.063) 1.544 11.475 ( -0.884 5.767 -2.246) 6.252 11.759 ( -0.619 -16.865 2.035) 16.998 11.903 ( 0.913 2.091 -0.644) 2.371 12.454 ( 4.237 -6.416 5.684) 9.562 12.577 ( 3.015 -5.290 -3.214) 6.885 14.791 ( 1.917 0.062 0.802) 2.078 14.801 ( -1.561 1.237 0.215) 2.004 14.914 ( -1.511 1.406 -1.216) 2.396 15.147 ( -1.469 -1.549 -2.423) 3.229 22.408 ( -0.873 3.745 3.206) 5.006 23.296 ( -0.441 -14.533 8.826) 17.009 24.029 ( -0.659 -1.768 -6.480) 6.749 24.461 ( -1.116 -9.417 -6.325) 11.398 25.739 ( -2.899 19.552 1.300) 19.808 25.796 ( 4.461 19.816 -2.189) 20.429 28.705 ( -0.580 -0.599 0.981) 1.287 28.813 ( 0.653 -2.743 -0.948) 2.975 ======================= Grid point 246 (127/145) ======================= q-point: (-0.38 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.333 ( -2.961 14.347 4.647) 15.368 1.934 ( -7.060 13.861 5.657) 16.552 2.045 ( -3.388 4.515 2.411) 6.139 2.252 ( 2.488 8.897 -0.381) 9.247 2.431 ( -3.372 4.008 -2.296) 5.719 2.462 ( -1.881 8.234 -1.962) 8.671 2.677 ( -7.739 4.085 4.258) 9.732 2.865 ( -1.555 6.272 1.710) 6.684 2.980 ( -5.547 -3.611 1.642) 6.820 3.032 ( -0.169 4.458 0.649) 4.508 3.132 ( -6.881 -2.160 4.224) 8.358 3.438 ( -0.437 -1.567 -0.313) 1.657 3.626 ( -1.276 4.645 -1.349) 5.003 3.664 ( 5.021 -1.579 0.928) 5.344 3.851 ( 1.722 -4.742 -8.021) 9.475 3.964 ( 6.520 2.545 -5.157) 8.694 4.418 ( 4.645 -1.478 1.390) 5.069 4.663 ( 0.504 -4.173 -0.935) 4.306 5.764 ( -2.953 9.665 -2.430) 10.394 5.922 ( 4.457 3.230 -0.194) 5.507 6.159 ( 1.207 3.414 -3.622) 5.122 6.355 ( 8.370 1.333 -0.349) 8.483 6.402 ( -2.578 18.507 -0.197) 18.686 6.735 ( 3.109 11.507 0.534) 11.931 8.593 ( 1.497 3.166 7.548) 8.321 9.226 ( -1.709 -8.881 6.363) 11.058 10.088 ( -3.806 3.652 -2.510) 5.841 10.398 ( 2.464 3.024 3.732) 5.398 10.708 ( -0.155 7.201 5.333) 8.962 10.959 ( -0.088 -8.485 -4.506) 9.607 11.245 ( -1.410 -2.708 2.357) 3.857 11.494 ( 3.094 7.344 0.308) 7.975 11.709 ( -5.379 -14.661 0.482) 15.624 11.905 ( 0.048 1.317 -1.556) 2.039 12.525 ( 2.036 -6.815 -4.309) 8.316 12.561 ( -0.455 -5.624 -7.609) 9.473 14.771 ( -0.972 1.293 -0.739) 1.778 14.843 ( 2.541 0.623 0.262) 2.629 14.916 ( 1.373 1.630 2.403) 3.212 15.134 ( 0.379 -1.461 2.147) 2.624 22.411 ( -0.884 2.433 2.682) 3.728 23.277 ( -6.165 -16.623 3.560) 18.083 24.010 ( 1.566 -1.753 -0.667) 2.444 24.396 ( -3.034 -9.106 0.051) 9.598 25.732 ( 0.664 20.071 1.855) 20.167 25.892 ( 8.112 20.370 -5.206) 22.536 28.691 ( -1.170 -0.462 1.162) 1.713 28.824 ( 0.853 -2.604 -1.296) 3.031 ======================= Grid point 247 (128/145) ======================= q-point: (-0.25 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( -1.322 12.255 9.426) 15.518 1.727 ( -18.647 8.515 7.053) 21.679 2.031 ( -0.413 4.750 3.406) 5.860 2.290 ( -3.395 7.666 1.333) 8.490 2.319 ( -2.439 8.934 -0.899) 9.305 2.394 ( -7.635 4.213 -6.362) 10.794 2.522 ( -3.287 9.366 5.691) 11.442 2.852 ( -0.392 0.822 4.616) 4.705 2.864 ( -6.805 3.074 7.081) 10.291 3.067 ( -3.767 -0.736 7.433) 8.366 3.132 ( 5.894 1.886 -3.702) 7.210 3.432 ( 0.919 -1.940 -1.983) 2.922 3.596 ( -1.557 6.425 0.924) 6.675 3.727 ( 1.528 -3.035 -1.004) 3.543 3.842 ( 3.229 0.898 -6.645) 7.442 4.068 ( 8.006 -3.482 -6.240) 10.731 4.509 ( 3.431 -3.135 -1.140) 4.786 4.664 ( -1.014 -3.465 2.774) 4.553 5.691 ( -2.567 8.768 -3.017) 9.621 6.011 ( 5.130 0.119 -1.163) 5.261 6.173 ( 2.229 6.950 -3.000) 7.891 6.352 ( -2.077 17.520 0.084) 17.643 6.524 ( 8.530 -1.937 -0.366) 8.755 6.809 ( 3.615 9.864 0.672) 10.527 8.698 ( 3.464 4.346 8.334) 10.017 9.242 ( -1.254 -6.716 6.556) 9.469 9.985 ( -3.608 5.580 -3.700) 7.606 10.470 ( 1.714 5.158 3.156) 6.285 10.755 ( 1.729 5.528 3.889) 6.976 10.927 ( -2.388 -6.982 1.959) 7.635 11.252 ( 0.517 -1.247 1.678) 2.154 11.548 ( -2.890 -1.654 -0.856) 3.438 11.597 ( -0.789 -5.802 0.541) 5.880 11.889 ( -0.665 -0.121 -0.415) 0.793 12.430 ( -2.700 -6.611 -16.022) 17.541 12.513 ( -1.001 -6.812 -7.074) 9.872 14.757 ( -0.029 1.849 -0.907) 2.060 14.884 ( 1.867 0.898 -0.897) 2.257 14.988 ( 3.322 2.390 4.048) 5.756 15.194 ( 2.738 -2.316 6.819) 7.705 22.419 ( 0.190 -1.049 2.528) 2.744 23.105 ( -11.746 -17.509 -1.794) 21.160 24.084 ( 4.669 -2.887 3.543) 6.534 24.352 ( -3.456 -8.858 5.250) 10.862 25.772 ( 2.077 20.404 0.889) 20.529 26.035 ( 10.341 19.379 -5.778) 22.712 28.688 ( 0.186 -0.337 0.719) 0.815 28.816 ( -0.876 -1.940 -0.954) 2.332 ======================= Grid point 248 (129/145) ======================= q-point: (-0.12 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( -0.597 8.862 7.188) 11.426 1.419 ( -14.945 9.571 10.411) 20.575 1.936 ( -12.799 5.347 -9.099) 16.589 2.080 ( -3.753 -2.691 0.614) 4.659 2.346 ( 2.134 4.987 7.096) 8.932 2.392 ( 2.813 12.980 0.150) 13.283 2.572 ( 1.841 8.072 6.382) 10.453 2.788 ( -5.869 7.322 7.953) 12.300 2.898 ( 1.845 1.510 2.280) 3.299 3.055 ( -1.964 -2.235 6.974) 7.582 3.179 ( 1.290 6.292 -5.584) 8.511 3.454 ( 2.850 -4.125 -1.712) 5.299 3.579 ( -0.403 7.368 0.027) 7.379 3.753 ( 1.795 -5.077 -0.562) 5.414 3.858 ( 2.364 2.905 -6.399) 7.415 4.158 ( 4.241 -7.105 -5.322) 9.838 4.521 ( 0.211 -0.713 -1.726) 1.879 4.670 ( -0.864 -4.279 3.937) 5.879 5.630 ( -1.643 8.674 -2.694) 9.231 6.094 ( 4.002 -1.174 -1.053) 4.301 6.195 ( 1.776 8.089 -2.297) 8.594 6.326 ( -0.769 14.584 0.008) 14.604 6.662 ( 5.882 -4.091 -0.506) 7.182 6.861 ( 1.300 7.912 -0.405) 8.028 8.816 ( 2.007 5.620 9.322) 11.069 9.262 ( -1.328 -4.259 6.542) 7.918 9.925 ( -0.306 9.383 -2.516) 9.719 10.489 ( -0.803 9.922 -0.123) 9.956 10.770 ( -3.568 -4.986 1.675) 6.356 10.948 ( 2.179 2.910 9.363) 10.044 11.264 ( 1.372 -1.451 -4.975) 5.361 11.440 ( -4.587 -6.271 2.509) 8.164 11.647 ( 2.511 -0.861 -1.391) 2.996 11.891 ( -0.420 -2.786 4.784) 5.552 12.253 ( -3.757 -7.665 -15.337) 17.552 12.414 ( -2.523 -7.007 -11.614) 13.797 14.754 ( 0.209 2.107 -0.808) 2.266 14.902 ( 0.710 1.023 -0.873) 1.521 15.078 ( 3.020 3.328 3.201) 5.518 15.316 ( 4.203 -3.872 7.198) 9.190 22.461 ( 2.396 -5.137 3.169) 6.493 22.844 ( -12.665 -14.413 -2.430) 19.340 24.208 ( 5.410 -4.303 2.492) 7.348 24.332 ( -2.523 -9.437 5.997) 11.462 25.808 ( 1.209 20.935 -0.169) 20.970 26.187 ( 8.258 15.774 -4.924) 18.473 28.695 ( 0.147 -0.088 -1.044) 1.058 28.794 ( -0.685 -1.430 0.853) 1.800 ======================= Grid point 249 (130/145) ======================= q-point: ( 0.00 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( 2.313 8.016 4.593) 9.524 1.653 ( -0.278 11.138 2.280) 11.372 1.745 ( -0.764 0.801 -6.018) 6.119 1.974 ( -1.549 -3.391 0.254) 3.737 2.426 ( -0.498 0.220 2.658) 2.713 2.545 ( 3.271 -4.077 0.936) 5.310 2.718 ( 0.314 6.806 6.847) 9.659 2.916 ( 2.223 -3.745 0.610) 4.398 3.010 ( -1.930 6.949 3.437) 7.989 3.232 ( 1.459 13.020 4.062) 13.717 3.280 ( -3.961 3.784 -1.327) 5.637 3.386 ( 3.597 -3.962 -3.024) 6.147 3.579 ( -0.307 -3.703 -1.293) 3.934 3.755 ( 0.809 -2.203 6.014) 6.456 3.877 ( 0.509 2.912 -6.289) 6.950 4.006 ( -1.786 -4.496 -5.220) 7.117 4.543 ( 0.346 1.317 -0.226) 1.381 4.615 ( 1.575 -2.436 -0.106) 2.902 5.757 ( 0.097 6.443 -2.218) 6.815 6.018 ( 0.444 -6.894 -1.905) 7.166 6.310 ( -0.178 6.039 -2.438) 6.515 6.566 ( 0.539 -5.399 -1.789) 5.713 6.765 ( 0.317 18.117 0.420) 18.125 7.035 ( 0.137 5.897 0.161) 5.901 9.018 ( -2.628 6.807 9.163) 11.713 9.221 ( -2.094 -2.566 6.914) 7.666 10.201 ( 2.613 12.659 2.046) 13.087 10.622 ( 1.427 -6.048 3.693) 7.228 10.649 ( -2.211 7.739 0.142) 8.050 11.044 ( -5.012 -7.955 -3.789) 10.137 11.143 ( 4.065 -0.370 0.418) 4.103 11.337 ( 2.970 -7.026 6.263) 9.869 11.671 ( 1.060 4.015 0.668) 4.206 11.889 ( -1.695 1.975 -0.925) 2.762 11.962 ( -0.033 -7.228 -5.677) 9.191 12.133 ( -4.214 -6.065 -12.608) 14.612 14.810 ( -0.263 3.401 -0.493) 3.446 14.911 ( -0.479 -0.340 -0.132) 0.602 15.195 ( 0.802 2.395 1.602) 2.990 15.316 ( 1.589 -4.361 2.395) 5.223 22.397 ( -0.195 -4.328 2.341) 4.924 22.472 ( -2.317 -6.438 1.675) 7.044 24.196 ( -0.175 -3.321 1.982) 3.872 24.221 ( 3.997 -3.762 0.096) 5.490 26.194 ( -0.912 14.772 -0.107) 14.800 26.432 ( 0.422 3.817 -3.552) 5.232 28.695 ( -0.490 1.148 -0.415) 1.316 28.764 ( 0.328 -1.988 0.185) 2.024 ======================= Grid point 250 (131/145) ======================= q-point: ( 0.12 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.633 ( 2.997 7.274 -1.064) 7.938 1.768 ( 11.281 6.642 -2.598) 13.347 1.853 ( 13.244 1.418 1.234) 13.377 1.975 ( 1.158 -2.459 2.958) 4.017 2.444 ( 2.646 3.106 0.809) 4.159 2.675 ( 8.750 -1.803 -3.686) 9.664 2.728 ( -2.291 9.331 2.456) 9.917 2.912 ( -0.164 -2.424 -4.350) 4.983 3.027 ( -0.236 1.311 5.441) 5.602 3.181 ( -6.220 3.896 2.729) 7.830 3.264 ( 1.334 10.380 -2.926) 10.867 3.398 ( -0.645 -2.315 -3.573) 4.306 3.529 ( -3.655 -4.702 0.977) 6.035 3.796 ( -0.665 -4.320 3.232) 5.436 3.854 ( 0.919 4.167 -7.567) 8.687 3.952 ( -0.609 -1.730 1.657) 2.472 4.530 ( -1.156 2.236 -0.759) 2.629 4.650 ( 2.225 -3.625 -2.422) 4.895 5.760 ( 1.426 6.139 -0.898) 6.366 5.993 ( -1.614 -6.039 -1.557) 6.442 6.288 ( -0.982 6.117 -0.535) 6.219 6.540 ( -2.104 -5.537 -1.450) 6.099 6.774 ( 0.749 18.491 -0.538) 18.514 7.035 ( -0.143 6.196 -0.241) 6.202 8.971 ( -7.853 6.872 7.717) 12.979 9.197 ( -4.820 -3.556 6.263) 8.666 10.203 ( -1.334 14.063 -3.228) 14.490 10.616 ( -1.154 8.242 4.341) 9.387 10.712 ( 3.267 -7.973 -2.841) 9.073 10.965 ( -2.242 -7.296 6.077) 9.756 11.194 ( 2.703 -0.410 -3.837) 4.711 11.405 ( 2.348 -9.023 -3.927) 10.117 11.681 ( -0.906 6.445 -3.355) 7.323 11.856 ( 2.669 -0.085 6.327) 6.867 11.972 ( -3.942 -6.059 -10.003) 12.342 12.064 ( 4.826 -6.241 9.539) 12.379 14.798 ( -0.807 3.140 0.305) 3.256 14.894 ( -1.463 -0.377 0.783) 1.702 15.183 ( -2.167 2.417 -0.948) 3.382 15.318 ( -1.488 -4.609 -1.940) 5.217 22.395 ( -0.147 -1.842 1.987) 2.714 22.544 ( 5.919 -8.062 4.342) 10.903 24.196 ( 0.334 -1.257 -2.403) 2.732 24.293 ( 4.616 -5.555 -4.221) 8.366 26.158 ( -3.122 14.464 1.691) 14.894 26.375 ( -4.266 4.478 -2.048) 6.515 28.687 ( -0.367 1.303 0.594) 1.478 28.770 ( 0.334 -2.347 -0.392) 2.403 ======================= Grid point 251 (132/145) ======================= q-point: ( 0.25 0.38 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.679 ( 2.592 8.188 -2.712) 9.006 1.921 ( 5.007 -1.390 -1.470) 5.400 2.067 ( 10.890 1.561 -0.967) 11.043 2.195 ( 13.894 -1.330 3.775) 14.459 2.552 ( 6.120 10.326 0.363) 12.009 2.667 ( -0.015 11.852 -3.285) 12.299 2.752 ( -0.132 5.274 -3.150) 6.144 2.931 ( 5.692 -6.609 -6.757) 11.033 3.043 ( -1.620 -1.374 3.440) 4.043 3.094 ( -5.174 5.233 6.626) 9.903 3.245 ( 1.989 7.177 -9.332) 11.940 3.348 ( -1.360 -4.284 -1.404) 4.709 3.486 ( -3.532 -5.796 5.542) 8.762 3.706 ( -5.108 -9.997 -5.114) 12.336 3.875 ( 2.809 8.288 -2.641) 9.141 3.988 ( 2.035 2.795 1.403) 3.731 4.487 ( -2.947 2.465 -0.482) 3.873 4.652 ( -0.030 -4.835 -3.533) 5.988 5.801 ( 2.998 5.230 0.250) 6.033 5.950 ( -1.652 -3.193 -0.677) 3.658 6.263 ( -1.515 5.956 0.261) 6.152 6.469 ( -4.274 -3.811 -1.178) 5.846 6.789 ( 1.467 18.069 -1.222) 18.170 7.021 ( -1.113 7.008 -0.867) 7.148 8.842 ( -9.828 7.121 6.606) 13.818 9.130 ( -5.982 -5.972 5.629) 10.155 10.162 ( 0.197 11.614 -3.133) 12.030 10.570 ( -4.803 0.382 -0.990) 4.919 10.729 ( 0.080 -1.429 1.395) 1.999 11.020 ( 0.808 -4.328 5.387) 6.957 11.223 ( 3.145 0.354 -2.734) 4.182 11.382 ( 0.994 -9.916 -9.513) 13.777 11.633 ( -1.356 2.454 -2.281) 3.614 11.869 ( -1.368 -6.596 -2.035) 7.037 12.032 ( 6.493 2.446 11.731) 13.630 12.232 ( 5.874 -5.223 8.455) 11.544 14.786 ( -0.742 2.623 0.841) 2.852 14.869 ( -1.895 -0.318 1.341) 2.343 15.110 ( -3.757 2.176 -2.974) 5.263 15.245 ( -3.238 -4.224 -4.526) 6.987 22.430 ( 1.841 2.331 2.847) 4.114 22.717 ( 7.578 -10.816 6.610) 14.768 24.171 ( 0.134 0.565 -6.743) 6.768 24.335 ( 3.720 -6.811 -7.804) 11.006 26.110 ( -3.022 13.544 2.786) 14.154 26.257 ( -6.492 6.997 -0.548) 9.561 28.687 ( -0.083 1.068 0.733) 1.298 28.771 ( 0.036 -2.457 -0.333) 2.480 ======================= Grid point 252 (133/145) ======================= q-point: ( 0.38 0.38 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( 0.622 9.209 -3.645) 9.924 1.973 ( 1.362 -4.770 0.868) 5.036 2.266 ( 7.536 5.591 -4.165) 10.266 2.372 ( 3.878 2.073 3.180) 5.427 2.559 ( -0.004 7.834 1.050) 7.904 2.658 ( -1.824 9.035 -6.365) 11.201 2.862 ( 9.863 7.426 -1.716) 12.464 2.930 ( -5.353 -0.033 4.862) 7.231 2.984 ( -0.849 -0.066 -1.848) 2.035 3.104 ( 0.384 3.103 1.885) 3.651 3.267 ( 5.384 1.048 -8.738) 10.317 3.364 ( 3.867 -5.238 -0.602) 6.539 3.467 ( -1.748 -5.702 7.582) 9.646 3.585 ( -3.943 -8.379 -3.225) 9.806 3.880 ( 0.013 8.181 -5.594) 9.911 4.025 ( 1.471 3.441 -1.677) 4.101 4.423 ( -2.921 2.656 0.084) 3.949 4.609 ( -1.536 -5.499 -3.533) 6.714 5.872 ( 3.599 3.784 0.596) 5.257 5.931 ( -0.106 -0.171 0.366) 0.418 6.237 ( -0.873 5.696 -0.571) 5.791 6.373 ( -4.256 -0.784 -1.486) 4.575 6.811 ( 1.529 16.699 -1.137) 16.807 6.983 ( -1.853 8.583 -1.234) 8.867 8.712 ( -7.610 7.056 6.356) 12.169 9.059 ( -4.955 -8.404 5.497) 11.198 10.172 ( 1.694 7.497 -0.530) 7.705 10.460 ( -4.646 -3.005 -2.411) 6.035 10.741 ( -1.642 3.369 6.747) 7.718 11.017 ( -0.276 -0.792 -5.799) 5.859 11.247 ( -0.093 -1.967 -1.951) 2.772 11.348 ( 0.650 -14.059 -4.970) 14.926 11.624 ( 1.200 4.902 2.276) 5.536 11.875 ( 1.206 -3.998 1.510) 4.440 12.224 ( 5.393 0.307 9.599) 11.015 12.385 ( 5.471 -4.990 3.098) 8.027 14.785 ( -0.036 1.831 1.073) 2.123 14.842 ( -1.645 -0.012 1.280) 2.084 15.015 ( -3.440 2.078 -3.357) 5.236 15.154 ( -2.718 -3.730 -4.370) 6.356 22.490 ( 1.596 5.955 4.015) 7.357 22.895 ( 5.055 -12.837 8.029) 15.963 24.111 ( -0.867 1.993 -8.552) 8.824 24.327 ( 1.385 -7.784 -8.958) 11.948 26.090 ( -0.640 12.234 2.311) 12.467 26.143 ( -4.754 10.119 0.331) 11.185 28.694 ( 0.375 0.590 0.464) 0.838 28.765 ( -0.459 -2.389 -0.169) 2.438 ======================= Grid point 253 (134/145) ======================= q-point: (-0.50 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( -1.276 11.369 -1.873) 11.592 1.992 ( 0.216 -5.471 0.494) 5.498 2.258 ( -2.622 9.140 -2.010) 9.718 2.461 ( -0.760 1.679 6.659) 6.909 2.544 ( -1.960 9.256 -0.394) 9.469 2.649 ( 3.515 5.788 -5.901) 8.982 2.796 ( -7.715 -0.190 6.054) 9.808 2.910 ( 0.070 0.570 -0.939) 1.101 3.070 ( 3.839 3.010 0.778) 4.940 3.087 ( -2.678 3.981 0.042) 4.799 3.286 ( -4.671 -1.372 -1.317) 5.044 3.373 ( 1.814 -2.215 -0.302) 2.879 3.521 ( -0.281 -4.313 1.181) 4.481 3.605 ( 8.614 -6.831 -2.354) 11.243 3.810 ( -1.439 7.698 -6.268) 10.031 4.025 ( 0.641 2.025 -2.690) 3.428 4.395 ( 0.022 2.862 0.211) 2.870 4.567 ( -0.272 -5.186 -2.519) 5.772 5.916 ( 0.649 1.921 -0.232) 2.041 5.951 ( 1.141 2.117 0.141) 2.409 6.232 ( 1.491 5.244 -2.231) 5.891 6.316 ( 0.334 1.610 -1.620) 2.308 6.822 ( -0.095 15.799 -0.613) 15.811 6.949 ( -0.455 9.626 -0.623) 9.657 8.654 ( -2.707 6.813 6.770) 9.978 9.025 ( -2.428 -9.490 5.944) 11.458 10.196 ( -0.082 3.853 0.590) 3.899 10.381 ( -2.352 -2.768 0.317) 3.646 10.762 ( -1.217 3.534 8.302) 9.104 10.964 ( 0.284 2.050 -8.484) 8.733 11.204 ( -2.915 -4.428 -0.140) 5.304 11.336 ( 0.539 -14.591 -1.985) 14.735 11.686 ( 2.204 7.009 2.496) 7.759 11.905 ( 1.118 -1.900 -0.314) 2.227 12.358 ( 3.243 -2.041 5.235) 6.488 12.468 ( 3.172 -5.047 -4.023) 7.192 14.798 ( 0.529 0.873 0.788) 1.290 14.829 ( -0.119 0.675 0.808) 1.059 14.948 ( -1.448 2.273 -1.426) 3.049 15.094 ( -1.133 -3.366 -2.012) 4.082 22.528 ( -0.889 7.679 4.167) 8.782 22.992 ( -0.723 -13.896 7.001) 15.577 24.039 ( -1.010 2.517 -5.753) 6.360 24.276 ( -1.109 -8.145 -5.952) 10.148 26.083 ( -1.544 12.462 1.958) 12.709 26.128 ( 3.767 10.928 -1.982) 11.728 28.701 ( -0.267 0.299 0.480) 0.625 28.759 ( 0.334 -2.290 -0.377) 2.344 ======================= Grid point 254 (135/145) ======================= q-point: (-0.38 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.628 ( -1.834 12.769 1.687) 13.010 1.990 ( -0.446 -5.469 -0.500) 5.510 2.164 ( -8.763 9.647 3.828) 13.584 2.455 ( -5.406 0.153 -3.932) 6.686 2.464 ( -3.238 6.176 9.441) 11.737 2.626 ( -1.593 2.397 -2.021) 3.517 2.753 ( -4.177 3.850 5.346) 7.801 2.898 ( -6.511 -3.582 4.141) 8.507 3.005 ( -0.620 8.123 1.540) 8.291 3.118 ( -6.350 2.553 5.046) 8.503 3.176 ( 2.713 6.258 -4.445) 8.141 3.368 ( -1.412 -5.166 -0.731) 5.405 3.547 ( 3.381 -4.643 -3.729) 6.848 3.680 ( 1.893 -8.397 -5.832) 10.397 3.817 ( 4.236 8.658 -1.613) 9.773 4.032 ( 1.793 1.245 -2.262) 3.143 4.423 ( 2.575 1.769 0.289) 3.138 4.568 ( 1.175 -4.623 -0.575) 4.805 5.895 ( -2.186 3.574 -1.465) 4.438 5.961 ( 1.211 0.310 -2.079) 2.426 6.263 ( 3.490 5.587 -3.393) 7.411 6.370 ( 5.454 0.232 -1.190) 5.587 6.798 ( -1.800 16.705 0.006) 16.802 6.963 ( 1.592 8.672 0.513) 8.832 8.699 ( 2.090 6.836 7.672) 10.486 9.046 ( 0.179 -8.514 6.650) 10.804 10.162 ( -3.114 3.959 0.142) 5.039 10.383 ( 0.563 -4.321 4.277) 6.106 10.810 ( 0.238 2.321 8.954) 9.253 10.923 ( 1.096 4.973 -7.841) 9.350 11.159 ( -3.196 -5.847 5.744) 8.798 11.333 ( 0.077 -14.325 -1.790) 14.437 11.710 ( 0.491 8.250 -3.461) 8.960 11.911 ( 0.424 -1.178 -1.979) 2.342 12.411 ( 0.843 -3.534 -2.181) 4.238 12.450 ( -0.021 -4.582 -9.057) 10.150 14.805 ( 0.374 1.826 -0.701) 1.991 14.856 ( 2.069 0.215 0.252) 2.095 14.952 ( 1.565 2.141 2.329) 3.530 15.086 ( 0.486 -3.092 1.605) 3.517 22.505 ( -3.783 6.665 2.968) 8.219 22.951 ( -7.166 -14.203 3.573) 16.305 24.012 ( 0.434 1.912 0.010) 1.961 24.222 ( -2.204 -7.537 0.093) 7.853 26.096 ( 1.726 13.785 0.549) 13.903 26.211 ( 6.898 9.466 -4.605) 12.585 28.693 ( -0.549 0.761 0.526) 1.076 28.770 ( 0.806 -2.502 -0.623) 2.701 ======================= Grid point 255 (136/145) ======================= q-point: (-0.25 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.613 ( -1.567 12.341 3.380) 12.891 1.894 ( -13.228 5.611 0.942) 14.400 2.028 ( -3.402 -0.788 3.153) 4.705 2.277 ( -11.201 -4.027 -4.386) 12.685 2.494 ( -4.799 6.122 9.850) 12.551 2.537 ( -4.533 4.774 2.020) 6.886 2.657 ( -5.767 2.569 6.186) 8.839 2.825 ( -2.002 -4.052 3.985) 6.026 3.014 ( -4.072 9.728 9.150) 13.962 3.094 ( 2.980 5.210 1.494) 6.185 3.232 ( 4.890 6.279 -4.934) 9.364 3.360 ( 1.536 -4.567 -2.637) 5.493 3.599 ( 3.748 -5.117 -1.137) 6.444 3.643 ( -1.475 -6.721 -3.904) 7.911 3.886 ( 3.946 5.622 -3.204) 7.579 4.050 ( 2.034 0.056 -4.029) 4.513 4.483 ( 2.833 0.530 0.293) 2.897 4.589 ( 0.264 -3.607 1.762) 4.023 5.835 ( -2.174 5.118 -2.741) 6.200 5.977 ( 2.241 -2.380 -2.886) 4.361 6.306 ( 3.144 5.777 -4.051) 7.724 6.472 ( 5.373 -2.664 -1.417) 6.163 6.768 ( -1.405 18.217 0.675) 18.284 7.001 ( 1.547 6.842 0.871) 7.069 8.821 ( 4.212 7.022 8.832) 12.044 9.112 ( 1.480 -6.073 7.285) 9.599 10.111 ( -1.842 6.675 1.044) 7.003 10.442 ( 1.190 -6.732 7.724) 10.315 10.858 ( 0.161 2.250 -5.047) 5.528 10.917 ( 1.165 7.180 7.074) 10.146 11.170 ( -1.037 -6.882 9.794) 12.015 11.294 ( -2.571 -12.403 -4.046) 13.297 11.677 ( 0.319 6.320 -6.135) 8.814 11.895 ( -0.404 -1.577 -2.837) 3.271 12.320 ( -3.053 -2.778 -15.052) 15.607 12.392 ( -1.392 -4.653 -6.931) 8.463 14.809 ( 0.784 2.973 -1.388) 3.373 14.894 ( 1.927 -0.169 -1.023) 2.188 15.030 ( 3.777 1.872 4.446) 6.127 15.137 ( 2.398 -3.004 5.377) 6.609 22.440 ( -4.221 3.324 2.151) 5.787 22.786 ( -10.685 -12.983 0.791) 16.833 24.053 ( 2.135 0.166 3.819) 4.378 24.196 ( -2.178 -6.228 4.498) 7.985 26.144 ( 3.009 14.389 -0.655) 14.715 26.318 ( 7.552 7.431 -5.853) 12.104 28.694 ( 0.361 1.001 0.235) 1.089 28.773 ( -0.191 -2.208 -0.590) 2.293 ======================= Grid point 256 (137/145) ======================= q-point: (-0.12 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.605 ( -4.123 10.279 1.528) 11.180 1.646 ( -8.413 11.498 6.323) 15.587 1.952 ( -11.803 -4.738 -5.317) 13.786 2.020 ( -4.084 -1.863 -1.518) 4.739 2.408 ( -2.299 3.138 4.088) 5.643 2.574 ( -6.667 -2.394 6.235) 9.437 2.627 ( 3.074 6.411 8.733) 11.261 2.857 ( 1.267 -5.125 4.835) 7.159 3.019 ( -0.873 8.775 3.708) 9.566 3.162 ( 1.841 12.891 5.392) 14.094 3.300 ( 4.851 4.081 -4.160) 7.582 3.360 ( -0.020 -4.456 -2.662) 5.191 3.590 ( -0.164 -5.232 -3.811) 6.475 3.681 ( 2.628 -4.103 5.044) 7.013 3.910 ( 1.599 3.363 -6.194) 7.227 4.051 ( 1.222 -2.497 -5.978) 6.593 4.523 ( 1.408 0.858 0.066) 1.650 4.601 ( -0.383 -2.640 2.349) 3.555 5.784 ( -1.035 6.056 -2.994) 6.835 6.004 ( 2.220 -5.133 -2.462) 6.110 6.322 ( 1.306 5.756 -3.869) 7.057 6.544 ( 3.072 -4.586 -1.742) 5.788 6.758 ( -0.234 18.534 0.906) 18.557 7.027 ( 0.597 5.804 0.523) 5.858 8.953 ( 2.409 6.999 9.597) 12.120 9.185 ( 0.594 -3.635 7.409) 8.274 10.125 ( 2.072 9.620 2.658) 10.193 10.529 ( 1.415 -7.489 10.180) 12.717 10.768 ( -3.854 6.767 -8.051) 11.201 11.027 ( 3.148 4.258 9.454) 10.836 11.183 ( -4.141 -10.038 -7.825) 13.385 11.241 ( 1.323 -6.305 9.238) 11.263 11.660 ( 0.975 2.472 -2.794) 3.855 11.873 ( -0.119 -2.605 -0.113) 2.610 12.132 ( -4.748 -1.504 -16.921) 17.638 12.286 ( -3.110 -5.280 -11.213) 12.778 14.814 ( 0.482 3.387 -1.201) 3.626 14.913 ( 0.756 -0.287 -1.031) 1.310 15.134 ( 3.489 2.076 3.707) 5.498 15.236 ( 3.278 -3.528 5.837) 7.567 22.392 ( -1.881 -0.908 2.216) 3.046 22.589 ( -9.234 -9.915 0.387) 13.554 24.132 ( 3.313 -2.195 3.400) 5.231 24.193 ( -1.464 -4.577 4.828) 6.812 26.188 ( 1.855 14.674 -1.075) 14.829 26.407 ( 5.080 5.118 -5.097) 8.830 28.703 ( 0.348 0.811 -0.683) 1.116 28.762 ( -0.459 -1.653 0.201) 1.727 ======================= Grid point 257 (138/145) ======================= q-point: ( 0.00 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( -0.439 -4.765 -0.618) 4.825 1.688 ( -0.439 4.765 -0.618) 4.825 1.873 ( 0.328 -7.605 0.345) 7.620 1.873 ( 0.328 7.605 0.345) 7.620 2.457 ( 0.788 -3.217 2.686) 4.264 2.457 ( 0.788 3.217 2.686) 4.264 2.821 ( 1.236 -4.602 5.157) 7.021 2.821 ( 1.236 4.602 5.157) 7.021 3.188 ( -1.429 -8.482 -1.131) 8.676 3.188 ( -1.429 8.482 -1.131) 8.676 3.386 ( 0.192 -0.930 -1.225) 1.550 3.386 ( 0.192 0.930 -1.225) 1.550 3.615 ( 1.751 -7.790 3.948) 8.907 3.615 ( 1.751 7.790 3.948) 8.907 3.948 ( -0.969 -2.673 -5.219) 5.943 3.948 ( -0.969 2.673 -5.219) 5.943 4.575 ( 1.011 -1.652 -0.201) 1.947 4.575 ( 1.011 1.652 -0.201) 1.947 5.883 ( 0.291 -6.012 -2.636) 6.571 5.883 ( 0.291 6.012 -2.636) 6.571 6.440 ( 0.027 -6.180 -1.780) 6.432 6.440 ( 0.027 6.180 -1.780) 6.432 7.040 ( 0.303 -6.471 0.245) 6.483 7.040 ( 0.303 6.471 0.245) 6.483 9.145 ( -2.455 -4.963 8.168) 9.868 9.145 ( -2.455 4.963 8.168) 9.868 10.441 ( 3.811 -10.244 5.564) 12.264 10.441 ( 3.811 10.244 5.564) 12.264 10.835 ( -4.060 -9.827 -4.809) 11.669 10.835 ( -4.060 9.827 -4.809) 11.669 11.202 ( 1.815 -5.105 3.170) 6.278 11.202 ( 1.815 5.105 3.170) 6.278 11.788 ( 2.919 -6.826 4.488) 8.675 11.788 ( 2.919 6.826 4.488) 8.675 12.008 ( -4.717 -5.899 -13.250) 15.252 12.008 ( -4.717 5.899 -13.250) 15.252 14.879 ( -0.421 -2.741 -0.304) 2.790 14.879 ( -0.421 2.741 -0.304) 2.790 15.243 ( 1.071 -2.578 1.991) 3.429 15.243 ( 1.071 2.578 1.991) 3.429 22.377 ( -1.100 -2.159 1.924) 3.094 22.377 ( -1.100 2.159 1.924) 3.094 24.172 ( 1.906 -0.888 1.046) 2.349 24.172 ( 1.906 0.888 1.046) 2.349 26.411 ( -0.405 -5.806 -1.689) 6.060 26.411 ( -0.405 5.806 -1.689) 6.060 28.725 ( -0.114 -1.683 -0.112) 1.690 28.725 ( -0.114 1.683 -0.112) 1.690 ======================= Grid point 259 (139/145) ======================= q-point: ( 0.12 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.765 ( 5.612 -5.003 0.739) 7.555 1.765 ( 5.612 5.003 0.739) 7.555 1.923 ( 6.801 -4.199 -0.854) 8.038 1.923 ( 6.801 4.199 -0.854) 8.038 2.560 ( 8.516 -7.161 0.460) 11.136 2.560 ( 8.516 7.161 0.460) 11.136 2.846 ( -0.376 -4.107 -0.699) 4.183 2.846 ( -0.376 4.107 -0.699) 4.183 3.136 ( -3.875 -6.703 1.799) 7.949 3.136 ( -3.875 6.703 1.799) 7.949 3.373 ( -0.892 -2.760 -0.723) 2.989 3.373 ( -0.892 2.760 -0.723) 2.989 3.601 ( -4.044 -10.270 -2.009) 11.219 3.601 ( -4.044 10.270 -2.009) 11.219 3.938 ( 2.296 -1.829 -0.437) 2.968 3.938 ( 2.296 1.829 -0.437) 2.968 4.584 ( 0.382 -2.843 -1.754) 3.362 4.584 ( 0.382 2.843 -1.754) 3.362 5.875 ( 0.425 -5.286 -1.458) 5.499 5.875 ( 0.425 5.286 -1.458) 5.499 6.418 ( -1.394 -6.048 -0.635) 6.239 6.418 ( -1.394 6.048 -0.635) 6.239 7.047 ( 0.399 -6.232 -0.495) 6.264 7.047 ( 0.399 6.232 -0.495) 6.264 9.104 ( -6.871 -5.524 7.101) 11.320 9.104 ( -6.871 5.524 7.101) 11.320 10.486 ( -0.436 -12.741 -4.970) 13.683 10.486 ( -0.436 12.741 -4.970) 13.683 10.791 ( -0.131 -8.576 5.945) 10.436 10.791 ( -0.131 8.576 5.945) 10.436 11.245 ( 2.176 -5.374 -1.633) 6.023 11.245 ( 2.176 5.374 -1.633) 6.023 11.816 ( -3.438 -5.740 -8.942) 11.168 11.816 ( -3.438 5.740 -8.942) 11.168 11.946 ( 4.814 -4.455 8.746) 10.932 11.946 ( 4.814 4.455 8.746) 10.932 14.863 ( -1.282 -2.599 0.635) 2.967 14.863 ( -1.282 2.599 0.635) 2.967 15.237 ( -1.903 -3.035 -1.245) 3.792 15.237 ( -1.903 3.035 -1.245) 3.792 22.416 ( 3.308 -3.807 2.903) 5.819 22.416 ( 3.308 3.807 2.903) 5.819 24.209 ( 2.592 -2.442 -3.304) 4.858 24.209 ( 2.592 2.442 -3.304) 4.858 26.367 ( -3.481 -5.282 0.148) 6.328 26.367 ( -3.481 5.282 0.148) 6.328 28.723 ( -0.104 -2.059 0.151) 2.067 28.723 ( -0.104 2.059 0.151) 2.067 ======================= Grid point 261 (140/145) ======================= q-point: ( 0.25 -0.50 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.832 ( 1.818 -6.126 -0.048) 6.390 1.832 ( 1.818 6.126 -0.048) 6.390 2.138 ( 13.326 -3.757 0.082) 13.846 2.138 ( 13.326 3.757 0.082) 13.846 2.760 ( 7.588 -9.138 -1.377) 11.957 2.760 ( 7.588 9.138 -1.377) 11.957 2.806 ( 3.028 -1.439 -6.444) 7.263 2.806 ( 3.028 1.439 -6.444) 7.263 3.073 ( -4.957 -5.260 5.864) 9.308 3.073 ( -4.957 5.260 5.864) 9.308 3.338 ( -2.548 -2.855 -0.196) 3.832 3.338 ( -2.548 2.855 -0.196) 3.832 3.490 ( -3.821 -9.320 -3.995) 10.836 3.490 ( -3.821 9.320 -3.995) 10.836 3.995 ( 3.163 -2.710 -0.859) 4.253 3.995 ( 3.163 2.710 -0.859) 4.253 4.558 ( -1.700 -4.088 -2.299) 4.989 4.558 ( -1.700 4.088 -2.299) 4.989 5.884 ( 1.242 -3.250 -0.297) 3.492 5.884 ( 1.242 3.250 -0.297) 3.492 6.379 ( -2.342 -4.874 -0.018) 5.408 6.379 ( -2.342 4.874 -0.018) 5.408 7.048 ( 0.249 -5.512 -1.101) 5.626 7.048 ( 0.249 5.512 -1.101) 5.626 8.994 ( -8.620 -7.064 6.111) 12.711 8.994 ( -8.620 7.064 6.111) 12.711 10.407 ( -2.254 -11.347 -6.678) 13.358 10.407 ( -2.254 11.347 -6.678) 13.358 10.852 ( 0.169 -9.285 7.926) 12.209 10.852 ( 0.169 9.285 7.926) 12.209 11.258 ( 1.514 -3.179 -6.146) 7.084 11.258 ( 1.514 3.179 -6.146) 7.084 11.723 ( -1.127 -6.092 -1.742) 6.435 11.723 ( -1.127 6.092 -1.742) 6.435 12.125 ( 6.261 -5.086 9.153) 12.200 12.125 ( 6.261 5.086 9.153) 12.200 14.841 ( -1.522 -2.241 1.236) 2.977 14.841 ( -1.522 2.241 1.236) 2.977 15.165 ( -3.510 -3.273 -3.475) 5.925 15.165 ( -3.510 3.273 -3.475) 5.925 22.528 ( 5.280 -7.016 4.437) 9.838 22.528 ( 5.280 7.016 4.437) 9.838 24.220 ( 2.055 -4.031 -7.239) 8.537 24.220 ( 2.055 4.031 -7.239) 8.537 26.293 ( -4.351 -3.631 1.566) 5.880 26.293 ( -4.351 3.631 1.566) 5.880 28.722 ( -0.157 -2.140 0.250) 2.160 28.722 ( -0.157 2.140 0.250) 2.160 ======================= Grid point 263 (141/145) ======================= q-point: ( 0.38 -0.50 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.854 ( 0.891 -6.627 -0.696) 6.722 1.854 ( 0.891 6.627 -0.696) 6.722 2.358 ( 7.747 -2.891 1.226) 8.359 2.358 ( 7.747 2.891 1.226) 8.359 2.696 ( -1.770 -4.186 -5.857) 7.413 2.696 ( -1.770 4.186 -5.857) 7.413 2.924 ( 0.093 -3.510 -3.175) 4.734 2.924 ( 0.093 3.510 -3.175) 4.734 3.085 ( 2.679 -8.106 7.115) 11.113 3.085 ( 2.679 8.106 7.115) 11.113 3.296 ( 0.702 -2.041 -2.111) 3.019 3.296 ( 0.702 2.041 -2.111) 3.019 3.432 ( -0.143 -4.352 -0.979) 4.463 3.432 ( -0.143 4.352 -0.979) 4.463 4.019 ( 0.504 -3.989 -3.819) 5.545 4.019 ( 0.504 3.989 -3.819) 5.545 4.501 ( -2.135 -4.621 -1.895) 5.432 4.501 ( -2.135 4.621 -1.895) 5.432 5.917 ( 1.985 -1.198 0.320) 2.341 5.917 ( 1.985 1.198 0.320) 2.341 6.334 ( -1.891 -3.176 -0.460) 3.725 6.334 ( -1.891 3.176 -0.460) 3.725 7.041 ( -0.089 -4.120 -1.209) 4.295 7.041 ( -0.089 4.120 -1.209) 4.295 8.879 ( -6.858 -8.594 5.808) 12.435 8.879 ( -6.858 8.594 5.808) 12.435 10.332 ( -1.861 -7.655 -3.354) 8.562 10.332 ( -1.861 7.655 -3.354) 8.562 10.888 ( -1.061 -9.613 5.625) 11.189 10.888 ( -1.061 9.613 5.625) 11.189 11.217 ( -0.208 -1.889 -8.444) 8.655 11.217 ( -0.208 1.889 -8.444) 8.655 11.751 ( 2.008 -6.696 4.804) 8.482 11.751 ( 2.008 6.696 4.804) 8.482 12.285 ( 5.148 -4.423 4.606) 8.203 12.285 ( 5.148 4.423 4.606) 8.203 14.824 ( -1.052 -1.646 1.296) 2.344 14.824 ( -1.052 1.646 1.296) 2.344 15.074 ( -2.978 -3.545 -3.618) 5.876 15.074 ( -2.978 3.545 -3.618) 5.876 22.656 ( 3.790 -9.817 5.817) 12.024 22.656 ( 3.790 9.817 5.817) 12.024 24.188 ( 0.294 -5.320 -8.630) 10.143 24.188 ( 0.294 5.320 -8.630) 10.143 26.236 ( -2.374 -1.352 1.695) 3.216 26.236 ( -2.374 1.352 1.695) 3.216 28.720 ( -0.156 -1.804 0.166) 1.818 28.720 ( -0.156 1.804 0.166) 1.818 ======================= Grid point 265 (142/145) ======================= q-point: (-0.50 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.857 ( -0.064 -7.586 -0.609) 7.611 1.857 ( -0.064 7.586 -0.609) 7.611 2.420 ( -1.379 -5.550 1.109) 5.825 2.420 ( -1.379 5.550 1.109) 5.825 2.664 ( -1.316 -3.061 -0.886) 3.448 2.664 ( -1.316 3.061 -0.886) 3.448 2.854 ( -4.005 -4.196 2.650) 6.377 2.854 ( -4.005 4.196 2.650) 6.377 3.137 ( 1.524 -2.215 -0.525) 2.739 3.137 ( 1.524 2.215 -0.525) 2.739 3.305 ( -2.092 -3.629 0.706) 4.248 3.305 ( -2.092 3.629 0.706) 4.248 3.489 ( 5.738 -2.682 -2.806) 6.927 3.489 ( 5.738 2.682 -2.806) 6.927 3.978 ( -0.730 -6.224 -3.563) 7.208 3.978 ( -0.730 6.224 -3.563) 7.208 4.469 ( 0.020 -4.083 -1.347) 4.299 4.469 ( 0.020 4.083 -1.347) 4.299 5.950 ( 1.013 -1.193 -0.324) 1.598 5.950 ( 1.013 1.193 -0.324) 1.598 6.315 ( 0.916 -1.982 -1.454) 2.623 6.315 ( 0.916 1.982 -1.454) 2.623 7.031 ( -0.245 -3.031 -0.655) 3.110 7.031 ( -0.245 3.031 -0.655) 3.110 8.826 ( -2.579 -9.230 6.258) 11.446 8.826 ( -2.579 9.230 6.258) 11.446 10.288 ( -1.692 -4.971 -0.026) 5.251 10.288 ( -1.692 4.971 -0.026) 5.251 10.897 ( -1.214 -8.637 4.549) 9.838 10.897 ( -1.214 8.637 4.549) 9.838 11.160 ( -0.281 -3.657 -5.913) 6.958 11.160 ( -0.281 3.657 -5.913) 6.958 11.824 ( 2.108 -5.581 2.965) 6.662 11.824 ( 2.108 5.581 2.965) 6.662 12.376 ( 2.902 -3.273 -0.787) 4.444 12.376 ( 2.902 3.273 -0.787) 4.444 14.822 ( 0.136 -1.093 0.881) 1.410 14.822 ( 0.136 1.093 0.881) 1.410 15.015 ( -1.142 -3.841 -1.627) 4.325 15.015 ( -1.142 3.841 -1.627) 4.325 22.727 ( -0.833 -11.242 5.465) 12.527 22.727 ( -0.833 11.242 5.465) 12.527 24.128 ( -1.105 -5.817 -5.664) 8.194 24.128 ( -1.105 5.817 -5.664) 8.194 26.231 ( 1.175 -1.208 0.157) 1.693 26.231 ( 1.175 1.208 0.157) 1.693 28.720 ( 0.040 -1.456 0.050) 1.457 28.720 ( 0.040 1.456 0.050) 1.457 ======================= Grid point 267 (143/145) ======================= q-point: (-0.38 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.848 ( -0.602 -8.339 -0.170) 8.362 1.848 ( -0.602 8.339 -0.170) 8.362 2.355 ( -7.212 -7.898 1.827) 10.850 2.355 ( -7.212 7.898 1.827) 10.850 2.584 ( -5.493 -4.404 4.709) 8.471 2.584 ( -5.493 4.404 4.709) 8.471 2.827 ( -3.930 -3.214 4.145) 6.554 2.827 ( -3.930 3.214 4.145) 6.554 3.165 ( -1.023 -3.750 3.502) 5.232 3.165 ( -1.023 3.750 3.502) 5.232 3.252 ( 0.960 -3.985 -4.042) 5.757 3.252 ( 0.960 3.985 -4.042) 5.757 3.530 ( 2.017 -4.210 -6.251) 7.802 3.530 ( 2.017 4.210 -6.251) 7.802 3.983 ( 2.025 -5.871 -0.733) 6.253 3.983 ( 2.025 5.871 -0.733) 6.253 4.481 ( 1.709 -3.559 -0.360) 3.965 4.481 ( 1.709 3.559 -0.360) 3.965 5.946 ( -0.409 -1.542 -2.070) 2.614 5.946 ( -0.409 1.542 -2.070) 2.614 6.350 ( 3.654 -2.442 -2.181) 4.906 6.350 ( 3.654 2.442 -2.181) 4.906 7.026 ( -0.148 -3.902 0.210) 3.910 7.026 ( -0.148 3.902 0.210) 3.910 8.866 ( 1.746 -8.637 7.189) 11.372 8.866 ( 1.746 8.637 7.189) 11.372 10.265 ( -1.609 -5.848 2.768) 6.668 10.265 ( -1.609 5.848 2.768) 6.668 10.914 ( -0.005 -7.105 4.621) 8.475 10.914 ( -0.005 7.105 4.621) 8.475 11.128 ( -0.431 -6.001 -2.273) 6.431 11.128 ( -0.431 6.001 -2.273) 6.431 11.851 ( 0.495 -4.772 -2.951) 5.632 11.851 ( 0.495 4.772 -2.951) 5.632 12.386 ( 0.426 -1.148 -5.542) 5.676 12.386 ( 0.426 1.148 -5.542) 5.676 14.842 ( 1.492 -1.463 -0.089) 2.091 14.842 ( 1.492 1.463 -0.089) 2.091 15.013 ( 0.989 -3.524 1.746) 4.056 15.013 ( 0.989 3.524 1.746) 4.056 22.689 ( -6.033 -10.749 3.265) 12.752 22.689 ( -6.033 10.749 3.265) 12.752 24.087 ( -0.968 -5.136 0.169) 5.230 24.087 ( -0.968 5.136 0.169) 5.230 26.278 ( 4.045 -3.055 -2.047) 5.466 26.278 ( 4.045 3.055 -2.047) 5.466 28.723 ( 0.269 -1.952 -0.063) 1.972 28.723 ( 0.269 1.952 -0.063) 1.972 ======================= Grid point 269 (144/145) ======================= q-point: (-0.25 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.832 ( -0.981 -8.191 -0.259) 8.253 1.832 ( -0.981 8.191 -0.259) 8.253 2.146 ( -13.820 -8.002 -0.229) 15.971 2.146 ( -13.820 8.002 -0.229) 15.971 2.570 ( -4.115 -1.286 11.691) 12.460 2.570 ( -4.115 1.286 11.691) 12.460 2.723 ( -6.594 -4.392 3.751) 8.766 2.723 ( -6.594 4.392 3.751) 8.766 3.164 ( 0.995 -4.779 0.751) 4.939 3.164 ( 0.995 4.779 0.751) 4.939 3.314 ( 4.779 -4.142 -0.903) 6.388 3.314 ( 4.779 4.142 -0.903) 6.388 3.519 ( 1.554 -1.714 -5.412) 5.885 3.519 ( 1.554 1.714 -5.412) 5.885 4.008 ( 1.194 -4.398 -2.093) 5.015 4.008 ( 1.194 4.398 -2.093) 5.015 4.520 ( 1.753 -2.749 1.110) 3.444 4.520 ( 1.753 2.749 1.110) 3.444 5.919 ( -0.227 -3.242 -3.280) 4.618 5.919 ( -0.227 3.242 -3.280) 4.618 6.406 ( 3.461 -3.814 -2.747) 5.837 6.406 ( 3.461 3.814 -2.747) 5.837 7.027 ( -0.042 -5.497 0.752) 5.548 7.027 ( -0.042 5.497 0.752) 5.548 8.974 ( 3.628 -7.195 8.142) 11.455 8.974 ( 3.628 7.195 8.142) 11.455 10.270 ( -0.430 -8.467 5.464) 10.086 10.270 ( -0.430 8.467 5.464) 10.086 10.956 ( 1.554 -6.753 1.455) 7.081 10.956 ( 1.554 6.753 1.455) 7.081 11.109 ( -1.609 -6.476 3.114) 7.364 11.109 ( -1.609 6.476 3.114) 7.364 11.810 ( -0.825 -5.845 -6.930) 9.103 11.810 ( -0.825 5.845 -6.930) 9.103 12.319 ( -1.970 -2.161 -9.776) 10.204 12.319 ( -1.970 2.161 -9.776) 10.204 14.868 ( 1.561 -2.303 -1.296) 3.069 14.868 ( 1.561 2.303 -1.296) 3.069 15.076 ( 3.088 -2.633 4.711) 6.218 15.076 ( 3.088 2.633 4.711) 6.218 22.562 ( -8.023 -8.321 1.623) 11.672 22.562 ( -8.023 8.321 1.623) 11.672 24.092 ( -0.183 -3.534 4.139) 5.445 24.092 ( -0.183 3.534 4.139) 5.445 26.347 ( 4.739 -4.488 -3.347) 7.335 26.347 ( 4.739 4.488 -3.347) 7.335 28.727 ( 0.242 -2.020 -0.217) 2.046 28.727 ( 0.242 2.020 -0.217) 2.046 ======================= Grid point 271 (145/145) ======================= q-point: (-0.12 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.71e-05 2.71e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.784 ( -5.192 -5.031 -1.268) 7.341 1.784 ( -5.192 5.031 -1.268) 7.341 1.911 ( -7.131 -6.730 0.479) 9.817 1.911 ( -7.131 6.730 0.479) 9.817 2.493 ( -7.143 -4.458 6.231) 10.475 2.493 ( -7.143 4.458 6.231) 10.475 2.742 ( 1.686 -5.224 8.145) 9.822 2.742 ( 1.686 5.224 8.145) 9.822 3.195 ( 1.632 -7.984 -1.497) 8.285 3.195 ( 1.632 7.984 -1.497) 8.285 3.377 ( 1.647 -2.221 -0.074) 2.766 3.377 ( 1.647 2.221 -0.074) 2.766 3.540 ( 2.968 -4.619 0.290) 5.498 3.540 ( 2.968 4.619 0.290) 5.498 3.997 ( 0.065 -3.605 -4.930) 6.108 3.997 ( 0.065 3.605 -4.930) 6.108 4.553 ( 0.868 -1.913 1.280) 2.460 4.553 ( 0.868 1.913 1.280) 2.460 5.897 ( 0.268 -5.101 -3.383) 6.127 5.897 ( 0.268 5.101 -3.383) 6.127 6.438 ( 1.744 -5.268 -2.673) 6.159 6.438 ( 1.744 5.268 -2.673) 6.159 7.033 ( 0.101 -6.366 0.738) 6.409 7.033 ( 0.101 6.366 0.738) 6.409 9.090 ( 1.968 -5.698 8.584) 10.490 9.090 ( 1.968 5.698 8.584) 10.490 10.330 ( 2.219 -10.063 7.396) 12.684 10.330 ( 2.219 10.063 7.396) 12.684 10.943 ( -1.882 -9.811 -6.062) 11.685 10.943 ( -1.882 9.811 -6.062) 11.685 11.136 ( 0.461 -5.118 8.301) 9.763 11.136 ( 0.461 5.118 8.301) 9.763 11.758 ( 0.118 -6.334 -3.888) 7.433 11.758 ( 0.118 6.334 -3.888) 7.433 12.184 ( -3.940 -4.495 -12.961) 14.273 12.184 ( -3.940 4.495 -12.961) 14.273 14.881 ( 0.681 -2.686 -1.193) 3.017 14.881 ( 0.681 2.686 -1.193) 3.017 15.175 ( 3.313 -2.226 4.582) 6.077 15.175 ( 3.313 2.226 4.582) 6.077 22.433 ( -5.773 -4.817 1.419) 7.651 22.433 ( -5.773 4.817 1.419) 7.651 24.127 ( 0.789 -1.623 4.087) 4.468 24.127 ( 0.789 1.623 4.087) 4.468 26.402 ( 2.967 -5.428 -3.106) 6.922 26.402 ( 2.967 5.428 -3.106) 6.922 28.728 ( 0.002 -1.501 -0.283) 1.527 28.728 ( 0.002 1.501 -0.283) 1.527 =================== 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 3/21504 10.0 405.620 544.043 531.686 0.000 127.329 0.000 3/21504 20.0 90.939 127.248 75.692 0.000 19.881 0.000 3/21504 30.0 40.487 58.412 31.563 0.000 8.097 0.000 3/21504 40.0 24.866 36.075 19.217 0.000 4.769 0.000 3/21504 50.0 17.709 25.729 13.711 0.000 3.297 0.000 3/21504 60.0 13.685 19.909 10.640 0.000 2.489 0.000 3/21504 70.0 11.136 16.232 8.705 0.000 1.988 0.000 3/21504 80.0 9.388 13.719 7.385 0.000 1.649 0.000 3/21504 90.0 8.120 11.901 6.434 0.000 1.408 0.000 3/21504 100.0 7.160 10.526 5.716 0.000 1.227 0.000 3/21504 110.0 6.409 9.450 5.157 0.000 1.088 0.000 3/21504 120.0 5.805 8.585 4.707 0.000 0.978 0.000 3/21504 130.0 5.310 7.874 4.338 0.000 0.889 0.000 3/21504 140.0 4.896 7.279 4.029 0.000 0.815 0.000 3/21504 150.0 4.545 6.773 3.766 0.000 0.753 0.000 3/21504 160.0 4.244 6.338 3.539 0.000 0.701 0.000 3/21504 170.0 3.983 5.959 3.341 0.000 0.655 0.000 3/21504 180.0 3.754 5.626 3.167 0.000 0.616 0.000 3/21504 190.0 3.551 5.332 3.013 0.000 0.581 0.000 3/21504 200.0 3.371 5.069 2.875 0.000 0.550 0.000 3/21504 210.0 3.210 4.833 2.751 0.000 0.522 0.000 3/21504 220.0 3.065 4.620 2.638 0.000 0.497 0.000 3/21504 230.0 2.933 4.426 2.535 0.000 0.475 0.000 3/21504 240.0 2.813 4.249 2.441 0.000 0.454 0.000 3/21504 250.0 2.703 4.087 2.355 0.000 0.436 0.000 3/21504 260.0 2.602 3.938 2.275 0.000 0.418 0.000 3/21504 270.0 2.509 3.800 2.201 0.000 0.403 0.000 3/21504 280.0 2.422 3.672 2.132 0.000 0.388 0.000 3/21504 290.0 2.342 3.553 2.068 0.000 0.374 0.000 3/21504 300.0 2.267 3.442 2.007 0.000 0.362 0.000 3/21504 310.0 2.198 3.337 1.951 0.000 0.350 0.000 3/21504 320.0 2.132 3.240 1.897 0.000 0.339 0.000 3/21504 330.0 2.071 3.148 1.847 0.000 0.329 0.000 3/21504 340.0 2.013 3.061 1.800 0.000 0.319 0.000 3/21504 350.0 1.958 2.980 1.755 0.000 0.310 0.000 3/21504 360.0 1.907 2.902 1.712 0.000 0.301 0.000 3/21504 370.0 1.858 2.829 1.671 0.000 0.293 0.000 3/21504 380.0 1.811 2.759 1.632 0.000 0.285 0.000 3/21504 390.0 1.767 2.693 1.595 0.000 0.278 0.000 3/21504 400.0 1.725 2.630 1.560 0.000 0.271 0.000 3/21504 410.0 1.685 2.570 1.526 0.000 0.264 0.000 3/21504 420.0 1.647 2.513 1.494 0.000 0.258 0.000 3/21504 430.0 1.611 2.458 1.463 0.000 0.252 0.000 3/21504 440.0 1.576 2.405 1.434 0.000 0.246 0.000 3/21504 450.0 1.543 2.355 1.405 0.000 0.241 0.000 3/21504 460.0 1.511 2.307 1.378 0.000 0.236 0.000 3/21504 470.0 1.480 2.261 1.351 0.000 0.231 0.000 3/21504 480.0 1.451 2.216 1.326 0.000 0.226 0.000 3/21504 490.0 1.423 2.173 1.302 0.000 0.221 0.000 3/21504 500.0 1.396 2.132 1.278 0.000 0.217 0.000 3/21504 510.0 1.370 2.093 1.255 0.000 0.212 0.000 3/21504 520.0 1.344 2.055 1.233 0.000 0.208 0.000 3/21504 530.0 1.320 2.018 1.212 0.000 0.204 0.000 3/21504 540.0 1.297 1.982 1.192 0.000 0.201 0.000 3/21504 550.0 1.274 1.948 1.172 0.000 0.197 0.000 3/21504 560.0 1.253 1.915 1.153 0.000 0.194 0.000 3/21504 570.0 1.231 1.883 1.134 0.000 0.190 0.000 3/21504 580.0 1.211 1.852 1.116 0.000 0.187 0.000 3/21504 590.0 1.191 1.822 1.099 0.000 0.184 0.000 3/21504 600.0 1.172 1.793 1.082 0.000 0.181 0.000 3/21504 610.0 1.154 1.765 1.066 0.000 0.178 0.000 3/21504 620.0 1.136 1.738 1.050 0.000 0.175 0.000 3/21504 630.0 1.119 1.712 1.034 0.000 0.172 0.000 3/21504 640.0 1.102 1.686 1.019 0.000 0.169 0.000 3/21504 650.0 1.085 1.661 1.005 0.000 0.167 0.000 3/21504 660.0 1.070 1.637 0.990 0.000 0.164 0.000 3/21504 670.0 1.054 1.613 0.977 0.000 0.162 0.000 3/21504 680.0 1.039 1.591 0.963 0.000 0.159 0.000 3/21504 690.0 1.025 1.568 0.950 0.000 0.157 0.000 3/21504 700.0 1.010 1.547 0.937 0.000 0.155 0.000 3/21504 710.0 0.997 1.526 0.925 0.000 0.153 0.000 3/21504 720.0 0.983 1.505 0.913 0.000 0.151 0.000 3/21504 730.0 0.970 1.485 0.901 0.000 0.149 0.000 3/21504 740.0 0.957 1.466 0.890 0.000 0.147 0.000 3/21504 750.0 0.945 1.447 0.879 0.000 0.145 0.000 3/21504 760.0 0.933 1.429 0.868 0.000 0.143 0.000 3/21504 770.0 0.921 1.411 0.857 0.000 0.141 0.000 3/21504 780.0 0.910 1.393 0.847 0.000 0.139 0.000 3/21504 790.0 0.899 1.376 0.837 0.000 0.137 0.000 3/21504 800.0 0.888 1.360 0.827 0.000 0.136 0.000 3/21504 810.0 0.877 1.343 0.817 0.000 0.134 0.000 3/21504 820.0 0.867 1.327 0.807 0.000 0.132 0.000 3/21504 830.0 0.856 1.312 0.798 0.000 0.131 0.000 3/21504 840.0 0.846 1.297 0.789 0.000 0.129 0.000 3/21504 850.0 0.837 1.282 0.780 0.000 0.128 0.000 3/21504 860.0 0.827 1.267 0.772 0.000 0.126 0.000 3/21504 870.0 0.818 1.253 0.763 0.000 0.125 0.000 3/21504 880.0 0.809 1.239 0.755 0.000 0.123 0.000 3/21504 890.0 0.800 1.226 0.747 0.000 0.122 0.000 3/21504 900.0 0.791 1.212 0.739 0.000 0.120 0.000 3/21504 910.0 0.783 1.200 0.731 0.000 0.119 0.000 3/21504 920.0 0.775 1.187 0.724 0.000 0.118 0.000 3/21504 930.0 0.766 1.174 0.716 0.000 0.117 0.000 3/21504 940.0 0.758 1.162 0.709 0.000 0.115 0.000 3/21504 950.0 0.751 1.150 0.702 0.000 0.114 0.000 3/21504 960.0 0.743 1.139 0.695 0.000 0.113 0.000 3/21504 970.0 0.735 1.127 0.688 0.000 0.112 0.000 3/21504 980.0 0.728 1.116 0.681 0.000 0.111 0.000 3/21504 990.0 0.721 1.105 0.674 0.000 0.110 0.000 3/21504 1000.0 0.714 1.094 0.668 0.000 0.108 0.000 3/21504 Thermal conductivity related properties were written into "kappa-m887.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:48:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|