----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 23:42:19]------------------------- 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: [3 2 2] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) Number of symmetry operations in supercell: 96 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.803879825013436 -2.805270745000000 0.000000000000000 b 2.803879825013436 2.805270745000000 0.000000000000000 c -2.800971109845891 0.000000000000000 6.328165381025783 Atomic positions (fractional): *1 Bi 0.15272276081707 0.15272276081707 0.30518844708536 208.980 2 Bi 0.84727723918293 0.84727723918293 0.69481155291464 208.980 *3 Te 0.50000000000000 0.50000000000000 0.00000000000000 127.600 *4 O 0.25003113055117 0.74996886944883 0.50000000000000 15.999 5 O 0.74996886944883 0.25003113055117 0.50000000000000 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.607759650026871 0.000000000000000 0.000000000000000 b 0.000000000000000 5.610541490000000 0.000000000000000 c -2.800971109845891 0.000000000000000 6.328165381025783 Atomic positions (fractional): *1 Bi 0.15272276081707 0.00000000000000 0.30518844708536 208.980 > 1 2 Bi 0.84727723918293 0.00000000000000 0.69481155291464 208.980 > 2 3 Bi 0.65272276081707 0.50000000000000 0.30518844708536 208.980 > 1 4 Bi 0.34727723918293 0.50000000000000 0.69481155291464 208.980 > 2 *5 Te 0.50000000000000 0.00000000000000 0.00000000000000 127.600 > 3 6 Te 0.00000000000000 0.50000000000000 0.00000000000000 127.600 > 3 *7 O 0.50000000000000 0.24996886944883 0.50000000000000 15.999 > 4 8 O 0.50000000000000 0.75003113055117 0.50000000000000 15.999 > 5 9 O 0.00000000000000 0.74996886944883 0.50000000000000 15.999 > 4 10 O 0.00000000000000 0.25003113055117 0.50000000000000 15.999 > 5 -------------------------------- super cell -------------------------------- Lattice vectors: a 16.823278950080613 0.000000000000000 0.000000000000000 b 0.000000000000000 11.221082980000000 0.000000000000000 c -5.601942219691782 0.000000000000000 12.656330762051565 Atomic positions (fractional): *1 Bi 0.05090758693902 0.00000000000000 0.15259422354268 208.980 > 1 2 Bi 0.38424092027236 0.00000000000000 0.15259422354268 208.980 > 1 3 Bi 0.71757425360569 0.00000000000000 0.15259422354268 208.980 > 1 4 Bi 0.05090758693902 0.50000000000000 0.15259422354268 208.980 > 1 5 Bi 0.38424092027236 0.50000000000000 0.15259422354268 208.980 > 1 6 Bi 0.71757425360569 0.50000000000000 0.15259422354268 208.980 > 1 7 Bi 0.05090758693902 0.00000000000000 0.65259422354268 208.980 > 1 8 Bi 0.38424092027236 0.00000000000000 0.65259422354268 208.980 > 1 9 Bi 0.71757425360569 0.00000000000000 0.65259422354268 208.980 > 1 10 Bi 0.05090758693902 0.50000000000000 0.65259422354268 208.980 > 1 11 Bi 0.38424092027236 0.50000000000000 0.65259422354268 208.980 > 1 12 Bi 0.71757425360569 0.50000000000000 0.65259422354268 208.980 > 1 13 Bi 0.28242574639431 0.00000000000000 0.34740577645732 208.980 > 2 14 Bi 0.61575907972764 0.00000000000000 0.34740577645732 208.980 > 2 15 Bi 0.94909241306098 0.00000000000000 0.34740577645732 208.980 > 2 16 Bi 0.28242574639431 0.50000000000000 0.34740577645732 208.980 > 2 17 Bi 0.61575907972764 0.50000000000000 0.34740577645732 208.980 > 2 18 Bi 0.94909241306098 0.50000000000000 0.34740577645732 208.980 > 2 19 Bi 0.28242574639431 0.00000000000000 0.84740577645732 208.980 > 2 20 Bi 0.61575907972764 0.00000000000000 0.84740577645732 208.980 > 2 21 Bi 0.94909241306098 0.00000000000000 0.84740577645732 208.980 > 2 22 Bi 0.28242574639431 0.50000000000000 0.84740577645732 208.980 > 2 23 Bi 0.61575907972764 0.50000000000000 0.84740577645732 208.980 > 2 24 Bi 0.94909241306098 0.50000000000000 0.84740577645732 208.980 > 2 25 Bi 0.21757425360569 0.25000000000000 0.15259422354268 208.980 > 1 26 Bi 0.55090758693902 0.25000000000000 0.15259422354268 208.980 > 1 27 Bi 0.88424092027236 0.25000000000000 0.15259422354268 208.980 > 1 28 Bi 0.21757425360569 0.75000000000000 0.15259422354268 208.980 > 1 29 Bi 0.55090758693902 0.75000000000000 0.15259422354268 208.980 > 1 30 Bi 0.88424092027236 0.75000000000000 0.15259422354268 208.980 > 1 31 Bi 0.21757425360569 0.25000000000000 0.65259422354268 208.980 > 1 32 Bi 0.55090758693902 0.25000000000000 0.65259422354268 208.980 > 1 33 Bi 0.88424092027236 0.25000000000000 0.65259422354268 208.980 > 1 34 Bi 0.21757425360569 0.75000000000000 0.65259422354268 208.980 > 1 35 Bi 0.55090758693902 0.75000000000000 0.65259422354268 208.980 > 1 36 Bi 0.88424092027236 0.75000000000000 0.65259422354268 208.980 > 1 37 Bi 0.11575907972764 0.25000000000000 0.34740577645732 208.980 > 2 38 Bi 0.44909241306098 0.25000000000000 0.34740577645732 208.980 > 2 39 Bi 0.78242574639431 0.25000000000000 0.34740577645732 208.980 > 2 40 Bi 0.11575907972764 0.75000000000000 0.34740577645732 208.980 > 2 41 Bi 0.44909241306098 0.75000000000000 0.34740577645732 208.980 > 2 42 Bi 0.78242574639431 0.75000000000000 0.34740577645732 208.980 > 2 43 Bi 0.11575907972764 0.25000000000000 0.84740577645732 208.980 > 2 44 Bi 0.44909241306098 0.25000000000000 0.84740577645732 208.980 > 2 45 Bi 0.78242574639431 0.25000000000000 0.84740577645732 208.980 > 2 46 Bi 0.11575907972764 0.75000000000000 0.84740577645732 208.980 > 2 47 Bi 0.44909241306098 0.75000000000000 0.84740577645732 208.980 > 2 48 Bi 0.78242574639431 0.75000000000000 0.84740577645732 208.980 > 2 *49 Te 0.16666666666667 0.00000000000000 0.00000000000000 127.600 > 3 50 Te 0.50000000000000 0.00000000000000 0.00000000000000 127.600 > 3 51 Te 0.83333333333333 0.00000000000000 0.00000000000000 127.600 > 3 52 Te 0.16666666666667 0.50000000000000 0.00000000000000 127.600 > 3 53 Te 0.50000000000000 0.50000000000000 0.00000000000000 127.600 > 3 54 Te 0.83333333333333 0.50000000000000 0.00000000000000 127.600 > 3 55 Te 0.16666666666667 0.00000000000000 0.50000000000000 127.600 > 3 56 Te 0.50000000000000 0.00000000000000 0.50000000000000 127.600 > 3 57 Te 0.83333333333333 0.00000000000000 0.50000000000000 127.600 > 3 58 Te 0.16666666666667 0.50000000000000 0.50000000000000 127.600 > 3 59 Te 0.50000000000000 0.50000000000000 0.50000000000000 127.600 > 3 60 Te 0.83333333333333 0.50000000000000 0.50000000000000 127.600 > 3 61 Te 0.00000000000000 0.25000000000000 0.00000000000000 127.600 > 3 62 Te 0.33333333333333 0.25000000000000 0.00000000000000 127.600 > 3 63 Te 0.66666666666667 0.25000000000000 0.00000000000000 127.600 > 3 64 Te 0.00000000000000 0.75000000000000 0.00000000000000 127.600 > 3 65 Te 0.33333333333333 0.75000000000000 0.00000000000000 127.600 > 3 66 Te 0.66666666666667 0.75000000000000 0.00000000000000 127.600 > 3 67 Te 0.00000000000000 0.25000000000000 0.50000000000000 127.600 > 3 68 Te 0.33333333333333 0.25000000000000 0.50000000000000 127.600 > 3 69 Te 0.66666666666667 0.25000000000000 0.50000000000000 127.600 > 3 70 Te 0.00000000000000 0.75000000000000 0.50000000000000 127.600 > 3 71 Te 0.33333333333333 0.75000000000000 0.50000000000000 127.600 > 3 72 Te 0.66666666666667 0.75000000000000 0.50000000000000 127.600 > 3 *73 O 0.16666666666667 0.12498443472442 0.25000000000000 15.999 > 4 74 O 0.50000000000000 0.12498443472442 0.25000000000000 15.999 > 4 75 O 0.83333333333333 0.12498443472442 0.25000000000000 15.999 > 4 76 O 0.16666666666667 0.62498443472442 0.25000000000000 15.999 > 4 77 O 0.50000000000000 0.62498443472442 0.25000000000000 15.999 > 4 78 O 0.83333333333333 0.62498443472442 0.25000000000000 15.999 > 4 79 O 0.16666666666667 0.12498443472442 0.75000000000000 15.999 > 4 80 O 0.50000000000000 0.12498443472442 0.75000000000000 15.999 > 4 81 O 0.83333333333333 0.12498443472442 0.75000000000000 15.999 > 4 82 O 0.16666666666667 0.62498443472442 0.75000000000000 15.999 > 4 83 O 0.50000000000000 0.62498443472442 0.75000000000000 15.999 > 4 84 O 0.83333333333333 0.62498443472442 0.75000000000000 15.999 > 4 85 O 0.16666666666667 0.37501556527558 0.25000000000000 15.999 > 5 86 O 0.50000000000000 0.37501556527558 0.25000000000000 15.999 > 5 87 O 0.83333333333333 0.37501556527558 0.25000000000000 15.999 > 5 88 O 0.16666666666667 0.87501556527558 0.25000000000000 15.999 > 5 89 O 0.50000000000000 0.87501556527558 0.25000000000000 15.999 > 5 90 O 0.83333333333333 0.87501556527558 0.25000000000000 15.999 > 5 91 O 0.16666666666667 0.37501556527558 0.75000000000000 15.999 > 5 92 O 0.50000000000000 0.37501556527558 0.75000000000000 15.999 > 5 93 O 0.83333333333333 0.37501556527558 0.75000000000000 15.999 > 5 94 O 0.16666666666667 0.87501556527558 0.75000000000000 15.999 > 5 95 O 0.50000000000000 0.87501556527558 0.75000000000000 15.999 > 5 96 O 0.83333333333333 0.87501556527558 0.75000000000000 15.999 > 5 97 O 0.00000000000000 0.37498443472442 0.25000000000000 15.999 > 4 98 O 0.33333333333333 0.37498443472442 0.25000000000000 15.999 > 4 99 O 0.66666666666667 0.37498443472442 0.25000000000000 15.999 > 4 100 O 0.00000000000000 0.87498443472442 0.25000000000000 15.999 > 4 101 O 0.33333333333333 0.87498443472442 0.25000000000000 15.999 > 4 102 O 0.66666666666667 0.87498443472442 0.25000000000000 15.999 > 4 103 O 0.00000000000000 0.37498443472442 0.75000000000000 15.999 > 4 104 O 0.33333333333333 0.37498443472442 0.75000000000000 15.999 > 4 105 O 0.66666666666667 0.37498443472442 0.75000000000000 15.999 > 4 106 O 0.00000000000000 0.87498443472442 0.75000000000000 15.999 > 4 107 O 0.33333333333333 0.87498443472442 0.75000000000000 15.999 > 4 108 O 0.66666666666667 0.87498443472442 0.75000000000000 15.999 > 4 109 O 0.00000000000000 0.12501556527558 0.25000000000000 15.999 > 5 110 O 0.33333333333333 0.12501556527558 0.25000000000000 15.999 > 5 111 O 0.66666666666667 0.12501556527558 0.25000000000000 15.999 > 5 112 O 0.00000000000000 0.62501556527558 0.25000000000000 15.999 > 5 113 O 0.33333333333333 0.62501556527558 0.25000000000000 15.999 > 5 114 O 0.66666666666667 0.62501556527558 0.25000000000000 15.999 > 5 115 O 0.00000000000000 0.12501556527558 0.75000000000000 15.999 > 5 116 O 0.33333333333333 0.12501556527558 0.75000000000000 15.999 > 5 117 O 0.66666666666667 0.12501556527558 0.75000000000000 15.999 > 5 118 O 0.00000000000000 0.62501556527558 0.75000000000000 15.999 > 5 119 O 0.33333333333333 0.62501556527558 0.75000000000000 15.999 > 5 120 O 0.66666666666667 0.62501556527558 0.75000000000000 15.999 > 5 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 16.3548611 0.0000000 0.1836062 0.0000000 16.4228243 0.0000000 0.1836057 0.0000000 12.0413550 -------------------------- Born effective charges -------------------------- 1 Bi 6.3632585 0.0000000 0.0132674 0.0000000 6.4017587 0.0000000 0.0159478 0.0000000 5.6737545 2 Bi 6.3632585 0.0000000 0.0132674 0.0000000 6.4017587 0.0000000 0.0159478 0.0000000 5.6737545 3 Te -3.9008047 0.0000000 -0.0208909 0.0000000 -4.0370822 0.0000000 -0.0327415 0.0000000 -3.0989491 4 O -4.4128561 0.0000000 -0.0028220 0.0000000 -4.3832177 0.0000000 0.0004229 0.0000000 -4.1242800 5 O -4.4128561 0.0000000 -0.0028220 0.0000000 -4.3832177 0.0000000 0.0004229 0.0000000 -4.1242800 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 360/360 Permutation basis: 3426/3426 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 788 Number of blocks in projector: 788 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 10 --- Eigsh_solver_block: 1 / 10 --- Block_size: 188 Use standard eigh solver. --- Eigsh_solver_block: 2 / 10 --- Block_size: 124 Use standard eigh solver. --- Eigsh_solver_block: 3 / 10 --- Block_size: 124 Use standard eigh solver. --- Eigsh_solver_block: 4 / 10 --- Block_size: 124 Use standard eigh solver. --- Eigsh_solver_block: 5 / 10 --- Block_size: 112 Use standard eigh solver. --- Eigsh_solver_block: 6 / 10 --- Block_size: 112 Use standard eigh solver. --- Eigsh_solver_block: 7 / 10 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 8 / 10 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 9 / 10 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 10 / 10 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (788, 774), data: False |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (112, 112), data: True |-- (112, 112), data: True |-- (124, 121), data: True |-- (124, 121), data: True |-- (124, 121), data: True |-- (188, 183), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 160 - Time: 0.819 Solver_block: 160 / 160 - Time: 0.526 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.359 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 360/360 Permutation basis: 3426/3426 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 788 Number of blocks in projector: 788 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 10 --- Eigsh_solver_block: 1 / 10 --- Block_size: 188 Use standard eigh solver. --- Eigsh_solver_block: 2 / 10 --- Block_size: 124 Use standard eigh solver. --- Eigsh_solver_block: 3 / 10 --- Block_size: 124 Use standard eigh solver. --- Eigsh_solver_block: 4 / 10 --- Block_size: 124 Use standard eigh solver. --- Eigsh_solver_block: 5 / 10 --- Block_size: 112 Use standard eigh solver. --- Eigsh_solver_block: 6 / 10 --- Block_size: 112 Use standard eigh solver. --- Eigsh_solver_block: 7 / 10 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 8 / 10 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 9 / 10 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 10 / 10 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (788, 774), data: False |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (112, 112), data: True |-- (112, 112), data: True |-- (124, 121), data: True |-- (124, 121), data: True |-- (124, 121), data: True |-- (188, 183), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 23:42:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:42:28]------------------------- 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): [3 2 2] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.803879825013436 -2.805270745000000 0.000000000000000 b 2.803879825013436 2.805270745000000 0.000000000000000 c -2.800971109845891 0.000000000000000 6.328165381025783 Atomic positions (fractional): 1 Bi 0.15272276081707 0.15272276081707 0.30518844708536 208.980 2 Bi 0.84727723918293 0.84727723918293 0.69481155291464 208.980 3 Te 0.50000000000000 0.50000000000000 0.00000000000000 127.600 4 O 0.25003113055117 0.74996886944883 0.50000000000000 15.999 5 O 0.74996886944883 0.25003113055117 0.50000000000000 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.823278950080613 0.000000000000000 0.000000000000000 b 0.000000000000000 11.221082980000000 0.000000000000000 c -5.601942219691782 0.000000000000000 12.656330762051565 Atomic positions (fractional): 1 Bi 0.05090758693902 0.00000000000000 0.15259422354268 208.980 > 1 2 Bi 0.38424092027236 0.00000000000000 0.15259422354268 208.980 > 1 3 Bi 0.71757425360569 0.00000000000000 0.15259422354268 208.980 > 1 4 Bi 0.05090758693902 0.50000000000000 0.15259422354268 208.980 > 1 5 Bi 0.38424092027236 0.50000000000000 0.15259422354268 208.980 > 1 6 Bi 0.71757425360569 0.50000000000000 0.15259422354268 208.980 > 1 7 Bi 0.05090758693902 0.00000000000000 0.65259422354268 208.980 > 1 8 Bi 0.38424092027236 0.00000000000000 0.65259422354268 208.980 > 1 9 Bi 0.71757425360569 0.00000000000000 0.65259422354268 208.980 > 1 10 Bi 0.05090758693902 0.50000000000000 0.65259422354268 208.980 > 1 11 Bi 0.38424092027236 0.50000000000000 0.65259422354268 208.980 > 1 12 Bi 0.71757425360569 0.50000000000000 0.65259422354268 208.980 > 1 13 Bi 0.28242574639431 0.00000000000000 0.34740577645732 208.980 > 13 14 Bi 0.61575907972764 0.00000000000000 0.34740577645732 208.980 > 13 15 Bi 0.94909241306098 0.00000000000000 0.34740577645732 208.980 > 13 16 Bi 0.28242574639431 0.50000000000000 0.34740577645732 208.980 > 13 17 Bi 0.61575907972764 0.50000000000000 0.34740577645732 208.980 > 13 18 Bi 0.94909241306098 0.50000000000000 0.34740577645732 208.980 > 13 19 Bi 0.28242574639431 0.00000000000000 0.84740577645732 208.980 > 13 20 Bi 0.61575907972764 0.00000000000000 0.84740577645732 208.980 > 13 21 Bi 0.94909241306098 0.00000000000000 0.84740577645732 208.980 > 13 22 Bi 0.28242574639431 0.50000000000000 0.84740577645732 208.980 > 13 23 Bi 0.61575907972764 0.50000000000000 0.84740577645732 208.980 > 13 24 Bi 0.94909241306098 0.50000000000000 0.84740577645732 208.980 > 13 25 Bi 0.21757425360569 0.25000000000000 0.15259422354268 208.980 > 1 26 Bi 0.55090758693902 0.25000000000000 0.15259422354268 208.980 > 1 27 Bi 0.88424092027236 0.25000000000000 0.15259422354268 208.980 > 1 28 Bi 0.21757425360569 0.75000000000000 0.15259422354268 208.980 > 1 29 Bi 0.55090758693902 0.75000000000000 0.15259422354268 208.980 > 1 30 Bi 0.88424092027236 0.75000000000000 0.15259422354268 208.980 > 1 31 Bi 0.21757425360569 0.25000000000000 0.65259422354268 208.980 > 1 32 Bi 0.55090758693902 0.25000000000000 0.65259422354268 208.980 > 1 33 Bi 0.88424092027236 0.25000000000000 0.65259422354268 208.980 > 1 34 Bi 0.21757425360569 0.75000000000000 0.65259422354268 208.980 > 1 35 Bi 0.55090758693902 0.75000000000000 0.65259422354268 208.980 > 1 36 Bi 0.88424092027236 0.75000000000000 0.65259422354268 208.980 > 1 37 Bi 0.11575907972764 0.25000000000000 0.34740577645732 208.980 > 13 38 Bi 0.44909241306098 0.25000000000000 0.34740577645732 208.980 > 13 39 Bi 0.78242574639431 0.25000000000000 0.34740577645732 208.980 > 13 40 Bi 0.11575907972764 0.75000000000000 0.34740577645732 208.980 > 13 41 Bi 0.44909241306098 0.75000000000000 0.34740577645732 208.980 > 13 42 Bi 0.78242574639431 0.75000000000000 0.34740577645732 208.980 > 13 43 Bi 0.11575907972764 0.25000000000000 0.84740577645732 208.980 > 13 44 Bi 0.44909241306098 0.25000000000000 0.84740577645732 208.980 > 13 45 Bi 0.78242574639431 0.25000000000000 0.84740577645732 208.980 > 13 46 Bi 0.11575907972764 0.75000000000000 0.84740577645732 208.980 > 13 47 Bi 0.44909241306098 0.75000000000000 0.84740577645732 208.980 > 13 48 Bi 0.78242574639431 0.75000000000000 0.84740577645732 208.980 > 13 49 Te 0.16666666666667 0.00000000000000 0.00000000000000 127.600 > 49 50 Te 0.50000000000000 0.00000000000000 0.00000000000000 127.600 > 49 51 Te 0.83333333333333 0.00000000000000 0.00000000000000 127.600 > 49 52 Te 0.16666666666667 0.50000000000000 0.00000000000000 127.600 > 49 53 Te 0.50000000000000 0.50000000000000 0.00000000000000 127.600 > 49 54 Te 0.83333333333333 0.50000000000000 0.00000000000000 127.600 > 49 55 Te 0.16666666666667 0.00000000000000 0.50000000000000 127.600 > 49 56 Te 0.50000000000000 0.00000000000000 0.50000000000000 127.600 > 49 57 Te 0.83333333333333 0.00000000000000 0.50000000000000 127.600 > 49 58 Te 0.16666666666667 0.50000000000000 0.50000000000000 127.600 > 49 59 Te 0.50000000000000 0.50000000000000 0.50000000000000 127.600 > 49 60 Te 0.83333333333333 0.50000000000000 0.50000000000000 127.600 > 49 61 Te 0.00000000000000 0.25000000000000 0.00000000000000 127.600 > 49 62 Te 0.33333333333333 0.25000000000000 0.00000000000000 127.600 > 49 63 Te 0.66666666666667 0.25000000000000 0.00000000000000 127.600 > 49 64 Te 0.00000000000000 0.75000000000000 0.00000000000000 127.600 > 49 65 Te 0.33333333333333 0.75000000000000 0.00000000000000 127.600 > 49 66 Te 0.66666666666667 0.75000000000000 0.00000000000000 127.600 > 49 67 Te 0.00000000000000 0.25000000000000 0.50000000000000 127.600 > 49 68 Te 0.33333333333333 0.25000000000000 0.50000000000000 127.600 > 49 69 Te 0.66666666666667 0.25000000000000 0.50000000000000 127.600 > 49 70 Te 0.00000000000000 0.75000000000000 0.50000000000000 127.600 > 49 71 Te 0.33333333333333 0.75000000000000 0.50000000000000 127.600 > 49 72 Te 0.66666666666667 0.75000000000000 0.50000000000000 127.600 > 49 73 O 0.16666666666667 0.12498443472442 0.25000000000000 15.999 > 73 74 O 0.50000000000000 0.12498443472442 0.25000000000000 15.999 > 73 75 O 0.83333333333333 0.12498443472442 0.25000000000000 15.999 > 73 76 O 0.16666666666667 0.62498443472442 0.25000000000000 15.999 > 73 77 O 0.50000000000000 0.62498443472442 0.25000000000000 15.999 > 73 78 O 0.83333333333333 0.62498443472442 0.25000000000000 15.999 > 73 79 O 0.16666666666667 0.12498443472442 0.75000000000000 15.999 > 73 80 O 0.50000000000000 0.12498443472442 0.75000000000000 15.999 > 73 81 O 0.83333333333333 0.12498443472442 0.75000000000000 15.999 > 73 82 O 0.16666666666667 0.62498443472442 0.75000000000000 15.999 > 73 83 O 0.50000000000000 0.62498443472442 0.75000000000000 15.999 > 73 84 O 0.83333333333333 0.62498443472442 0.75000000000000 15.999 > 73 85 O 0.16666666666667 0.37501556527558 0.25000000000000 15.999 > 85 86 O 0.50000000000000 0.37501556527558 0.25000000000000 15.999 > 85 87 O 0.83333333333333 0.37501556527558 0.25000000000000 15.999 > 85 88 O 0.16666666666667 0.87501556527558 0.25000000000000 15.999 > 85 89 O 0.50000000000000 0.87501556527558 0.25000000000000 15.999 > 85 90 O 0.83333333333333 0.87501556527558 0.25000000000000 15.999 > 85 91 O 0.16666666666667 0.37501556527558 0.75000000000000 15.999 > 85 92 O 0.50000000000000 0.37501556527558 0.75000000000000 15.999 > 85 93 O 0.83333333333333 0.37501556527558 0.75000000000000 15.999 > 85 94 O 0.16666666666667 0.87501556527558 0.75000000000000 15.999 > 85 95 O 0.50000000000000 0.87501556527558 0.75000000000000 15.999 > 85 96 O 0.83333333333333 0.87501556527558 0.75000000000000 15.999 > 85 97 O 0.00000000000000 0.37498443472442 0.25000000000000 15.999 > 73 98 O 0.33333333333333 0.37498443472442 0.25000000000000 15.999 > 73 99 O 0.66666666666667 0.37498443472442 0.25000000000000 15.999 > 73 100 O 0.00000000000000 0.87498443472442 0.25000000000000 15.999 > 73 101 O 0.33333333333333 0.87498443472442 0.25000000000000 15.999 > 73 102 O 0.66666666666667 0.87498443472442 0.25000000000000 15.999 > 73 103 O 0.00000000000000 0.37498443472442 0.75000000000000 15.999 > 73 104 O 0.33333333333333 0.37498443472442 0.75000000000000 15.999 > 73 105 O 0.66666666666667 0.37498443472442 0.75000000000000 15.999 > 73 106 O 0.00000000000000 0.87498443472442 0.75000000000000 15.999 > 73 107 O 0.33333333333333 0.87498443472442 0.75000000000000 15.999 > 73 108 O 0.66666666666667 0.87498443472442 0.75000000000000 15.999 > 73 109 O 0.00000000000000 0.12501556527558 0.25000000000000 15.999 > 85 110 O 0.33333333333333 0.12501556527558 0.25000000000000 15.999 > 85 111 O 0.66666666666667 0.12501556527558 0.25000000000000 15.999 > 85 112 O 0.00000000000000 0.62501556527558 0.25000000000000 15.999 > 85 113 O 0.33333333333333 0.62501556527558 0.25000000000000 15.999 > 85 114 O 0.66666666666667 0.62501556527558 0.25000000000000 15.999 > 85 115 O 0.00000000000000 0.12501556527558 0.75000000000000 15.999 > 85 116 O 0.33333333333333 0.12501556527558 0.75000000000000 15.999 > 85 117 O 0.66666666666667 0.12501556527558 0.75000000000000 15.999 > 85 118 O 0.00000000000000 0.62501556527558 0.75000000000000 15.999 > 85 119 O 0.33333333333333 0.62501556527558 0.75000000000000 15.999 > 85 120 O 0.66666666666667 0.62501556527558 0.75000000000000 15.999 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 16.3548611 0.0000000 0.1836062 0.0000000 16.4228243 0.0000000 0.1836057 0.0000000 12.0413550 -------------------------- Born effective charges -------------------------- 1 Bi 6.3632585 0.0000000 0.0132674 0.0000000 6.4017587 0.0000000 0.0159478 0.0000000 5.6737545 2 Bi 6.3632585 0.0000000 0.0132674 0.0000000 6.4017587 0.0000000 0.0159478 0.0000000 5.6737545 3 Te -3.9008047 0.0000000 -0.0208909 0.0000000 -4.0370822 0.0000000 -0.0327415 0.0000000 -3.0989491 4 O -4.4128561 0.0000000 -0.0028220 0.0000000 -4.3832177 0.0000000 0.0004229 0.0000000 -4.1242800 5 O -4.4128561 0.0000000 -0.0028220 0.0000000 -4.3832177 0.0000000 0.0004229 0.0000000 -4.1242800 ---------------------------------------------------------------------------- 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] [-0.0040 0.0000 0.0091] [ 0.0040 0.0000 -0.0091] 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] [-0.0040 0.0000 0.0091] [ 0.0040 0.0000 -0.0091] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0040 0.0000 0.0091] [ 0.0040 0.0000 -0.0091] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (yzy) -0.00000001 (yzy) -0.00000001 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (zx) -0.00000001 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:42:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:42:38]------------------------- 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): [3 2 2] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.803879825013436 -2.805270745000000 0.000000000000000 b 2.803879825013436 2.805270745000000 0.000000000000000 c -2.800971109845891 0.000000000000000 6.328165381025783 Atomic positions (fractional): 1 Bi 0.15272276081707 0.15272276081707 0.30518844708536 208.980 2 Bi 0.84727723918293 0.84727723918293 0.69481155291464 208.980 3 Te 0.50000000000000 0.50000000000000 0.00000000000000 127.600 4 O 0.25003113055117 0.74996886944883 0.50000000000000 15.999 5 O 0.74996886944883 0.25003113055117 0.50000000000000 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.823278950080613 0.000000000000000 0.000000000000000 b 0.000000000000000 11.221082980000000 0.000000000000000 c -5.601942219691782 0.000000000000000 12.656330762051565 Atomic positions (fractional): 1 Bi 0.05090758693902 0.00000000000000 0.15259422354268 208.980 > 1 2 Bi 0.38424092027236 0.00000000000000 0.15259422354268 208.980 > 1 3 Bi 0.71757425360569 0.00000000000000 0.15259422354268 208.980 > 1 4 Bi 0.05090758693902 0.50000000000000 0.15259422354268 208.980 > 1 5 Bi 0.38424092027236 0.50000000000000 0.15259422354268 208.980 > 1 6 Bi 0.71757425360569 0.50000000000000 0.15259422354268 208.980 > 1 7 Bi 0.05090758693902 0.00000000000000 0.65259422354268 208.980 > 1 8 Bi 0.38424092027236 0.00000000000000 0.65259422354268 208.980 > 1 9 Bi 0.71757425360569 0.00000000000000 0.65259422354268 208.980 > 1 10 Bi 0.05090758693902 0.50000000000000 0.65259422354268 208.980 > 1 11 Bi 0.38424092027236 0.50000000000000 0.65259422354268 208.980 > 1 12 Bi 0.71757425360569 0.50000000000000 0.65259422354268 208.980 > 1 13 Bi 0.28242574639431 0.00000000000000 0.34740577645732 208.980 > 13 14 Bi 0.61575907972764 0.00000000000000 0.34740577645732 208.980 > 13 15 Bi 0.94909241306098 0.00000000000000 0.34740577645732 208.980 > 13 16 Bi 0.28242574639431 0.50000000000000 0.34740577645732 208.980 > 13 17 Bi 0.61575907972764 0.50000000000000 0.34740577645732 208.980 > 13 18 Bi 0.94909241306098 0.50000000000000 0.34740577645732 208.980 > 13 19 Bi 0.28242574639431 0.00000000000000 0.84740577645732 208.980 > 13 20 Bi 0.61575907972764 0.00000000000000 0.84740577645732 208.980 > 13 21 Bi 0.94909241306098 0.00000000000000 0.84740577645732 208.980 > 13 22 Bi 0.28242574639431 0.50000000000000 0.84740577645732 208.980 > 13 23 Bi 0.61575907972764 0.50000000000000 0.84740577645732 208.980 > 13 24 Bi 0.94909241306098 0.50000000000000 0.84740577645732 208.980 > 13 25 Bi 0.21757425360569 0.25000000000000 0.15259422354268 208.980 > 1 26 Bi 0.55090758693902 0.25000000000000 0.15259422354268 208.980 > 1 27 Bi 0.88424092027236 0.25000000000000 0.15259422354268 208.980 > 1 28 Bi 0.21757425360569 0.75000000000000 0.15259422354268 208.980 > 1 29 Bi 0.55090758693902 0.75000000000000 0.15259422354268 208.980 > 1 30 Bi 0.88424092027236 0.75000000000000 0.15259422354268 208.980 > 1 31 Bi 0.21757425360569 0.25000000000000 0.65259422354268 208.980 > 1 32 Bi 0.55090758693902 0.25000000000000 0.65259422354268 208.980 > 1 33 Bi 0.88424092027236 0.25000000000000 0.65259422354268 208.980 > 1 34 Bi 0.21757425360569 0.75000000000000 0.65259422354268 208.980 > 1 35 Bi 0.55090758693902 0.75000000000000 0.65259422354268 208.980 > 1 36 Bi 0.88424092027236 0.75000000000000 0.65259422354268 208.980 > 1 37 Bi 0.11575907972764 0.25000000000000 0.34740577645732 208.980 > 13 38 Bi 0.44909241306098 0.25000000000000 0.34740577645732 208.980 > 13 39 Bi 0.78242574639431 0.25000000000000 0.34740577645732 208.980 > 13 40 Bi 0.11575907972764 0.75000000000000 0.34740577645732 208.980 > 13 41 Bi 0.44909241306098 0.75000000000000 0.34740577645732 208.980 > 13 42 Bi 0.78242574639431 0.75000000000000 0.34740577645732 208.980 > 13 43 Bi 0.11575907972764 0.25000000000000 0.84740577645732 208.980 > 13 44 Bi 0.44909241306098 0.25000000000000 0.84740577645732 208.980 > 13 45 Bi 0.78242574639431 0.25000000000000 0.84740577645732 208.980 > 13 46 Bi 0.11575907972764 0.75000000000000 0.84740577645732 208.980 > 13 47 Bi 0.44909241306098 0.75000000000000 0.84740577645732 208.980 > 13 48 Bi 0.78242574639431 0.75000000000000 0.84740577645732 208.980 > 13 49 Te 0.16666666666667 0.00000000000000 0.00000000000000 127.600 > 49 50 Te 0.50000000000000 0.00000000000000 0.00000000000000 127.600 > 49 51 Te 0.83333333333333 0.00000000000000 0.00000000000000 127.600 > 49 52 Te 0.16666666666667 0.50000000000000 0.00000000000000 127.600 > 49 53 Te 0.50000000000000 0.50000000000000 0.00000000000000 127.600 > 49 54 Te 0.83333333333333 0.50000000000000 0.00000000000000 127.600 > 49 55 Te 0.16666666666667 0.00000000000000 0.50000000000000 127.600 > 49 56 Te 0.50000000000000 0.00000000000000 0.50000000000000 127.600 > 49 57 Te 0.83333333333333 0.00000000000000 0.50000000000000 127.600 > 49 58 Te 0.16666666666667 0.50000000000000 0.50000000000000 127.600 > 49 59 Te 0.50000000000000 0.50000000000000 0.50000000000000 127.600 > 49 60 Te 0.83333333333333 0.50000000000000 0.50000000000000 127.600 > 49 61 Te 0.00000000000000 0.25000000000000 0.00000000000000 127.600 > 49 62 Te 0.33333333333333 0.25000000000000 0.00000000000000 127.600 > 49 63 Te 0.66666666666667 0.25000000000000 0.00000000000000 127.600 > 49 64 Te 0.00000000000000 0.75000000000000 0.00000000000000 127.600 > 49 65 Te 0.33333333333333 0.75000000000000 0.00000000000000 127.600 > 49 66 Te 0.66666666666667 0.75000000000000 0.00000000000000 127.600 > 49 67 Te 0.00000000000000 0.25000000000000 0.50000000000000 127.600 > 49 68 Te 0.33333333333333 0.25000000000000 0.50000000000000 127.600 > 49 69 Te 0.66666666666667 0.25000000000000 0.50000000000000 127.600 > 49 70 Te 0.00000000000000 0.75000000000000 0.50000000000000 127.600 > 49 71 Te 0.33333333333333 0.75000000000000 0.50000000000000 127.600 > 49 72 Te 0.66666666666667 0.75000000000000 0.50000000000000 127.600 > 49 73 O 0.16666666666667 0.12498443472442 0.25000000000000 15.999 > 73 74 O 0.50000000000000 0.12498443472442 0.25000000000000 15.999 > 73 75 O 0.83333333333333 0.12498443472442 0.25000000000000 15.999 > 73 76 O 0.16666666666667 0.62498443472442 0.25000000000000 15.999 > 73 77 O 0.50000000000000 0.62498443472442 0.25000000000000 15.999 > 73 78 O 0.83333333333333 0.62498443472442 0.25000000000000 15.999 > 73 79 O 0.16666666666667 0.12498443472442 0.75000000000000 15.999 > 73 80 O 0.50000000000000 0.12498443472442 0.75000000000000 15.999 > 73 81 O 0.83333333333333 0.12498443472442 0.75000000000000 15.999 > 73 82 O 0.16666666666667 0.62498443472442 0.75000000000000 15.999 > 73 83 O 0.50000000000000 0.62498443472442 0.75000000000000 15.999 > 73 84 O 0.83333333333333 0.62498443472442 0.75000000000000 15.999 > 73 85 O 0.16666666666667 0.37501556527558 0.25000000000000 15.999 > 85 86 O 0.50000000000000 0.37501556527558 0.25000000000000 15.999 > 85 87 O 0.83333333333333 0.37501556527558 0.25000000000000 15.999 > 85 88 O 0.16666666666667 0.87501556527558 0.25000000000000 15.999 > 85 89 O 0.50000000000000 0.87501556527558 0.25000000000000 15.999 > 85 90 O 0.83333333333333 0.87501556527558 0.25000000000000 15.999 > 85 91 O 0.16666666666667 0.37501556527558 0.75000000000000 15.999 > 85 92 O 0.50000000000000 0.37501556527558 0.75000000000000 15.999 > 85 93 O 0.83333333333333 0.37501556527558 0.75000000000000 15.999 > 85 94 O 0.16666666666667 0.87501556527558 0.75000000000000 15.999 > 85 95 O 0.50000000000000 0.87501556527558 0.75000000000000 15.999 > 85 96 O 0.83333333333333 0.87501556527558 0.75000000000000 15.999 > 85 97 O 0.00000000000000 0.37498443472442 0.25000000000000 15.999 > 73 98 O 0.33333333333333 0.37498443472442 0.25000000000000 15.999 > 73 99 O 0.66666666666667 0.37498443472442 0.25000000000000 15.999 > 73 100 O 0.00000000000000 0.87498443472442 0.25000000000000 15.999 > 73 101 O 0.33333333333333 0.87498443472442 0.25000000000000 15.999 > 73 102 O 0.66666666666667 0.87498443472442 0.25000000000000 15.999 > 73 103 O 0.00000000000000 0.37498443472442 0.75000000000000 15.999 > 73 104 O 0.33333333333333 0.37498443472442 0.75000000000000 15.999 > 73 105 O 0.66666666666667 0.37498443472442 0.75000000000000 15.999 > 73 106 O 0.00000000000000 0.87498443472442 0.75000000000000 15.999 > 73 107 O 0.33333333333333 0.87498443472442 0.75000000000000 15.999 > 73 108 O 0.66666666666667 0.87498443472442 0.75000000000000 15.999 > 73 109 O 0.00000000000000 0.12501556527558 0.25000000000000 15.999 > 85 110 O 0.33333333333333 0.12501556527558 0.25000000000000 15.999 > 85 111 O 0.66666666666667 0.12501556527558 0.25000000000000 15.999 > 85 112 O 0.00000000000000 0.62501556527558 0.25000000000000 15.999 > 85 113 O 0.33333333333333 0.62501556527558 0.25000000000000 15.999 > 85 114 O 0.66666666666667 0.62501556527558 0.25000000000000 15.999 > 85 115 O 0.00000000000000 0.12501556527558 0.75000000000000 15.999 > 85 116 O 0.33333333333333 0.12501556527558 0.75000000000000 15.999 > 85 117 O 0.66666666666667 0.12501556527558 0.75000000000000 15.999 > 85 118 O 0.00000000000000 0.62501556527558 0.75000000000000 15.999 > 85 119 O 0.33333333333333 0.62501556527558 0.75000000000000 15.999 > 85 120 O 0.66666666666667 0.62501556527558 0.75000000000000 15.999 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 16.3548611 0.0000000 0.1836062 0.0000000 16.4228243 0.0000000 0.1836057 0.0000000 12.0413550 -------------------------- Born effective charges -------------------------- 1 Bi 6.3632585 0.0000000 0.0132674 0.0000000 6.4017587 0.0000000 0.0159478 0.0000000 5.6737545 2 Bi 6.3632585 0.0000000 0.0132674 0.0000000 6.4017587 0.0000000 0.0159478 0.0000000 5.6737545 3 Te -3.9008047 0.0000000 -0.0208909 0.0000000 -4.0370822 0.0000000 -0.0327415 0.0000000 -3.0989491 4 O -4.4128561 0.0000000 -0.0028220 0.0000000 -4.3832177 0.0000000 0.0004229 0.0000000 -4.1242800 5 O -4.4128561 0.0000000 -0.0028220 0.0000000 -4.3832177 0.0000000 0.0004229 0.0000000 -4.1242800 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (yzy) -0.00000001 (yzy) -0.00000001 (yyz) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 13 13 8 ] 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: 0.90, Number of G-points: 287, Lambda: 0.36 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/371) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 371 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 1.638 ( 0.000 0.000 0.000) 0.000 1.658 ( 0.000 0.000 0.000) 0.000 1.682 ( 0.000 0.000 0.000) 0.000 2.189 ( 0.000 0.000 0.000) 0.000 2.199 ( 0.000 0.000 0.000) 0.000 4.608 ( 0.000 0.000 0.000) 0.000 7.784 ( 0.000 0.000 0.000) 0.000 7.813 ( 0.000 0.000 0.000) 0.000 10.442 ( 0.000 0.000 0.000) 0.000 10.699 ( 0.000 0.000 0.000) 0.000 12.121 ( 0.000 0.000 0.000) 0.000 12.176 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/371) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.383 ( 15.603 -12.176 0.712) 19.805 0.398 ( 13.715 -16.019 -3.289) 21.343 0.809 ( 27.434 -26.350 7.385) 38.749 1.678 ( 0.511 -2.033 1.721) 2.712 1.702 ( 0.522 -1.686 3.144) 3.605 2.170 ( -1.252 1.649 -1.191) 2.388 2.295 ( 6.811 -7.399 -0.101) 10.057 2.952 ( -2.164 -0.514 3.044) 3.770 4.552 ( -3.347 3.949 -1.251) 5.325 7.920 ( 8.035 -6.819 5.488) 11.881 10.179 ( 10.880 -16.707 -79.173) 81.644 10.419 ( 1.873 1.828 -7.335) 7.788 11.799 ( -24.442 19.113 53.267) 61.645 12.104 ( -4.612 -1.522 -1.977) 5.244 12.343 ( 4.213 6.177 32.850) 33.691 ======================= Grid point 2 (3/371) ======================= q-point: ( 0.15 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.750 ( 11.787 -13.229 -0.835) 17.738 0.783 ( 16.578 -12.354 -2.373) 20.811 1.523 ( 23.249 -19.704 1.402) 30.508 1.712 ( -2.247 -2.825 5.545) 6.616 1.785 ( 4.067 -1.776 3.804) 5.845 2.103 ( -3.336 1.933 -1.589) 4.170 2.559 ( 11.338 -11.356 1.215) 16.094 2.946 ( 0.222 -1.161 -3.689) 3.874 4.407 ( -5.686 6.218 -1.565) 8.570 8.251 ( 13.908 -12.983 7.225) 20.352 10.027 ( -5.998 0.339 -17.164) 18.185 10.369 ( -1.439 2.037 -0.135) 2.498 11.543 ( -13.173 9.630 12.615) 20.625 12.020 ( -7.312 -0.199 -2.932) 7.880 12.445 ( 2.728 6.334 12.126) 13.950 ======================= Grid point 3 (4/371) ======================= q-point: ( 0.23 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( 9.837 -11.068 -2.421) 15.004 1.146 ( 14.767 -10.345 -1.639) 18.105 1.653 ( -4.238 2.477 2.188) 5.374 1.889 ( 4.565 -1.369 3.240) 5.763 1.977 ( 4.058 2.151 -2.477) 5.218 2.089 ( 6.415 -13.760 -3.899) 15.675 2.820 ( 3.926 -4.051 -6.294) 8.452 3.042 ( 10.219 -9.456 7.887) 16.001 4.235 ( -5.488 5.398 -0.657) 7.725 8.719 ( 18.795 -16.237 5.080) 25.351 9.833 ( -8.354 3.399 -2.569) 9.378 10.326 ( -4.756 1.656 7.732) 9.228 11.322 ( -7.549 7.361 -0.586) 10.561 11.867 ( -8.949 3.866 -3.223) 10.268 12.388 ( -3.131 7.662 2.239) 8.575 ======================= Grid point 4 (5/371) ======================= q-point: ( 0.31 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( 6.996 -8.387 -1.902) 11.086 1.429 ( 9.432 -6.846 -3.937) 12.302 1.539 ( -2.899 5.423 0.253) 6.155 1.916 ( -2.428 2.219 2.368) 4.053 1.978 ( 3.393 -1.059 1.881) 4.021 2.267 ( 4.000 -5.501 -15.995) 17.381 2.805 ( -0.067 0.168 -5.187) 5.190 3.443 ( 11.584 -10.739 14.576) 21.494 4.134 ( -1.355 1.145 -0.187) 1.784 9.253 ( 21.000 -18.121 1.729) 27.791 9.705 ( -5.388 0.837 2.583) 6.033 10.278 ( -6.273 1.741 8.427) 10.649 11.134 ( -3.098 6.120 -5.363) 8.707 11.621 ( -8.129 12.064 -3.466) 14.955 12.191 ( -11.007 5.948 -2.449) 12.749 ======================= Grid point 5 (6/371) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.373 ( -1.004 5.974 -2.543) 6.570 1.474 ( 3.848 -6.909 -0.028) 7.908 1.605 ( 5.060 -3.081 -4.434) 7.400 1.912 ( 0.306 -0.741 4.479) 4.551 2.031 ( 1.981 0.028 0.532) 2.051 2.178 ( -3.195 2.300 -16.481) 16.944 2.783 ( 0.118 0.230 -1.844) 1.862 3.743 ( 3.748 -4.675 12.061) 13.468 4.180 ( 4.865 -3.839 -0.109) 6.198 9.693 ( -4.203 -5.091 4.655) 8.078 9.796 ( 22.206 -16.229 0.055) 27.504 10.202 ( -6.588 2.009 4.011) 7.970 11.020 ( -0.582 2.996 -4.475) 5.417 11.282 ( -2.826 21.313 -4.085) 21.884 11.920 ( -17.106 1.939 -3.146) 17.501 ======================= Grid point 6 (7/371) ======================= q-point: ( 0.46 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( 0.534 3.018 -1.394) 3.367 1.581 ( -1.867 -4.610 0.333) 4.984 1.689 ( 6.414 -1.633 0.248) 6.623 1.961 ( 0.988 2.179 0.113) 2.395 1.966 ( -4.050 1.253 -6.957) 8.147 2.065 ( -0.184 0.120 0.085) 0.235 2.772 ( -0.056 0.202 -0.581) 0.618 3.847 ( 0.298 -1.004 3.968) 4.104 4.299 ( 3.083 -2.401 0.539) 3.945 9.752 ( -0.107 -2.703 3.249) 4.228 10.104 ( -1.972 3.266 0.928) 3.926 10.298 ( 12.715 -20.113 -1.749) 23.859 10.807 ( -11.005 16.082 0.428) 19.492 11.099 ( 8.647 6.508 -3.527) 11.383 11.679 ( -11.591 -0.343 -1.232) 11.662 ======================= Grid point 14 (8/371) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 371 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.520 ( 19.533 0.000 -2.626) 19.708 0.559 ( 15.633 0.000 6.628) 16.980 1.170 ( 36.719 0.000 6.959) 37.373 1.694 ( -0.446 -0.000 3.730) 3.756 1.777 ( 8.889 0.000 1.237) 8.975 2.173 ( -0.784 -0.000 -0.125) 0.794 2.367 ( 12.765 0.000 -1.304) 12.832 2.932 ( -1.569 -0.000 -0.216) 1.584 4.508 ( -5.714 -0.000 -1.912) 6.026 7.776 ( -4.284 -0.000 3.772) 5.708 10.086 ( 30.230 0.000 -49.227) 57.768 10.415 ( -2.074 -0.000 0.064) 2.075 11.765 ( -27.361 -0.000 26.920) 38.383 11.976 ( -9.984 -0.000 -1.000) 10.034 12.618 ( -2.891 -0.000 29.649) 29.790 ======================= Grid point 15 (9/371) ======================= q-point: ( 0.15 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.784 ( 13.994 -5.245 -1.001) 14.978 0.874 ( 15.317 -8.677 3.482) 17.945 1.659 ( 11.854 -3.332 -4.377) 13.068 1.758 ( 13.229 -3.826 8.460) 16.162 1.909 ( 10.052 1.863 2.562) 10.539 2.151 ( 3.266 5.764 3.175) 7.347 2.618 ( 15.416 -7.281 -0.466) 17.055 2.916 ( 1.352 -1.340 -4.414) 4.807 4.382 ( -6.247 3.893 -1.973) 7.621 7.933 ( -6.914 -26.786 4.484) 28.025 10.137 ( 14.116 10.131 -14.107) 22.381 10.369 ( -4.149 1.218 3.435) 5.523 11.534 ( -15.004 5.847 11.659) 19.881 11.818 ( -14.549 -2.588 -1.713) 14.876 12.667 ( 0.958 7.765 9.898) 12.617 ======================= Grid point 16 (10/371) ======================= q-point: ( 0.23 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( 8.583 -8.055 -1.530) 11.870 1.214 ( 13.287 -9.065 1.673) 16.171 1.669 ( 0.053 2.892 -0.087) 2.893 1.971 ( 5.076 -0.535 -2.091) 5.516 2.040 ( 6.873 2.580 1.068) 7.418 2.217 ( 16.907 5.974 1.042) 17.962 2.792 ( 2.902 -0.819 -7.880) 8.437 3.117 ( 13.954 -11.944 8.037) 20.049 4.235 ( -3.879 4.950 -1.092) 6.383 8.299 ( -9.292 -37.850 2.497) 39.054 10.057 ( 8.329 14.740 -1.323) 16.982 10.320 ( -6.940 1.174 9.836) 12.095 11.353 ( -2.913 7.637 -1.073) 8.244 11.630 ( -17.935 -4.344 -1.762) 18.537 12.553 ( -0.510 13.589 0.027) 13.598 ======================= Grid point 17 (11/371) ======================= q-point: ( 0.31 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( 4.187 -8.235 0.249) 9.242 1.493 ( 11.576 -6.122 -0.935) 13.128 1.615 ( 1.932 6.669 0.059) 6.943 1.978 ( 3.353 4.374 -2.278) 5.964 2.084 ( 6.237 4.041 2.112) 7.726 2.298 ( 9.880 7.786 -9.210) 15.591 2.776 ( 0.719 -0.883 -5.055) 5.182 3.527 ( 10.297 -11.240 11.750) 19.247 4.156 ( 1.533 2.448 -0.728) 2.978 8.713 ( -11.417 -41.179 0.479) 42.735 9.992 ( 6.322 9.788 3.606) 12.198 10.254 ( -8.171 1.487 8.364) 11.787 11.201 ( -3.383 6.817 -7.812) 10.906 11.458 ( -9.146 -1.706 -0.932) 9.351 12.294 ( -2.714 18.674 -3.199) 19.139 ======================= Grid point 18 (12/371) ======================= q-point: ( 0.38 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( 4.275 -5.381 6.145) 9.219 1.539 ( 4.061 8.720 -2.463) 9.930 1.683 ( 10.470 -1.308 -3.131) 11.006 1.955 ( 3.208 3.009 -3.117) 5.391 2.118 ( 4.595 3.714 1.464) 6.087 2.188 ( 2.743 11.060 -7.394) 13.584 2.776 ( 0.895 -0.457 -2.695) 2.876 3.796 ( 3.697 -4.302 9.194) 10.803 4.205 ( 5.143 -2.509 -0.944) 5.800 9.115 ( -10.923 -39.239 1.213) 40.749 9.985 ( -2.196 0.961 3.319) 4.095 10.176 ( -3.569 0.491 2.385) 4.321 10.934 ( -21.191 0.445 -6.215) 22.088 11.463 ( 15.654 7.116 -3.495) 17.547 11.964 ( -2.485 20.725 -0.309) 20.876 ======================= Grid point 19 (13/371) ======================= q-point: ( 0.46 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.406 ( 2.004 9.509 1.166) 9.788 1.626 ( 10.003 -2.079 7.877) 12.900 1.767 ( 4.332 2.790 -4.955) 7.149 1.926 ( 2.821 2.067 -4.615) 5.790 2.052 ( 1.521 6.964 0.692) 7.162 2.131 ( 4.335 5.068 0.961) 6.738 2.777 ( 1.015 0.297 -1.350) 1.715 3.884 ( 2.169 1.320 2.163) 3.335 4.292 ( 0.926 -2.637 -0.627) 2.865 9.496 ( -6.860 -30.150 4.285) 31.216 9.879 ( -14.446 -4.500 -5.933) 16.252 10.244 ( 2.779 -9.064 1.569) 9.610 10.572 ( -27.212 -1.655 -2.262) 27.356 11.500 ( 13.663 21.675 -4.378) 25.993 11.798 ( 13.180 8.651 5.621) 16.738 ======================= Grid point 20 (14/371) ======================= q-point: (-0.46 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( 3.015 5.129 1.885) 6.241 1.636 ( -5.982 6.046 -4.304) 9.533 1.773 ( 6.715 6.944 6.788) 11.807 1.978 ( 3.165 2.935 0.802) 4.390 2.080 ( 9.278 0.035 5.132) 10.603 2.122 ( 4.171 2.752 1.664) 5.267 2.783 ( 1.084 0.398 0.135) 1.162 3.854 ( 0.325 4.329 -5.788) 7.235 4.275 ( -3.532 1.596 -0.189) 3.881 9.559 ( -24.358 -3.798 -3.619) 24.917 9.853 ( -5.577 -19.694 -3.265) 20.727 10.261 ( -15.309 -0.353 0.052) 15.313 10.519 ( 0.879 -24.401 1.983) 24.497 11.322 ( 9.483 22.316 4.599) 24.679 12.012 ( 22.326 5.144 3.077) 23.117 ======================= Grid point 21 (15/371) ======================= q-point: (-0.38 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( 3.104 -0.560 0.059) 3.154 1.457 ( -4.610 4.768 1.802) 6.873 1.699 ( -4.285 9.420 2.754) 10.709 1.987 ( 7.435 5.826 0.868) 9.486 2.072 ( 2.577 5.862 -0.640) 6.436 2.343 ( 9.059 -1.049 13.183) 16.029 2.796 ( 0.704 0.074 1.768) 1.905 3.686 ( -5.305 7.775 -12.161) 15.378 4.189 ( -1.799 3.952 0.780) 4.412 9.157 ( -39.364 -7.971 -4.894) 40.461 9.939 ( 0.116 -1.181 -2.208) 2.507 10.194 ( -0.619 -5.992 -4.507) 7.523 10.934 ( 1.041 -29.444 2.266) 29.550 11.254 ( 12.207 15.066 10.704) 22.149 12.249 ( 19.371 5.165 2.182) 20.166 ======================= Grid point 22 (16/371) ======================= q-point: (-0.31 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( -8.918 4.197 0.620) 9.876 1.445 ( -10.146 9.941 2.951) 14.508 1.567 ( 7.981 -1.089 -0.157) 8.057 1.995 ( 3.081 6.491 -2.221) 7.520 2.039 ( 6.312 6.260 4.248) 9.853 2.432 ( 0.113 8.648 7.561) 11.488 2.845 ( 2.035 -1.158 6.069) 6.505 3.362 ( -9.657 12.231 -11.965) 19.647 4.162 ( 2.831 0.927 0.158) 2.984 8.682 ( -42.204 -9.449 -4.556) 43.488 9.954 ( 7.564 2.596 -2.772) 8.464 10.258 ( 3.097 -5.374 -8.692) 10.678 11.249 ( 6.195 -4.016 6.375) 9.755 11.447 ( 7.858 -14.170 7.848) 18.004 12.414 ( 13.768 5.659 1.089) 14.925 ======================= Grid point 23 (17/371) ======================= q-point: (-0.23 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( -8.462 7.600 1.142) 11.431 1.131 ( -13.032 13.020 3.281) 18.711 1.691 ( 5.966 -0.774 -0.643) 6.051 1.910 ( 1.919 7.655 -3.439) 8.609 2.046 ( -0.146 9.889 7.577) 12.459 2.234 ( -1.841 13.505 -4.726) 14.426 2.890 ( -2.260 7.526 6.192) 10.005 3.017 ( -4.989 7.919 -5.249) 10.730 4.242 ( 4.684 -4.153 0.381) 6.272 8.223 ( -37.753 -8.953 -5.940) 39.253 10.054 ( 11.377 -1.048 -4.298) 12.207 10.322 ( 4.775 -3.318 -6.074) 8.409 11.417 ( 8.377 -0.389 7.789) 11.445 11.775 ( 3.279 -15.439 2.787) 16.028 12.479 ( 7.688 6.709 -0.743) 10.231 ======================= Grid point 24 (18/371) ======================= q-point: (-0.15 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.791 ( -9.429 15.141 2.456) 18.005 0.834 ( -6.539 12.925 2.190) 14.650 1.621 ( -9.446 25.863 1.789) 27.592 1.759 ( 1.752 3.672 -4.907) 6.374 1.835 ( 2.256 8.954 -2.410) 9.543 2.167 ( 3.636 2.328 -0.564) 4.354 2.621 ( -5.448 15.735 -0.129) 16.652 2.985 ( 0.362 1.231 2.493) 2.804 4.383 ( 3.195 -7.022 0.708) 7.747 7.848 ( -26.376 -7.480 -5.862) 28.035 10.216 ( 8.363 -6.054 -6.600) 12.253 10.433 ( 6.493 -2.422 6.557) 9.541 11.568 ( 7.086 -0.789 1.589) 7.305 11.980 ( -0.116 -10.271 0.210) 10.274 12.428 ( 2.267 8.878 -3.251) 9.723 ======================= Grid point 25 (19/371) ======================= q-point: (-0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 371 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.502 ( 0.000 17.451 0.000) 17.451 0.577 ( 0.000 18.155 0.000) 18.155 1.079 ( 0.000 36.759 0.000) 36.759 1.723 ( 0.000 2.681 0.000) 2.681 1.747 ( 0.000 6.195 0.000) 6.195 2.179 ( -0.000 -0.026 -0.000) 0.026 2.381 ( 0.000 12.562 0.000) 12.562 2.975 ( 0.000 1.621 0.000) 1.621 4.506 ( -0.000 -6.674 -0.000) 6.674 7.708 ( -0.000 -5.112 -0.000) 5.112 10.341 ( -0.000 -6.528 -0.000) 6.528 10.611 ( -0.000 -5.956 -0.000) 5.956 11.606 ( 0.000 1.854 0.000) 1.854 12.085 ( -0.000 -6.678 -0.000) 6.678 12.284 ( 0.000 10.243 0.000) 10.243 ======================= Grid point 28 (20/371) ======================= q-point: ( 0.15 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 371 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( 11.186 0.000 1.440) 11.278 1.012 ( 12.627 0.000 4.926) 13.554 1.701 ( 4.026 0.000 -4.041) 5.704 1.953 ( 11.322 0.000 0.569) 11.336 2.088 ( 10.430 0.000 3.084) 10.876 2.374 ( 12.647 0.000 10.355) 16.346 2.795 ( 19.100 0.000 -2.704) 19.291 2.887 ( 1.360 0.000 -5.487) 5.654 4.323 ( -4.227 -0.000 -2.068) 4.706 7.676 ( -6.590 -0.000 4.874) 8.197 10.303 ( 1.822 0.000 4.373) 4.737 10.321 ( -5.171 -0.000 0.241) 5.176 11.473 ( -3.615 -0.000 1.488) 3.909 11.557 ( -19.499 -0.000 -1.195) 19.536 12.757 ( -0.890 -0.000 2.017) 2.205 ======================= Grid point 29 (21/371) ======================= q-point: ( 0.23 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( 7.789 -0.601 3.136) 8.418 1.273 ( 10.834 -7.744 3.938) 13.888 1.739 ( 6.023 2.156 -1.353) 6.539 2.071 ( 8.798 2.173 -1.519) 9.188 2.216 ( 8.378 3.579 2.729) 9.510 2.534 ( 10.305 5.223 3.565) 12.090 2.801 ( 2.510 5.891 -7.170) 9.613 3.175 ( 15.259 -13.139 2.902) 20.344 4.256 ( 0.044 3.152 -1.886) 3.674 7.768 ( -7.617 -21.748 3.498) 23.307 10.205 ( -6.071 4.600 1.239) 7.717 10.284 ( -10.750 0.571 11.352) 15.644 11.259 ( -23.429 -1.006 -2.074) 23.542 11.492 ( 11.297 2.851 -6.371) 13.279 12.678 ( -2.015 7.724 -2.704) 8.429 ======================= Grid point 30 (22/371) ======================= q-point: ( 0.31 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( 9.030 -2.980 6.429) 11.479 1.526 ( 7.956 -6.522 1.376) 10.379 1.785 ( 8.468 5.446 1.189) 10.138 2.113 ( 7.566 6.018 -4.081) 10.494 2.255 ( 6.206 6.012 1.540) 8.776 2.543 ( 6.071 12.632 -1.149) 14.062 2.735 ( 0.742 -1.243 -5.586) 5.770 3.561 ( 10.812 -11.870 5.815) 17.077 4.226 ( 3.756 3.135 -2.406) 5.452 8.059 ( -8.032 -33.028 1.701) 34.033 10.055 ( -11.454 3.020 5.999) 13.278 10.172 ( -11.060 -0.789 3.818) 11.727 10.907 ( -28.053 -1.549 -3.333) 28.293 11.621 ( 21.263 4.978 -7.957) 23.243 12.480 ( -1.947 14.176 -1.960) 14.442 ======================= Grid point 31 (23/371) ======================= q-point: ( 0.38 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( 11.637 -4.006 11.040) 16.533 1.631 ( 2.667 1.938 -2.593) 4.194 1.852 ( 10.245 4.957 0.837) 11.412 2.075 ( 6.032 7.588 -4.683) 10.766 2.251 ( 3.544 6.301 0.176) 7.231 2.399 ( 4.205 13.858 -0.802) 14.505 2.761 ( 1.979 -1.910 -2.942) 4.027 3.845 ( 7.127 -5.857 5.886) 10.943 4.234 ( 3.432 0.458 -3.943) 5.247 8.460 ( -6.272 -38.189 1.234) 38.721 9.860 ( -18.133 0.804 2.804) 18.366 10.086 ( -7.323 -4.295 -0.156) 8.491 10.504 ( -30.525 -2.360 -3.082) 30.771 11.824 ( 24.939 5.637 -8.674) 27.000 12.246 ( 0.747 18.187 4.389) 18.724 ======================= Grid point 32 (24/371) ======================= q-point: ( 0.46 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.563 ( 2.262 8.192 -2.053) 8.743 1.761 ( 2.479 -1.974 8.297) 8.882 1.874 ( 8.878 5.560 0.860) 10.511 2.072 ( 9.415 5.907 -0.747) 11.140 2.174 ( 2.511 6.977 -0.634) 7.442 2.326 ( 7.104 9.844 0.846) 12.169 2.792 ( 2.218 -0.211 -1.153) 2.509 3.972 ( 5.018 2.992 0.852) 5.904 4.251 ( 0.003 -2.209 -2.496) 3.333 8.940 ( -2.982 -39.308 1.228) 39.441 9.532 ( -28.880 0.574 -4.034) 29.166 10.093 ( -6.622 -10.060 0.346) 12.049 10.162 ( -21.981 -4.960 -0.842) 22.549 11.930 ( 13.283 16.818 -3.877) 21.778 12.174 ( 15.821 8.683 6.887) 19.316 ======================= Grid point 33 (25/371) ======================= q-point: (-0.46 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( 4.117 7.102 -3.104) 8.776 1.646 ( -4.640 8.282 2.015) 9.705 1.928 ( -2.139 7.078 3.345) 8.116 2.139 ( 8.351 3.442 2.654) 9.414 2.260 ( 12.850 -0.485 3.663) 13.371 2.296 ( 8.314 8.739 0.911) 12.097 2.814 ( 1.644 0.799 0.524) 1.902 3.912 ( 0.744 8.700 -5.999) 10.594 4.260 ( -0.315 0.235 1.048) 1.119 9.027 ( -38.967 -1.475 -5.550) 39.388 9.435 ( -0.750 -33.121 0.767) 33.139 10.008 ( -11.310 -6.914 -0.672) 13.273 10.223 ( -4.118 -18.998 0.174) 19.440 11.826 ( 11.637 21.575 8.274) 25.872 12.373 ( 18.346 3.777 0.796) 18.747 ======================= Grid point 34 (26/371) ======================= q-point: (-0.38 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( -4.252 5.871 -4.138) 8.347 1.580 ( 4.691 5.149 6.040) 9.219 1.755 ( -5.460 9.308 -0.862) 10.826 2.198 ( 6.662 6.404 3.192) 9.777 2.250 ( 7.015 9.012 0.611) 11.437 2.511 ( 9.605 -2.159 4.163) 10.688 2.822 ( 0.434 0.546 2.016) 2.133 3.704 ( -2.923 12.855 -6.920) 14.889 4.248 ( 1.812 3.598 1.088) 4.173 8.479 ( -41.079 -4.027 -3.459) 41.420 9.776 ( -0.936 -18.524 -3.164) 18.816 10.007 ( -4.130 -9.273 -2.225) 10.392 10.530 ( -1.619 -30.147 0.965) 30.206 11.784 ( 14.538 20.062 12.960) 27.961 12.549 ( 14.102 3.447 -0.578) 14.529 ======================= Grid point 35 (27/371) ======================= q-point: (-0.31 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( -5.767 4.991 -1.286) 7.734 1.461 ( -10.653 10.550 3.403) 15.374 1.701 ( 8.814 2.621 0.055) 9.196 2.160 ( 5.572 9.980 -1.358) 11.511 2.268 ( 6.686 6.979 4.715) 10.754 2.550 ( -1.020 6.944 -1.528) 7.183 2.877 ( 1.871 -3.624 3.546) 5.405 3.419 ( -3.366 16.850 -3.747) 17.587 4.238 ( 3.483 3.367 0.351) 4.857 7.993 ( -36.150 -5.994 -2.992) 36.766 9.923 ( 0.125 -9.548 -4.365) 10.499 10.102 ( -0.572 -11.083 -3.980) 11.790 10.950 ( -0.911 -30.499 0.696) 30.521 11.826 ( 14.918 15.282 12.533) 24.763 12.651 ( 9.191 4.556 -0.700) 10.282 ======================= Grid point 36 (28/371) ======================= q-point: (-0.23 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( -4.047 5.679 -0.303) 6.980 1.182 ( -8.096 12.719 3.061) 15.385 1.776 ( 4.856 1.409 0.452) 5.077 2.081 ( 4.952 10.768 -1.539) 11.952 2.253 ( -0.080 11.436 7.900) 13.900 2.337 ( -1.274 11.600 -8.816) 14.626 2.965 ( 0.770 -2.925 2.416) 3.871 3.118 ( -2.264 19.118 -0.781) 19.267 4.263 ( 2.895 -0.375 0.283) 2.933 7.642 ( -23.377 -6.305 -2.994) 24.397 10.026 ( 1.325 -8.211 -3.947) 9.206 10.236 ( 1.416 -10.574 -2.837) 11.039 11.314 ( -0.691 -23.075 1.024) 23.108 11.897 ( 9.682 8.814 6.912) 14.805 12.664 ( 4.416 6.881 -0.324) 8.183 ======================= Grid point 37 (29/371) ======================= q-point: (-0.15 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 371 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( 0.000 11.426 0.000) 11.426 0.957 ( 0.000 11.804 0.000) 11.804 1.790 ( 0.000 1.765 0.000) 1.765 1.947 ( 0.000 25.553 0.000) 25.553 1.978 ( 0.000 10.020 0.000) 10.020 2.240 ( 0.000 4.841 0.000) 4.841 2.831 ( 0.000 19.225 0.000) 19.225 3.002 ( -0.000 -0.574 -0.000) 0.574 4.322 ( -0.000 -4.797 -0.000) 4.797 7.542 ( -0.000 -6.177 -0.000) 6.177 10.137 ( -0.000 -7.965 -0.000) 7.965 10.387 ( -0.000 -10.182 -0.000) 10.182 11.563 ( -0.000 -11.758 -0.000) 11.758 11.912 ( 0.000 0.694 0.000) 0.694 12.578 ( 0.000 9.699 0.000) 9.699 ======================= Grid point 42 (30/371) ======================= q-point: ( 0.23 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 371 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( 9.273 0.000 8.039) 12.272 1.395 ( 11.315 0.000 4.740) 12.268 1.859 ( 8.326 0.000 1.316) 8.429 2.204 ( 8.615 0.000 -2.113) 8.870 2.370 ( 7.003 0.000 3.122) 7.667 2.615 ( 2.013 0.000 -4.148) 4.611 2.887 ( -2.273 -0.000 3.241) 3.959 3.301 ( 19.806 0.000 -3.365) 20.090 4.288 ( 3.286 0.000 -3.206) 4.591 7.557 ( -4.864 -0.000 2.925) 5.675 10.123 ( -9.610 -0.000 0.030) 9.610 10.136 ( -19.705 -0.000 10.820) 22.480 10.883 ( -28.827 -0.000 -0.269) 28.829 11.698 ( 21.814 0.000 -11.253) 24.546 12.680 ( -2.459 -0.000 -2.543) 3.538 ======================= Grid point 43 (31/371) ======================= q-point: ( 0.31 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( 12.301 0.264 11.083) 16.560 1.598 ( 9.479 -2.526 4.209) 10.675 1.963 ( 7.291 2.077 2.072) 7.859 2.256 ( 5.513 4.098 -3.831) 7.865 2.422 ( 4.951 5.735 1.184) 7.668 2.647 ( 2.043 -3.642 -2.170) 4.706 2.784 ( -1.327 9.462 0.549) 9.570 3.610 ( 15.717 -8.182 -0.751) 17.735 4.299 ( 4.104 2.411 -4.687) 6.680 7.644 ( -2.874 -17.459 1.270) 17.740 9.889 ( -20.983 1.017 5.835) 21.803 9.991 ( -12.170 -2.344 -0.303) 12.397 10.463 ( -32.742 -0.657 -0.139) 32.749 11.930 ( 24.279 2.087 -12.880) 27.563 12.602 ( -0.909 6.894 2.220) 7.299 ======================= Grid point 44 (32/371) ======================= q-point: ( 0.38 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.662 ( 8.329 -0.205 6.019) 10.279 1.734 ( 6.523 2.007 7.575) 10.196 2.033 ( 6.108 2.946 1.008) 6.856 2.229 ( 5.717 5.513 -3.025) 8.499 2.384 ( 2.116 7.548 -0.223) 7.842 2.626 ( 2.967 10.304 1.194) 10.789 2.748 ( 3.367 -2.732 -2.379) 4.945 3.907 ( 11.459 -6.833 1.715) 13.452 4.276 ( 3.228 3.690 -5.769) 7.570 7.950 ( -0.276 -29.146 0.121) 29.147 9.581 ( -25.541 2.374 0.324) 25.653 9.872 ( -12.502 -5.966 -0.476) 13.861 10.040 ( -30.198 -3.582 0.420) 30.412 12.135 ( 21.596 2.618 -14.149) 25.950 12.523 ( 3.329 11.601 10.389) 15.925 ======================= Grid point 45 (33/371) ======================= q-point: ( 0.46 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.680 ( 3.645 6.291 -2.730) 7.767 1.824 ( -2.841 3.356 11.161) 11.996 2.065 ( 6.356 4.156 0.909) 7.648 2.246 ( 3.784 5.060 0.000) 6.318 2.321 ( 8.091 4.488 -1.293) 9.342 2.566 ( 6.909 9.578 0.230) 11.812 2.811 ( 2.528 -1.407 -0.397) 2.921 4.105 ( 8.111 1.457 1.136) 8.319 4.229 ( 2.019 1.500 -4.211) 4.905 8.415 ( 2.582 -35.467 -1.240) 35.582 9.093 ( -35.704 4.900 -1.620) 36.075 9.795 ( -17.372 -8.528 1.323) 19.397 9.822 ( -12.596 -11.348 -1.161) 16.994 12.254 ( 14.369 6.845 -7.208) 17.472 12.531 ( 10.322 9.875 10.560) 17.765 ======================= Grid point 46 (34/371) ======================= q-point: (-0.46 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.583 ( -0.754 8.491 -3.782) 9.326 1.762 ( -0.401 6.844 8.373) 10.822 1.993 ( -3.044 7.970 -2.786) 8.974 2.288 ( 6.213 0.953 4.182) 7.549 2.427 ( 8.992 0.528 -1.551) 9.140 2.543 ( 8.357 8.703 0.428) 12.074 2.845 ( 0.886 0.270 0.774) 1.207 4.050 ( 2.884 11.871 -3.134) 12.612 4.290 ( 4.180 -0.912 1.155) 4.431 8.476 ( -36.848 3.235 -3.593) 37.163 8.980 ( 3.205 -34.597 0.375) 34.747 9.752 ( -9.060 -10.642 0.093) 13.977 9.860 ( -10.892 -18.497 -0.553) 21.473 12.285 ( 11.715 13.402 6.692) 19.017 12.627 ( 11.070 4.263 1.360) 11.940 ======================= Grid point 47 (35/371) ======================= q-point: (-0.38 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.403 ( -3.686 9.113 -2.564) 10.159 1.698 ( -6.356 6.980 5.304) 10.828 1.848 ( 4.879 7.430 -2.807) 9.322 2.373 ( 5.447 2.743 4.187) 7.397 2.448 ( 4.758 7.188 -1.109) 8.691 2.604 ( 6.772 -0.097 -1.598) 6.959 2.836 ( -1.518 0.973 1.396) 2.280 3.875 ( 1.555 15.801 -1.292) 15.930 4.339 ( 3.867 2.598 0.746) 4.718 7.935 ( -32.577 2.024 -1.203) 32.662 9.441 ( 1.923 -25.445 -3.228) 25.721 9.818 ( -3.401 -10.694 0.095) 11.222 10.064 ( -6.478 -30.408 -0.018) 31.090 12.296 ( 11.315 16.597 11.931) 23.363 12.716 ( 7.551 0.995 -2.864) 8.137 ======================= Grid point 48 (36/371) ======================= q-point: (-0.31 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( -2.818 7.433 -1.223) 8.043 1.490 ( -7.071 9.660 1.690) 12.091 1.852 ( 5.289 4.361 0.256) 6.860 2.370 ( 4.652 9.788 -0.316) 10.842 2.428 ( 3.072 3.603 1.584) 4.992 2.614 ( 0.276 5.795 -2.002) 6.138 2.835 ( -1.182 -4.115 0.824) 4.360 3.649 ( 0.628 18.779 0.187) 18.791 4.340 ( 2.763 4.215 0.287) 5.048 7.547 ( -20.016 -0.081 -0.748) 20.030 9.697 ( -0.873 -16.358 -3.297) 16.710 9.939 ( -0.569 -10.547 -0.132) 10.563 10.482 ( -1.471 -35.385 0.027) 35.416 12.268 ( 7.881 16.243 8.121) 19.796 12.769 ( 3.846 0.738 -1.984) 4.390 ======================= Grid point 49 (37/371) ======================= q-point: (-0.23 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 371 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( 0.000 5.720 0.000) 5.720 1.299 ( 0.000 11.281 0.000) 11.281 1.843 ( 0.000 2.793 0.000) 2.793 2.265 ( 0.000 10.433 0.000) 10.433 2.397 ( 0.000 5.259 0.000) 5.259 2.465 ( 0.000 12.850 0.000) 12.850 2.907 ( -0.000 -5.898 -0.000) 5.898 3.384 ( 0.000 20.281 0.000) 20.281 4.307 ( 0.000 3.213 0.000) 3.213 7.415 ( -0.000 -2.372 -0.000) 2.372 9.874 ( -0.000 -12.395 -0.000) 12.395 10.083 ( -0.000 -11.027 -0.000) 11.027 10.934 ( -0.000 -30.982 -0.000) 30.982 12.147 ( 0.000 13.446 0.000) 13.446 12.765 ( 0.000 3.444 0.000) 3.444 ======================= Grid point 56 (38/371) ======================= q-point: ( 0.31 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 371 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.680 ( 9.718 0.000 12.959) 16.199 1.752 ( 10.063 0.000 5.324) 11.384 2.055 ( 3.479 0.000 0.573) 3.526 2.320 ( 3.564 0.000 -3.787) 5.200 2.551 ( 4.430 0.000 1.493) 4.675 2.616 ( 1.060 0.000 -0.698) 1.269 2.829 ( -1.553 -0.000 1.039) 1.868 3.773 ( 17.167 0.000 -3.227) 17.467 4.343 ( 4.444 0.000 -5.491) 7.064 7.520 ( 1.617 0.000 -0.070) 1.618 9.622 ( -21.450 -0.000 2.346) 21.578 9.786 ( -14.777 -0.000 -0.688) 14.793 9.986 ( -36.142 -0.000 1.123) 36.159 12.168 ( 21.157 0.000 -16.389) 26.762 12.688 ( 2.097 0.000 9.250) 9.485 ======================= Grid point 57 (39/371) ======================= q-point: ( 0.38 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.819 ( 3.289 3.123 9.235) 10.289 1.890 ( 5.399 2.598 6.767) 9.038 2.109 ( 3.535 -1.692 0.793) 3.998 2.326 ( 3.021 2.020 -4.195) 5.550 2.519 ( 2.386 7.792 0.288) 8.154 2.701 ( 2.054 -4.510 1.657) 5.226 2.801 ( 3.283 4.216 -1.589) 5.575 4.004 ( 13.710 -3.841 -1.861) 14.359 4.355 ( 5.147 3.519 -4.385) 7.623 7.675 ( 5.512 -15.345 -1.103) 16.342 9.278 ( -27.206 7.484 -0.111) 28.217 9.558 ( -27.887 -8.134 1.865) 29.109 9.600 ( -17.244 -4.444 -1.271) 17.852 12.317 ( 15.613 0.365 -15.339) 21.890 12.779 ( 6.008 5.406 13.888) 16.069 ======================= Grid point 58 (40/371) ======================= q-point: ( 0.46 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.807 ( -0.252 7.000 4.393) 8.268 1.912 ( 0.092 4.619 7.260) 8.605 2.160 ( 0.922 3.212 -2.011) 3.901 2.300 ( 0.024 -0.896 -0.819) 1.214 2.487 ( 7.663 5.231 -1.716) 9.436 2.763 ( 5.636 5.433 0.669) 7.857 2.811 ( 1.684 -2.154 -0.403) 2.764 4.210 ( 9.533 -3.404 -0.309) 10.128 4.331 ( 5.151 7.403 -2.486) 9.355 8.054 ( 8.480 -25.910 -2.143) 27.346 8.712 ( -33.482 10.095 0.404) 34.973 9.417 ( -16.558 -12.381 -0.644) 20.685 9.473 ( -15.513 -10.789 0.477) 18.902 12.421 ( 11.232 -0.149 -9.085) 14.447 12.858 ( 7.547 9.115 12.669) 17.336 ======================= Grid point 59 (41/371) ======================= q-point: (-0.46 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.684 ( -2.146 10.532 1.398) 10.839 1.862 ( -4.251 5.161 4.521) 8.071 2.049 ( 0.952 6.316 -4.080) 7.579 2.368 ( 2.955 -2.296 3.202) 4.925 2.531 ( 6.934 2.166 -2.464) 7.670 2.741 ( 3.715 6.882 -0.316) 7.827 2.852 ( 0.568 -0.559 0.534) 0.959 4.256 ( 4.160 11.489 -0.629) 12.235 4.351 ( 5.967 -1.475 0.160) 6.149 8.102 ( -27.503 9.460 -1.049) 29.103 8.608 ( 8.897 -30.916 -0.719) 32.179 9.396 ( -14.799 -17.510 -1.766) 22.994 9.491 ( -8.714 -14.254 1.712) 16.794 12.529 ( 8.592 -0.585 -1.797) 8.797 12.875 ( 6.043 11.336 7.583) 14.917 ======================= Grid point 60 (42/371) ======================= q-point: (-0.38 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( -1.943 11.849 -0.399) 12.014 1.712 ( -5.966 6.552 0.677) 8.888 2.000 ( 3.967 5.802 -0.366) 7.038 2.450 ( 2.109 -1.600 1.983) 3.307 2.574 ( 5.391 3.108 -0.985) 6.300 2.682 ( 0.154 3.897 -1.066) 4.043 2.841 ( -0.836 2.395 0.465) 2.579 4.117 ( 2.127 14.887 0.192) 15.039 4.418 ( 3.159 0.973 0.206) 3.312 7.656 ( -17.311 8.091 0.052) 19.108 9.142 ( 8.528 -25.358 -2.133) 26.839 9.516 ( -10.866 -30.066 -0.270) 31.970 9.617 ( -3.126 -13.971 0.959) 14.348 12.641 ( 6.787 2.344 5.078) 8.794 12.802 ( 1.881 9.757 -0.645) 9.958 ======================= Grid point 61 (43/371) ======================= q-point: (-0.31 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 371 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.328 ( 0.000 10.264 0.000) 10.264 1.567 ( 0.000 8.243 0.000) 8.243 1.955 ( 0.000 5.185 0.000) 5.185 2.480 ( 0.000 0.511 0.000) 0.511 2.528 ( 0.000 8.389 0.000) 8.389 2.667 ( 0.000 0.444 0.000) 0.444 2.794 ( 0.000 1.345 0.000) 1.345 3.909 ( 0.000 17.518 0.000) 17.518 4.413 ( 0.000 3.066 0.000) 3.066 7.442 ( 0.000 4.731 0.000) 4.731 9.452 ( -0.000 -17.241 -0.000) 17.241 9.780 ( -0.000 -12.082 -0.000) 12.082 9.954 ( -0.000 -38.981 -0.000) 38.981 12.577 ( 0.000 16.915 0.000) 16.915 12.766 ( -0.000 -3.012 -0.000) 3.012 ======================= Grid point 70 (44/371) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 371 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.896 ( -2.945 -0.000 10.550) 10.953 2.057 ( 7.277 0.000 4.770) 8.701 2.121 ( 1.976 0.000 0.932) 2.185 2.293 ( -4.674 -0.000 -6.502) 8.008 2.660 ( 3.897 0.000 0.605) 3.944 2.669 ( 3.726 0.000 0.057) 3.726 2.869 ( 3.346 0.000 -0.587) 3.397 4.149 ( 12.467 0.000 -2.450) 12.705 4.441 ( 6.051 0.000 -2.200) 6.439 7.671 ( 10.179 0.000 -1.591) 10.302 8.994 ( -35.001 -0.000 1.925) 35.054 9.113 ( -15.100 -0.000 -0.332) 15.104 9.317 ( -18.338 -0.000 -1.322) 18.386 12.409 ( 10.338 0.000 -12.049) 15.877 12.993 ( 7.067 0.000 13.645) 15.367 ======================= Grid point 71 (45/371) ======================= q-point: ( 0.46 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.888 ( -3.323 2.848 7.510) 8.692 2.035 ( -0.806 8.381 0.495) 8.434 2.166 ( -1.603 2.082 -3.671) 4.515 2.252 ( 1.781 -6.177 1.776) 6.669 2.645 ( 5.530 5.480 -0.901) 7.837 2.784 ( 2.258 -3.958 0.114) 4.558 2.885 ( 2.370 2.742 -0.378) 3.644 4.297 ( 8.723 -1.568 -1.428) 8.977 4.480 ( 4.987 4.393 -0.726) 6.685 7.920 ( 12.921 -13.618 -1.660) 18.846 8.461 ( -26.891 12.155 1.273) 29.538 9.034 ( -13.621 -10.395 -0.993) 17.163 9.117 ( -15.689 -9.476 0.190) 18.330 12.473 ( 6.319 -1.674 -7.099) 9.651 13.125 ( 6.218 5.167 10.577) 13.313 ======================= Grid point 72 (46/371) ======================= q-point: (-0.46 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.816 ( -1.758 7.579 3.463) 8.516 1.866 ( -4.554 7.330 -1.950) 8.847 2.131 ( 2.112 3.251 -0.353) 3.892 2.358 ( 1.232 -4.614 1.493) 5.003 2.650 ( 5.142 3.896 -0.955) 6.522 2.799 ( -2.042 2.294 -0.216) 3.079 2.886 ( 2.109 0.994 -0.102) 2.334 4.403 ( 4.283 -1.453 -0.409) 4.541 4.443 ( 2.694 8.484 -0.036) 8.902 7.974 ( -14.742 14.086 0.240) 20.391 8.371 ( 12.156 -24.797 -0.796) 27.628 8.955 ( -15.418 -12.615 -1.037) 19.948 9.191 ( -5.110 -16.662 0.963) 17.455 12.550 ( 3.313 -4.129 -2.616) 5.905 13.139 ( 3.588 9.993 5.548) 11.980 ======================= Grid point 73 (47/371) ======================= q-point: (-0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 371 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.659 ( 0.000 12.968 0.000) 12.968 1.750 ( 0.000 5.074 0.000) 5.074 2.097 ( 0.000 4.431 0.000) 4.431 2.430 ( -0.000 -3.726 -0.000) 3.726 2.657 ( 0.000 1.443 0.000) 1.443 2.716 ( 0.000 5.227 0.000) 5.227 2.879 ( 0.000 2.356 0.000) 2.356 4.320 ( 0.000 12.067 0.000) 12.067 4.445 ( -0.000 -0.514 -0.000) 0.514 7.681 ( 0.000 12.466 0.000) 12.466 8.908 ( -0.000 -34.753 -0.000) 34.753 8.995 ( -0.000 -14.913 -0.000) 14.913 9.391 ( -0.000 -16.224 -0.000) 16.224 12.636 ( -0.000 -5.541 -0.000) 5.541 13.015 ( 0.000 13.917 0.000) 13.917 ======================= Grid point 84 (48/371) ======================= q-point: ( 0.46 -0.54 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 371 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.882 ( -3.754 -0.000 1.409) 4.010 2.053 ( -3.296 -0.000 -0.473) 3.330 2.187 ( 0.998 0.000 0.121) 1.005 2.241 ( 2.702 0.000 1.975) 3.347 2.750 ( 1.867 0.000 -0.158) 1.874 2.786 ( 4.137 0.000 0.042) 4.137 2.906 ( -0.881 -0.000 -0.823) 1.206 4.377 ( 5.059 0.000 -0.938) 5.145 4.563 ( 2.788 0.000 -0.187) 2.795 7.998 ( 12.275 0.000 -0.858) 12.305 8.270 ( -15.790 -0.000 0.923) 15.817 8.813 ( -14.862 -0.000 -0.653) 14.877 8.833 ( -5.006 -0.000 0.037) 5.006 12.486 ( 2.641 0.000 -3.557) 4.431 13.282 ( 3.680 0.000 5.891) 6.946 ======================= Grid point 86 (49/371) ======================= q-point: (-0.46 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 371 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.841 ( 0.000 1.698 0.000) 1.698 1.974 ( 0.000 8.128 0.000) 8.128 2.177 ( 0.000 1.739 0.000) 1.739 2.307 ( -0.000 -4.580 -0.000) 4.580 2.738 ( 0.000 3.178 0.000) 3.178 2.811 ( 0.000 1.743 0.000) 1.743 2.896 ( -0.000 -0.808 -0.000) 0.808 4.416 ( -0.000 -0.945 -0.000) 0.945 4.551 ( 0.000 4.436 0.000) 4.436 8.064 ( 0.000 12.464 0.000) 12.464 8.198 ( -0.000 -14.499 -0.000) 14.499 8.708 ( -0.000 -4.390 -0.000) 4.390 8.931 ( -0.000 -15.182 -0.000) 15.182 12.512 ( -0.000 -2.699 -0.000) 2.699 13.289 ( 0.000 5.354 0.000) 5.354 ======================= Grid point 171 (50/371) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.246 ( -6.873 -0.000 13.112) 14.804 0.351 ( 1.074 0.000 16.665) 16.700 0.621 ( -3.330 -0.000 31.174) 31.351 1.660 ( -0.480 -0.000 2.057) 2.112 1.711 ( 1.985 0.000 4.863) 5.252 2.164 ( 0.038 0.000 -3.288) 3.288 2.173 ( -0.108 -0.000 -1.521) 1.525 3.347 ( -0.179 -0.000 -4.725) 4.729 4.593 ( -0.506 -0.000 -1.499) 1.582 7.816 ( 3.902 0.000 3.528) 5.260 7.875 ( 0.128 0.000 6.010) 6.011 10.439 ( 0.125 0.000 -0.276) 0.303 12.107 ( -0.157 -0.000 -1.333) 1.342 12.183 ( 1.031 0.000 0.389) 1.102 14.120 ( -3.140 -0.000 3.343) 4.586 ======================= Grid point 172 (51/371) ======================= q-point: ( 0.08 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.427 ( 9.010 -9.542 7.580) 15.156 0.547 ( 7.549 -5.344 12.456) 15.515 1.078 ( 17.287 -16.746 17.537) 29.780 1.738 ( 2.051 -4.145 2.808) 5.411 1.804 ( 1.484 -3.088 7.237) 8.007 2.130 ( -1.277 1.110 -2.652) 3.146 2.280 ( 8.668 -8.775 -1.106) 12.384 3.001 ( -11.518 10.662 -0.272) 15.698 4.491 ( -3.198 4.715 -4.203) 7.080 8.052 ( 8.753 -8.519 7.591) 14.381 8.927 ( 42.876 -48.325 -32.398) 72.273 10.420 ( -0.640 1.881 0.285) 2.007 12.059 ( -4.186 0.916 -2.394) 4.908 12.136 ( -7.610 3.917 3.103) 9.104 13.299 ( -34.409 43.480 34.458) 65.283 ======================= Grid point 173 (52/371) ======================= q-point: ( 0.15 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.739 ( 10.803 -10.206 2.130) 15.013 0.838 ( 11.601 -8.709 6.396) 15.854 1.556 ( 12.815 -10.270 1.349) 16.478 1.842 ( 3.245 -2.830 1.815) 4.673 1.883 ( -1.381 -1.170 10.202) 10.362 2.083 ( -2.005 1.004 0.072) 2.244 2.588 ( 9.844 -9.891 0.725) 13.974 2.845 ( 3.831 -3.201 -4.729) 6.877 4.345 ( -3.970 5.122 -4.432) 7.851 8.383 ( 11.762 -12.717 5.718) 18.242 9.596 ( 12.766 -19.792 -18.702) 30.074 10.411 ( 1.606 0.125 2.178) 2.709 11.836 ( -17.721 16.081 10.500) 26.131 11.969 ( -8.900 0.574 -1.480) 9.041 12.700 ( -11.019 23.119 12.801) 28.632 ======================= Grid point 174 (53/371) ======================= q-point: ( 0.23 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( 10.268 -8.799 -0.383) 13.528 1.144 ( 10.520 -8.918 1.422) 13.865 1.660 ( -2.529 2.386 -3.199) 4.725 1.911 ( 6.612 1.781 -0.483) 6.864 1.967 ( 3.205 -2.012 1.343) 4.015 2.038 ( -5.618 -1.461 -0.119) 5.806 2.669 ( 3.302 -2.380 -8.071) 9.039 3.230 ( 17.167 -16.196 10.100) 25.672 4.207 ( -3.708 3.843 -2.164) 5.763 8.786 ( 15.412 -15.652 1.298) 22.005 9.733 ( -0.502 -4.572 -5.697) 7.322 10.466 ( -0.184 -0.671 5.796) 5.838 11.402 ( -16.532 17.369 6.720) 24.902 11.803 ( -9.269 4.034 -3.021) 10.551 12.385 ( -6.305 13.350 -2.179) 14.924 ======================= Grid point 175 (54/371) ======================= q-point: ( 0.31 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.260 ( 9.033 -7.954 -0.845) 12.066 1.347 ( 5.781 -2.447 -4.249) 7.580 1.514 ( -1.937 6.130 -2.656) 6.956 1.946 ( 0.812 -0.595 -13.255) 13.293 1.963 ( -0.833 -0.719 1.479) 1.843 2.038 ( 2.637 0.358 2.819) 3.877 2.713 ( 2.705 -2.429 -3.949) 5.368 3.715 ( 12.207 -12.482 12.055) 21.216 4.123 ( -1.420 1.272 -0.915) 2.115 9.251 ( 17.222 -19.705 -2.101) 26.255 9.747 ( 0.009 -1.571 1.618) 2.256 10.439 ( -7.391 4.434 7.887) 11.683 11.052 ( -6.400 9.739 -3.605) 12.199 11.558 ( -8.399 11.728 -2.560) 14.650 12.101 ( -9.689 8.570 -6.082) 14.294 ======================= Grid point 176 (55/371) ======================= q-point: ( 0.38 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( 4.156 9.990 -8.308) 13.642 1.487 ( 6.081 -9.020 1.286) 10.954 1.527 ( 4.871 -2.231 -3.294) 6.289 1.868 ( -1.882 -2.142 -11.015) 11.378 1.994 ( 2.013 1.399 2.996) 3.871 2.072 ( 1.160 0.542 1.507) 1.978 2.746 ( 0.871 -1.400 -1.772) 2.420 3.941 ( -2.067 -0.514 6.920) 7.240 4.188 ( 6.575 -5.796 1.236) 8.851 9.752 ( 0.451 -31.511 -1.255) 31.540 9.813 ( 16.841 7.140 3.671) 18.656 10.244 ( -9.780 7.781 0.269) 12.501 10.956 ( 2.728 -1.020 -1.765) 3.406 11.227 ( -5.783 20.122 -1.191) 20.970 11.819 ( -11.600 5.120 -6.552) 14.272 ======================= Grid point 177 (56/371) ======================= q-point: ( 0.46 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( 7.307 3.696 -7.812) 11.318 1.563 ( 4.463 1.423 -1.351) 4.876 1.700 ( 1.079 -5.164 0.069) 5.276 1.872 ( 5.258 -6.487 -0.099) 8.350 1.997 ( -0.638 1.985 1.450) 2.540 2.076 ( -0.043 0.882 0.886) 1.250 2.762 ( 0.268 -1.150 -0.566) 1.309 3.888 ( -4.325 2.983 0.317) 5.264 4.323 ( 1.255 -2.259 1.590) 3.034 9.825 ( -1.512 4.865 3.699) 6.296 10.019 ( -7.826 -6.143 -7.938) 12.728 10.307 ( 16.202 -17.607 1.480) 23.973 10.826 ( -9.864 19.694 1.196) 22.058 11.102 ( 6.385 -4.696 4.085) 8.917 11.597 ( -2.397 4.687 -6.625) 8.462 ======================= Grid point 178 (57/371) ======================= q-point: (-0.46 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( 5.792 -3.400 -5.094) 8.430 1.573 ( 3.651 6.542 0.483) 7.508 1.696 ( -3.822 -3.422 0.507) 5.155 1.931 ( -3.244 3.928 -0.951) 5.183 2.057 ( -1.344 0.742 0.467) 1.605 2.168 ( 11.517 -9.768 8.799) 17.478 2.783 ( 0.423 -1.253 0.292) 1.355 3.752 ( -5.851 5.041 -4.601) 8.990 4.299 ( -4.201 2.638 0.341) 4.973 9.699 ( -2.503 5.730 -2.339) 6.676 10.014 ( -2.163 -5.662 -6.320) 8.757 10.351 ( -11.940 21.697 2.345) 24.876 10.818 ( 12.179 -18.242 1.649) 21.996 11.211 ( -8.684 -8.442 6.668) 13.825 11.649 ( 19.912 1.002 -3.610) 20.261 ======================= Grid point 179 (58/371) ======================= q-point: (-0.38 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( 3.706 -6.268 -3.374) 8.025 1.488 ( -3.733 4.853 1.355) 6.270 1.699 ( -4.669 3.701 5.006) 7.782 1.827 ( 1.679 1.887 -3.701) 4.481 2.018 ( -2.591 1.098 -0.383) 2.840 2.479 ( 6.502 -5.102 11.115) 13.851 2.810 ( 1.099 -1.510 0.613) 1.966 3.525 ( -9.050 7.771 -7.852) 14.281 4.183 ( -4.546 3.676 -0.005) 5.847 9.613 ( -6.776 -3.980 -3.162) 8.471 9.788 ( -13.219 23.193 -0.442) 26.700 10.089 ( 4.505 1.793 -7.157) 8.645 11.125 ( 2.040 -6.106 5.846) 8.695 11.361 ( 5.587 -15.856 3.088) 17.093 11.938 ( 17.517 -4.290 -1.023) 18.064 ======================= Grid point 180 (59/371) ======================= q-point: (-0.31 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( -7.081 6.390 1.721) 9.692 1.492 ( -10.574 9.812 2.089) 14.575 1.505 ( 3.242 -6.195 -2.979) 7.600 1.890 ( 3.595 -0.913 0.232) 3.716 1.959 ( -1.289 1.221 -0.283) 1.798 2.497 ( -8.868 8.122 4.685) 12.905 2.901 ( 3.952 -3.448 2.599) 5.853 3.208 ( -12.003 10.455 -5.392) 16.806 4.130 ( 1.142 -1.022 -0.494) 1.610 9.186 ( -27.454 14.339 -5.012) 31.376 9.662 ( 10.111 3.516 -0.955) 10.747 10.121 ( 5.893 -1.878 -6.740) 9.148 11.256 ( 4.077 -3.823 5.830) 8.076 11.685 ( 9.519 -10.598 3.022) 14.562 12.187 ( 9.029 -6.209 -2.787) 11.307 ======================= Grid point 181 (60/371) ======================= q-point: (-0.23 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.106 ( -11.197 9.468 2.869) 14.941 1.188 ( -11.922 12.695 1.993) 17.529 1.612 ( 3.824 -3.337 -1.841) 5.399 1.836 ( -5.562 1.417 -0.961) 5.820 2.026 ( 4.625 -0.040 1.825) 4.972 2.124 ( -18.918 16.202 -1.319) 24.943 2.868 ( -11.992 11.126 -1.978) 16.477 2.975 ( 0.534 -0.024 1.860) 1.936 4.233 ( 6.120 -5.840 -0.829) 8.500 8.594 ( -22.582 14.860 -7.413) 28.031 9.795 ( 10.546 -3.495 -4.730) 12.075 10.241 ( 8.997 -4.464 0.185) 10.045 11.413 ( 6.803 -2.706 6.033) 9.487 11.929 ( 9.027 -3.681 3.254) 10.277 12.304 ( 0.129 -5.097 -5.415) 7.438 ======================= Grid point 182 (61/371) ======================= q-point: (-0.15 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.803 ( -13.381 12.790 4.646) 19.085 0.852 ( -12.727 13.943 3.226) 19.152 1.508 ( -24.698 21.778 -0.003) 32.928 1.682 ( 1.446 0.604 1.678) 2.296 1.743 ( -4.393 1.505 1.391) 4.848 2.122 ( 3.386 -1.750 -0.043) 3.812 2.547 ( -11.454 10.848 -0.004) 15.776 2.959 ( -0.139 1.495 -2.342) 2.782 4.402 ( 6.174 -6.318 -1.901) 9.036 8.111 ( -15.872 9.504 -6.648) 19.658 9.935 ( 8.318 -4.014 -17.428) 19.724 10.469 ( 9.456 -3.714 2.689) 10.510 11.618 ( 11.011 -4.475 15.735) 19.720 12.076 ( 8.135 2.039 2.385) 8.719 12.287 ( -7.269 -5.048 -0.167) 8.852 ======================= Grid point 183 (62/371) ======================= q-point: (-0.08 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.477 ( -14.622 11.464 7.744) 20.130 0.495 ( -12.639 15.401 5.734) 20.732 0.880 ( -25.207 20.656 13.832) 35.404 1.682 ( 0.141 1.863 2.231) 2.910 1.717 ( -0.916 1.940 4.030) 4.565 2.169 ( 1.519 -0.733 -1.332) 2.149 2.282 ( -7.610 6.931 -1.263) 10.370 2.981 ( 6.929 -4.444 3.906) 9.111 4.528 ( 3.642 -4.249 -3.006) 6.352 7.847 ( -8.721 0.190 -1.677) 8.883 9.515 ( -30.157 40.918 -65.650) 83.028 10.459 ( -1.566 3.580 -3.267) 5.093 12.061 ( 8.935 -4.523 0.908) 10.056 12.138 ( 6.556 2.558 1.872) 7.282 12.693 ( 30.747 -44.210 66.818) 85.817 ======================= Grid point 185 (63/371) ======================= q-point: ( 0.08 0.08 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.575 ( 14.255 0.000 8.172) 16.431 0.733 ( 10.742 0.000 9.654) 14.443 1.343 ( 19.292 0.000 8.891) 21.242 1.825 ( 9.331 0.000 3.242) 9.878 1.857 ( 1.813 0.000 11.350) 11.493 2.186 ( 5.868 0.000 2.100) 6.232 2.325 ( 12.362 0.000 -2.711) 12.656 2.887 ( -9.945 -0.000 -4.265) 10.822 4.438 ( -5.065 -0.000 -4.720) 6.923 7.893 ( -5.006 -0.000 7.376) 8.914 9.388 ( 56.785 0.000 -19.970) 60.194 10.415 ( -1.830 -0.000 -0.134) 1.835 11.948 ( -9.888 -0.000 -1.699) 10.033 12.055 ( -14.432 -0.000 6.135) 15.682 13.194 ( -36.504 -0.000 22.373) 42.815 ======================= Grid point 186 (64/371) ======================= q-point: ( 0.15 0.08 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.831 ( 12.209 -2.349 6.222) 13.903 0.969 ( 12.894 -4.531 5.416) 14.701 1.560 ( 5.329 -4.743 -5.312) 8.894 1.947 ( 6.238 2.233 6.689) 9.415 1.995 ( 6.994 0.660 8.731) 11.206 2.230 ( 10.296 11.164 3.577) 15.603 2.597 ( 8.229 -5.916 -2.789) 10.512 2.826 ( 8.160 -8.815 -2.601) 12.290 4.317 ( -4.396 3.216 -4.286) 6.932 8.034 ( -8.315 -24.573 5.251) 26.468 9.882 ( 33.275 7.720 -10.135) 35.630 10.406 ( -0.821 -3.104 1.100) 3.394 11.776 ( -17.750 2.640 2.361) 18.099 11.792 ( -19.908 3.824 6.362) 21.247 12.821 ( -14.687 12.126 5.476) 19.817 ======================= Grid point 187 (65/371) ======================= q-point: ( 0.23 0.08 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( 8.356 -4.743 4.082) 10.440 1.243 ( 13.431 -4.727 1.189) 14.288 1.607 ( 2.156 -1.521 -6.380) 6.904 1.984 ( -0.219 5.485 3.702) 6.621 2.079 ( 7.769 4.830 2.115) 9.389 2.232 ( 12.511 13.220 0.514) 18.209 2.633 ( 3.219 -2.543 -7.684) 8.710 3.279 ( 15.610 -18.318 7.760) 25.287 4.200 ( -2.497 3.567 -2.233) 4.893 8.343 ( -10.006 -34.712 1.697) 36.165 10.003 ( 16.096 12.904 -3.734) 20.965 10.479 ( -0.567 -1.873 6.109) 6.414 11.376 ( -19.392 10.985 1.881) 22.367 11.589 ( -16.497 -2.781 -2.388) 16.900 12.525 ( -3.862 15.284 -1.910) 15.880 ======================= Grid point 188 (66/371) ======================= q-point: ( 0.31 0.08 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( 8.330 -6.374 3.572) 11.081 1.464 ( 12.130 -2.222 -2.016) 12.495 1.583 ( 3.105 6.863 -4.003) 8.530 1.886 ( 2.706 6.748 -5.115) 8.890 2.128 ( 6.169 4.273 2.143) 7.804 2.201 ( 8.921 12.271 -1.381) 15.234 2.685 ( 2.369 -3.329 -3.801) 5.580 3.735 ( 8.616 -14.699 8.676) 19.120 4.134 ( 0.579 2.075 -1.556) 2.658 8.718 ( -10.316 -39.420 -0.079) 40.748 10.022 ( 10.508 7.813 -0.517) 13.105 10.420 ( -13.092 4.658 8.218) 16.144 11.054 ( -6.670 6.055 -7.651) 11.819 11.396 ( -10.909 -1.334 -5.010) 12.078 12.255 ( -0.246 19.217 0.097) 19.219 ======================= Grid point 189 (67/371) ======================= q-point: ( 0.38 0.08 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.453 ( 3.104 9.304 -5.899) 11.446 1.517 ( 12.523 -3.945 6.132) 14.492 1.618 ( 11.798 1.210 -3.417) 12.342 1.841 ( 4.854 4.151 -5.113) 8.181 2.135 ( 2.863 7.829 0.207) 8.338 2.155 ( 5.842 5.734 1.359) 8.298 2.729 ( 1.491 -1.729 -1.821) 2.921 3.947 ( -0.947 -0.905 5.531) 5.684 4.183 ( 4.247 -6.028 -1.203) 7.471 9.131 ( -9.487 -40.187 -0.086) 41.292 10.048 ( -3.046 4.288 2.845) 5.980 10.174 ( -8.252 1.694 -2.588) 8.812 10.847 ( -19.448 -2.222 -1.883) 19.665 11.340 ( 13.593 5.165 -8.002) 16.598 12.006 ( 3.935 21.633 3.983) 22.346 ======================= Grid point 190 (68/371) ======================= q-point: ( 0.46 0.08 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( 4.800 8.478 -6.538) 11.733 1.688 ( 2.642 3.236 -2.314) 4.776 1.774 ( 14.180 5.772 3.501) 15.705 1.899 ( 10.807 -6.937 2.972) 13.182 2.062 ( 0.193 5.989 0.048) 5.992 2.154 ( 4.072 5.611 1.199) 7.036 2.758 ( 1.709 -0.693 -0.486) 1.907 3.895 ( -2.482 5.115 -0.635) 5.721 4.291 ( -0.318 -3.893 0.337) 3.921 9.524 ( -8.269 -33.345 -3.668) 34.550 9.792 ( -16.718 2.775 -0.475) 16.954 10.253 ( 3.428 -11.049 -0.572) 11.582 10.554 ( -26.938 -3.905 0.230) 27.221 11.455 ( 19.564 12.685 -0.364) 23.320 11.870 ( 14.318 16.009 1.940) 21.565 ======================= Grid point 191 (69/371) ======================= q-point: (-0.46 0.08 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( 5.633 2.819 -5.545) 8.392 1.595 ( -4.437 4.875 -0.181) 6.594 1.864 ( 8.888 8.028 3.188) 12.394 1.973 ( 2.010 5.937 -1.263) 6.394 2.118 ( 3.155 6.039 0.729) 6.852 2.253 ( 12.786 -9.478 6.675) 17.259 2.790 ( 1.887 -0.230 0.392) 1.941 3.743 ( -4.302 8.124 -3.957) 10.008 4.279 ( -3.081 1.736 0.221) 3.543 9.449 ( -26.160 -5.550 -6.632) 27.553 9.818 ( -3.301 -14.737 -0.684) 15.118 10.253 ( -17.853 -0.366 -0.773) 17.874 10.557 ( 1.026 -26.354 1.580) 26.422 11.465 ( 13.890 20.259 9.395) 26.299 12.002 ( 23.385 5.464 -4.067) 24.357 ======================= Grid point 192 (70/371) ======================= q-point: (-0.38 0.08 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( 3.270 -1.792 -3.439) 5.073 1.476 ( -1.713 3.896 -0.403) 4.275 1.747 ( -7.091 8.721 1.972) 11.412 2.013 ( 11.565 7.610 1.636) 13.940 2.066 ( 2.838 6.415 0.021) 7.015 2.541 ( 5.456 -5.427 4.152) 8.744 2.821 ( 2.252 -0.834 0.326) 2.423 3.511 ( -6.274 11.466 -3.306) 13.482 4.194 ( -1.624 4.318 -0.324) 4.624 9.067 ( -38.155 -7.804 -3.709) 39.121 9.907 ( -0.509 -3.856 -1.422) 4.141 10.092 ( -2.727 -0.060 -4.630) 5.374 10.978 ( 0.297 -29.568 1.973) 29.635 11.466 ( 14.938 15.465 9.275) 23.417 12.222 ( 20.271 3.851 -4.383) 21.094 ======================= Grid point 193 (71/371) ======================= q-point: (-0.31 0.08 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( -8.480 2.603 1.451) 8.988 1.501 ( -6.285 7.867 0.055) 10.070 1.532 ( 6.170 1.381 -0.899) 6.386 1.968 ( 1.355 7.911 -0.067) 8.026 2.105 ( 9.784 6.024 1.530) 11.592 2.504 ( -7.779 8.524 -1.377) 11.622 2.908 ( 3.803 -3.731 -1.759) 5.611 3.235 ( -7.168 14.203 1.893) 16.022 4.156 ( 2.959 1.097 -0.783) 3.252 8.588 ( -41.910 -7.204 -4.457) 42.757 9.936 ( 4.918 2.634 1.599) 5.803 10.111 ( 4.750 -4.436 -5.658) 8.617 11.341 ( 1.932 -17.334 3.222) 17.736 11.582 ( 12.053 0.300 3.935) 12.682 12.376 ( 14.833 5.375 -4.472) 16.398 ======================= Grid point 194 (72/371) ======================= q-point: (-0.23 0.08 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( -9.154 7.348 2.260) 11.954 1.220 ( -11.767 12.087 4.447) 17.445 1.657 ( 8.076 -0.758 -2.220) 8.410 1.878 ( 1.835 8.472 0.661) 8.694 2.095 ( -5.307 10.834 -8.155) 14.562 2.205 ( 0.069 13.001 6.869) 14.704 2.897 ( -3.509 10.425 -4.913) 12.047 3.001 ( -2.834 4.619 2.924) 6.158 4.235 ( 5.163 -4.218 -1.027) 6.746 8.101 ( -35.907 -5.840 -5.803) 36.839 10.004 ( 9.492 3.140 0.959) 10.043 10.274 ( 7.627 -8.783 1.156) 11.690 11.555 ( 6.546 -3.672 4.679) 8.845 11.793 ( 2.365 -12.827 -1.194) 13.097 12.422 ( 9.666 8.285 -4.724) 13.579 ======================= Grid point 195 (73/371) ======================= q-point: (-0.15 0.08 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.837 ( -9.906 12.994 2.344) 16.507 0.922 ( -10.179 13.232 5.599) 17.608 1.583 ( -8.112 22.159 -3.945) 23.925 1.770 ( 3.047 3.879 4.795) 6.879 1.839 ( 3.205 8.870 2.810) 9.841 2.201 ( 3.725 4.271 3.591) 6.709 2.603 ( -5.879 15.623 -1.631) 16.772 2.955 ( 0.083 0.934 -5.242) 5.325 4.365 ( 3.428 -6.559 -2.389) 7.777 7.752 ( -19.737 -5.438 -3.143) 20.713 10.097 ( 12.333 5.873 -4.370) 14.342 10.499 ( 2.507 -5.152 1.115) 5.837 11.746 ( 4.818 -10.579 12.189) 16.843 11.953 ( -2.686 -12.231 -1.594) 12.623 12.379 ( 6.382 9.071 -1.595) 11.205 ======================= Grid point 196 (74/371) ======================= q-point: (-0.08 0.08 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.528 ( -5.874 15.342 3.429) 16.782 0.653 ( -5.056 15.632 7.377) 18.009 1.176 ( 1.815 27.068 8.920) 28.558 1.789 ( 0.413 3.777 4.901) 6.201 1.801 ( 1.882 6.018 5.014) 8.056 2.192 ( -1.819 2.520 1.450) 3.430 2.348 ( 1.748 12.596 -3.107) 13.091 2.945 ( -0.291 -5.175 -3.159) 6.070 4.460 ( 0.351 -6.106 -4.042) 7.331 7.741 ( 9.780 -4.948 3.403) 11.476 9.846 ( 3.182 49.240 -34.079) 59.968 10.412 ( -5.355 -1.054 -1.052) 5.558 12.045 ( -0.248 -6.630 -2.692) 7.160 12.127 ( -5.926 -12.878 10.752) 17.792 12.576 ( 4.875 -33.353 33.299) 47.382 ======================= Grid point 199 (75/371) ======================= q-point: ( 0.15 0.15 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( 10.349 0.000 6.673) 12.314 1.120 ( 11.011 0.000 5.472) 12.296 1.577 ( 8.325 0.000 -6.927) 10.830 2.075 ( 1.878 0.000 9.373) 9.560 2.161 ( 10.284 0.000 3.901) 10.999 2.504 ( 4.733 0.000 0.091) 4.734 2.732 ( 18.988 0.000 -3.383) 19.287 2.805 ( 8.387 0.000 -0.197) 8.390 4.264 ( -2.761 -0.000 -3.528) 4.479 7.783 ( -8.268 -0.000 5.364) 9.856 10.322 ( 22.436 0.000 -1.960) 22.521 10.324 ( -5.055 -0.000 0.047) 5.056 11.533 ( -19.004 -0.000 -1.035) 19.032 11.553 ( -23.269 -0.000 4.331) 23.669 12.755 ( -7.006 -0.000 -1.054) 7.084 ======================= Grid point 200 (76/371) ======================= q-point: ( 0.23 0.15 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.184 ( 9.779 1.012 6.443) 11.754 1.345 ( 10.581 -4.854 2.956) 12.010 1.685 ( 12.236 1.648 -3.640) 12.872 2.108 ( 2.006 5.321 3.893) 6.891 2.270 ( 7.411 5.160 2.272) 9.312 2.540 ( 4.706 -1.004 -2.758) 5.546 2.682 ( 9.533 16.360 -3.841) 19.321 3.237 ( 12.716 -20.350 3.065) 24.191 4.209 ( -0.110 2.257 -2.583) 3.432 7.835 ( -8.986 -19.826 2.930) 21.964 10.207 ( -3.552 4.540 -0.622) 5.798 10.487 ( -6.005 0.561 8.325) 10.280 11.209 ( -19.984 3.890 -3.866) 20.723 11.344 ( -4.304 -1.569 -8.712) 9.843 12.642 ( -1.365 7.676 0.678) 7.826 ======================= Grid point 201 (77/371) ======================= q-point: ( 0.31 0.15 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( 13.118 -1.460 6.903) 14.895 1.541 ( 8.602 -2.155 -0.063) 8.868 1.786 ( 11.743 5.880 -1.360) 13.204 2.049 ( 4.958 9.029 -2.148) 10.522 2.286 ( 5.155 5.823 1.520) 7.924 2.520 ( 7.246 17.327 -1.423) 18.835 2.645 ( 2.754 -4.368 -2.848) 5.897 3.667 ( 8.390 -17.020 4.490) 19.500 4.167 ( 1.358 2.729 -3.274) 4.473 8.086 ( -8.546 -31.885 0.766) 33.019 10.109 ( -4.799 0.965 0.085) 4.896 10.267 ( -23.426 3.452 4.705) 24.142 10.846 ( -24.552 1.665 -2.529) 24.738 11.397 ( 18.414 0.223 -14.136) 23.215 12.519 ( 2.003 13.752 5.990) 15.133 ======================= Grid point 202 (78/371) ======================= q-point: ( 0.38 0.15 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( 4.195 4.768 -2.655) 6.883 1.702 ( 15.012 -2.445 6.013) 16.355 1.852 ( 10.612 6.892 -0.456) 12.662 2.009 ( 8.296 7.492 -1.643) 11.298 2.259 ( 1.735 7.292 0.703) 7.528 2.386 ( 6.122 12.353 -0.925) 13.818 2.723 ( 2.976 -2.371 -0.827) 3.894 3.957 ( 3.880 -5.929 5.280) 8.836 4.141 ( 1.762 -1.648 -5.321) 5.842 8.467 ( -6.646 -38.173 -0.793) 38.755 9.885 ( -24.366 3.621 -0.843) 24.648 10.067 ( -5.559 -4.575 -1.158) 7.292 10.471 ( -27.781 -1.437 0.021) 27.818 11.610 ( 24.193 1.537 -10.859) 26.563 12.401 ( 6.046 18.028 9.520) 21.265 ======================= Grid point 203 (79/371) ======================= q-point: ( 0.46 0.15 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( 4.185 8.656 -4.431) 10.586 1.808 ( 1.436 9.846 -0.556) 9.965 2.007 ( 12.658 -5.634 6.350) 15.241 2.075 ( 12.033 6.186 1.207) 13.584 2.153 ( 1.238 6.934 -1.377) 7.177 2.338 ( 6.569 8.875 0.422) 11.050 2.782 ( 3.090 -0.718 0.049) 3.173 3.961 ( 0.791 7.360 -1.236) 7.505 4.226 ( 1.216 -5.779 -0.350) 5.916 8.903 ( -5.570 -36.850 -4.750) 37.570 9.494 ( -27.514 -0.547 0.284) 27.520 10.086 ( -5.496 -10.569 -0.948) 11.950 10.160 ( -22.172 -4.267 0.470) 22.583 11.853 ( 21.924 4.531 -2.985) 22.586 12.319 ( 11.571 17.908 6.758) 22.366 ======================= Grid point 204 (80/371) ======================= q-point: (-0.46 0.15 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( 4.665 6.779 -2.882) 8.719 1.668 ( 0.273 9.853 -0.782) 9.887 1.969 ( -5.803 7.599 1.126) 9.627 2.191 ( 11.685 4.654 1.990) 12.734 2.300 ( 5.232 9.117 0.885) 10.548 2.332 ( 12.291 -6.555 1.056) 13.969 2.825 ( 2.337 0.294 0.351) 2.381 3.825 ( -0.154 11.172 -1.734) 11.307 4.273 ( 0.379 0.194 -0.032) 0.427 8.910 ( -32.832 -5.020 -5.337) 33.640 9.452 ( -6.482 -27.159 0.344) 27.924 10.000 ( -11.366 -5.849 -0.134) 12.784 10.223 ( -4.204 -20.678 -0.195) 21.102 12.001 ( 16.136 15.811 8.915) 24.287 12.343 ( 16.827 7.679 -3.874) 18.898 ======================= Grid point 205 (81/371) ======================= q-point: (-0.38 0.15 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( -2.751 4.637 1.333) 5.554 1.595 ( 8.826 6.421 -4.241) 11.710 1.770 ( -8.383 8.417 2.457) 12.131 2.233 ( 4.685 10.667 0.818) 11.679 2.276 ( 8.844 5.240 0.857) 10.316 2.543 ( 5.189 -4.506 -1.005) 6.945 2.841 ( 1.058 0.032 -0.421) 1.139 3.636 ( -0.947 14.664 0.577) 14.705 4.250 ( 1.811 3.941 -0.929) 4.436 8.430 ( -39.279 -3.356 -1.305) 39.444 9.702 ( -2.233 -18.102 -3.962) 18.664 9.987 ( -3.459 -6.254 0.352) 7.156 10.545 ( -2.297 -31.157 0.416) 31.244 12.001 ( 14.672 20.434 7.381) 26.216 12.481 ( 15.141 2.179 -5.425) 16.230 ======================= Grid point 206 (82/371) ======================= q-point: (-0.31 0.15 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( -6.126 4.368 3.043) 8.116 1.514 ( -9.548 9.176 1.360) 13.312 1.678 ( 10.072 3.261 -1.767) 10.733 2.154 ( 5.264 11.062 0.890) 12.283 2.291 ( 4.722 5.979 -3.452) 8.365 2.542 ( -1.503 7.223 1.605) 7.550 2.881 ( 1.850 -3.941 -3.026) 5.302 3.402 ( -2.504 17.312 1.804) 17.585 4.229 ( 3.896 3.315 -1.216) 5.258 7.952 ( -35.121 -3.801 -1.031) 35.341 9.876 ( 0.141 -12.679 0.283) 12.682 10.064 ( 1.122 -6.805 0.030) 6.897 10.959 ( -1.591 -31.142 0.148) 31.183 11.957 ( 12.500 16.069 -0.402) 20.362 12.596 ( 11.047 3.800 -4.075) 12.373 ======================= Grid point 207 (83/371) ======================= q-point: (-0.23 0.15 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( -4.793 6.124 3.270) 8.436 1.242 ( -10.878 11.116 2.953) 15.831 1.753 ( 5.810 1.569 -2.480) 6.509 2.088 ( 5.822 11.337 1.661) 12.852 2.166 ( -0.280 11.699 -7.114) 13.695 2.423 ( -0.173 10.227 8.307) 13.177 2.927 ( 2.442 -1.400 -5.567) 6.239 3.115 ( -4.184 18.269 0.067) 18.743 4.252 ( 3.160 -0.433 -1.391) 3.480 7.607 ( -20.374 -4.361 -0.322) 20.838 10.067 ( 1.851 -8.095 7.940) 11.489 10.217 ( 3.858 -11.408 0.944) 12.080 11.325 ( -1.756 -24.650 -0.042) 24.713 11.891 ( 6.131 8.981 -7.594) 13.263 12.619 ( 6.570 7.028 -4.066) 10.445 ======================= Grid point 208 (84/371) ======================= q-point: (-0.15 0.15 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.937 ( -2.739 13.812 0.816) 14.104 0.999 ( -4.788 9.084 4.655) 11.275 1.723 ( 0.447 6.946 -5.548) 8.901 1.946 ( 1.920 13.085 0.924) 13.257 2.027 ( 1.221 9.750 4.518) 10.815 2.347 ( -1.558 8.226 8.176) 11.702 2.799 ( 0.650 19.228 -3.010) 19.473 2.926 ( 0.676 0.694 -7.007) 7.074 4.299 ( 0.293 -4.205 -2.310) 4.807 7.574 ( 5.378 -6.437 3.184) 8.972 10.220 ( 2.392 -4.666 5.597) 7.669 10.446 ( -0.024 -6.992 6.284) 9.400 11.554 ( -4.977 -14.713 -0.696) 15.548 11.828 ( -0.291 -5.227 -7.091) 8.814 12.547 ( 2.422 7.985 -3.072) 8.892 ======================= Grid point 209 (85/371) ======================= q-point: (-0.08 0.15 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.760 ( 6.225 13.551 0.936) 14.942 0.868 ( 2.731 12.799 5.316) 14.126 1.574 ( 6.942 13.938 -2.125) 15.715 1.869 ( -0.852 4.032 4.658) 6.219 1.925 ( -2.416 7.594 6.300) 10.159 2.209 ( -6.709 7.980 2.767) 10.787 2.614 ( 8.017 13.705 -0.799) 15.898 2.877 ( 1.920 2.219 -6.999) 7.589 4.338 ( -2.227 -5.702 -3.672) 7.138 7.964 ( 28.839 -8.657 5.714) 30.648 10.196 ( -15.060 24.393 -12.595) 31.312 10.342 ( 5.073 0.164 2.571) 5.690 11.707 ( -13.595 -23.048 11.495) 29.123 11.957 ( -0.682 -12.123 -0.795) 12.169 12.497 ( -0.835 -3.300 3.746) 5.062 ======================= Grid point 213 (86/371) ======================= q-point: ( 0.23 0.23 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.397 ( 13.462 0.000 7.501) 15.411 1.484 ( 11.456 0.000 3.793) 12.068 1.863 ( 11.867 0.000 -1.135) 11.922 2.193 ( 2.783 0.000 -0.076) 2.784 2.428 ( 6.140 0.000 2.388) 6.588 2.518 ( 2.987 0.000 -3.838) 4.864 2.957 ( -2.110 -0.000 2.873) 3.565 3.238 ( 19.840 0.000 -2.702) 20.023 4.218 ( 1.502 0.000 -3.537) 3.843 7.607 ( -6.768 -0.000 1.843) 7.015 10.121 ( -9.884 -0.000 -0.259) 9.888 10.317 ( -25.069 -0.000 7.131) 26.063 10.883 ( -28.062 -0.000 0.247) 28.063 11.392 ( 21.580 0.000 -19.221) 28.899 12.712 ( 0.987 0.000 6.189) 6.268 ======================= Grid point 214 (87/371) ======================= q-point: ( 0.31 0.23 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( 12.870 2.234 6.222) 14.468 1.678 ( 12.703 -0.973 3.858) 13.311 1.974 ( 7.763 1.840 -0.874) 8.026 2.197 ( 4.193 4.568 -1.927) 6.494 2.444 ( 4.402 6.279 1.069) 7.742 2.615 ( 4.065 -4.989 -1.009) 6.513 2.797 ( -0.875 14.207 0.430) 14.240 3.603 ( 13.887 -13.817 0.038) 19.589 4.204 ( 2.444 2.375 -4.306) 5.492 7.659 ( -4.300 -17.078 0.181) 17.612 9.964 ( -26.373 1.641 0.426) 26.427 9.978 ( -11.777 -1.739 -0.173) 11.906 10.467 ( -31.522 0.490 0.634) 31.532 11.618 ( 25.182 -0.263 -15.924) 29.795 12.748 ( 3.502 6.621 10.731) 13.086 ======================= Grid point 215 (88/371) ======================= q-point: ( 0.38 0.23 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( 6.209 7.396 0.550) 9.673 1.913 ( 12.638 -1.404 6.437) 14.253 2.035 ( 5.607 4.108 -0.185) 6.954 2.184 ( 5.861 3.551 -1.408) 6.995 2.392 ( 0.890 8.642 0.866) 8.731 2.613 ( 4.053 10.957 -2.095) 11.869 2.733 ( 3.393 -2.814 0.623) 4.452 3.944 ( 9.395 -11.061 1.604) 14.601 4.169 ( 3.515 4.861 -4.200) 7.323 7.938 ( -1.271 -28.775 -1.370) 28.836 9.559 ( -27.016 3.738 -2.432) 27.381 9.862 ( -12.317 -6.015 -0.475) 13.715 10.056 ( -29.321 -3.053 1.080) 29.500 11.879 ( 22.939 -0.673 -9.753) 24.935 12.757 ( 6.268 11.836 11.532) 17.674 ======================= Grid point 216 (89/371) ======================= q-point: (-0.54 0.23 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( 4.927 9.979 -0.769) 11.156 1.955 ( -0.228 9.519 1.211) 9.598 2.099 ( 1.177 -0.397 2.468) 2.763 2.262 ( 6.927 0.872 1.231) 7.089 2.285 ( 6.414 6.119 -1.499) 8.991 2.560 ( 7.429 8.811 -0.452) 11.534 2.811 ( 2.887 -1.659 0.227) 3.337 4.106 ( 4.811 8.720 -0.900) 10.000 4.182 ( 5.500 -6.315 -0.479) 8.388 8.357 ( 0.619 -32.501 -3.979) 32.749 9.085 ( -32.552 2.676 0.444) 32.665 9.783 ( -16.329 -9.927 -1.616) 19.178 9.832 ( -14.043 -9.383 1.137) 16.927 12.140 ( 19.080 -0.778 -2.869) 19.310 12.731 ( 8.128 15.249 7.985) 19.035 ======================= Grid point 217 (90/371) ======================= q-point: (-0.46 0.23 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( 0.940 10.083 0.739) 10.154 1.832 ( 4.117 9.747 -3.275) 11.076 1.972 ( -8.759 6.025 2.859) 11.009 2.353 ( 5.843 0.236 -1.987) 6.176 2.403 ( 8.401 -1.312 2.940) 8.997 2.540 ( 7.914 8.956 -0.440) 11.959 2.853 ( 1.018 -0.127 -0.164) 1.039 4.015 ( 4.018 12.502 -0.275) 13.134 4.297 ( 4.168 -1.054 -0.561) 4.336 8.409 ( -30.563 0.499 -2.577) 30.675 8.981 ( -2.225 -30.336 -0.496) 30.422 9.747 ( -9.165 -12.067 -0.662) 15.167 9.859 ( -10.141 -17.272 0.459) 20.035 12.378 ( 15.183 1.368 3.462) 15.633 12.656 ( 8.091 15.292 0.413) 17.305 ======================= Grid point 218 (91/371) ======================= q-point: (-0.38 0.23 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( -3.751 9.117 3.084) 10.329 1.727 ( -3.832 6.910 -3.582) 8.675 1.838 ( 3.411 7.306 2.899) 8.569 2.394 ( 4.227 1.468 -3.471) 5.663 2.447 ( 4.461 8.733 1.842) 9.978 2.594 ( 6.760 -0.444 1.299) 6.898 2.837 ( -1.615 0.791 -1.419) 2.291 3.864 ( 2.161 15.823 0.157) 15.970 4.332 ( 4.057 2.761 -1.426) 5.110 7.926 ( -31.452 2.267 0.300) 31.535 9.377 ( 2.249 -24.093 -2.881) 24.369 9.827 ( -3.367 -11.060 0.602) 11.577 10.070 ( -6.145 -30.226 0.667) 30.851 12.460 ( 8.613 18.289 2.394) 20.356 12.629 ( 9.092 -0.504 -3.978) 9.937 ======================= Grid point 219 (92/371) ======================= q-point: (-0.31 0.23 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.265 ( -3.375 7.273 4.623) 9.255 1.521 ( -7.902 9.041 1.492) 12.100 1.838 ( 5.689 4.853 -1.602) 7.648 2.380 ( 4.022 7.478 -0.539) 8.508 2.391 ( 3.960 7.077 -2.531) 8.495 2.643 ( 0.290 4.885 3.642) 6.100 2.816 ( -0.378 -4.083 -2.393) 4.747 3.639 ( 0.023 18.674 -1.157) 18.710 4.324 ( 3.227 4.130 -1.780) 5.535 7.547 ( -19.630 0.486 0.713) 19.649 9.675 ( 2.017 -17.952 1.113) 18.099 9.949 ( -1.020 -10.192 1.124) 10.304 10.486 ( -1.557 -34.972 0.385) 35.009 12.269 ( 3.233 16.885 -8.242) 19.066 12.732 ( 6.544 1.194 -1.322) 6.782 ======================= Grid point 220 (93/371) ======================= q-point: (-0.23 0.23 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.175 ( -1.145 6.260 5.679) 8.530 1.302 ( -3.442 11.750 0.778) 12.268 1.812 ( 0.351 3.276 -2.845) 4.353 2.291 ( 0.297 9.762 -2.644) 10.118 2.306 ( 1.524 9.558 0.295) 9.683 2.564 ( -0.879 6.844 4.430) 8.200 2.880 ( 0.220 -4.366 -1.804) 4.729 3.355 ( 0.690 20.395 -2.695) 20.583 4.287 ( 0.427 3.065 -1.905) 3.634 7.435 ( 1.464 -2.943 1.925) 3.809 9.968 ( 1.196 -15.646 8.706) 17.945 10.096 ( 1.073 -11.683 1.299) 11.804 10.934 ( -0.080 -30.518 -0.028) 30.519 11.992 ( -3.620 13.258 -14.530) 20.000 12.738 ( 2.048 4.873 -3.014) 6.085 ======================= Grid point 221 (94/371) ======================= q-point: (-0.15 0.23 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( 0.005 8.846 0.953) 8.897 1.168 ( 6.696 11.176 3.565) 13.507 1.731 ( -3.199 1.909 -3.690) 5.244 2.109 ( -2.139 11.217 -2.380) 11.665 2.162 ( -4.659 8.808 1.753) 10.118 2.481 ( -1.847 9.220 5.126) 10.710 2.844 ( -4.027 1.952 -8.846) 9.913 3.152 ( 9.671 16.440 2.719) 19.266 4.242 ( -2.028 -0.209 -1.805) 2.722 7.715 ( 24.921 -8.155 4.057) 26.533 10.143 ( -3.502 -7.594 5.131) 9.811 10.368 ( 0.955 -14.363 11.411) 18.369 11.282 ( -0.845 -18.750 -2.433) 18.926 11.661 ( -9.841 2.675 -15.027) 18.161 12.624 ( -2.901 6.991 -4.440) 8.775 ======================= Grid point 222 (95/371) ======================= q-point: (-0.08 0.23 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( 7.884 9.219 -2.117) 12.314 1.155 ( 8.871 11.686 4.303) 15.289 1.663 ( -1.950 -1.584 -3.580) 4.373 1.932 ( -2.500 6.347 -2.292) 7.196 2.002 ( -4.022 6.135 3.806) 8.264 2.273 ( -7.544 12.319 -0.519) 14.455 2.721 ( 1.232 2.632 -9.908) 10.325 3.158 ( 14.890 14.634 8.517) 22.548 4.219 ( -3.260 -3.081 -1.896) 4.870 8.321 ( 37.107 -9.985 3.760) 38.611 10.099 ( -14.300 5.834 -0.145) 15.445 10.469 ( -2.357 3.687 6.262) 7.639 11.321 ( -10.012 -13.198 -0.287) 16.568 11.710 ( -2.374 -19.344 -3.186) 19.748 12.445 ( -7.198 3.176 -4.168) 8.904 ======================= Grid point 227 (96/371) ======================= q-point: ( 0.31 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.831 ( 10.756 0.000 2.296) 10.998 1.890 ( 12.081 0.000 7.401) 14.167 2.051 ( 4.010 0.000 -0.405) 4.031 2.257 ( 1.772 0.000 -2.146) 2.783 2.571 ( 3.626 0.000 0.517) 3.662 2.617 ( 4.251 0.000 0.394) 4.269 2.842 ( -5.175 -0.000 0.069) 5.175 3.724 ( 17.084 0.000 -1.447) 17.145 4.248 ( 4.922 0.000 -3.527) 6.055 7.514 ( 0.398 0.000 -0.525) 0.659 9.629 ( -23.148 -0.000 -1.881) 23.224 9.772 ( -15.022 -0.000 -0.658) 15.036 10.009 ( -35.675 -0.000 1.054) 35.691 11.864 ( 22.875 0.000 -11.521) 25.612 12.923 ( 5.044 0.000 12.219) 13.219 ======================= Grid point 228 (97/371) ======================= q-point: ( 0.38 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.908 ( 7.125 8.177 1.251) 10.917 2.055 ( 3.898 -0.567 6.316) 7.444 2.123 ( 3.973 -0.858 0.454) 4.090 2.235 ( 0.096 0.170 -3.478) 3.483 2.530 ( 1.377 8.609 0.617) 8.741 2.722 ( 2.563 -4.868 0.548) 5.528 2.767 ( 3.217 5.234 -1.408) 6.303 3.981 ( 13.152 -5.805 -0.403) 14.382 4.289 ( 6.799 3.731 -1.950) 7.996 7.652 ( 4.839 -14.875 -1.084) 15.680 9.257 ( -25.349 7.615 -1.896) 26.536 9.572 ( -24.135 -4.950 -0.941) 24.655 9.592 ( -22.220 -7.499 0.851) 23.467 12.103 ( 18.165 -1.066 -5.006) 18.873 13.029 ( 6.044 5.748 10.113) 13.109 ======================= Grid point 229 (98/371) ======================= q-point: (-0.54 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.852 ( 3.414 10.892 0.345) 11.420 2.063 ( -4.539 3.388 -6.554) 8.662 2.075 ( -2.128 4.356 7.116) 8.610 2.305 ( 3.427 -4.228 0.557) 5.471 2.467 ( 6.636 6.555 0.355) 9.335 2.758 ( 6.086 6.097 -0.554) 8.632 2.811 ( 1.731 -3.088 0.073) 3.540 4.205 ( 8.958 -4.548 -0.166) 10.048 4.298 ( 6.587 7.562 -0.767) 10.058 8.009 ( 7.946 -23.646 -2.019) 25.027 8.720 ( -31.515 8.828 0.310) 32.730 9.389 ( -17.355 -11.527 -1.619) 20.897 9.492 ( -14.817 -11.996 0.798) 19.081 12.329 ( 13.177 -2.486 0.449) 13.417 13.046 ( 5.725 10.683 5.393) 13.266 ======================= Grid point 230 (99/371) ======================= q-point: (-0.46 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.707 ( -1.629 11.929 0.865) 12.071 1.894 ( -6.115 4.746 -3.417) 8.461 2.029 ( 1.848 6.070 3.722) 7.356 2.387 ( 2.922 -1.941 -2.021) 4.048 2.525 ( 6.798 1.478 2.610) 7.430 2.734 ( 3.752 6.969 -0.225) 7.918 2.850 ( 0.353 -0.576 -0.811) 1.056 4.242 ( 4.727 11.262 -0.718) 12.235 4.347 ( 5.924 -1.447 -0.524) 6.121 8.081 ( -24.021 8.199 -0.732) 25.393 8.596 ( 6.304 -28.544 -0.679) 29.240 9.370 ( -13.646 -17.713 -0.799) 22.374 9.518 ( -9.200 -14.600 0.752) 17.274 12.534 ( 8.788 -3.616 2.919) 9.941 12.954 ( 3.984 14.649 -0.523) 15.190 ======================= Grid point 231 (100/371) ======================= q-point: (-0.38 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.524 ( -2.419 11.205 2.870) 11.817 1.733 ( -5.375 6.381 1.370) 8.454 1.998 ( 3.364 6.035 0.039) 6.909 2.427 ( 2.638 -0.853 -3.373) 4.366 2.599 ( 4.229 3.411 2.591) 6.019 2.687 ( 0.920 2.859 1.479) 3.347 2.823 ( -0.740 2.637 -2.175) 3.497 4.104 ( 2.101 14.752 -1.449) 14.971 4.407 ( 3.526 1.341 -1.313) 3.995 7.657 ( -17.338 7.829 0.119) 19.024 9.107 ( 9.797 -24.662 -1.210) 26.564 9.518 ( -8.971 -28.906 0.504) 30.270 9.635 ( -4.812 -15.596 0.700) 16.337 12.677 ( 2.282 0.250 -2.764) 3.593 12.767 ( 3.740 13.382 -1.430) 13.969 ======================= Grid point 232 (101/371) ======================= q-point: (-0.31 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.386 ( -0.828 9.372 5.802) 11.053 1.588 ( -1.880 8.971 2.305) 9.451 1.940 ( 0.304 5.703 -1.657) 5.946 2.433 ( 0.619 0.825 -3.717) 3.858 2.546 ( -0.619 7.812 1.754) 8.030 2.722 ( -0.090 1.359 3.999) 4.225 2.755 ( 0.660 0.218 -3.276) 3.349 3.884 ( 0.461 17.650 -2.413) 17.821 4.392 ( 0.513 3.293 -1.979) 3.876 7.446 ( -0.145 4.182 0.368) 4.200 9.472 ( 3.219 -18.506 1.853) 18.875 9.782 ( -0.438 -12.979 0.214) 12.988 9.964 ( -0.940 -38.450 0.909) 38.472 12.417 ( -4.177 16.223 -13.360) 21.427 12.802 ( 2.157 0.301 1.461) 2.622 ======================= Grid point 233 (102/371) ======================= q-point: (-0.23 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.304 ( 0.681 8.125 5.662) 9.926 1.475 ( 3.704 10.287 1.178) 10.997 1.826 ( -3.797 5.446 -2.408) 7.062 2.352 ( -4.369 4.347 -3.883) 7.285 2.400 ( -4.583 9.393 1.200) 10.520 2.673 ( 0.523 5.141 1.998) 5.540 2.794 ( -1.930 -3.801 -2.346) 4.865 3.640 ( 3.291 18.043 -0.371) 18.344 4.314 ( -2.178 4.036 -2.214) 5.093 7.573 ( 20.841 -1.460 1.749) 20.965 9.791 ( 1.410 -19.504 5.583) 20.336 9.954 ( 1.059 -11.880 1.321) 12.000 10.485 ( 0.936 -35.136 0.226) 35.149 12.009 ( -9.021 16.825 -16.447) 25.199 12.773 ( -2.851 3.343 -2.016) 4.834 ======================= Grid point 234 (103/371) ======================= q-point: (-0.15 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.245 ( 4.393 8.306 1.070) 9.457 1.422 ( 5.278 7.627 0.256) 9.279 1.671 ( -5.821 4.444 -2.480) 7.732 2.161 ( -6.822 7.831 -4.604) 11.361 2.200 ( -5.870 8.832 1.696) 10.739 2.559 ( -8.791 6.808 -1.168) 11.180 2.761 ( 0.020 0.250 -6.933) 6.938 3.540 ( 10.861 13.486 7.700) 18.950 4.216 ( -2.897 2.686 -1.742) 4.318 8.059 ( 36.987 -7.341 3.282) 37.851 10.016 ( -2.647 -9.078 4.555) 10.496 10.215 ( 1.689 -17.931 6.773) 19.242 10.936 ( -0.087 -29.789 -0.645) 29.796 11.523 ( -13.024 15.699 -16.438) 26.197 12.606 ( -8.512 6.151 -5.227) 11.731 ======================= Grid point 235 (104/371) ======================= q-point: (-0.08 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( 9.304 7.296 -2.157) 12.019 1.390 ( 1.425 2.948 -3.842) 5.048 1.544 ( -3.523 2.488 -1.241) 4.488 1.952 ( -2.812 5.579 -3.566) 7.193 2.055 ( -2.654 5.049 2.686) 6.304 2.256 ( -12.122 8.761 -9.037) 17.474 2.731 ( 2.523 1.873 -4.779) 5.719 3.616 ( 13.894 11.328 12.525) 21.869 4.149 ( -2.573 0.300 -1.102) 2.815 8.752 ( 41.901 -8.797 2.220) 42.872 10.018 ( -9.031 4.582 3.157) 10.607 10.424 ( -6.029 -7.460 7.452) 12.147 11.097 ( -7.478 2.495 -7.904) 11.163 11.334 ( -2.798 -26.537 -3.284) 26.885 12.328 ( -13.373 5.422 -7.312) 16.177 ======================= Grid point 241 (105/371) ======================= q-point: ( 0.38 0.38 -0.88) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.074 ( -4.168 -0.000 1.552) 4.448 2.101 ( 7.636 0.000 -0.554) 7.656 2.142 ( 2.112 0.000 0.725) 2.233 2.174 ( -4.668 -0.000 0.126) 4.670 2.668 ( 3.523 0.000 -0.201) 3.528 2.674 ( 2.140 0.000 0.589) 2.220 2.851 ( 4.335 0.000 -0.676) 4.387 4.125 ( 12.417 0.000 0.184) 12.419 4.406 ( 7.238 0.000 -1.169) 7.332 7.650 ( 9.995 0.000 -0.387) 10.002 9.020 ( -34.967 -0.000 0.513) 34.971 9.089 ( -13.922 -0.000 -1.988) 14.063 9.300 ( -18.388 -0.000 -0.279) 18.390 12.290 ( 12.220 0.000 0.713) 12.241 13.197 ( 5.232 0.000 6.001) 7.961 ======================= Grid point 242 (106/371) ======================= q-point: (-0.54 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.964 ( -6.325 2.040 -4.748) 8.168 2.029 ( -0.913 9.310 2.362) 9.648 2.149 ( 0.131 2.400 2.858) 3.734 2.268 ( 2.203 -6.433 -0.385) 6.811 2.640 ( 5.418 5.841 0.464) 7.980 2.785 ( 2.268 -3.971 -0.093) 4.574 2.874 ( 2.273 2.612 -0.483) 3.496 4.290 ( 8.705 -1.698 0.802) 8.905 4.460 ( 5.610 4.229 -1.170) 7.123 7.902 ( 13.098 -12.623 0.009) 18.191 8.472 ( -26.522 12.081 -0.222) 29.144 9.009 ( -13.633 -9.420 -1.222) 16.616 9.125 ( -15.041 -11.182 0.364) 18.745 12.451 ( 6.875 -1.845 4.945) 8.667 13.239 ( 3.344 5.490 0.345) 6.438 ======================= Grid point 243 (107/371) ======================= q-point: (-0.46 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.825 ( -1.288 7.734 -2.060) 8.107 1.886 ( -4.770 6.926 3.177) 8.990 2.131 ( 1.241 3.335 0.570) 3.604 2.354 ( 0.644 -4.495 -1.874) 4.912 2.660 ( 5.276 3.427 1.839) 6.554 2.799 ( -2.182 2.409 0.176) 3.255 2.874 ( 2.652 1.078 -1.079) 3.060 4.405 ( 4.418 -0.944 0.571) 4.554 4.426 ( 3.107 8.357 -1.582) 9.055 7.967 ( -14.184 13.685 -0.865) 19.728 8.370 ( 12.177 -23.719 0.641) 26.670 8.949 ( -14.315 -12.849 0.469) 19.241 9.195 ( -5.870 -16.950 -0.630) 17.949 12.590 ( 2.974 -3.321 6.469) 7.856 13.140 ( 0.475 10.319 -5.498) 11.702 ======================= Grid point 244 (108/371) ======================= q-point: (-0.38 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( -1.069 11.021 1.740) 11.209 1.787 ( -0.942 5.521 3.860) 6.802 2.088 ( 0.251 4.445 -0.969) 4.556 2.393 ( -0.358 -3.150 -3.017) 4.377 2.690 ( -1.405 0.938 2.279) 2.837 2.722 ( 1.330 4.721 0.705) 4.955 2.863 ( 0.607 2.959 -1.534) 3.388 4.298 ( 0.642 12.186 -2.126) 12.387 4.441 ( 0.270 0.431 -0.378) 0.633 7.672 ( -0.157 12.016 -0.944) 12.054 8.921 ( 4.887 -33.850 1.200) 34.222 9.008 ( -3.036 -15.324 1.175) 15.666 9.379 ( -0.800 -16.657 -1.158) 16.716 12.677 ( -1.272 -0.656 2.957) 3.286 12.923 ( -1.642 11.506 -7.891) 14.048 ======================= Grid point 245 (109/371) ======================= q-point: (-0.31 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.544 ( 0.010 8.911 4.178) 9.842 1.721 ( 0.918 7.679 2.086) 8.010 2.004 ( -0.885 6.560 -0.338) 6.628 2.385 ( -2.860 -1.178 -3.419) 4.610 2.605 ( -4.252 4.237 1.389) 6.161 2.716 ( -2.057 1.713 1.623) 3.131 2.810 ( 1.435 3.225 -2.220) 4.170 4.099 ( 0.020 14.834 -1.451) 14.905 4.399 ( -2.982 1.774 -1.641) 3.838 7.654 ( 18.130 7.369 -0.137) 19.571 9.183 ( -8.376 -26.266 1.781) 27.627 9.528 ( 12.035 -29.739 0.964) 32.097 9.601 ( 2.235 -14.624 -0.644) 14.808 12.469 ( -7.230 15.042 -12.101) 20.615 12.816 ( -2.482 0.798 1.372) 2.946 ======================= Grid point 246 (110/371) ======================= q-point: (-0.23 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.475 ( 3.303 7.957 2.594) 8.997 1.612 ( -2.597 7.229 -1.022) 7.749 1.885 ( -0.256 9.307 0.625) 9.331 2.297 ( -5.844 2.307 -2.934) 6.934 2.460 ( -5.201 8.664 0.134) 10.106 2.618 ( -10.994 -0.338 -0.826) 11.031 2.795 ( 2.658 2.334 -2.285) 4.211 3.919 ( 3.472 13.888 3.075) 14.642 4.304 ( -3.833 2.647 -2.649) 5.359 7.968 ( 34.468 1.043 1.901) 34.536 9.490 ( -3.340 -27.866 1.486) 28.105 9.827 ( 3.813 -12.129 0.912) 12.747 10.070 ( 6.326 -29.514 0.532) 30.189 12.033 ( -9.428 19.176 -13.825) 25.450 12.730 ( -7.903 2.774 -1.061) 8.442 ======================= Grid point 247 (111/371) ======================= q-point: (-0.15 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.403 ( -2.075 4.671 -10.102) 11.322 1.476 ( 2.233 8.794 4.176) 9.988 1.766 ( 1.393 9.373 0.213) 9.478 2.139 ( -6.545 5.815 -2.171) 9.020 2.248 ( -6.124 9.196 0.163) 11.050 2.400 ( -15.607 1.675 -6.211) 16.881 2.781 ( 1.563 2.048 -1.789) 3.136 3.874 ( 6.422 8.734 9.325) 14.300 4.210 ( -1.324 2.893 -2.646) 4.139 8.553 ( 42.878 -4.440 3.622) 43.259 9.824 ( -1.195 -21.175 1.762) 21.281 10.056 ( 3.952 -12.298 2.051) 13.079 10.513 ( 0.637 -28.723 -0.558) 28.735 11.538 ( -10.206 21.444 -10.984) 26.166 12.499 ( -14.161 5.878 -5.163) 16.178 ======================= Grid point 248 (112/371) ======================= q-point: (-0.08 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( -3.714 -1.406 -11.710) 12.365 1.463 ( 9.329 8.387 0.829) 12.572 1.646 ( -1.386 8.353 -2.424) 8.807 1.966 ( -3.135 4.484 -2.325) 5.945 2.089 ( -4.864 4.538 0.746) 6.694 2.124 ( -9.312 4.289 -6.178) 11.970 2.763 ( 0.986 1.575 -1.461) 2.364 3.920 ( 2.020 3.427 10.080) 10.836 4.171 ( 4.225 4.065 -0.622) 5.896 9.240 ( 40.654 -6.555 3.117) 41.296 9.998 ( -1.297 -2.055 3.762) 4.479 10.239 ( -3.402 -9.220 -0.343) 9.834 10.896 ( -1.690 -29.572 -1.324) 29.649 11.093 ( -5.966 15.613 -4.827) 17.397 12.139 ( -18.704 6.248 -8.343) 21.412 ======================= Grid point 255 (113/371) ======================= q-point: ( 0.46 0.46 -0.88) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.896 ( -2.491 -0.000 -0.178) 2.498 2.081 ( -5.625 -0.000 3.247) 6.495 2.192 ( 0.582 0.000 0.436) 0.727 2.216 ( 2.690 0.000 -4.355) 5.119 2.750 ( 2.002 0.000 0.114) 2.005 2.792 ( 4.287 0.000 0.586) 4.327 2.895 ( -0.521 -0.000 -0.286) 0.595 4.386 ( 5.098 0.000 1.870) 5.430 4.544 ( 3.401 0.000 -1.629) 3.771 8.002 ( 12.490 0.000 1.212) 12.549 8.268 ( -16.075 -0.000 -1.124) 16.114 8.817 ( -14.644 -0.000 1.000) 14.678 8.820 ( -4.414 -0.000 -1.256) 4.589 12.539 ( 2.266 0.000 8.596) 8.890 13.286 ( 0.229 0.000 -5.456) 5.461 ======================= Grid point 256 (114/371) ======================= q-point: (-0.46 0.46 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.888 ( -0.714 1.839 4.715) 5.111 1.957 ( -1.340 8.508 -1.390) 8.724 2.169 ( -0.002 1.752 -0.904) 1.972 2.268 ( -0.424 -5.625 -3.508) 6.643 2.749 ( -0.069 2.235 0.887) 2.406 2.810 ( -0.297 1.580 -0.119) 1.612 2.900 ( 1.047 0.101 0.251) 1.081 4.438 ( 0.085 -0.259 2.079) 2.097 4.532 ( 0.894 4.494 -1.903) 4.962 8.043 ( -0.008 11.970 -1.953) 12.128 8.220 ( 0.065 -14.098 2.080) 14.251 8.724 ( 0.756 -4.403 1.519) 4.719 8.916 ( -0.234 -14.990 -1.464) 15.063 12.621 ( -0.456 -1.590 10.392) 10.523 13.180 ( -3.168 5.282 -10.488) 12.163 ======================= Grid point 257 (115/371) ======================= q-point: (-0.38 0.46 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.771 ( -3.769 6.891 -0.607) 7.878 1.906 ( 2.097 6.423 2.205) 7.107 2.143 ( 1.592 3.296 0.952) 3.782 2.307 ( -1.176 -4.690 -3.249) 5.825 2.680 ( -4.728 3.132 1.523) 5.872 2.804 ( 1.958 1.523 0.097) 2.483 2.876 ( -2.317 2.169 -1.092) 3.356 4.419 ( -4.266 0.193 1.099) 4.409 4.427 ( -1.078 8.510 -1.514) 8.711 7.955 ( 15.960 13.575 -1.571) 21.011 8.400 ( -12.870 -24.920 2.003) 28.119 8.986 ( 16.145 -12.167 1.944) 20.309 9.161 ( 4.757 -16.642 -1.937) 17.416 12.675 ( -3.401 0.313 8.519) 9.178 12.948 ( -5.343 8.168 -12.011) 15.477 ======================= Grid point 258 (116/371) ======================= q-point: (-0.31 0.46 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( 0.358 5.294 -1.063) 5.412 1.808 ( -3.177 6.696 -0.088) 7.412 2.114 ( 1.541 6.568 1.813) 6.986 2.313 ( -2.180 -0.810 -1.705) 2.884 2.576 ( -6.749 1.919 1.629) 7.203 2.730 ( -5.134 6.839 -1.783) 8.736 2.833 ( 0.516 -0.113 -1.177) 1.290 4.267 ( -1.286 10.834 0.592) 10.926 4.343 ( -6.008 0.451 -0.637) 6.059 8.114 ( 30.833 9.232 0.150) 32.186 8.625 ( -11.255 -31.586 0.827) 33.541 9.433 ( 15.100 -17.116 1.743) 22.892 9.458 ( 8.635 -14.839 -1.483) 17.232 12.504 ( -7.175 13.854 -8.134) 17.595 12.774 ( -6.830 1.163 1.770) 7.151 ======================= Grid point 259 (117/371) ======================= q-point: (-0.23 0.46 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( -0.422 6.383 -9.235) 11.234 1.696 ( 0.097 5.823 6.629) 8.824 2.017 ( -1.181 8.281 -0.463) 8.377 2.241 ( -4.713 2.821 -0.400) 5.507 2.427 ( -12.351 2.119 -1.719) 12.649 2.519 ( -6.887 9.162 -1.717) 11.590 2.829 ( 0.335 0.964 -0.666) 1.218 4.123 ( -1.986 8.699 3.446) 9.565 4.261 ( -2.178 1.100 -1.271) 2.752 8.534 ( 40.178 3.016 2.087) 40.345 8.974 ( -5.389 -35.673 -0.208) 36.079 9.750 ( 8.982 -11.796 0.033) 14.826 9.873 ( 10.571 -18.163 0.556) 21.022 12.115 ( -6.827 19.388 -9.642) 22.704 12.628 ( -12.996 3.464 1.389) 13.521 ======================= Grid point 260 (118/371) ======================= q-point: (-0.15 0.46 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( -2.182 8.502 -12.249) 15.069 1.703 ( 5.634 6.796 4.847) 10.071 1.858 ( -4.564 7.544 -2.015) 9.045 2.113 ( -6.531 4.714 0.034) 8.055 2.191 ( -11.898 2.819 -2.970) 12.583 2.285 ( -6.952 9.180 -0.406) 11.522 2.809 ( -0.249 1.583 -0.031) 1.603 4.009 ( -4.906 3.625 2.572) 6.620 4.255 ( 3.686 1.765 1.301) 4.289 9.100 ( 36.451 -4.398 1.825) 36.761 9.441 ( 4.322 -32.039 1.053) 32.346 10.024 ( 10.638 -8.226 0.865) 13.476 10.215 ( 3.260 -17.934 -0.678) 18.241 11.689 ( -5.591 23.198 -5.397) 24.465 12.326 ( -19.561 6.815 -3.228) 20.964 ======================= Grid point 261 (119/371) ======================= q-point: (-0.08 0.46 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( 2.654 5.102 -12.134) 13.428 1.625 ( -4.836 4.148 -5.573) 8.464 1.748 ( 5.345 9.893 5.349) 12.452 1.953 ( -4.972 4.824 -1.196) 7.030 2.030 ( -5.175 1.965 -0.175) 5.538 2.118 ( -3.500 4.118 0.449) 5.423 2.783 ( -0.267 1.543 -0.049) 1.567 3.927 ( -5.310 -0.326 1.220) 5.458 4.301 ( 3.765 1.688 2.358) 4.752 9.595 ( 16.714 -10.862 0.787) 19.949 9.918 ( 11.637 -15.700 1.490) 19.599 10.254 ( 14.605 2.982 -0.280) 14.909 10.493 ( -1.254 -24.582 -0.278) 24.615 11.289 ( -2.573 22.572 1.008) 22.740 11.896 ( -22.194 6.931 -7.676) 24.485 ======================= Grid point 269 (120/371) ======================= q-point: (-0.46 -0.46 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.866 ( -5.778 -0.000 0.360) 5.789 2.084 ( 6.939 0.000 2.412) 7.346 2.146 ( -2.433 -0.000 -7.078) 7.485 2.195 ( 0.504 0.000 1.163) 1.268 2.756 ( -1.903 -0.000 0.345) 1.934 2.788 ( -3.337 -0.000 0.235) 3.346 2.917 ( -0.030 -0.000 -0.063) 0.069 4.418 ( -4.997 -0.000 3.011) 5.834 4.550 ( -1.197 -0.000 -1.483) 1.906 8.032 ( -12.070 -0.000 2.394) 12.305 8.235 ( 15.400 0.000 -2.411) 15.587 8.819 ( 5.755 0.000 -1.360) 5.914 8.840 ( 14.915 0.000 1.907) 15.037 12.664 ( -2.459 -0.000 13.336) 13.561 13.076 ( -6.019 -0.000 -13.804) 15.059 ======================= Grid point 270 (121/371) ======================= q-point: (-0.38 -0.46 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.769 ( -3.285 2.486 -3.897) 5.671 1.987 ( -3.137 6.482 -3.737) 8.113 2.181 ( -2.456 -3.662 -2.383) 5.012 2.277 ( 7.293 0.458 4.389) 8.524 2.667 ( -5.607 4.267 1.165) 7.142 2.780 ( -2.946 -3.408 -0.298) 4.515 2.875 ( -2.162 2.976 -1.623) 4.021 4.340 ( -8.830 -0.115 2.671) 9.226 4.488 ( -2.352 4.374 0.064) 4.967 7.960 ( -13.302 -13.773 2.253) 19.280 8.427 ( 27.692 11.389 -2.021) 30.010 9.034 ( 11.847 -12.836 -1.043) 17.498 9.129 ( 17.614 -6.235 1.393) 18.737 12.696 ( -4.943 1.177 13.280) 14.218 12.865 ( -7.326 4.145 -13.464) 15.878 ======================= Grid point 271 (122/371) ======================= q-point: (-0.31 -0.46 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.680 ( -0.715 1.794 -6.964) 7.227 1.834 ( -4.447 5.081 -1.181) 6.855 2.151 ( -3.366 0.503 -1.988) 3.942 2.340 ( 1.791 3.649 2.608) 4.829 2.517 ( -8.358 4.667 1.017) 9.627 2.722 ( -5.084 3.808 -3.180) 7.103 2.823 ( -0.541 -0.330 0.433) 0.767 4.219 ( -10.509 -0.359 0.655) 10.535 4.387 ( -1.659 6.535 2.920) 7.347 8.084 ( -9.569 -25.795 0.840) 27.525 8.708 ( 35.441 9.075 -0.026) 36.585 9.402 ( 14.988 -13.232 -1.569) 20.054 9.487 ( 16.401 -9.933 1.168) 19.210 12.549 ( -5.134 11.489 -8.698) 15.297 12.694 ( -11.141 1.487 8.822) 14.289 ======================= Grid point 272 (123/371) ======================= q-point: (-0.23 -0.46 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( -2.484 3.848 -13.050) 13.830 1.759 ( -2.653 -0.143 4.697) 5.397 2.043 ( -5.469 4.671 -1.655) 7.380 2.263 ( -4.466 6.049 1.771) 7.724 2.335 ( -5.935 6.916 0.205) 9.116 2.542 ( -6.130 8.636 -2.230) 10.823 2.827 ( -0.997 -0.614 0.975) 1.523 4.073 ( -10.269 0.112 -1.826) 10.430 4.322 ( -0.142 4.174 4.557) 6.181 8.407 ( -3.483 -34.205 -1.462) 34.413 9.141 ( 36.458 2.255 2.498) 36.613 9.769 ( 16.778 -9.773 -1.072) 19.446 9.839 ( 12.947 -10.707 0.208) 16.802 12.247 ( -3.075 16.146 -8.001) 18.280 12.502 ( -17.737 6.139 7.978) 20.394 ======================= Grid point 273 (124/371) ======================= q-point: (-0.15 -0.46 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( -1.687 5.127 -14.795) 15.748 1.733 ( -7.385 2.248 2.466) 8.104 1.910 ( -3.184 2.086 2.499) 4.553 2.108 ( -5.903 6.755 2.755) 9.385 2.180 ( -0.953 9.102 0.322) 9.157 2.308 ( -6.879 9.536 -0.797) 11.785 2.821 ( -0.855 0.695 1.385) 1.769 3.926 ( -8.675 -0.382 -3.241) 9.269 4.313 ( -0.739 0.469 3.108) 3.228 8.890 ( 3.570 -36.859 -2.853) 37.142 9.612 ( 24.674 -4.714 2.863) 25.283 10.072 ( 6.371 -9.276 -1.829) 11.400 10.189 ( 24.996 -5.295 1.660) 25.605 11.932 ( -1.026 20.275 -3.895) 20.671 12.133 ( -23.635 10.746 3.417) 26.187 ======================= Grid point 274 (125/371) ======================= q-point: (-0.08 -0.46 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.259 ( 5.506 4.153 -10.138) 12.261 1.568 ( -6.390 3.736 0.105) 7.402 1.852 ( -8.169 3.641 3.527) 9.614 1.968 ( -4.344 1.267 -1.821) 4.878 2.101 ( 2.927 6.296 3.017) 7.570 2.134 ( -0.003 8.030 4.297) 9.108 2.802 ( -0.511 1.562 0.852) 1.851 3.815 ( -6.890 -2.390 -4.117) 8.375 4.313 ( -2.903 -1.946 1.186) 3.691 9.423 ( 7.784 -27.974 -2.496) 29.144 9.952 ( 10.432 -8.525 0.376) 13.478 10.198 ( -4.102 -10.621 -2.466) 11.650 10.638 ( 29.351 1.609 3.887) 29.650 11.624 ( -8.606 24.824 7.725) 27.386 11.653 ( -12.471 7.838 -8.393) 16.953 ======================= Grid point 283 (126/371) ======================= q-point: (-0.38 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( -2.655 -0.000 -7.790) 8.231 1.932 ( -6.370 -0.000 -7.205) 9.617 2.111 ( -1.587 -0.000 -0.176) 1.596 2.397 ( 3.554 0.000 4.125) 5.445 2.655 ( -5.697 -0.000 0.008) 5.697 2.666 ( -4.385 -0.000 -0.299) 4.395 2.861 ( -1.546 -0.000 -1.416) 2.097 4.210 ( -12.472 -0.000 3.391) 12.925 4.488 ( -2.865 -0.000 2.350) 3.706 7.707 ( -11.036 -0.000 1.836) 11.188 8.952 ( 35.494 0.000 -2.173) 35.561 9.102 ( 15.331 0.000 -1.377) 15.393 9.347 ( 17.886 0.000 1.534) 17.952 12.710 ( -7.369 -0.000 -12.868) 14.829 12.716 ( -7.554 -0.000 16.650) 18.284 ======================= Grid point 284 (127/371) ======================= q-point: (-0.31 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( -5.356 0.221 -11.183) 12.402 1.787 ( -6.760 0.933 -4.463) 8.154 2.086 ( -3.279 -0.378 -1.624) 3.679 2.399 ( -3.159 3.073 3.506) 5.632 2.523 ( -3.129 6.377 0.629) 7.131 2.662 ( -2.057 -2.056 -2.157) 3.621 2.819 ( -1.903 1.556 0.352) 2.483 4.048 ( -14.298 -0.953 2.330) 14.518 4.444 ( -2.950 3.183 4.135) 5.994 7.692 ( -6.767 -14.877 0.550) 16.353 9.263 ( 26.362 5.798 -1.516) 27.034 9.521 ( 28.625 -7.951 -1.765) 29.761 9.621 ( 16.507 -4.391 0.797) 17.099 12.511 ( -8.688 3.632 -8.025) 12.372 12.669 ( -9.157 4.688 14.638) 17.892 ======================= Grid point 285 (128/371) ======================= q-point: (-0.23 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( -8.313 -0.404 -12.566) 15.072 1.700 ( -5.651 -2.929 0.369) 6.376 1.991 ( -6.618 2.498 -2.786) 7.603 2.305 ( -3.817 6.370 4.360) 8.612 2.395 ( -3.734 6.572 0.559) 7.579 2.585 ( -1.201 8.069 -2.601) 8.562 2.803 ( -1.634 -1.498 2.723) 3.511 3.882 ( -13.684 -2.448 -0.852) 13.928 4.375 ( -3.778 3.639 3.836) 6.499 7.938 ( -0.611 -28.432 -0.970) 28.455 9.548 ( 20.942 -0.629 -2.861) 21.146 9.875 ( 12.632 -5.299 -0.364) 13.703 10.040 ( 32.532 -4.719 0.286) 32.874 12.261 ( -14.176 6.315 -2.401) 15.703 12.510 ( -6.946 12.615 9.676) 17.350 ======================= Grid point 286 (129/371) ======================= q-point: (-0.15 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( -3.745 -1.660 -9.061) 9.944 1.692 ( -5.095 -2.217 3.199) 6.412 1.822 ( -9.303 2.034 -2.008) 9.732 2.161 ( -6.109 8.848 2.960) 11.153 2.244 ( -5.753 5.637 -0.499) 8.070 2.437 ( 1.788 11.347 3.239) 11.935 2.821 ( -0.908 -0.596 2.524) 2.747 3.735 ( -11.313 -3.791 -4.827) 12.871 4.292 ( -5.423 1.449 1.822) 5.901 8.432 ( 6.698 -37.732 -1.321) 38.345 9.789 ( 13.039 -3.027 -4.214) 14.034 10.061 ( 6.388 -3.225 -2.570) 7.603 10.570 ( 33.565 -4.383 2.959) 33.979 11.897 ( -22.142 9.327 0.326) 24.029 12.275 ( -0.916 19.920 5.610) 20.715 ======================= Grid point 287 (130/371) ======================= q-point: (-0.08 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( 5.261 -4.321 -2.759) 7.346 1.566 ( -5.828 7.467 0.578) 9.490 1.741 ( -9.177 -5.255 2.395) 10.843 1.942 ( -6.312 8.471 -2.348) 10.822 2.096 ( -5.421 3.334 -0.711) 6.404 2.405 ( 5.178 7.216 11.197) 14.292 2.820 ( -0.313 1.073 1.323) 1.732 3.616 ( -9.592 -5.262 -7.884) 13.486 4.218 ( -6.013 -1.609 0.362) 6.235 9.099 ( 12.559 -38.388 -0.217) 40.391 9.918 ( -0.091 -3.794 -3.483) 5.151 10.088 ( 0.347 1.210 -6.052) 6.181 11.064 ( 25.425 0.137 6.005) 26.125 11.465 ( -16.462 8.400 -2.212) 18.613 12.019 ( 2.926 22.578 4.360) 23.180 ======================= Grid point 297 (131/371) ======================= q-point: (-0.31 -0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.421 ( -9.177 -0.000 -11.858) 14.994 1.642 ( -9.047 -0.000 -5.211) 10.441 2.023 ( -4.822 -0.000 -2.086) 5.253 2.401 ( -3.300 -0.000 4.322) 5.438 2.518 ( -5.515 -0.000 -1.675) 5.764 2.641 ( 2.365 0.000 0.915) 2.536 2.810 ( -0.957 -0.000 -0.406) 1.040 3.838 ( -17.177 -0.000 3.041) 17.444 4.441 ( -4.340 -0.000 3.932) 5.856 7.516 ( -3.330 -0.000 -0.448) 3.360 9.546 ( 18.193 0.000 -5.000) 18.868 9.797 ( 14.362 0.000 0.418) 14.368 9.968 ( 36.852 0.000 -0.628) 36.857 12.348 ( -15.524 -0.000 1.277) 15.576 12.692 ( -3.937 -0.000 9.276) 10.077 ======================= Grid point 298 (132/371) ======================= q-point: (-0.23 -0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( -7.752 -0.503 -7.963) 11.124 1.523 ( -9.176 -5.462 -3.032) 11.101 1.918 ( -6.674 2.152 -1.563) 7.185 2.338 ( -6.428 3.786 3.867) 8.403 2.397 ( -6.064 3.894 -0.829) 7.254 2.656 ( 0.250 2.325 -2.112) 3.151 2.804 ( 1.188 1.157 2.665) 3.139 3.629 ( -17.414 -2.874 1.052) 17.680 4.372 ( -5.576 2.811 2.391) 6.686 7.615 ( 1.402 -17.705 -1.503) 17.824 9.751 ( 16.523 -0.286 -7.707) 18.235 9.989 ( 11.173 -1.705 -0.486) 11.312 10.470 ( 33.871 -2.181 0.524) 33.945 12.093 ( -20.859 4.051 5.450) 21.937 12.660 ( -0.069 7.413 5.352) 9.143 ======================= Grid point 299 (133/371) ======================= q-point: (-0.15 -0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( -2.442 -3.808 -1.625) 4.807 1.498 ( -9.175 -10.064 -1.171) 13.669 1.769 ( -6.511 5.296 0.073) 8.393 2.179 ( -8.359 5.900 1.799) 10.389 2.235 ( -7.230 6.380 -0.204) 9.645 2.563 ( -4.563 4.005 0.731) 6.115 2.838 ( 1.968 0.917 4.209) 4.736 3.458 ( -15.223 -5.795 -4.055) 16.786 4.257 ( -5.056 3.774 0.702) 6.348 8.027 ( 7.691 -34.218 -1.365) 35.098 9.899 ( 11.938 0.593 -8.619) 14.737 10.112 ( 5.697 0.596 -2.705) 6.334 10.963 ( 29.895 -4.581 1.893) 30.303 11.738 ( -21.276 9.026 4.888) 23.622 12.546 ( 1.064 14.092 3.235) 14.498 ======================= Grid point 300 (134/371) ======================= q-point: (-0.08 -0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( -0.261 -8.347 2.518) 8.722 1.501 ( -10.723 -10.178 -0.138) 14.785 1.612 ( -3.013 7.326 -0.158) 7.923 1.984 ( -4.569 9.249 -0.616) 10.335 2.049 ( -7.294 3.410 -1.162) 8.136 2.489 ( -7.988 -3.142 7.181) 11.192 2.873 ( 2.711 2.396 4.220) 5.559 3.312 ( -13.924 -7.652 -8.159) 17.861 4.162 ( -1.983 2.685 -0.120) 3.340 8.703 ( 11.184 -42.802 -0.516) 44.242 9.888 ( -3.429 8.722 -6.277) 11.280 10.105 ( 3.957 1.787 -6.394) 7.729 11.369 ( -4.108 8.899 8.399) 12.907 11.437 ( 16.956 -3.537 -2.495) 17.500 12.346 ( 0.501 17.941 1.558) 18.015 ======================= Grid point 311 (135/371) ======================= q-point: (-0.23 -0.23 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( -4.415 -0.000 -2.819) 5.239 1.315 ( -11.214 -0.000 -2.905) 11.584 1.844 ( -5.919 -0.000 0.366) 5.931 2.280 ( -9.682 -0.000 5.047) 10.918 2.317 ( -7.625 -0.000 -1.981) 7.878 2.610 ( -6.357 -0.000 -4.582) 7.836 2.874 ( 4.130 0.000 1.656) 4.449 3.357 ( -19.798 -0.000 2.057) 19.905 4.333 ( -4.309 -0.000 1.132) 4.455 7.503 ( 3.182 0.000 -2.272) 3.910 9.912 ( 15.185 0.000 -11.143) 18.835 10.120 ( 9.400 0.000 -0.310) 9.405 10.892 ( 29.453 0.000 0.624) 29.460 11.872 ( -20.942 -0.000 7.351) 22.194 12.745 ( 0.970 0.000 2.311) 2.507 ======================= Grid point 312 (136/371) ======================= q-point: (-0.15 -0.23 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( -4.747 -2.867 1.978) 5.888 1.207 ( -11.465 -8.814 -2.274) 14.639 1.757 ( -4.526 2.880 1.007) 5.458 2.141 ( -8.702 3.946 2.504) 9.878 2.191 ( -8.593 2.113 1.857) 9.041 2.422 ( -15.052 -0.297 -6.409) 16.363 2.922 ( 1.863 1.359 4.160) 4.757 3.130 ( -18.367 -4.811 -1.461) 19.043 4.277 ( -0.124 3.750 0.176) 3.756 7.711 ( 6.548 -23.101 -2.011) 24.095 10.026 ( 12.899 1.548 -11.546) 17.381 10.204 ( 5.073 3.765 -0.848) 6.374 11.290 ( 24.704 -3.174 0.933) 24.924 11.618 ( -15.547 5.314 5.891) 17.454 12.702 ( -1.404 6.924 -0.332) 7.072 ======================= Grid point 313 (137/371) ======================= q-point: (-0.08 -0.23 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.089 ( -8.209 -8.758 4.396) 12.783 1.183 ( -12.036 -11.910 -1.292) 16.982 1.661 ( -1.806 4.256 -0.247) 4.630 1.972 ( -9.299 3.167 -1.263) 9.904 2.057 ( -1.285 7.032 0.035) 7.148 2.210 ( -21.112 -10.006 1.290) 23.398 2.933 ( -10.181 -4.266 5.912) 12.523 2.976 ( -5.432 -2.795 -5.786) 8.414 4.241 ( 4.398 5.592 -0.449) 7.128 8.250 ( 7.143 -38.572 -2.305) 39.296 9.993 ( 1.011 14.967 -8.862) 17.423 10.178 ( 6.233 3.090 -1.768) 7.178 11.422 ( -3.709 6.158 3.909) 8.183 11.664 ( 19.455 -5.066 1.862) 20.190 12.520 ( -4.636 11.470 -2.193) 12.564 ======================= Grid point 325 (138/371) ======================= q-point: (-0.15 -0.15 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.947 ( -13.992 -0.000 -1.213) 14.045 0.975 ( -9.761 -0.000 3.372) 10.327 1.722 ( -3.984 -0.000 -0.204) 3.989 2.042 ( -23.840 -0.000 3.887) 24.155 2.053 ( -10.332 -0.000 -0.246) 10.335 2.182 ( -5.222 -0.000 -5.110) 7.306 2.829 ( -19.180 -0.000 0.582) 19.188 2.960 ( -0.193 -0.000 1.303) 1.318 4.340 ( 4.847 0.000 -0.295) 4.856 7.610 ( 5.759 0.000 -1.424) 5.933 10.151 ( 13.255 0.000 -9.654) 16.398 10.315 ( 5.301 0.000 -0.349) 5.313 11.522 ( -7.810 -0.000 4.061) 8.803 11.576 ( 19.664 0.000 0.665) 19.675 12.684 ( -6.335 -0.000 -3.220) 7.107 ======================= Grid point 326 (139/371) ======================= q-point: (-0.08 -0.15 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( -14.827 -9.642 1.247) 17.730 0.878 ( -14.214 -7.129 3.946) 16.384 1.643 ( -13.013 -4.227 -2.991) 14.005 1.724 ( -19.175 -4.055 1.599) 19.664 1.882 ( -10.825 3.285 0.395) 11.319 2.135 ( 0.631 3.574 1.352) 3.873 2.622 ( -16.134 -5.661 -0.191) 17.099 2.957 ( -1.114 -1.112 -0.509) 1.654 4.391 ( 7.009 4.144 -0.997) 8.203 7.872 ( 5.322 -24.983 -1.419) 25.583 10.179 ( 5.502 14.528 -15.167) 21.712 10.344 ( 8.780 3.033 4.138) 10.170 11.489 ( 1.911 1.566 6.313) 6.779 11.844 ( 14.801 -3.861 0.597) 15.308 12.510 ( -10.396 5.007 -1.833) 11.684 ======================= Grid point 339 (140/371) ======================= q-point: (-0.08 -0.08 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.524 ( -16.876 -0.000 3.495) 17.234 0.625 ( -18.893 -0.000 6.452) 19.964 1.142 ( -36.102 -0.000 4.659) 36.402 1.678 ( -0.587 -0.000 0.826) 1.013 1.782 ( -9.025 -0.000 1.689) 9.182 2.176 ( 0.761 0.000 -0.050) 0.763 2.373 ( -12.789 -0.000 -0.717) 12.809 2.925 ( -0.104 -0.000 -0.124) 0.162 4.505 ( 6.183 0.000 -2.017) 6.504 7.759 ( 4.334 0.000 2.118) 4.824 10.208 ( -7.782 -0.000 -52.819) 53.389 10.412 ( 2.218 0.000 -0.247) 2.231 11.723 ( 21.065 0.000 30.124) 36.758 11.984 ( 9.841 0.000 -0.274) 9.845 12.436 ( -7.091 -0.000 19.378) 20.635 ======================= Grid point 340 (141/371) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 371 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.525 ( -3.612 -0.000 14.844) 15.277 0.642 ( 1.055 0.000 12.473) 12.517 1.221 ( -1.617 -0.000 29.105) 29.150 1.709 ( -0.617 -0.000 2.507) 2.582 1.809 ( 2.239 0.000 3.480) 4.138 2.092 ( -0.334 -0.000 -2.910) 2.929 2.135 ( -0.271 -0.000 -2.095) 2.113 3.210 ( 0.395 0.000 -8.965) 8.974 4.552 ( -0.945 -0.000 -2.445) 2.621 7.935 ( 6.984 0.000 8.426) 10.944 8.026 ( 0.181 0.000 8.425) 8.427 10.432 ( 0.177 0.000 -0.391) 0.429 12.073 ( -0.223 -0.000 -1.897) 1.910 12.173 ( 0.313 0.000 -1.685) 1.714 14.202 ( -0.146 -0.000 4.507) 4.510 ======================= Grid point 341 (142/371) ======================= q-point: ( 0.08 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.652 ( 3.834 -4.157 13.415) 14.558 0.789 ( 3.832 -4.481 10.761) 12.270 1.432 ( 3.876 -3.384 16.628) 17.406 1.782 ( 2.232 -3.335 1.547) 4.301 1.931 ( 7.104 -4.829 3.984) 9.468 2.083 ( -0.316 0.358 -1.224) 1.314 2.278 ( 11.834 -12.280 1.698) 17.138 2.937 ( -12.236 12.503 -5.628) 18.378 4.404 ( -5.062 6.670 -4.280) 9.403 8.200 ( 7.942 -7.061 6.601) 12.510 8.629 ( 32.076 -35.052 -3.766) 47.662 10.423 ( -0.133 0.647 0.054) 0.662 12.016 ( -4.118 1.762 -1.840) 4.842 12.138 ( -2.959 1.722 -2.197) 4.068 13.728 ( -28.530 34.048 12.884) 46.251 ======================= Grid point 342 (143/371) ======================= q-point: ( 0.15 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.864 ( 6.877 -4.808 9.381) 12.587 0.990 ( 4.905 -7.403 8.231) 12.108 1.549 ( 0.790 -2.398 -2.353) 3.451 1.860 ( 3.938 -1.349 0.469) 4.189 2.052 ( 0.391 1.300 4.636) 4.831 2.125 ( 1.607 -0.937 5.225) 5.546 2.518 ( -2.385 4.012 -7.435) 8.778 2.848 ( 16.711 -16.163 4.622) 23.703 4.247 ( -2.587 4.105 -4.911) 6.904 8.454 ( 9.093 -10.061 0.777) 13.583 9.358 ( 17.151 -21.741 -5.966) 28.327 10.448 ( 2.884 -2.076 1.654) 3.919 11.896 ( -6.855 4.681 -0.357) 8.308 11.981 ( -11.546 7.203 -0.006) 13.609 12.913 ( -25.033 33.971 7.960) 42.943 ======================= Grid point 343 (144/371) ======================= q-point: ( 0.23 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( 8.430 -3.508 5.699) 10.763 1.197 ( 3.108 -7.777 4.036) 9.297 1.518 ( -1.030 -0.232 -9.684) 9.741 1.927 ( 3.622 3.784 1.663) 5.496 1.969 ( -8.498 7.799 -1.797) 11.673 2.074 ( 1.054 0.850 2.822) 3.130 2.532 ( 6.535 -5.207 -5.181) 9.832 3.406 ( 18.707 -18.449 6.962) 27.181 4.157 ( -1.563 2.062 -2.516) 3.609 8.756 ( 14.146 -13.300 -4.548) 19.942 9.656 ( 3.078 -9.329 -1.490) 9.936 10.563 ( 3.599 -3.223 4.207) 6.406 11.504 ( -22.674 21.840 2.333) 31.568 11.755 ( -10.505 2.946 -1.552) 11.020 12.328 ( -8.542 20.367 -2.891) 22.274 ======================= Grid point 344 (145/371) ======================= q-point: ( 0.31 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( 6.550 4.275 -3.468) 8.556 1.292 ( 4.070 -2.458 1.249) 4.916 1.458 ( -0.925 -0.756 -2.144) 2.454 1.730 ( -2.044 1.622 -7.405) 7.851 1.999 ( 3.221 -0.091 1.555) 3.578 2.094 ( 1.251 1.122 2.119) 2.704 2.651 ( 3.830 -3.848 -2.383) 5.929 3.892 ( 12.852 -14.005 5.433) 19.770 4.100 ( -1.738 1.631 -1.221) 2.678 9.169 ( 18.668 -18.831 -6.008) 27.188 9.778 ( 0.622 -6.199 1.685) 6.454 10.597 ( -8.323 7.102 8.194) 13.669 10.953 ( -10.294 10.681 -7.140) 16.463 11.532 ( -11.736 7.111 0.003) 13.722 11.987 ( -4.321 15.854 -4.400) 17.011 ======================= Grid point 345 (146/371) ======================= q-point: ( 0.38 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( 6.244 13.989 -8.208) 17.380 1.480 ( 4.927 -2.391 -1.147) 5.595 1.523 ( 8.010 -8.781 2.290) 12.104 1.737 ( 1.113 -3.960 -2.118) 4.626 2.035 ( 0.906 0.602 0.995) 1.474 2.101 ( 0.725 1.208 1.099) 1.787 2.713 ( 1.525 -2.111 -1.603) 3.058 4.006 ( -4.364 3.014 0.468) 5.324 4.222 ( 6.832 -8.257 1.238) 10.788 9.689 ( 13.520 -26.554 -3.942) 30.058 9.870 ( 5.147 -0.697 0.369) 5.207 10.221 ( -14.375 13.569 -2.062) 19.875 10.961 ( 7.864 -5.319 2.106) 9.724 11.234 ( -13.433 11.783 1.797) 17.958 11.697 ( -3.830 14.240 -4.673) 15.469 ======================= Grid point 346 (147/371) ======================= q-point: (-0.54 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( 10.596 4.511 -8.780) 14.481 1.554 ( 6.190 0.888 0.647) 6.287 1.716 ( -2.757 -3.352 2.606) 5.062 1.899 ( 12.465 -11.002 1.064) 16.660 2.014 ( -1.364 1.876 0.189) 2.327 2.095 ( -0.194 1.260 0.932) 1.579 2.745 ( 1.107 -1.558 -1.230) 2.273 3.879 ( -6.004 4.782 -0.676) 7.705 4.344 ( 0.073 -2.161 0.262) 2.178 9.816 ( -10.154 1.493 -8.085) 13.065 9.910 ( -0.397 0.833 0.919) 1.302 10.327 ( 17.862 -22.103 0.444) 28.421 10.848 ( -13.157 18.359 0.973) 22.607 11.239 ( 8.143 -11.502 7.957) 16.184 11.452 ( 1.062 12.426 -6.309) 13.976 ======================= Grid point 347 (148/371) ======================= q-point: (-0.46 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( 7.972 -5.229 -8.470) 12.753 1.613 ( 4.202 6.442 3.598) 8.491 1.708 ( -2.441 -4.524 0.619) 5.178 1.917 ( -4.647 4.353 -0.613) 6.396 2.069 ( -1.558 1.471 0.834) 2.300 2.270 ( 13.555 -11.491 0.694) 17.783 2.774 ( 1.205 -1.315 -1.395) 2.265 3.707 ( -7.678 6.397 0.666) 10.016 4.303 ( -4.616 2.780 -0.136) 5.390 9.649 ( -5.215 1.202 -3.064) 6.167 9.904 ( 0.311 -0.953 -3.854) 3.983 10.369 ( -15.632 22.664 -0.489) 27.537 10.872 ( 11.933 -23.762 3.671) 26.842 11.289 ( 0.081 5.254 -1.144) 5.377 11.598 ( 15.968 -8.146 0.546) 17.934 ======================= Grid point 348 (149/371) ======================= q-point: (-0.38 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( 4.682 -9.568 -6.729) 12.600 1.526 ( -5.747 4.503 2.314) 7.658 1.737 ( -4.219 7.262 -3.431) 9.072 1.818 ( 4.494 -0.619 4.391) 6.314 2.022 ( -3.151 1.562 0.890) 3.628 2.524 ( 5.328 -5.184 -6.788) 10.066 2.797 ( 1.721 -1.598 -2.062) 3.126 3.515 ( -8.909 7.872 6.883) 13.737 4.177 ( -4.962 3.766 -0.566) 6.255 9.571 ( -17.956 -8.515 -1.068) 19.902 9.794 ( -2.706 29.712 0.874) 29.847 9.942 ( 3.407 0.822 -6.475) 7.362 11.218 ( 1.871 -3.790 1.941) 4.651 11.392 ( 12.692 -13.714 0.818) 18.704 11.897 ( 11.473 -8.222 -2.791) 14.389 ======================= Grid point 349 (150/371) ======================= q-point: (-0.31 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( -5.809 3.483 1.272) 6.891 1.432 ( 1.114 -6.565 -4.010) 7.774 1.507 ( -6.908 10.163 -0.618) 12.304 1.923 ( 2.280 0.535 2.569) 3.476 1.963 ( -0.070 0.855 0.814) 1.183 2.417 ( -9.112 6.502 -10.949) 15.658 2.838 ( 1.975 -1.612 -6.184) 6.689 3.322 ( -11.363 9.997 12.497) 19.627 4.115 ( 0.933 -1.023 -0.980) 1.696 9.067 ( -31.241 13.659 -6.417) 34.695 9.688 ( 11.361 8.950 3.224) 14.819 10.047 ( 8.594 -5.371 0.269) 10.138 11.307 ( 6.944 -2.023 -1.646) 7.417 11.745 ( 11.343 -9.474 2.690) 15.022 12.099 ( 4.048 -9.586 -5.377) 11.713 ======================= Grid point 350 (151/371) ======================= q-point: (-0.23 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( -10.863 7.204 2.579) 13.288 1.213 ( -8.265 13.958 0.428) 16.227 1.582 ( 4.427 -5.002 -0.919) 6.743 1.868 ( -4.895 1.441 3.791) 6.357 2.038 ( 6.551 1.505 -0.491) 6.740 2.045 ( -17.463 9.990 -5.640) 20.894 2.781 ( -3.031 3.598 -6.707) 8.193 3.069 ( -12.481 10.156 7.177) 17.619 4.207 ( 5.488 -5.201 -1.708) 7.751 8.446 ( -24.795 12.582 -6.653) 28.589 9.743 ( 8.402 6.322 0.064) 10.515 10.315 ( 12.062 -6.895 6.947) 15.533 11.455 ( 12.018 -4.108 -2.616) 12.967 11.975 ( 13.282 1.832 -0.418) 13.415 12.236 ( -5.175 -16.067 0.305) 16.883 ======================= Grid point 351 (152/371) ======================= q-point: (-0.15 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( -13.960 9.048 3.403) 16.980 0.910 ( -8.299 14.336 4.414) 17.143 1.526 ( -14.238 11.295 1.738) 18.258 1.760 ( 0.449 4.366 6.194) 7.591 1.834 ( -3.694 -0.445 5.983) 7.046 2.103 ( 3.236 -0.877 -1.378) 3.625 2.560 ( -11.580 10.594 1.092) 15.733 2.874 ( -2.064 1.223 -5.219) 5.744 4.343 ( 5.178 -5.614 -3.743) 8.505 8.014 ( -16.195 4.239 -2.337) 16.903 9.632 ( -1.933 19.791 -11.278) 22.861 10.480 ( 1.560 2.855 -0.136) 3.256 11.789 ( 18.954 -9.858 2.318) 21.489 12.080 ( 11.423 4.732 -1.149) 12.417 12.527 ( 4.184 -29.150 18.087) 34.560 ======================= Grid point 352 (153/371) ======================= q-point: (-0.08 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.616 ( -13.957 6.466 8.524) 17.586 0.678 ( -6.128 10.045 10.111) 15.514 1.227 ( -12.029 9.282 18.796) 24.170 1.760 ( -0.613 3.033 4.042) 5.090 1.809 ( -2.138 4.311 5.415) 7.244 2.127 ( 1.097 0.328 -2.426) 2.682 2.262 ( -10.147 8.270 -0.195) 13.092 2.993 ( 12.468 -11.571 -3.187) 17.306 4.460 ( 4.524 -6.011 -3.679) 8.374 7.867 ( -8.341 -5.957 4.135) 11.052 8.799 ( -28.157 53.373 -14.708) 62.112 10.432 ( -0.161 0.808 -0.618) 1.030 12.032 ( 5.089 -3.237 -1.660) 6.256 12.156 ( 4.837 1.307 -0.024) 5.011 13.509 ( 33.140 -42.404 22.188) 58.212 ======================= Grid point 354 (154/371) ======================= q-point: ( 0.08 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 371 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.794 ( 9.031 0.000 12.270) 15.236 0.903 ( 7.709 0.000 6.893) 10.341 1.482 ( -2.995 -0.000 4.573) 5.466 1.891 ( 10.206 0.000 3.090) 10.664 2.029 ( 8.902 0.000 4.438) 9.947 2.271 ( 11.668 0.000 -2.473) 11.928 2.298 ( 14.176 0.000 9.109) 16.850 2.785 ( -13.971 -0.000 -5.456) 14.998 4.340 ( -5.872 -0.000 -4.739) 7.545 8.038 ( -6.096 -0.000 6.600) 8.984 9.172 ( 52.339 0.000 -5.515) 52.628 10.411 ( -1.601 -0.000 -0.237) 1.618 11.916 ( -9.608 -0.000 -1.408) 9.711 12.101 ( -5.203 -0.000 -0.118) 5.205 13.490 ( -42.606 -0.000 8.996) 43.545 ======================= Grid point 355 (155/371) ======================= q-point: ( 0.15 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( 9.654 -0.678 10.784) 14.490 1.066 ( 9.540 -1.958 3.956) 10.511 1.450 ( -1.969 -2.488 -5.825) 6.633 2.024 ( 10.841 4.180 2.598) 11.906 2.193 ( 2.847 -0.417 8.689) 9.153 2.271 ( 11.625 13.715 0.874) 18.000 2.475 ( -3.481 2.631 -8.415) 9.478 2.862 ( 16.265 -19.114 4.526) 25.502 4.230 ( -2.633 2.535 -3.989) 5.411 8.121 ( -9.017 -20.360 3.036) 22.473 9.723 ( 36.471 6.702 -6.992) 37.735 10.422 ( -0.031 -5.498 0.494) 5.520 11.751 ( -13.805 -0.616 -1.094) 13.862 11.914 ( -19.803 7.313 2.658) 21.277 12.900 ( -26.063 14.481 2.984) 29.965 ======================= Grid point 356 (156/371) ======================= q-point: ( 0.23 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( 5.110 -1.642 8.480) 10.036 1.257 ( 11.476 -1.615 0.122) 11.590 1.461 ( 6.343 -0.701 -7.076) 9.529 2.043 ( -5.751 14.294 0.436) 15.413 2.111 ( 9.216 5.325 1.084) 10.699 2.245 ( 9.286 12.676 0.831) 15.735 2.513 ( 5.807 -5.929 -3.771) 9.115 3.398 ( 14.656 -21.161 3.793) 26.018 4.157 ( -1.005 2.314 -1.838) 3.122 8.356 ( -9.096 -30.762 -0.648) 32.085 9.917 ( 19.428 11.283 -4.606) 22.934 10.567 ( 4.313 -6.667 2.797) 8.419 11.370 ( -32.405 13.978 -3.503) 35.464 11.542 ( -17.372 -1.338 -1.869) 17.524 12.523 ( -2.349 16.932 2.440) 17.268 ======================= Grid point 357 (157/371) ======================= q-point: ( 0.31 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( 9.156 -3.279 3.945) 10.495 1.419 ( 10.654 -1.127 -1.785) 10.861 1.489 ( 6.517 8.686 -4.017) 11.578 1.823 ( 3.736 11.056 -0.990) 11.712 2.154 ( 7.938 6.304 0.172) 10.138 2.196 ( 4.707 8.544 0.251) 9.758 2.634 ( 3.495 -4.014 -1.360) 5.494 3.852 ( 9.179 -17.302 2.753) 19.778 4.100 ( -1.345 2.516 -1.550) 3.247 8.701 ( -8.488 -37.685 -1.840) 38.673 9.986 ( 12.562 6.214 -2.573) 14.249 10.565 ( -21.448 9.130 5.395) 23.927 10.885 ( 0.089 0.344 -8.698) 8.706 11.293 ( -17.949 -1.273 -4.382) 18.520 12.309 ( 4.631 21.621 4.964) 22.662 ======================= Grid point 358 (158/371) ======================= q-point: ( 0.38 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( 3.924 13.669 -5.175) 15.133 1.553 ( 11.787 -0.660 -2.214) 12.012 1.624 ( 16.107 -3.162 3.986) 16.892 1.810 ( 6.088 5.484 2.165) 8.475 2.129 ( 3.347 7.533 -1.175) 8.326 2.177 ( 4.319 4.317 0.614) 6.137 2.705 ( 2.400 -1.766 -0.651) 3.050 4.004 ( -3.173 4.071 0.289) 5.169 4.164 ( 4.258 -11.223 -0.641) 12.020 9.104 ( -9.743 -39.356 -2.401) 40.615 10.069 ( 7.114 -0.814 -3.820) 8.115 10.104 ( -19.822 7.897 -1.286) 21.375 10.874 ( -22.044 -4.465 4.002) 22.845 11.183 ( 16.150 0.552 -6.548) 17.436 12.100 ( 8.223 26.057 5.050) 27.787 ======================= Grid point 359 (159/371) ======================= q-point: (-0.54 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.200 ( 6.572 10.512 -6.105) 13.819 1.674 ( 5.348 1.977 0.555) 5.729 1.814 ( 9.847 7.618 2.854) 12.772 1.956 ( 13.907 -7.626 0.667) 15.875 2.057 ( 0.523 4.593 -0.635) 4.667 2.172 ( 3.996 5.245 0.519) 6.614 2.750 ( 2.538 -0.569 -0.552) 2.659 3.882 ( -3.828 6.190 -0.255) 7.282 4.294 ( -0.570 -4.328 -0.223) 4.371 9.395 ( -12.893 -25.337 -6.808) 29.232 9.826 ( -13.406 -3.261 1.648) 13.895 10.231 ( 5.193 -13.361 -1.407) 14.404 10.562 ( -27.938 -2.761 0.063) 28.074 11.477 ( 24.116 0.864 2.332) 24.244 11.893 ( 12.758 26.803 0.937) 29.699 ======================= Grid point 360 (160/371) ======================= q-point: (-0.46 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( 8.970 4.391 -6.474) 11.902 1.615 ( -6.045 4.090 2.230) 7.632 1.922 ( 16.129 6.888 0.708) 17.552 1.932 ( -3.201 6.184 -0.583) 6.988 2.133 ( 2.677 6.159 0.776) 6.760 2.291 ( 11.259 -9.619 -3.127) 15.135 2.783 ( 2.401 0.109 -1.370) 2.766 3.736 ( -4.162 8.156 3.205) 9.702 4.275 ( -3.474 1.803 -0.607) 3.961 9.340 ( -22.170 -9.462 -3.605) 24.373 9.804 ( -6.528 -9.359 -1.024) 11.457 10.236 ( -18.512 1.087 -0.750) 18.559 10.577 ( 1.262 -28.732 0.593) 28.766 11.649 ( 13.591 22.864 7.033) 27.512 11.878 ( 24.158 3.663 -6.737) 25.346 ======================= Grid point 361 (161/371) ======================= q-point: (-0.38 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( 11.396 -1.017 -5.155) 12.549 1.473 ( -7.701 3.611 0.885) 8.551 1.769 ( -5.503 8.141 0.013) 9.826 2.040 ( 12.598 6.969 0.764) 14.417 2.074 ( 1.692 6.800 0.958) 7.072 2.466 ( 4.416 -3.793 -10.139) 11.691 2.797 ( 1.998 -0.206 -2.735) 3.393 3.587 ( -5.873 9.590 9.438) 14.681 4.176 ( -2.231 4.202 -1.411) 4.963 9.025 ( -37.655 -6.365 -0.281) 38.190 9.865 ( -0.358 -9.144 -2.637) 9.524 10.054 ( -1.317 5.523 0.981) 5.762 11.007 ( -1.077 -31.326 0.851) 31.356 11.557 ( 14.298 17.901 -1.196) 22.941 12.118 ( 20.187 3.360 -4.945) 21.054 ======================= Grid point 362 (162/371) ======================= q-point: (-0.31 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( -8.035 4.054 2.244) 9.275 1.422 ( 10.818 -2.959 -4.299) 12.012 1.564 ( -5.702 9.765 1.154) 11.367 1.993 ( 0.911 7.499 2.005) 7.816 2.085 ( 4.990 5.403 -3.152) 8.001 2.391 ( 1.541 9.062 -8.331) 12.406 2.809 ( 1.591 -0.749 -6.597) 6.827 3.392 ( -11.316 12.012 11.245) 19.970 4.133 ( 2.957 0.671 -1.383) 3.332 8.521 ( -41.351 -2.787 -1.993) 41.493 10.029 ( 6.938 7.278 4.056) 10.843 10.050 ( 6.740 -11.882 3.218) 14.034 11.370 ( 1.133 -18.942 -1.067) 19.006 11.568 ( 8.800 -0.830 -4.734) 10.027 12.262 ( 15.694 6.376 -6.601) 18.180 ======================= Grid point 363 (163/371) ======================= q-point: (-0.23 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.137 ( -8.838 7.378 1.765) 11.648 1.296 ( -8.695 11.740 3.242) 14.965 1.620 ( 7.617 -2.056 -1.458) 8.023 1.899 ( -1.699 7.169 -1.815) 7.588 1.982 ( -0.192 8.061 0.379) 8.072 2.282 ( 8.918 12.486 0.670) 15.358 2.755 ( -0.567 3.069 -9.213) 9.727 3.090 ( -13.821 13.208 6.542) 20.205 4.203 ( 4.477 -3.527 -2.061) 6.061 8.021 ( -32.099 -2.133 -1.695) 32.214 10.063 ( 10.419 9.154 2.935) 14.177 10.389 ( 8.765 -11.164 10.823) 17.849 11.538 ( 9.948 -5.197 -6.937) 13.195 11.770 ( -4.569 -21.937 0.150) 22.408 12.308 ( 11.808 7.700 -6.459) 15.506 ======================= Grid point 364 (164/371) ======================= q-point: (-0.15 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( -9.910 11.276 3.573) 15.432 1.039 ( -7.408 12.981 5.974) 16.096 1.537 ( -5.488 10.188 -0.458) 11.581 1.881 ( 3.004 1.112 5.749) 6.581 1.931 ( 4.315 8.080 5.730) 10.805 2.266 ( 9.195 10.078 1.733) 13.752 2.572 ( -8.389 11.610 -1.715) 14.426 2.820 ( -4.238 2.740 -6.325) 8.091 4.297 ( 2.702 -5.181 -4.195) 7.193 7.747 ( -12.787 -4.201 2.908) 13.770 10.029 ( 10.702 23.989 -3.574) 26.510 10.497 ( -5.329 4.753 -1.040) 7.216 11.834 ( 9.776 -12.378 -1.233) 15.821 12.048 ( -4.263 -27.068 7.068) 28.299 12.381 ( 11.248 -8.137 3.257) 14.260 ======================= Grid point 365 (165/371) ======================= q-point: (-0.08 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.668 ( -3.957 10.230 10.443) 15.144 0.835 ( -3.457 11.551 10.038) 15.689 1.383 ( 0.234 8.950 10.842) 14.060 1.874 ( -2.161 6.609 3.575) 7.819 1.907 ( 3.925 6.517 4.469) 8.823 2.241 ( -8.645 8.799 2.955) 12.684 2.280 ( 8.688 12.300 -2.303) 15.234 2.850 ( -0.216 -13.179 -6.242) 14.585 4.367 ( -0.095 -6.635 -5.049) 8.338 7.848 ( 13.230 -5.337 7.325) 16.037 9.398 ( -4.005 60.922 -13.339) 62.494 10.407 ( -1.709 -1.799 0.135) 2.485 11.993 ( 0.395 -6.340 -2.119) 6.696 12.172 ( -1.820 -1.478 -1.985) 3.072 13.143 ( 2.395 -54.864 21.148) 58.847 ======================= Grid point 368 (166/371) ======================= q-point: ( 0.15 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 371 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( 5.951 0.000 8.280) 10.197 1.207 ( 10.189 0.000 2.838) 10.577 1.453 ( 11.324 0.000 -5.310) 12.507 2.228 ( 9.973 0.000 2.557) 10.296 2.253 ( -3.551 -0.000 7.137) 7.971 2.387 ( 2.456 0.000 -8.582) 8.926 2.675 ( 18.925 0.000 -1.989) 19.030 2.867 ( 10.012 0.000 3.535) 10.618 4.200 ( -1.231 -0.000 -2.547) 2.829 7.867 ( -9.805 -0.000 2.747) 10.183 10.231 ( 32.046 0.000 -7.126) 32.829 10.323 ( -5.021 -0.000 -0.195) 5.025 11.520 ( -18.468 -0.000 -0.259) 18.469 11.578 ( -36.131 -0.000 -2.467) 36.215 12.774 ( -7.214 -0.000 3.864) 8.183 ======================= Grid point 369 (167/371) ======================= q-point: ( 0.23 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( 9.144 0.468 5.575) 10.720 1.377 ( 10.657 -1.321 0.229) 10.741 1.625 ( 15.546 2.170 -1.870) 15.808 2.142 ( -2.458 7.799 -1.641) 8.341 2.303 ( 6.897 5.626 1.427) 9.015 2.490 ( 5.150 -5.922 -0.930) 7.904 2.642 ( 11.748 21.354 -0.815) 24.386 3.279 ( 11.099 -23.328 0.794) 25.846 4.165 ( -0.521 1.677 -1.612) 2.383 7.872 ( -9.872 -18.247 0.506) 20.753 10.184 ( -1.044 6.617 -1.609) 6.889 10.605 ( 9.735 -3.371 3.536) 10.892 11.006 ( -25.643 4.948 -15.335) 30.285 11.247 ( -21.495 -1.488 -1.142) 21.577 12.731 ( 2.382 8.175 7.649) 11.446 ======================= Grid point 370 (168/371) ======================= q-point: ( 0.31 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( 11.879 0.353 4.391) 12.669 1.522 ( 10.938 0.377 -1.737) 11.081 1.750 ( 13.288 6.313 -1.696) 14.809 2.031 ( 4.849 9.021 0.709) 10.266 2.311 ( 4.951 5.688 0.674) 7.571 2.478 ( 6.390 16.719 -2.405) 18.060 2.630 ( 4.494 -3.068 0.706) 5.487 3.721 ( 8.538 -19.885 0.549) 21.648 4.114 ( -0.784 3.184 -1.571) 3.636 8.083 ( -8.921 -30.822 -1.085) 32.105 10.087 ( -3.819 1.433 -1.819) 4.466 10.301 ( -30.375 5.829 -2.833) 31.059 10.832 ( -17.998 1.329 2.014) 18.159 11.132 ( 16.591 -3.993 -10.422) 19.996 12.679 ( 5.402 14.952 8.797) 18.170 ======================= Grid point 371 (169/371) ======================= q-point: ( 0.38 0.15 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.508 ( 3.672 9.216 -1.131) 9.985 1.744 ( 16.113 0.199 -1.105) 16.152 1.861 ( 12.896 3.121 1.022) 13.308 2.017 ( 7.333 7.255 2.553) 10.626 2.270 ( 1.172 8.859 0.057) 8.937 2.359 ( 7.059 9.881 -1.568) 12.244 2.722 ( 3.503 -1.824 0.472) 3.977 4.032 ( 1.556 -2.258 -5.504) 6.149 4.054 ( 2.907 -6.107 4.575) 8.165 8.431 ( -7.694 -36.872 -2.414) 37.744 9.824 ( -23.474 2.235 -4.761) 24.056 10.053 ( -5.484 -3.595 -0.597) 6.584 10.493 ( -28.511 -1.294 1.431) 28.576 11.460 ( 26.800 -1.734 -2.966) 27.020 12.573 ( 7.535 20.340 6.954) 22.778 ======================= Grid point 372 (170/371) ======================= q-point: ( 0.46 0.15 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( 5.925 11.212 -1.344) 12.752 1.799 ( 1.535 8.560 -0.201) 8.699 2.056 ( 13.390 -4.542 -0.672) 14.156 2.094 ( 12.587 4.168 0.254) 13.261 2.134 ( -1.245 8.894 -0.325) 8.987 2.342 ( 6.965 7.805 -0.044) 10.461 2.785 ( 3.232 -0.366 0.009) 3.253 3.952 ( 0.589 7.290 0.445) 7.327 4.223 ( 1.281 -5.875 -0.011) 6.013 8.801 ( -8.205 -32.397 -4.317) 33.698 9.506 ( -23.413 -5.304 0.001) 24.006 10.066 ( -5.615 -10.262 -0.938) 11.735 10.165 ( -22.561 -3.903 -0.286) 22.898 11.836 ( 25.267 -0.578 1.597) 25.324 12.415 ( 9.555 23.719 2.515) 25.694 ======================= Grid point 373 (171/371) ======================= q-point: (-0.46 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( 9.839 8.692 -1.012) 13.168 1.644 ( -4.422 9.086 -0.196) 10.107 1.980 ( -3.701 7.756 -0.033) 8.594 2.204 ( 9.833 3.470 -1.084) 10.483 2.291 ( 11.807 -1.312 -3.495) 12.384 2.320 ( 6.883 5.611 0.044) 8.880 2.816 ( 2.164 0.856 -1.352) 2.692 3.856 ( 0.006 9.788 4.334) 10.705 4.256 ( -0.329 0.483 -1.515) 1.624 8.846 ( -27.665 -8.347 -0.590) 28.903 9.435 ( -11.312 -22.298 -2.132) 25.094 9.999 ( -10.676 -6.505 -0.034) 12.502 10.217 ( -3.645 -21.422 -0.301) 21.733 12.156 ( 19.104 6.281 5.942) 20.970 12.229 ( 12.748 19.483 -6.964) 24.302 ======================= Grid point 374 (172/371) ======================= q-point: (-0.38 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( 4.319 4.714 5.251) 8.273 1.470 ( 2.738 6.987 -6.495) 9.924 1.813 ( -5.189 8.498 1.362) 10.050 2.241 ( 5.117 4.150 -3.959) 7.686 2.249 ( 4.885 10.404 0.188) 11.495 2.489 ( 11.449 -0.955 -3.775) 12.094 2.803 ( 0.179 1.085 -3.248) 3.429 3.718 ( -4.159 12.027 6.956) 14.503 4.215 ( 1.622 3.714 -2.433) 4.727 8.434 ( -38.756 -2.593 1.782) 38.883 9.639 ( -0.816 -19.355 -1.975) 19.473 10.012 ( -2.884 -6.781 1.766) 7.577 10.547 ( -2.267 -31.073 -0.082) 31.156 12.006 ( 10.545 22.247 -7.363) 25.697 12.399 ( 16.540 3.303 -2.031) 16.988 ======================= Grid point 375 (173/371) ======================= q-point: (-0.31 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.304 ( -5.240 5.876 3.099) 8.461 1.517 ( 0.301 4.168 0.150) 4.182 1.652 ( 3.297 6.828 -0.794) 7.624 2.155 ( 3.453 9.763 -5.498) 11.725 2.206 ( 4.937 8.138 0.679) 9.542 2.574 ( 7.672 6.862 0.452) 10.302 2.776 ( 1.572 -0.928 -6.930) 7.167 3.479 ( -9.686 14.651 5.768) 18.486 4.194 ( 3.868 2.670 -2.154) 5.170 7.956 ( -34.471 -1.945 1.405) 34.554 9.938 ( 4.860 -19.618 5.435) 20.929 10.098 ( 0.218 -5.550 3.289) 6.455 10.954 ( -1.543 -30.863 -0.587) 30.908 11.809 ( 8.024 15.865 -13.245) 22.170 12.509 ( 12.096 6.141 -4.911) 14.427 ======================= Grid point 376 (174/371) ======================= q-point: (-0.23 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( -3.538 8.533 3.440) 9.857 1.320 ( -10.803 8.847 5.123) 14.874 1.692 ( 4.546 2.092 -3.226) 5.954 2.029 ( 4.680 10.277 -4.298) 12.083 2.177 ( 5.559 9.304 4.253) 11.643 2.536 ( 1.355 7.124 1.921) 7.502 2.782 ( 8.410 4.389 -7.943) 12.372 3.131 ( -13.008 16.330 2.206) 20.993 4.212 ( 2.753 -0.271 -2.479) 3.715 7.632 ( -17.627 -3.764 2.745) 18.232 10.195 ( 2.242 -4.006 2.344) 5.155 10.372 ( 6.262 -19.558 15.587) 25.781 11.304 ( -1.989 -23.434 -2.620) 23.663 11.642 ( 2.540 4.045 -15.455) 16.176 12.511 ( 7.759 7.618 -6.492) 12.664 ======================= Grid point 377 (175/371) ======================= q-point: (-0.15 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.000 ( -3.141 12.901 5.951) 14.551 1.126 ( -5.286 8.199 7.854) 12.524 1.623 ( 0.364 7.291 -4.068) 8.357 1.980 ( 1.872 4.019 2.354) 5.020 2.126 ( 0.969 9.137 4.676) 10.310 2.464 ( -1.879 5.065 0.908) 5.478 2.725 ( -5.040 18.057 -3.971) 19.163 2.792 ( 7.182 7.279 -3.787) 10.905 4.237 ( 0.393 -2.707 -3.726) 4.622 7.661 ( 7.511 -7.539 5.311) 11.893 10.294 ( 2.898 -3.278 2.366) 4.974 10.550 ( -4.052 15.677 0.743) 16.209 11.571 ( -5.328 -31.554 3.543) 32.196 11.704 ( 1.792 -15.754 -4.382) 16.450 12.466 ( 3.672 3.400 -4.748) 6.898 ======================= Grid point 378 (176/371) ======================= q-point: (-0.08 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.859 ( 0.626 10.034 8.629) 13.249 1.025 ( 1.062 10.738 9.845) 14.607 1.539 ( 3.792 4.404 -1.735) 6.065 1.933 ( -3.302 5.025 2.087) 6.365 2.056 ( -0.792 3.561 6.302) 7.282 2.245 ( -10.088 11.097 0.672) 15.012 2.540 ( 1.106 0.458 -8.066) 8.154 2.807 ( 14.749 12.929 1.670) 19.684 4.249 ( -1.362 -3.880 -4.877) 6.379 8.068 ( 26.576 -9.656 4.462) 28.625 9.949 ( -11.964 40.578 -10.477) 43.583 10.391 ( 4.577 -0.641 2.098) 5.076 11.825 ( -5.223 -14.906 0.565) 15.805 11.996 ( -7.163 -16.667 2.547) 18.319 12.594 ( -5.215 -27.352 6.160) 28.518 ======================= Grid point 382 (177/371) ======================= q-point: ( 0.23 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 371 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.508 ( 14.709 0.000 3.357) 15.087 1.529 ( 11.591 0.000 0.487) 11.601 1.833 ( 12.551 0.000 -1.192) 12.607 2.176 ( 1.809 0.000 -0.977) 2.056 2.457 ( 5.502 0.000 0.510) 5.525 2.490 ( 4.137 0.000 0.559) 4.175 2.981 ( -2.009 -0.000 -0.571) 2.089 3.206 ( 19.855 0.000 -0.363) 19.858 4.164 ( 0.092 0.000 -1.532) 1.535 7.624 ( -7.795 -0.000 -0.246) 7.799 10.114 ( -10.066 -0.000 -0.456) 10.076 10.386 ( -33.878 -0.000 -2.213) 33.950 10.892 ( -27.598 -0.000 0.641) 27.605 11.033 ( 29.288 0.000 -12.825) 31.973 12.887 ( 4.031 0.000 9.923) 10.710 ======================= Grid point 383 (178/371) ======================= q-point: ( 0.31 0.23 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.668 ( 10.023 2.790 -0.783) 10.434 1.737 ( 16.037 -0.015 0.883) 16.061 1.955 ( 9.116 1.802 -0.394) 9.301 2.191 ( 3.918 4.126 1.471) 5.877 2.459 ( 4.414 5.825 0.262) 7.313 2.601 ( 3.863 -2.806 -0.292) 4.784 2.795 ( -0.272 13.994 -0.761) 14.017 3.604 ( 13.417 -15.761 -0.043) 20.698 4.153 ( 1.833 2.459 -0.488) 3.106 7.650 ( -4.847 -16.438 -1.025) 17.169 9.901 ( -25.706 2.656 -5.996) 26.529 9.975 ( -13.557 -2.174 -0.852) 13.756 10.485 ( -31.362 0.208 0.909) 31.376 11.407 ( 28.899 -1.442 -3.376) 29.131 12.956 ( 4.773 7.168 8.772) 12.292 ======================= Grid point 384 (179/371) ======================= q-point: ( 0.38 0.23 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.692 ( 6.293 8.409 -1.198) 10.571 1.934 ( 12.124 -0.197 -4.154) 12.817 2.044 ( 6.824 3.024 0.557) 7.484 2.197 ( 4.951 3.487 2.869) 6.701 2.406 ( 0.585 9.000 0.434) 9.029 2.579 ( 5.423 9.877 -0.733) 11.291 2.746 ( 2.873 -2.106 0.513) 3.599 3.946 ( 9.106 -11.303 -1.462) 14.588 4.146 ( 3.795 4.676 2.078) 6.371 7.904 ( -1.711 -27.314 -1.725) 27.422 9.494 ( -24.184 2.374 -3.934) 24.617 9.853 ( -12.570 -5.822 -0.442) 13.860 10.069 ( -30.091 -2.900 -0.049) 30.230 11.803 ( 25.697 -1.334 2.705) 25.873 12.929 ( 5.506 13.015 5.026) 14.999 ======================= Grid point 385 (180/371) ======================= q-point: ( 0.46 0.23 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( 5.904 9.677 -0.265) 11.339 1.910 ( -1.569 7.980 -4.953) 9.522 2.110 ( 3.395 -0.067 -1.595) 3.752 2.250 ( 3.344 5.612 -0.041) 6.533 2.326 ( 9.026 3.775 2.947) 10.218 2.556 ( 7.516 8.218 0.011) 11.137 2.815 ( 2.428 -1.336 0.121) 2.773 4.093 ( 5.902 5.344 -0.435) 7.974 4.193 ( 3.977 -3.024 1.562) 5.235 8.289 ( -0.042 -29.523 -2.297) 29.612 9.092 ( -29.821 -0.149 -0.064) 29.821 9.758 ( -17.171 -9.766 -0.846) 19.772 9.837 ( -13.220 -9.449 -0.837) 16.272 12.164 ( 20.744 -0.795 5.335) 21.434 12.812 ( 5.764 17.454 -0.233) 18.383 ======================= Grid point 386 (181/371) ======================= q-point: (-0.46 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( 4.391 7.665 3.601) 9.539 1.718 ( -1.343 9.502 -6.151) 11.399 2.033 ( -3.661 7.019 1.810) 8.120 2.276 ( 5.986 0.519 -3.765) 7.091 2.469 ( 10.358 -0.064 1.997) 10.549 2.530 ( 6.672 9.518 -0.599) 11.639 2.837 ( 0.265 0.645 -1.339) 1.510 4.040 ( 2.326 10.936 2.683) 11.498 4.270 ( 3.781 -0.132 -1.952) 4.257 8.393 ( -27.209 -1.927 1.173) 27.302 8.953 ( -4.975 -27.022 -2.408) 27.582 9.732 ( -8.975 -13.513 -0.603) 16.233 9.869 ( -8.885 -16.992 0.326) 19.178 12.443 ( 15.001 0.709 2.825) 15.281 12.612 ( 5.523 19.782 -4.753) 21.081 ======================= Grid point 387 (182/371) ======================= q-point: (-0.38 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( -4.435 8.338 4.556) 10.486 1.645 ( 6.441 5.794 -2.333) 8.972 1.890 ( -2.012 8.965 1.568) 9.321 2.309 ( 4.583 1.970 -4.272) 6.568 2.467 ( 5.238 9.776 0.110) 11.091 2.632 ( 9.685 -0.982 1.426) 9.838 2.787 ( -2.629 2.024 -3.211) 4.618 3.883 ( -2.145 14.333 1.871) 14.613 4.288 ( 4.312 3.042 -2.773) 5.961 7.946 ( -32.022 1.883 1.715) 32.123 9.336 ( 4.308 -25.035 -1.140) 25.429 9.837 ( -3.423 -12.928 0.446) 13.381 10.089 ( -5.436 -29.218 1.127) 29.741 12.325 ( 3.279 19.410 -12.695) 23.423 12.632 ( 10.968 3.156 1.545) 11.517 ======================= Grid point 388 (183/371) ======================= q-point: (-0.31 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( -1.163 8.002 6.293) 10.246 1.565 ( -5.671 8.555 3.540) 10.857 1.794 ( 4.042 6.159 -2.631) 7.823 2.288 ( 4.439 6.418 -4.743) 9.132 2.424 ( 6.166 8.721 1.924) 10.853 2.666 ( -4.187 3.599 -2.688) 6.141 2.794 ( 6.880 -2.690 1.412) 7.521 3.614 ( -4.819 17.899 -0.985) 18.562 4.276 ( 3.295 3.873 -2.857) 5.833 7.571 ( -19.894 -0.067 1.580) 19.956 9.734 ( 5.210 -23.385 4.458) 24.370 9.977 ( -1.641 -11.286 1.506) 11.504 10.497 ( -1.370 -33.917 0.622) 33.950 12.003 ( 0.094 17.685 -16.786) 24.383 12.694 ( 6.917 5.208 -2.968) 9.153 ======================= Grid point 389 (184/371) ======================= q-point: (-0.23 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.318 ( 0.211 7.808 8.141) 11.282 1.354 ( -5.800 11.953 4.876) 14.152 1.744 ( 0.017 3.568 -3.741) 5.170 2.198 ( 2.397 9.446 -4.191) 10.608 2.377 ( -0.649 8.676 3.738) 9.469 2.560 ( 0.475 2.770 -4.718) 5.492 2.892 ( -1.951 -0.233 3.228) 3.779 3.291 ( 2.436 20.509 -3.394) 20.930 4.239 ( 0.677 2.754 -2.704) 3.919 7.483 ( 2.161 -4.515 2.718) 5.696 10.112 ( -1.360 -9.389 2.334) 9.770 10.195 ( 4.310 -26.988 10.952) 29.442 10.932 ( 0.031 -29.096 -0.170) 29.097 11.641 ( -4.715 14.013 -19.122) 24.172 12.644 ( 2.340 7.112 -6.088) 9.649 ======================= Grid point 390 (185/371) ======================= q-point: (-0.15 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( -4.271 10.452 5.651) 12.626 1.290 ( 4.244 9.076 7.258) 12.372 1.653 ( -3.107 2.648 -3.820) 5.591 2.050 ( -3.230 7.523 -2.527) 8.569 2.220 ( -6.812 7.334 2.064) 10.220 2.522 ( 1.774 6.330 -1.510) 6.745 2.667 ( -13.582 8.284 -7.031) 17.393 3.223 ( 18.660 14.830 4.010) 24.170 4.197 ( -1.086 0.334 -2.525) 2.769 7.789 ( 24.256 -9.437 3.150) 26.217 10.212 ( -3.180 -6.261 2.447) 7.436 10.616 ( -2.226 -11.548 11.045) 16.134 11.193 ( -3.280 -9.827 -7.033) 12.522 11.412 ( -4.570 -17.075 -7.556) 19.224 12.501 ( -3.063 6.381 -7.364) 10.214 ======================= Grid point 391 (186/371) ======================= q-point: (-0.08 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( 2.334 7.746 5.232) 9.634 1.260 ( 3.161 9.475 5.777) 11.539 1.566 ( -1.599 -0.013 -5.722) 5.941 1.915 ( -5.818 0.125 0.222) 5.823 2.059 ( -4.898 4.460 0.901) 6.685 2.229 ( -13.847 9.785 -3.016) 17.222 2.545 ( 6.053 4.364 -6.810) 10.102 3.325 ( 20.220 15.898 7.564) 26.811 4.171 ( -1.582 -1.395 -2.686) 3.415 8.360 ( 34.053 -9.624 -0.140) 35.387 10.067 ( -14.849 16.178 -2.254) 22.075 10.544 ( 2.641 7.690 2.631) 8.546 11.382 ( -13.226 -28.308 4.127) 31.516 11.666 ( -2.174 -21.418 -0.935) 21.549 12.329 ( -8.602 -1.657 -6.858) 11.126 ======================= Grid point 396 (187/371) ======================= q-point: ( 0.31 0.31 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 371 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.832 ( 10.756 0.000 -2.183) 10.976 1.925 ( 11.949 0.000 -4.240) 12.679 2.058 ( 4.920 0.000 1.014) 5.023 2.264 ( 1.011 0.000 2.977) 3.144 2.570 ( 3.473 0.000 -0.677) 3.538 2.631 ( 5.363 0.000 1.425) 5.549 2.825 ( -5.865 -0.000 -1.837) 6.146 3.722 ( 17.040 0.000 1.292) 17.089 4.221 ( 4.987 0.000 0.858) 5.060 7.502 ( 0.373 0.000 -0.639) 0.740 9.548 ( -21.578 -0.000 -5.890) 22.368 9.762 ( -14.997 -0.000 -0.253) 14.999 10.024 ( -35.662 -0.000 0.373) 35.664 11.782 ( 25.920 0.000 3.804) 26.198 13.110 ( 4.193 0.000 5.601) 6.996 ======================= Grid point 397 (188/371) ======================= q-point: ( 0.38 0.31 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.887 ( 7.397 7.656 -3.162) 11.105 1.994 ( 2.869 0.100 -9.066) 9.510 2.134 ( 4.296 -1.344 -0.169) 4.505 2.286 ( 0.652 0.751 5.688) 5.775 2.539 ( 1.663 7.828 0.297) 8.009 2.730 ( 0.499 -3.758 -0.554) 3.831 2.754 ( 5.465 4.264 1.097) 7.018 3.989 ( 13.301 -4.958 1.234) 14.249 4.285 ( 6.071 3.271 1.526) 7.063 7.638 ( 5.166 -13.832 -0.272) 14.768 9.208 ( -21.855 5.883 -2.862) 22.813 9.555 ( -25.374 -4.455 -0.690) 25.771 9.598 ( -22.305 -7.054 -0.239) 23.395 12.143 ( 20.090 -0.503 8.837) 21.953 13.140 ( 3.676 6.140 0.535) 7.176 ======================= Grid point 398 (189/371) ======================= q-point: ( 0.46 0.31 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.830 ( 3.790 8.558 -1.953) 9.561 1.904 ( -1.979 3.701 -8.440) 9.426 2.171 ( 1.295 3.106 1.405) 3.647 2.322 ( 0.234 -0.154 1.886) 1.907 2.501 ( 6.614 4.497 2.292) 8.320 2.743 ( 5.418 4.789 -1.304) 7.348 2.817 ( 1.380 -1.468 0.811) 2.172 4.205 ( 9.617 -2.401 0.196) 9.914 4.303 ( 4.566 6.282 1.284) 7.872 7.987 ( 8.475 -21.612 -0.017) 23.214 8.719 ( -30.741 7.450 -0.524) 31.635 9.363 ( -16.984 -11.914 -1.023) 20.771 9.496 ( -14.388 -11.912 -0.415) 18.683 12.441 ( 13.597 -0.383 10.237) 17.024 13.049 ( 2.659 11.305 -5.114) 12.689 ======================= Grid point 399 (190/371) ======================= q-point: (-0.46 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.721 ( -2.660 7.076 0.364) 7.568 1.815 ( 4.172 6.148 -2.675) 7.897 2.106 ( -1.967 6.459 2.713) 7.277 2.336 ( 2.592 0.226 -2.063) 3.320 2.588 ( 6.300 0.272 2.784) 6.893 2.723 ( 4.938 6.964 -1.289) 8.634 2.827 ( -1.121 0.260 -1.244) 1.694 4.232 ( 2.491 10.552 -0.123) 10.843 4.333 ( 6.148 0.331 -0.820) 6.212 8.080 ( -24.189 7.245 0.622) 25.259 8.579 ( 6.822 -26.804 -0.931) 27.674 9.367 ( -12.158 -17.653 0.493) 21.440 9.517 ( -9.681 -15.622 -0.737) 18.394 12.638 ( 7.378 1.496 6.457) 9.918 12.852 ( 1.786 14.126 -8.717) 16.695 ======================= Grid point 400 (191/371) ======================= q-point: (-0.38 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( -0.632 7.938 5.577) 9.722 1.774 ( 0.812 6.663 3.041) 7.369 1.994 ( -0.901 7.307 -0.451) 7.376 2.359 ( 2.801 -0.073 -2.952) 4.070 2.636 ( 3.614 5.426 0.699) 6.557 2.723 ( 2.083 -0.255 1.080) 2.360 2.770 ( -0.248 3.438 -2.072) 4.021 4.067 ( -0.207 14.541 -2.038) 14.684 4.372 ( 3.828 2.692 -2.041) 5.106 7.658 ( -18.425 6.824 -0.075) 19.648 9.097 ( 11.545 -24.551 0.144) 27.131 9.534 ( -7.221 -26.596 1.083) 27.580 9.641 ( -6.326 -18.981 -0.121) 20.008 12.496 ( -1.911 16.729 -13.558) 21.618 12.797 ( 4.997 2.790 3.120) 6.518 ======================= Grid point 401 (192/371) ======================= q-point: (-0.31 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.543 ( -0.849 8.324 9.498) 12.657 1.666 ( -2.358 10.224 5.631) 11.908 1.886 ( 0.187 6.466 -3.794) 7.499 2.361 ( 0.881 1.637 -3.216) 3.715 2.587 ( -2.219 6.564 2.023) 7.219 2.658 ( 2.639 4.412 -5.111) 7.249 2.814 ( -0.735 -3.242 4.030) 5.224 3.824 ( 1.001 17.799 -3.361) 18.141 4.342 ( 0.678 3.859 -2.902) 4.876 7.453 ( -0.180 2.796 0.236) 2.811 9.517 ( 4.727 -21.443 2.449) 22.094 9.788 ( -0.436 -14.442 0.446) 14.456 9.983 ( -1.602 -37.810 0.857) 37.854 12.114 ( -4.562 18.432 -16.214) 24.968 12.805 ( 1.525 4.408 -0.753) 4.725 ======================= Grid point 402 (193/371) ======================= q-point: (-0.23 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( -4.948 9.619 6.512) 12.626 1.552 ( 0.055 9.700 5.357) 11.081 1.762 ( -1.426 6.707 -3.370) 7.641 2.277 ( -3.161 5.863 -3.267) 7.419 2.420 ( -6.765 7.627 0.268) 10.198 2.652 ( 6.173 3.973 -3.015) 7.936 2.784 ( -12.453 -0.361 0.761) 12.482 3.642 ( 10.710 16.002 0.483) 19.261 4.260 ( -1.912 3.563 -2.986) 5.026 7.608 ( 21.732 -2.980 1.586) 21.993 9.894 ( -0.641 -24.496 4.340) 24.886 9.985 ( 2.139 -13.927 1.515) 14.172 10.490 ( 0.522 -34.582 0.349) 34.588 11.681 ( -6.923 18.951 -15.249) 25.290 12.699 ( -3.365 6.950 -4.872) 9.130 ======================= Grid point 403 (194/371) ======================= q-point: (-0.15 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( -1.834 8.424 2.856) 9.082 1.419 ( -5.862 4.961 -2.043) 7.946 1.646 ( -0.211 7.376 0.675) 7.410 2.083 ( -5.853 9.417 -3.395) 11.596 2.227 ( -6.259 6.998 0.706) 9.415 2.495 ( -18.195 7.012 -4.362) 19.981 2.660 ( 5.450 3.913 -2.855) 7.291 3.688 ( 17.334 11.139 6.498) 21.605 4.175 ( -2.552 1.624 -2.278) 3.787 8.109 ( 37.090 -7.283 1.562) 37.831 10.097 ( -2.152 -8.443 3.526) 9.399 10.331 ( -2.224 -26.455 4.120) 26.866 10.929 ( -0.603 -29.364 0.020) 29.370 11.237 ( -7.987 17.273 -11.284) 22.124 12.467 ( -9.298 7.990 -7.861) 14.563 ======================= Grid point 404 (195/371) ======================= q-point: (-0.08 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( 0.752 2.220 -1.726) 2.911 1.293 ( -2.988 0.071 -3.070) 4.285 1.543 ( -1.581 6.762 0.516) 6.963 1.866 ( -4.202 6.507 -6.011) 9.804 2.081 ( -3.622 5.936 -0.128) 6.955 2.148 ( -10.856 6.219 -0.575) 12.524 2.660 ( 4.711 3.838 -2.640) 6.625 3.821 ( 16.633 11.408 7.490) 21.515 4.122 ( -2.351 -0.442 -1.540) 2.845 8.758 ( 40.651 -5.947 -1.798) 41.123 10.068 ( -8.807 8.749 1.875) 12.555 10.551 ( -9.045 -11.582 5.834) 15.811 10.965 ( -5.098 -3.137 -5.702) 8.267 11.310 ( -1.110 -26.996 0.702) 27.028 12.155 ( -14.025 4.954 -9.174) 17.476 ======================= Grid point 410 (196/371) ======================= q-point: ( 0.38 0.38 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 371 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.932 ( -1.936 -0.000 -9.274) 9.474 2.038 ( 7.237 0.000 -5.518) 9.100 2.144 ( 2.087 0.000 -0.561) 2.162 2.313 ( -3.522 -0.000 7.584) 8.362 2.662 ( 3.876 0.000 -0.403) 3.897 2.679 ( 1.906 0.000 -0.042) 1.906 2.853 ( 3.721 0.000 0.751) 3.796 4.155 ( 12.404 0.000 2.694) 12.693 4.399 ( 5.776 0.000 0.499) 5.798 7.657 ( 10.591 0.000 1.052) 10.643 9.013 ( -35.375 -0.000 -1.184) 35.395 9.043 ( -12.296 -0.000 -2.454) 12.539 9.307 ( -18.036 -0.000 0.913) 18.059 12.434 ( 12.812 0.000 12.983) 18.241 13.207 ( 2.049 0.000 -4.973) 5.378 ======================= Grid point 411 (197/371) ======================= q-point: ( 0.46 0.38 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.854 ( -0.251 2.204 -5.016) 5.485 2.003 ( 3.545 7.751 -3.714) 9.298 2.208 ( 1.586 -1.713 -1.072) 2.569 2.285 ( -5.873 -1.451 4.728) 7.678 2.660 ( 5.638 4.377 1.312) 7.258 2.778 ( 3.219 -3.200 -0.635) 4.583 2.867 ( 1.073 2.639 -0.407) 2.877 4.325 ( 8.802 -0.366 2.475) 9.150 4.439 ( 4.011 4.009 -0.805) 5.728 7.921 ( 13.692 -11.727 1.772) 18.114 8.452 ( -26.853 11.478 -1.697) 29.253 8.988 ( -11.879 -11.003 -0.992) 16.222 9.132 ( -15.877 -9.603 0.529) 18.563 12.648 ( 6.386 -0.040 13.889) 15.287 13.137 ( 0.140 5.602 -10.046) 11.503 ======================= Grid point 412 (198/371) ======================= q-point: (-0.46 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.802 ( 2.201 5.972 0.236) 6.369 1.935 ( 1.497 5.413 1.811) 5.901 2.159 ( -3.884 4.376 2.002) 6.184 2.301 ( -0.689 -4.612 -2.953) 5.520 2.700 ( 4.583 2.318 1.599) 5.379 2.801 ( -2.310 1.997 -0.036) 3.054 2.845 ( 3.693 2.357 -1.717) 4.705 4.386 ( 1.885 8.309 -2.302) 8.826 4.424 ( 4.604 1.214 1.244) 4.922 7.942 ( -15.422 12.987 -1.561) 20.222 8.393 ( 13.640 -22.644 1.608) 26.483 8.972 ( -13.278 -12.914 1.665) 18.597 9.169 ( -6.663 -17.077 -1.890) 18.428 12.770 ( 1.477 2.241 9.129) 9.515 12.951 ( -1.244 8.851 -10.986) 14.162 ======================= Grid point 413 (199/371) ======================= q-point: (-0.38 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( -0.711 6.388 5.679) 8.577 1.899 ( -1.172 6.556 7.119) 9.749 2.055 ( 0.024 5.259 -2.297) 5.738 2.332 ( -0.339 -3.371 -2.997) 4.523 2.712 ( -2.523 1.545 -0.304) 2.974 2.738 ( 1.997 3.483 0.542) 4.051 2.831 ( 0.828 3.253 -1.288) 3.595 4.242 ( 0.969 12.346 -3.289) 12.813 4.432 ( 0.352 2.728 -0.453) 2.787 7.646 ( -0.304 10.995 -1.615) 11.117 8.952 ( 7.780 -32.283 1.835) 33.258 9.034 ( -5.212 -15.630 1.303) 16.527 9.351 ( -0.883 -17.694 -1.571) 17.785 12.584 ( -4.511 14.714 -13.117) 20.222 12.889 ( 0.207 2.000 5.828) 6.165 ======================= Grid point 414 (200/371) ======================= q-point: (-0.31 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( -5.783 6.932 6.733) 11.262 1.795 ( -3.234 7.364 4.701) 9.316 1.986 ( 3.086 8.253 -0.781) 8.846 2.334 ( -2.055 -0.761 -1.831) 2.855 2.614 ( -3.987 5.057 -0.799) 6.489 2.720 ( -2.832 1.220 -1.378) 3.377 2.779 ( -0.561 2.187 -0.445) 2.302 4.067 ( 3.931 14.201 -1.661) 14.828 4.360 ( -3.170 3.456 -2.171) 5.167 7.650 ( 19.455 6.043 -0.293) 20.374 9.203 ( -9.298 -26.672 0.162) 28.247 9.552 ( 11.978 -29.037 1.383) 31.440 9.593 ( 2.667 -16.244 -0.188) 16.462 12.202 ( -5.632 18.063 -13.534) 23.263 12.857 ( -3.144 4.503 2.546) 6.054 ======================= Grid point 415 (201/371) ======================= q-point: (-0.23 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( -9.093 7.326 -1.225) 11.741 1.672 ( -1.799 10.308 4.311) 11.317 1.892 ( 1.270 9.432 0.880) 9.558 2.262 ( -4.679 3.281 -0.892) 5.784 2.451 ( -5.157 8.473 -1.062) 9.976 2.571 ( -14.787 0.205 -3.229) 15.137 2.764 ( 2.929 3.104 -0.812) 4.344 3.986 ( 9.576 11.096 3.367) 15.039 4.243 ( -4.193 2.944 -3.310) 6.099 8.004 ( 36.309 -0.038 1.583) 36.344 9.495 ( -5.183 -30.109 -0.961) 30.567 9.847 ( 4.230 -13.459 0.961) 14.141 10.083 ( 5.806 -28.841 0.827) 29.431 11.788 ( -5.628 20.264 -9.966) 23.273 12.694 ( -8.659 7.985 -2.122) 11.968 ======================= Grid point 416 (202/371) ======================= q-point: (-0.15 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.207 ( -11.148 5.088 -8.547) 14.941 1.537 ( 3.097 12.171 2.347) 12.776 1.770 ( -1.441 9.078 -0.014) 9.191 2.106 ( -5.798 7.803 -1.595) 9.851 2.252 ( -5.856 7.631 0.106) 9.619 2.307 ( -15.169 3.544 -2.212) 15.733 2.752 ( 2.548 3.085 -1.276) 4.199 4.035 ( 6.338 4.982 6.183) 10.159 4.153 ( 1.308 2.860 -2.833) 4.232 8.609 ( 43.978 -3.928 1.829) 44.191 9.842 ( -2.989 -27.354 -0.315) 27.519 10.074 ( 3.270 -10.573 -0.117) 11.067 10.514 ( 0.110 -28.197 0.646) 28.205 11.380 ( -4.824 21.750 -4.453) 22.720 12.379 ( -15.037 10.068 -6.005) 19.067 ======================= Grid point 417 (203/371) ======================= q-point: (-0.08 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.001 ( -4.736 -3.328 -10.876) 12.320 1.471 ( 6.871 8.702 0.622) 11.105 1.610 ( -2.096 8.707 -0.995) 9.011 1.889 ( -4.849 9.297 -3.685) 11.114 2.091 ( -6.853 3.979 1.367) 8.042 2.119 ( -2.657 3.401 1.151) 4.466 2.734 ( 1.771 2.604 -1.622) 3.542 4.032 ( -4.309 -1.370 1.202) 4.679 4.190 ( 9.981 6.201 2.313) 11.976 9.268 ( 41.656 -3.357 -0.381) 41.793 10.080 ( -2.069 -3.056 4.120) 5.531 10.175 ( -7.540 -12.933 -5.994) 16.126 10.901 ( -1.419 -26.604 2.285) 26.739 11.060 ( 0.250 12.852 0.737) 12.875 11.963 ( -19.233 8.190 -8.088) 22.414 ======================= Grid point 424 (204/371) ======================= q-point: ( 0.46 0.46 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 371 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.893 ( 5.543 0.000 0.450) 5.561 2.087 ( 2.400 0.000 -8.025) 8.376 2.148 ( -5.332 -0.000 2.353) 5.828 2.221 ( -4.730 -0.000 3.116) 5.664 2.754 ( 2.252 0.000 0.294) 2.271 2.805 ( 3.340 0.000 0.606) 3.394 2.887 ( 0.791 0.000 -0.741) 1.083 4.441 ( 5.070 0.000 3.268) 6.032 4.503 ( 2.522 0.000 -2.333) 3.435 8.042 ( 12.528 0.000 2.574) 12.790 8.230 ( -16.044 -0.000 -2.532) 16.242 8.788 ( -4.356 -0.000 -1.901) 4.753 8.849 ( -14.380 -0.000 2.045) 14.525 12.788 ( 1.498 0.000 14.994) 15.069 13.088 ( -2.325 -0.000 -13.335) 13.536 ======================= Grid point 425 (205/371) ======================= q-point: (-0.46 0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.928 ( 0.386 7.400 -1.329) 7.529 2.020 ( -0.849 2.261 7.941) 8.300 2.127 ( -1.847 -3.198 -3.384) 5.009 2.207 ( -0.440 -2.236 -1.754) 2.876 2.763 ( -0.193 1.481 0.425) 1.553 2.807 ( -0.462 1.231 -0.226) 1.334 2.898 ( 1.209 1.375 -0.530) 1.906 4.480 ( 1.254 4.574 -3.158) 5.698 4.488 ( 0.111 1.181 2.691) 2.941 7.995 ( -0.275 11.562 -2.674) 11.870 8.270 ( 0.370 -13.780 2.750) 14.056 8.762 ( 1.194 -4.701 2.026) 5.256 8.879 ( -0.461 -14.314 -2.057) 14.468 12.850 ( -2.307 3.624 2.426) 4.934 12.945 ( -2.900 2.499 -3.056) 4.898 ======================= Grid point 426 (206/371) ======================= q-point: (-0.38 0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.800 ( -6.227 4.269 3.392) 8.277 1.950 ( -5.584 3.924 1.866) 7.075 2.168 ( 4.145 4.577 1.167) 6.284 2.249 ( 1.922 -5.114 -1.911) 5.788 2.701 ( -3.904 3.015 0.520) 4.960 2.799 ( 1.450 1.531 -0.591) 2.190 2.842 ( -3.787 2.906 -2.211) 5.261 4.386 ( 1.435 8.536 -2.395) 8.981 4.444 ( -4.401 2.517 1.223) 5.215 7.918 ( 16.900 12.554 -1.939) 21.142 8.440 ( -13.610 -23.989 1.827) 27.641 9.025 ( 16.261 -11.595 1.747) 20.048 9.122 ( 4.981 -17.127 -1.831) 17.930 12.616 ( -5.379 11.168 -12.952) 17.928 12.946 ( -2.639 2.062 10.590) 11.107 ======================= Grid point 427 (207/371) ======================= q-point: (-0.31 0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( -8.865 5.130 1.184) 10.311 1.854 ( -2.586 3.122 4.088) 5.757 2.117 ( -0.594 5.621 -1.175) 5.773 2.307 ( 0.829 0.774 0.714) 1.340 2.585 ( -7.897 2.856 -0.739) 8.430 2.672 ( -6.192 6.387 -3.661) 9.620 2.814 ( 1.556 0.539 -0.599) 1.752 4.280 ( 2.189 9.453 0.630) 9.724 4.327 ( -5.672 3.315 -0.879) 6.629 8.112 ( 32.440 7.707 -0.154) 33.343 8.634 ( -11.977 -30.265 -0.133) 32.549 9.436 ( 7.881 -16.083 -0.696) 17.924 9.459 ( 15.510 -16.683 0.821) 22.794 12.290 ( -4.688 15.407 -10.158) 19.040 12.887 ( -6.683 5.901 6.890) 11.267 ======================= Grid point 428 (208/371) ======================= q-point: (-0.23 0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.424 ( -9.381 8.373 -5.092) 13.566 1.822 ( 0.720 5.795 5.226) 7.837 1.998 ( -2.564 6.694 -0.861) 7.220 2.256 ( -3.362 4.398 1.293) 5.685 2.374 ( -13.077 3.659 -2.679) 13.841 2.482 ( -5.484 7.728 -2.059) 9.697 2.820 ( 1.361 1.466 -0.419) 2.043 4.150 ( -7.311 3.595 -0.689) 8.176 4.266 ( 5.256 5.539 1.597) 7.802 8.565 ( 39.150 0.428 1.357) 39.176 8.959 ( -3.226 -33.597 -1.818) 33.800 9.753 ( 8.759 -13.318 0.157) 15.941 9.877 ( 9.476 -17.965 -0.233) 20.312 11.954 ( -2.968 18.883 -5.297) 19.835 12.668 ( -13.170 10.457 2.147) 16.953 ======================= Grid point 429 (209/371) ======================= q-point: (-0.15 0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.137 ( -6.123 9.785 -9.042) 14.662 1.724 ( -1.921 9.366 -1.109) 9.625 1.892 ( 2.443 9.068 3.272) 9.945 2.118 ( -6.240 6.500 -0.229) 9.013 2.158 ( -9.458 2.726 0.143) 9.844 2.281 ( -6.345 7.527 0.017) 9.845 2.804 ( 0.736 2.341 -0.681) 2.547 4.011 ( -7.740 0.198 -1.329) 7.856 4.302 ( 5.422 2.762 2.244) 6.485 9.124 ( 29.442 -9.984 1.327) 31.117 9.433 ( 11.955 -26.903 -3.052) 29.598 10.036 ( 10.288 -8.519 0.185) 13.358 10.203 ( 2.213 -18.972 -0.290) 19.103 11.626 ( -1.556 21.847 -0.487) 21.908 12.273 ( -19.842 13.481 -1.646) 24.045 ======================= Grid point 430 (210/371) ======================= q-point: (-0.08 0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( 5.002 5.049 -9.324) 11.724 1.565 ( -2.959 5.127 -0.730) 5.965 1.830 ( 4.352 11.986 2.996) 13.099 1.933 ( -1.294 8.470 -1.002) 8.627 2.045 ( -5.066 0.370 1.151) 5.208 2.134 ( -3.696 3.862 1.067) 5.451 2.772 ( 0.400 2.378 -1.244) 2.713 3.921 ( -6.991 -2.804 -0.987) 7.597 4.344 ( 2.658 1.323 1.303) 3.242 9.614 ( 13.162 -15.588 1.461) 20.454 9.858 ( 10.728 -10.876 -7.498) 17.018 10.259 ( 17.664 4.922 0.439) 18.342 10.518 ( -0.813 -27.074 2.767) 27.227 11.329 ( 1.902 19.771 1.776) 19.941 11.771 ( -23.205 12.542 -3.166) 26.567 ======================= Grid point 438 (211/371) ======================= q-point: (-0.46 -0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 371 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.897 ( -11.722 -0.000 2.378) 11.961 1.989 ( -2.044 -0.000 -8.024) 8.280 2.138 ( 1.740 0.000 2.606) 3.134 2.237 ( 6.933 0.000 3.114) 7.600 2.763 ( -2.069 -0.000 0.317) 2.094 2.794 ( -2.008 -0.000 0.375) 2.043 2.897 ( -2.300 -0.000 -1.896) 2.981 4.482 ( -4.923 -0.000 3.060) 5.796 4.508 ( 0.981 0.000 -2.552) 2.734 8.083 ( -11.399 -0.000 2.486) 11.667 8.184 ( 14.551 0.000 -2.466) 14.759 8.784 ( 6.292 0.000 -1.972) 6.594 8.881 ( 14.754 0.000 2.026) 14.892 12.774 ( -5.512 -0.000 -13.112) 14.223 12.974 ( -2.243 -0.000 14.344) 14.518 ======================= Grid point 439 (212/371) ======================= q-point: (-0.38 -0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.739 ( -9.811 1.671 0.531) 9.967 1.903 ( -4.381 0.314 -4.379) 6.202 2.146 ( -2.012 -1.319 -0.912) 2.573 2.357 ( 7.098 1.969 3.424) 8.123 2.686 ( -5.585 3.635 0.595) 6.690 2.770 ( -5.318 -1.159 -1.047) 5.543 2.829 ( -0.553 2.008 -2.257) 3.071 4.391 ( -8.882 1.521 2.287) 9.296 4.483 ( 1.249 4.101 -0.501) 4.316 8.001 ( -14.013 -13.028 1.655) 19.205 8.388 ( 28.535 10.324 -1.697) 30.392 9.004 ( 11.524 -13.312 -1.731) 17.692 9.159 ( 17.608 -5.435 1.366) 18.478 12.586 ( -5.151 5.619 -10.437) 12.924 13.005 ( -4.470 2.380 13.480) 14.400 ======================= Grid point 440 (213/371) ======================= q-point: (-0.31 -0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.577 ( -9.689 2.385 -3.027) 10.427 1.839 ( -3.848 -1.826 1.160) 4.414 2.103 ( -3.425 0.949 -2.527) 4.361 2.392 ( 1.957 4.854 2.528) 5.812 2.522 ( -8.117 5.895 -0.346) 10.038 2.653 ( -4.792 4.091 -3.320) 7.122 2.827 ( 0.713 -0.472 0.161) 0.870 4.233 ( -11.136 2.428 0.604) 11.414 4.435 ( 1.406 5.739 1.601) 6.122 8.090 ( -10.485 -24.106 -0.129) 26.288 8.706 ( 36.409 6.993 -0.267) 37.076 9.372 ( 14.605 -13.998 -1.354) 20.275 9.502 ( 15.766 -9.399 0.235) 18.357 12.366 ( -3.222 10.537 -5.734) 12.421 12.920 ( -9.564 7.213 9.843) 15.504 ======================= Grid point 441 (214/371) ======================= q-point: (-0.23 -0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( -8.822 5.275 -6.290) 12.051 1.857 ( -3.246 -3.349 4.936) 6.791 1.993 ( -5.129 3.140 -3.343) 6.881 2.313 ( -3.278 7.165 2.741) 8.343 2.334 ( -3.456 8.747 -0.039) 9.405 2.489 ( -5.414 7.000 -2.580) 9.218 2.842 ( 0.463 0.144 0.440) 0.655 4.042 ( -11.572 1.783 -1.137) 11.764 4.390 ( 0.331 4.087 1.925) 4.530 8.376 ( -3.707 -32.429 -1.509) 32.675 9.168 ( 35.288 -0.686 -0.118) 35.295 9.752 ( 16.849 -10.443 -0.716) 19.835 9.829 ( 12.664 -10.321 -1.042) 16.370 12.141 ( -1.633 14.800 -1.089) 14.930 12.652 ( -15.917 13.031 5.510) 21.296 ======================= Grid point 442 (215/371) ======================= q-point: (-0.15 -0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( -1.511 6.534 -5.192) 8.481 1.767 ( -6.873 8.070 0.786) 10.629 1.942 ( -4.305 -5.163 0.648) 6.753 2.137 ( -6.690 9.743 -0.106) 11.819 2.207 ( 0.789 8.144 1.650) 8.347 2.309 ( -2.465 8.711 1.098) 9.119 2.834 ( 0.018 1.685 -0.241) 1.702 3.870 ( -10.647 -0.758 -1.791) 10.823 4.355 ( -1.934 0.695 0.888) 2.238 8.848 ( 4.348 -36.052 -1.258) 36.335 9.617 ( 21.153 -7.095 -2.549) 22.456 10.027 ( 4.446 -9.341 -2.219) 10.580 10.215 ( 28.361 -5.862 0.590) 28.967 11.882 ( -4.444 17.852 0.362) 18.400 12.218 ( -18.090 18.291 3.790) 26.003 ======================= Grid point 443 (216/371) ======================= q-point: (-0.08 -0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( 9.578 6.422 -4.385) 12.337 1.580 ( -5.064 4.668 1.127) 6.979 1.893 ( -8.381 8.839 -0.185) 12.182 1.938 ( -5.723 -4.013 0.100) 6.991 2.115 ( -3.292 3.240 0.586) 4.656 2.244 ( 10.452 11.525 3.192) 15.883 2.800 ( 0.050 2.250 -1.144) 2.525 3.756 ( -9.413 -3.936 -1.118) 10.264 4.327 ( -3.939 -2.076 0.129) 4.454 9.401 ( 8.424 -27.587 0.061) 28.845 9.881 ( 8.293 -4.955 -6.563) 11.679 10.170 ( -4.925 -16.888 -0.447) 17.598 10.697 ( 32.175 1.110 1.211) 32.217 11.509 ( -14.209 13.562 -4.954) 20.258 11.780 ( -6.859 23.204 7.419) 25.308 ======================= Grid point 452 (217/371) ======================= q-point: (-0.38 -0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 371 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( -10.270 -0.000 -3.055) 10.715 1.800 ( -5.431 -0.000 -5.504) 7.733 2.109 ( -2.517 -0.000 -0.067) 2.518 2.466 ( 3.381 0.000 3.018) 4.532 2.650 ( -6.196 -0.000 -0.785) 6.245 2.659 ( -5.136 -0.000 -0.383) 5.150 2.829 ( 0.132 0.000 -1.193) 1.200 4.270 ( -12.385 -0.000 2.367) 12.609 4.524 ( 0.261 0.000 1.078) 1.109 7.736 ( -12.074 -0.000 1.016) 12.117 8.917 ( 36.195 0.000 -1.151) 36.213 9.064 ( 14.633 0.000 -2.285) 14.811 9.372 ( 17.278 0.000 0.852) 17.299 12.512 ( -3.892 -0.000 -5.373) 6.635 13.025 ( -7.594 -0.000 12.462) 14.593 ======================= Grid point 453 (218/371) ======================= q-point: (-0.31 -0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( -10.573 0.509 -4.801) 11.623 1.717 ( -6.336 -4.036 -2.446) 7.901 2.056 ( -4.082 1.086 -1.039) 4.349 2.468 ( -2.252 3.445 3.389) 5.332 2.533 ( -3.154 5.186 0.219) 6.074 2.615 ( -2.005 0.920 -2.666) 3.460 2.826 ( -0.164 -0.461 0.655) 0.817 4.086 ( -14.564 1.049 1.371) 14.666 4.501 ( -1.703 2.942 1.359) 3.661 7.696 ( -7.878 -14.156 -0.194) 16.202 9.221 ( 23.045 3.717 -2.572) 23.484 9.495 ( 31.054 -7.639 -0.763) 31.989 9.628 ( 15.511 -3.800 -0.111) 15.970 12.415 ( -3.136 5.087 0.197) 5.980 12.921 ( -11.823 5.510 8.362) 15.494 ======================= Grid point 454 (219/371) ======================= q-point: (-0.23 -0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.260 ( -7.583 1.175 -2.763) 8.155 1.713 ( -6.587 -8.675 0.402) 10.900 1.950 ( -5.899 3.683 -0.759) 6.995 2.375 ( -4.369 5.901 1.566) 7.508 2.408 ( -4.328 7.224 1.222) 8.510 2.534 ( 1.140 6.166 -2.000) 6.582 2.844 ( -0.112 -0.816 1.205) 1.459 3.872 ( -15.031 0.536 -0.190) 15.042 4.418 ( -4.351 3.575 0.488) 5.652 7.917 ( -1.009 -27.838 -1.038) 27.875 9.477 ( 16.925 -3.017 -4.024) 17.656 9.857 ( 11.629 -4.001 -1.252) 12.362 10.045 ( 34.556 -5.413 0.145) 34.978 12.263 ( -8.146 9.712 4.051) 13.308 12.663 ( -11.449 12.440 3.726) 17.312 ======================= Grid point 455 (220/371) ======================= q-point: (-0.15 -0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( 0.818 0.180 1.354) 1.592 1.750 ( -7.516 -8.930 1.123) 11.727 1.781 ( -7.389 6.704 -0.801) 10.009 2.179 ( -7.791 10.808 -0.687) 13.341 2.239 ( -6.371 5.696 0.126) 8.547 2.501 ( 6.501 6.585 2.138) 9.497 2.845 ( -0.367 0.695 -0.263) 0.829 3.675 ( -14.071 -1.944 -0.810) 14.228 4.307 ( -6.223 1.473 -0.268) 6.400 8.413 ( 7.414 -37.997 -0.564) 38.718 9.699 ( 10.447 -5.453 -4.606) 12.652 10.001 ( 4.686 -1.643 -2.951) 5.776 10.599 ( 34.662 -5.361 -0.272) 35.075 11.920 ( -20.320 14.021 2.225) 24.788 12.375 ( -2.737 18.267 3.769) 18.852 ======================= Grid point 456 (221/371) ======================= q-point: (-0.08 -0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.280 ( 8.294 0.284 0.669) 8.326 1.568 ( -7.152 6.487 -0.067) 9.656 1.757 ( -8.406 -7.650 -1.015) 11.411 1.916 ( -6.890 10.008 0.169) 12.152 2.093 ( -5.839 2.975 0.499) 6.572 2.528 ( 7.826 5.941 -0.136) 9.827 2.819 ( 0.390 1.925 -1.445) 2.438 3.543 ( -12.256 -5.341 1.654) 13.471 4.219 ( -6.297 -1.712 -0.358) 6.536 9.108 ( 13.535 -39.213 0.889) 41.492 9.846 ( 1.287 -6.230 -3.640) 7.329 9.968 ( -4.742 2.849 -5.183) 7.581 11.110 ( 29.997 -3.914 -2.461) 30.351 11.451 ( -16.613 14.098 1.748) 21.859 12.099 ( -0.701 22.058 3.332) 22.319 ======================= Grid point 466 (222/371) ======================= q-point: (-0.31 -0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 371 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( -9.037 -0.000 -2.352) 9.338 1.566 ( -8.274 -0.000 -2.112) 8.539 2.000 ( -4.904 -0.000 -0.018) 4.905 2.487 ( -2.644 -0.000 4.233) 4.991 2.492 ( -6.231 -0.000 -0.812) 6.283 2.616 ( 1.425 0.000 -3.362) 3.651 2.827 ( 0.042 0.000 1.532) 1.533 3.882 ( -17.136 -0.000 1.173) 17.176 4.485 ( -4.435 -0.000 0.271) 4.444 7.505 ( -4.537 -0.000 -0.670) 4.586 9.440 ( 14.811 0.000 -5.345) 15.746 9.801 ( 13.780 0.000 -0.123) 13.780 9.964 ( 37.626 0.000 0.256) 37.627 12.399 ( -8.582 -0.000 5.798) 10.357 12.841 ( -9.732 -0.000 3.039) 10.195 ======================= Grid point 467 (223/371) ======================= q-point: (-0.23 -0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( -4.637 -0.719 2.251) 5.204 1.486 ( -9.216 -7.139 -0.610) 11.674 1.916 ( -5.622 2.451 1.028) 6.218 2.365 ( -6.842 4.281 0.045) 8.071 2.427 ( -6.527 4.019 1.927) 7.903 2.596 ( 0.186 0.949 -2.373) 2.562 2.847 ( 1.555 -0.097 0.862) 1.781 3.643 ( -18.131 -0.499 0.220) 18.140 4.388 ( -6.012 2.896 -0.739) 6.714 7.590 ( 0.727 -17.811 -0.838) 17.845 9.606 ( 12.969 -1.548 -6.284) 14.494 9.975 ( 10.697 -0.468 -0.810) 10.738 10.481 ( 34.343 -2.539 0.485) 34.440 12.202 ( -19.788 5.633 4.856) 21.139 12.725 ( -1.860 6.696 1.198) 7.052 ======================= Grid point 468 (224/371) ======================= q-point: (-0.15 -0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.196 ( -0.115 -3.597 4.680) 5.904 1.484 ( -9.982 -11.105 -0.334) 14.936 1.783 ( -6.167 6.050 0.776) 8.674 2.194 ( -7.470 6.720 0.459) 10.058 2.227 ( -8.821 7.926 -1.309) 11.931 2.571 ( -4.209 -1.822 0.241) 4.593 2.875 ( 3.732 1.688 -1.077) 4.235 3.423 ( -17.232 -3.291 0.884) 17.566 4.254 ( -5.212 3.714 -0.961) 6.472 8.010 ( 7.603 -34.885 -0.396) 35.706 9.754 ( 9.733 -1.733 -5.157) 11.150 10.064 ( 4.881 3.198 -2.034) 6.180 10.974 ( 30.106 -4.552 -0.713) 30.457 11.805 ( -21.038 10.399 0.159) 23.468 12.595 ( -0.635 12.842 2.839) 13.167 ======================= Grid point 469 (225/371) ======================= q-point: (-0.08 -0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( 0.193 -6.880 3.171) 7.579 1.491 ( -10.672 -10.823 -0.783) 15.220 1.598 ( -4.152 9.405 -1.404) 10.376 1.973 ( -4.220 8.677 -0.571) 9.666 2.045 ( -7.480 3.061 0.823) 8.124 2.519 ( -8.297 -4.130 -3.771) 10.006 2.873 ( 2.938 2.854 -4.856) 6.352 3.304 ( -13.702 -7.360 7.463) 17.251 4.152 ( -2.193 2.499 -0.858) 3.434 8.689 ( 9.171 -43.524 -1.035) 44.491 9.789 ( -4.235 5.552 -2.374) 7.376 10.010 ( 4.562 5.481 -3.009) 7.740 11.345 ( 8.725 2.305 -5.491) 10.564 11.510 ( 7.647 1.978 3.095) 8.484 12.369 ( -3.147 18.401 1.660) 18.742 ======================= Grid point 480 (226/371) ======================= q-point: (-0.23 -0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 371 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( -3.010 -0.000 4.871) 5.725 1.291 ( -11.147 -0.000 0.558) 11.161 1.866 ( -5.504 -0.000 1.311) 5.658 2.302 ( -7.599 -0.000 0.545) 7.619 2.359 ( -8.494 -0.000 0.349) 8.501 2.519 ( -8.948 -0.000 -1.156) 9.022 2.897 ( 4.405 0.000 -0.152) 4.408 3.375 ( -19.814 -0.000 -0.372) 19.818 4.330 ( -4.261 -0.000 -1.395) 4.484 7.477 ( 2.733 0.000 -0.215) 2.742 9.732 ( 12.416 0.000 -6.130) 13.847 10.112 ( 9.370 0.000 -0.464) 9.381 10.906 ( 29.567 0.000 0.634) 29.574 11.958 ( -21.811 -0.000 -1.182) 21.843 12.774 ( -0.424 -0.000 2.536) 2.571 ======================= Grid point 481 (227/371) ======================= q-point: (-0.15 -0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( -3.992 -3.392 4.751) 7.072 1.195 ( -12.183 -8.131 1.349) 14.709 1.773 ( -5.495 3.082 0.098) 6.301 2.158 ( -9.971 4.306 -0.387) 10.868 2.182 ( -8.800 4.247 -3.576) 10.405 2.401 ( -13.282 -3.086 4.948) 14.506 2.929 ( 1.470 1.539 -3.658) 4.232 3.131 ( -18.087 -4.596 1.500) 18.722 4.263 ( -0.036 3.661 -1.485) 3.951 7.696 ( 6.313 -22.804 0.587) 23.669 9.864 ( 10.851 0.959 -3.749) 11.520 10.189 ( 5.868 4.812 -0.602) 7.612 11.295 ( 24.281 -2.246 -0.348) 24.387 11.639 ( -14.290 3.842 -6.218) 16.051 12.724 ( -3.626 6.760 4.488) 8.888 ======================= Grid point 482 (228/371) ======================= q-point: (-0.08 -0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( -8.737 -10.012 0.004) 13.289 1.184 ( -10.552 -8.966 4.129) 14.449 1.652 ( -2.512 5.103 -1.087) 5.790 1.954 ( -8.538 1.688 -1.615) 8.852 2.023 ( -5.203 2.741 -0.646) 5.916 2.253 ( -16.891 -1.766 1.903) 17.089 2.841 ( -5.065 -1.307 -7.370) 9.037 3.064 ( -11.097 -7.894 6.554) 15.114 4.220 ( 4.122 5.300 -1.486) 6.877 8.212 ( 4.311 -35.702 -1.459) 35.991 9.837 ( -3.335 10.325 -4.752) 11.845 10.197 ( 10.400 5.788 2.973) 12.268 11.419 ( 2.785 4.122 -4.877) 6.967 11.680 ( 18.384 -5.701 -1.366) 19.296 12.538 ( -6.764 14.076 4.954) 16.384 ======================= Grid point 494 (229/371) ======================= q-point: (-0.15 -0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 371 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( -13.761 -0.000 3.179) 14.123 1.062 ( -9.100 -0.000 4.930) 10.350 1.708 ( -6.101 -0.000 -1.911) 6.393 1.958 ( -17.342 -0.000 -5.245) 18.118 2.080 ( -10.074 -0.000 2.859) 10.472 2.285 ( -8.820 -0.000 8.732) 12.411 2.817 ( -19.122 -0.000 -1.783) 19.205 2.934 ( -0.917 -0.000 -3.621) 3.735 4.315 ( 4.673 0.000 -2.096) 5.121 7.626 ( 6.268 0.000 2.894) 6.904 9.996 ( 7.456 0.000 -4.963) 8.956 10.309 ( 5.379 0.000 -0.273) 5.386 11.484 ( -1.424 -0.000 -8.804) 8.919 11.580 ( 19.400 0.000 -0.245) 19.402 12.742 ( -6.126 -0.000 9.376) 11.200 ======================= Grid point 495 (230/371) ======================= q-point: (-0.08 -0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.865 ( -12.895 -8.732 3.934) 16.063 0.972 ( -13.380 -5.164 5.025) 15.197 1.595 ( -11.580 -4.696 -2.864) 12.820 1.758 ( -9.965 -1.427 2.795) 10.447 1.935 ( -10.517 2.672 4.417) 11.715 2.184 ( -5.684 5.690 3.412) 8.737 2.609 ( -14.497 -6.571 -1.091) 15.954 2.907 ( -2.404 -2.285 -4.001) 5.197 4.350 ( 6.296 3.891 -2.901) 7.950 7.882 ( 4.262 -19.375 2.321) 19.973 9.829 ( -13.090 7.745 -16.890) 22.729 10.386 ( 6.163 -1.416 0.983) 6.400 11.575 ( 19.324 3.160 1.589) 19.645 11.836 ( 14.901 -3.729 -1.093) 15.399 12.683 ( -2.607 11.035 15.575) 19.266 ======================= Grid point 508 (231/371) ======================= q-point: (-0.08 -0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 371 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.662 ( -12.102 -0.000 9.081) 15.130 0.756 ( -17.053 -0.000 6.876) 18.387 1.298 ( -20.502 -0.000 8.971) 22.379 1.735 ( -0.629 -0.000 5.693) 5.727 1.836 ( -9.687 -0.000 3.441) 10.280 2.185 ( -4.280 -0.000 1.897) 4.682 2.342 ( -12.421 -0.000 -2.266) 12.626 2.906 ( 7.930 0.000 -2.827) 8.419 4.444 ( 6.196 0.000 -3.796) 7.266 7.851 ( 5.123 0.000 6.713) 8.444 9.277 ( -49.009 -0.000 -32.550) 58.833 10.407 ( 2.182 0.000 -0.272) 2.199 11.966 ( 9.540 0.000 -1.392) 9.641 11.970 ( 20.593 0.000 4.815) 21.149 13.094 ( 31.723 0.000 28.967) 42.959 ======================= Grid point 509 (232/371) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.795 ( -1.228 -0.000 11.180) 11.247 0.834 ( 0.699 0.000 6.781) 6.817 1.737 ( 2.899 0.000 21.154) 21.351 1.748 ( -0.350 -0.000 1.301) 1.347 1.816 ( -1.915 -0.000 -1.166) 2.242 2.077 ( -0.739 -0.000 0.658) 0.990 2.099 ( -0.317 -0.000 -1.333) 1.370 3.007 ( 0.869 0.000 -10.754) 10.789 4.506 ( -0.822 -0.000 -1.973) 2.137 8.117 ( 5.797 0.000 8.620) 10.388 8.175 ( 0.128 0.000 5.904) 5.906 10.426 ( 0.126 0.000 -0.277) 0.304 12.039 ( -0.159 -0.000 -1.350) 1.359 12.121 ( -0.686 -0.000 -3.026) 3.102 14.280 ( 0.594 0.000 3.055) 3.113 ======================= Grid point 510 (233/371) ======================= q-point: ( 0.08 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( 2.543 -2.605 8.402) 9.157 0.945 ( 3.323 -6.041 4.765) 8.381 1.670 ( -8.907 4.999 6.295) 11.998 1.796 ( 2.530 -1.458 0.173) 2.925 1.962 ( 10.356 -6.991 0.614) 12.510 2.084 ( 0.681 0.718 0.463) 1.093 2.362 ( 15.656 -14.800 6.236) 22.429 2.801 ( -8.817 10.715 -7.407) 15.729 4.338 ( -6.887 8.439 -2.010) 11.077 8.276 ( 4.501 -3.775 0.297) 5.882 8.636 ( 25.310 -28.463 2.262) 38.156 10.424 ( 0.171 -0.318 0.023) 0.361 11.994 ( -4.300 0.842 -0.260) 4.389 12.082 ( -0.536 2.815 -2.464) 3.779 13.885 ( -26.369 29.096 3.780) 39.448 ======================= Grid point 511 (234/371) ======================= q-point: ( 0.15 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.026 ( 4.984 -3.993 5.200) 8.235 1.131 ( 4.352 -8.821 4.322) 10.744 1.489 ( -9.632 3.518 -1.869) 10.423 1.870 ( 5.163 -0.709 0.647) 5.252 2.093 ( 1.170 0.703 0.782) 1.573 2.231 ( 10.206 -7.105 2.594) 12.703 2.370 ( -12.221 15.507 -5.046) 20.378 2.934 ( 20.054 -19.259 2.206) 27.891 4.175 ( -2.211 3.900 -1.740) 4.809 8.395 ( 8.201 -5.305 -6.738) 11.866 9.320 ( 14.630 -23.577 1.115) 27.770 10.474 ( 3.627 -3.938 0.874) 5.425 11.899 ( -8.848 0.248 0.079) 8.852 11.957 ( -5.881 10.466 -0.680) 12.025 13.000 ( -30.173 37.283 0.944) 47.973 ======================= Grid point 512 (235/371) ======================= q-point: ( 0.23 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( 4.933 -2.849 2.804) 6.349 1.328 ( -4.861 1.472 -2.794) 5.796 1.340 ( 3.615 -8.468 4.937) 10.447 1.908 ( -10.915 16.527 -3.599) 20.131 1.955 ( 3.969 -0.178 0.902) 4.074 2.112 ( 1.349 1.549 0.609) 2.143 2.473 ( 7.924 -6.475 -0.824) 10.266 3.477 ( 18.420 -18.727 -0.183) 26.269 4.122 ( -0.548 1.474 -0.684) 1.715 8.613 ( 16.044 -10.723 -9.156) 21.359 9.673 ( 1.265 -12.964 2.698) 13.302 10.631 ( 5.607 -6.614 2.450) 9.011 11.471 ( -27.424 23.394 -5.284) 36.432 11.759 ( -12.745 0.885 2.042) 12.938 12.293 ( -5.752 26.745 -0.409) 27.360 ======================= Grid point 513 (236/371) ======================= q-point: ( 0.31 0.00 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( 0.707 11.211 0.049) 11.234 1.338 ( 3.473 -4.956 1.996) 6.372 1.443 ( -1.717 -2.377 0.006) 2.932 1.683 ( 3.236 1.884 3.902) 5.409 2.016 ( 2.068 -0.871 -0.059) 2.245 2.111 ( 1.116 1.201 -0.497) 1.713 2.618 ( 4.089 -3.590 -0.805) 5.500 3.920 ( 13.345 -14.476 -2.585) 19.858 4.081 ( -2.021 1.919 -0.586) 2.848 9.036 ( 22.705 -18.700 -6.553) 30.135 9.805 ( -2.984 -7.453 0.658) 8.055 10.712 ( -25.720 22.032 -6.330) 34.453 10.815 ( 5.360 -6.712 3.204) 9.168 11.556 ( -17.385 0.641 2.568) 17.585 11.952 ( 2.896 24.951 0.650) 25.127 ======================= Grid point 514 (237/371) ======================= q-point: ( 0.38 0.00 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.981 ( 2.461 15.623 -1.774) 15.915 1.488 ( 2.565 -3.884 1.873) 5.018 1.571 ( 11.013 -9.152 2.182) 14.485 1.786 ( 2.244 -1.234 7.117) 7.564 2.026 ( -0.348 0.077 -1.812) 1.847 2.111 ( 0.935 0.672 -0.143) 1.160 2.686 ( 1.935 -1.592 -0.928) 2.672 3.989 ( -3.988 2.976 -2.115) 5.407 4.212 ( 7.100 -8.483 -2.093) 11.258 9.626 ( 17.456 -26.499 -1.846) 31.786 9.806 ( 1.039 1.525 -5.972) 6.251 10.172 ( -13.537 10.553 -3.348) 17.488 11.006 ( 5.970 -4.907 1.869) 7.951 11.306 ( -17.582 2.731 5.571) 18.645 11.663 ( 2.184 22.197 1.265) 22.340 ======================= Grid point 515 (238/371) ======================= q-point: ( 0.46 0.00 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.877 ( 6.600 5.305 -5.248) 9.963 1.589 ( 4.655 -1.714 2.629) 5.615 1.818 ( -3.808 1.330 7.317) 8.355 1.892 ( 11.976 -9.554 -1.310) 15.376 1.999 ( -0.102 -0.255 -1.761) 1.782 2.108 ( -0.059 0.855 0.283) 0.902 2.716 ( 1.376 -0.862 -1.409) 2.149 3.870 ( -4.776 3.735 -0.418) 6.077 4.330 ( 0.941 -2.391 -1.512) 2.981 9.656 ( -8.340 -1.790 -6.803) 10.911 9.927 ( 0.443 6.182 0.033) 6.198 10.328 ( 19.089 -24.606 -0.188) 31.143 10.870 ( -18.907 10.091 1.662) 21.495 11.250 ( 12.872 9.963 -5.145) 17.071 11.500 ( -2.734 -0.283 8.615) 9.043 ======================= Grid point 516 (239/371) ======================= q-point: (-0.46 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( 6.620 -6.610 -7.804) 12.183 1.680 ( 5.930 1.472 -0.045) 6.110 1.731 ( -8.566 3.294 4.226) 10.104 1.918 ( -2.679 2.227 0.953) 3.612 2.088 ( -1.378 1.088 0.983) 2.012 2.197 ( 9.831 -8.925 -7.413) 15.207 2.733 ( 1.012 -0.781 -2.281) 2.615 3.768 ( -3.826 3.787 4.527) 7.034 4.296 ( -4.262 2.660 -0.351) 5.037 9.584 ( -2.722 -3.286 -2.760) 5.081 9.878 ( 0.803 2.139 0.786) 2.416 10.346 ( -17.673 22.908 -1.418) 28.967 10.943 ( 13.663 -23.999 2.529) 27.732 11.191 ( 6.008 7.751 -5.757) 11.372 11.649 ( 5.007 -7.946 2.297) 9.669 ======================= Grid point 517 (240/371) ======================= q-point: (-0.38 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( 5.933 -12.426 -6.566) 15.255 1.566 ( -9.743 3.938 1.235) 10.581 1.651 ( -0.438 7.105 -4.356) 8.346 1.903 ( 2.684 1.182 3.675) 4.702 2.053 ( -2.920 1.154 1.984) 3.714 2.294 ( 0.787 -3.306 -14.222) 14.622 2.737 ( 0.614 -0.648 -3.397) 3.513 3.716 ( -3.767 4.754 11.279) 12.806 4.164 ( -5.853 4.168 -0.585) 7.210 9.576 ( -25.337 -7.205 1.734) 26.399 9.746 ( 4.105 26.771 -5.113) 27.562 9.936 ( 6.424 1.984 5.526) 8.703 11.166 ( 5.941 2.597 -5.736) 8.657 11.426 ( 11.577 -17.739 1.634) 21.246 11.827 ( 4.448 -9.711 -4.479) 11.582 ======================= Grid point 518 (241/371) ======================= q-point: (-0.31 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( 4.783 -9.776 -4.678) 11.846 1.387 ( -7.748 4.766 0.660) 9.121 1.472 ( -3.529 8.138 -2.667) 9.262 1.963 ( 4.789 1.458 1.356) 5.187 2.005 ( -3.585 0.747 2.984) 4.724 2.156 ( -7.912 1.821 -13.802) 16.013 2.713 ( -0.622 0.757 -5.876) 5.957 3.582 ( -12.437 11.638 12.754) 21.279 4.094 ( 1.016 -1.245 -1.030) 1.909 8.961 ( -30.672 16.890 -3.594) 35.199 9.754 ( 10.390 7.127 2.789) 12.905 10.163 ( 13.064 -7.072 11.254) 18.638 11.197 ( 6.734 -0.997 -8.578) 10.951 11.744 ( 17.123 -0.561 -3.600) 17.506 12.017 ( -4.148 -21.905 -2.274) 22.410 ======================= Grid point 519 (242/371) ======================= q-point: (-0.23 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( -9.262 6.517 0.378) 11.331 1.213 ( -5.387 10.962 -0.093) 12.214 1.578 ( 6.172 -4.576 -0.095) 7.684 1.927 ( -3.956 5.574 -4.987) 8.461 1.945 ( -5.159 -0.815 2.164) 5.654 2.041 ( 1.204 -2.246 1.623) 3.021 2.625 ( -2.499 2.074 -8.075) 8.704 3.237 ( -17.998 15.897 9.166) 25.703 4.169 ( 3.889 -3.983 -2.023) 5.923 8.369 ( -23.315 11.356 -0.375) 25.936 9.759 ( 5.616 11.774 0.304) 13.048 10.496 ( 8.161 -0.968 10.044) 12.978 11.363 ( 18.607 -10.301 -4.430) 21.724 11.909 ( 16.289 4.244 -4.720) 17.482 12.286 ( -5.303 -27.639 2.505) 28.254 ======================= Grid point 520 (243/371) ======================= q-point: (-0.15 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( -10.127 7.198 4.943) 13.372 1.002 ( -6.294 9.482 4.209) 12.135 1.558 ( -2.342 5.084 0.553) 5.625 1.871 ( -1.332 3.793 2.926) 4.972 1.954 ( -0.446 -1.433 6.972) 7.132 2.097 ( 0.455 -1.447 1.223) 1.948 2.541 ( -1.143 -0.145 -4.476) 4.622 2.825 ( -13.889 11.695 1.911) 18.257 4.262 ( 3.842 -4.943 -4.273) 7.580 8.044 ( -13.423 1.309 5.622) 14.612 9.472 ( -7.760 30.500 -5.900) 32.020 10.479 ( -2.279 5.253 0.081) 5.726 11.824 ( 14.721 -9.583 2.061) 17.686 12.047 ( 11.449 0.555 -2.194) 11.670 12.817 ( 18.116 -38.557 10.572) 43.894 ======================= Grid point 521 (244/371) ======================= q-point: (-0.08 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.810 ( -7.762 3.699 10.093) 13.259 0.857 ( -3.168 6.802 7.465) 10.584 1.551 ( 2.280 0.044 12.437) 12.644 1.806 ( -2.468 2.988 0.735) 3.944 1.908 ( -5.458 5.458 3.855) 8.628 2.096 ( -1.233 -0.745 -0.521) 1.532 2.301 ( -14.027 12.656 4.829) 19.500 2.876 ( 11.616 -11.332 -7.851) 18.028 4.387 ( 5.894 -7.793 -3.536) 10.391 8.010 ( -5.496 -6.557 9.655) 12.901 8.677 ( -19.809 43.707 -1.292) 48.004 10.425 ( -0.052 0.606 -0.167) 0.630 12.005 ( 4.279 -2.194 -1.003) 4.912 12.131 ( 1.655 -1.171 -2.479) 3.202 13.788 ( 28.178 -32.896 8.663) 44.173 ======================= Grid point 523 (245/371) ======================= q-point: ( 0.08 0.08 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( 6.461 0.000 1.605) 6.657 0.991 ( 8.451 0.000 6.084) 10.413 1.521 ( -13.607 -0.000 0.027) 13.607 1.935 ( 11.160 0.000 1.263) 11.231 2.059 ( 12.177 0.000 -0.744) 12.200 2.239 ( 10.986 0.000 -0.535) 10.999 2.474 ( 12.660 0.000 7.459) 14.694 2.677 ( -10.946 -0.000 -5.601) 12.296 4.274 ( -7.262 -0.000 -1.394) 7.394 8.128 ( -6.914 -0.000 2.038) 7.208 9.068 ( 45.301 0.000 -6.295) 45.737 10.406 ( -1.525 -0.000 -0.225) 1.542 11.898 ( -9.307 -0.000 -0.280) 9.311 12.095 ( -2.064 -0.000 0.081) 2.066 13.590 ( -43.017 -0.000 1.750) 43.053 ======================= Grid point 524 (246/371) ======================= q-point: ( 0.15 0.08 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.106 ( 8.453 -1.377 0.050) 8.564 1.192 ( 12.449 -2.323 4.214) 13.347 1.356 ( -8.463 0.358 -1.146) 8.548 2.051 ( 10.973 5.184 -0.093) 12.136 2.253 ( 6.001 -0.630 -6.590) 8.935 2.284 ( 10.781 8.094 0.716) 13.500 2.376 ( -8.036 8.328 3.430) 12.071 2.919 ( 16.009 -19.733 0.056) 25.411 4.183 ( -2.075 2.330 -0.336) 3.138 8.137 ( -8.404 -15.685 -1.589) 17.865 9.586 ( 34.650 2.730 -6.457) 35.352 10.424 ( -0.277 -6.573 -0.311) 6.587 11.739 ( -13.849 0.191 -0.134) 13.851 11.912 ( -22.043 7.172 -2.664) 23.333 12.957 ( -25.127 15.686 3.006) 29.773 ======================= Grid point 525 (247/371) ======================= q-point: ( 0.23 0.08 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( 7.664 -1.359 -2.254) 8.103 1.304 ( 3.325 -0.421 0.755) 3.435 1.409 ( 10.109 -0.265 4.808) 11.198 1.996 ( -4.129 12.464 -4.003) 13.727 2.125 ( 9.006 7.741 0.619) 11.892 2.253 ( 7.195 11.445 -0.236) 13.520 2.493 ( 6.463 -5.232 1.191) 8.400 3.416 ( 14.141 -21.527 -2.012) 25.834 4.137 ( -0.881 2.181 -0.020) 2.353 8.311 ( -6.387 -27.130 -3.680) 28.113 9.842 ( 19.394 7.829 -2.572) 21.071 10.586 ( 5.475 -10.830 -1.244) 12.199 11.241 ( -38.111 14.999 -7.916) 41.715 11.532 ( -19.242 -0.483 0.742) 19.262 12.614 ( 1.390 19.336 5.813) 20.238 ======================= Grid point 526 (248/371) ======================= q-point: ( 0.31 0.08 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( 9.562 -0.817 -1.016) 9.651 1.443 ( 3.308 0.138 1.693) 3.718 1.453 ( 10.823 8.088 0.862) 13.539 1.865 ( 6.262 7.552 4.943) 10.985 2.143 ( 7.811 7.750 -0.505) 11.015 2.191 ( 3.742 7.134 -0.957) 8.112 2.626 ( 3.972 -3.159 0.442) 5.094 3.837 ( 9.698 -17.320 -4.131) 20.275 4.085 ( -1.568 2.609 0.160) 3.049 8.653 ( -6.144 -36.807 -2.417) 37.395 9.935 ( 11.722 6.306 -2.413) 13.527 10.490 ( -27.171 10.123 -13.339) 31.916 10.863 ( 9.700 -5.822 7.426) 13.532 11.252 ( -23.596 -0.935 0.566) 23.621 12.417 ( 7.017 24.422 4.965) 25.891 ======================= Grid point 527 (249/371) ======================= q-point: ( 0.38 0.08 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.266 ( 4.605 17.362 -1.680) 18.041 1.542 ( 10.389 -2.575 1.218) 10.772 1.677 ( 14.848 -3.489 1.415) 15.318 1.908 ( 4.104 4.780 6.053) 8.736 2.099 ( 3.374 8.164 -0.336) 8.840 2.176 ( 4.387 3.742 -0.691) 5.808 2.701 ( 2.853 -0.878 0.189) 2.991 3.963 ( -1.799 1.549 -4.397) 4.997 4.160 ( 4.702 -8.897 0.371) 10.070 9.063 ( -10.970 -38.481 -0.986) 40.026 9.955 ( -3.629 1.049 -5.804) 6.925 10.067 ( -4.285 3.314 -4.114) 6.802 10.919 ( -26.280 -1.104 -0.655) 26.311 11.179 ( 17.818 -4.264 7.230) 19.696 12.183 ( 8.826 28.902 2.781) 30.348 ======================= Grid point 528 (250/371) ======================= q-point: ( 0.46 0.08 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( 7.724 15.321 -3.625) 17.536 1.701 ( 7.908 0.979 1.855) 8.181 1.897 ( 1.920 6.509 4.138) 7.948 1.938 ( 11.707 -5.863 -2.050) 13.252 2.029 ( 1.140 4.605 -0.665) 4.790 2.175 ( 4.010 4.685 -0.189) 6.170 2.736 ( 2.455 0.645 -0.697) 2.632 3.882 ( -0.884 4.182 -0.306) 4.286 4.285 ( -0.014 -3.869 -0.371) 3.887 9.309 ( -13.278 -21.972 -1.336) 25.708 9.821 ( -11.608 -6.988 -2.121) 13.714 10.202 ( 6.796 -15.515 -1.430) 16.999 10.559 ( -27.887 -1.398 0.187) 27.922 11.524 ( 22.853 0.751 1.640) 22.924 11.917 ( 10.261 29.502 1.392) 31.267 ======================= Grid point 529 (251/371) ======================= q-point: (-0.46 0.08 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( 11.286 8.042 -6.187) 15.176 1.678 ( -6.515 5.139 3.649) 9.065 1.861 ( 3.850 7.370 -3.223) 8.918 1.990 ( 6.691 4.829 2.885) 8.741 2.134 ( 4.165 0.673 -3.639) 5.572 2.170 ( 6.207 -1.624 -4.802) 8.014 2.744 ( 1.843 1.242 -2.155) 3.096 3.833 ( 0.340 4.585 5.223) 6.958 4.264 ( -4.436 1.741 -0.052) 4.766 9.327 ( -17.767 -10.750 2.667) 20.936 9.773 ( -9.848 -8.774 -2.155) 13.365 10.227 ( -17.062 1.634 -0.064) 17.140 10.586 ( 0.221 -30.799 0.418) 30.803 11.605 ( 15.125 24.713 -8.882) 30.305 11.865 ( 18.867 6.275 3.030) 20.113 ======================= Grid point 530 (252/371) ======================= q-point: (-0.38 0.08 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( 13.159 -0.993 -7.819) 15.338 1.517 ( -7.000 5.842 3.238) 9.675 1.742 ( -1.437 8.832 -2.864) 9.395 2.039 ( 5.936 4.758 -1.196) 7.701 2.094 ( 1.832 5.464 0.161) 5.765 2.235 ( 7.078 1.328 -10.401) 12.651 2.729 ( 0.686 1.027 -3.459) 3.673 3.804 ( -4.053 5.521 10.994) 12.952 4.147 ( -3.884 4.066 -1.180) 5.745 9.058 ( -38.809 -3.619 3.459) 39.130 9.834 ( 2.935 -10.343 0.173) 10.753 10.104 ( 0.857 2.169 3.196) 3.956 11.011 ( -2.790 -32.005 -0.341) 32.128 11.435 ( 11.772 16.605 -9.525) 22.473 12.034 ( 18.606 7.406 -4.384) 20.500 ======================= Grid point 531 (253/371) ======================= q-point: (-0.31 0.08 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( 3.016 -2.215 -5.884) 6.973 1.427 ( 5.038 1.557 3.213) 6.175 1.559 ( -3.050 10.698 -1.692) 11.252 1.947 ( -3.275 4.672 -7.201) 9.187 2.075 ( 2.815 5.192 2.702) 6.495 2.238 ( 12.742 9.651 -6.174) 17.135 2.681 ( -1.538 1.714 -5.609) 6.063 3.623 ( -15.487 11.479 11.359) 22.375 4.106 ( 2.759 -0.031 -1.287) 3.045 8.518 ( -40.414 0.903 1.689) 40.459 10.041 ( 10.034 1.958 1.334) 10.310 10.265 ( 9.415 -12.829 13.210) 20.682 11.250 ( 4.980 -0.867 -11.047) 12.149 11.476 ( -0.895 -22.224 -3.297) 22.485 12.125 ( 15.973 8.228 -7.019) 19.290 ======================= Grid point 532 (254/371) ======================= q-point: (-0.23 0.08 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( -5.931 6.547 1.336) 8.934 1.344 ( -3.706 12.114 1.525) 12.760 1.597 ( 3.257 -1.873 -1.123) 3.921 1.848 ( 4.484 -0.886 -1.706) 4.879 2.050 ( 3.056 6.955 3.499) 8.364 2.250 ( 14.329 11.724 -3.028) 18.760 2.567 ( -3.498 2.970 -8.516) 9.674 3.247 ( -19.868 15.299 8.555) 26.495 4.158 ( 2.899 -2.318 -2.358) 4.397 8.045 ( -28.439 -1.049 4.153) 28.760 10.091 ( 10.575 10.971 0.107) 15.238 10.625 ( 3.236 0.552 9.657) 10.199 11.371 ( 14.491 -18.697 -6.779) 24.608 11.776 ( -5.474 -27.586 -0.410) 28.127 12.186 ( 13.001 4.748 -5.137) 14.763 ======================= Grid point 533 (255/371) ======================= q-point: (-0.15 0.08 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( -5.100 8.948 7.120) 12.521 1.152 ( -2.388 12.422 5.386) 13.749 1.541 ( -3.360 1.119 -0.106) 3.543 1.975 ( 3.473 4.193 3.009) 6.221 2.041 ( 2.388 3.374 5.514) 6.891 2.264 ( 12.834 11.828 -0.936) 17.478 2.467 ( 0.327 -3.128 -8.751) 9.299 2.803 ( -17.938 14.156 3.986) 23.196 4.210 ( 1.692 -3.906 -4.266) 6.026 7.863 ( -9.779 -5.494 8.220) 13.907 9.934 ( 6.379 34.920 -5.863) 35.979 10.472 ( -8.033 4.765 -1.171) 9.413 11.821 ( 5.971 -12.663 0.227) 14.001 12.065 ( 1.289 -10.668 -3.714) 11.369 12.531 ( 14.884 -40.070 9.648) 43.820 ======================= Grid point 534 (256/371) ======================= q-point: (-0.08 0.08 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( -1.758 7.126 10.174) 12.545 1.008 ( -0.092 10.965 6.578) 12.787 1.561 ( -0.854 -5.645 6.387) 8.567 1.929 ( -6.611 7.719 1.428) 10.263 1.950 ( 7.036 8.718 0.636) 11.221 2.234 ( -1.193 11.467 -0.506) 11.540 2.356 ( 0.940 12.050 6.677) 13.809 2.709 ( 0.663 -14.790 -7.787) 16.728 4.275 ( -0.428 -8.099 -3.788) 8.951 8.007 ( 9.669 -7.014 7.649) 14.184 9.233 ( -4.085 54.603 -4.762) 54.962 10.412 ( -0.567 -1.167 0.332) 1.339 11.969 ( -0.275 -6.370 -0.117) 6.377 12.098 ( -0.609 -1.167 -4.742) 4.921 13.436 ( 1.781 -51.757 9.342) 52.624 ======================= Grid point 537 (257/371) ======================= q-point: ( 0.15 0.15 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( 10.258 0.000 -1.330) 10.344 1.297 ( 0.578 0.000 -0.285) 0.645 1.409 ( 16.123 0.000 3.162) 16.430 2.170 ( -2.494 -0.000 -9.585) 9.904 2.253 ( 9.735 0.000 -0.086) 9.736 2.407 ( 1.907 0.000 5.818) 6.122 2.662 ( 18.855 0.000 0.755) 18.871 2.884 ( 8.583 0.000 -2.078) 8.831 4.177 ( -1.199 -0.000 0.384) 1.259 7.881 ( -10.310 -0.000 -1.373) 10.401 10.071 ( 34.829 0.000 -7.790) 35.689 10.317 ( -5.097 -0.000 -0.383) 5.112 11.462 ( -42.435 -0.000 -8.410) 43.261 11.524 ( -18.202 -0.000 0.679) 18.215 12.898 ( -3.744 -0.000 7.478) 8.363 ======================= Grid point 538 (258/371) ======================= q-point: ( 0.23 0.15 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( 10.417 1.049 -2.251) 10.709 1.390 ( 9.654 -1.991 0.767) 9.887 1.623 ( 13.862 2.511 1.645) 14.183 2.084 ( 2.622 5.222 -2.777) 6.470 2.319 ( 6.114 5.757 -0.223) 8.401 2.505 ( 3.807 -3.097 2.356) 5.444 2.636 ( 11.179 20.258 -0.048) 23.138 3.266 ( 11.481 -23.215 -1.897) 25.968 4.153 ( -1.016 1.735 0.413) 2.052 7.853 ( -9.605 -17.381 -2.240) 19.984 10.151 ( 2.329 8.540 -1.584) 8.993 10.530 ( 10.407 -7.098 -14.415) 19.143 10.827 ( -27.174 3.092 3.016) 27.516 11.247 ( -22.898 0.102 0.691) 22.908 12.891 ( 3.852 9.198 7.065) 12.221 ======================= Grid point 539 (259/371) ======================= q-point: ( 0.31 0.15 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.481 ( 11.005 -0.285 -2.103) 11.208 1.548 ( 9.788 0.799 -0.054) 9.821 1.735 ( 13.058 6.479 0.300) 14.580 2.075 ( 6.550 6.416 2.856) 9.603 2.307 ( 5.313 5.895 -0.936) 7.991 2.459 ( 5.140 16.571 1.516) 17.416 2.647 ( 4.655 -2.265 0.799) 5.238 3.686 ( 9.003 -18.378 -3.771) 20.810 4.116 ( 0.117 2.759 1.689) 3.237 8.051 ( -8.666 -30.487 -1.818) 31.747 10.047 ( -8.092 3.722 -2.520) 9.257 10.140 ( -20.821 2.149 -11.619) 23.940 10.899 ( -27.445 0.033 1.652) 27.494 11.081 ( 24.544 -3.328 7.772) 25.960 12.816 ( 5.481 16.276 4.116) 17.660 ======================= Grid point 540 (260/371) ======================= q-point: ( 0.38 0.15 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( 3.341 9.756 0.915) 10.353 1.688 ( 13.432 -0.559 -4.485) 14.172 1.868 ( 12.871 1.722 -0.257) 12.988 2.085 ( 5.528 7.083 2.845) 9.424 2.269 ( 1.525 9.197 0.524) 9.337 2.346 ( 6.857 10.020 1.150) 12.196 2.735 ( 3.446 -1.294 0.825) 3.773 3.921 ( 4.539 -5.421 -5.702) 9.083 4.143 ( 2.764 -2.212 4.394) 5.643 8.393 ( -8.404 -36.343 -1.021) 37.316 9.719 ( -19.025 -0.280 -5.347) 19.764 10.026 ( -4.287 -3.173 -2.281) 5.801 10.508 ( -30.202 -1.254 0.310) 30.229 11.522 ( 27.221 -0.370 8.822) 28.617 12.648 ( 6.171 21.565 0.284) 22.432 ======================= Grid point 541 (261/371) ======================= q-point: ( 0.46 0.15 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( 6.460 13.977 -0.827) 15.420 1.795 ( 1.969 1.542 -0.665) 2.588 1.991 ( 7.106 -1.223 -4.629) 8.568 2.085 ( 7.289 7.302 -0.444) 10.327 2.167 ( 4.628 8.207 3.019) 9.893 2.339 ( 7.257 7.690 -0.297) 10.578 2.782 ( 2.639 0.860 -0.132) 2.779 3.958 ( 4.410 3.512 -0.560) 5.665 4.236 ( 0.061 -3.037 1.752) 3.507 8.761 ( -8.405 -32.250 0.363) 33.329 9.485 ( -20.617 -6.476 -1.730) 21.679 10.045 ( -3.746 -10.301 -1.400) 11.050 10.154 ( -24.633 -4.304 -0.239) 25.007 11.912 ( 24.848 3.305 5.410) 25.644 12.408 ( 6.816 24.372 -3.168) 25.505 ======================= Grid point 542 (262/371) ======================= q-point: (-0.46 0.15 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.314 ( 10.534 12.410 -5.497) 17.181 1.702 ( -6.255 6.384 5.736) 10.620 1.952 ( -0.374 6.663 -3.720) 7.640 2.136 ( 6.196 0.327 -3.867) 7.311 2.237 ( 13.964 4.447 -1.630) 14.746 2.317 ( 6.591 7.993 -0.641) 10.380 2.781 ( 1.325 2.332 -1.728) 3.191 3.957 ( 2.487 5.891 4.572) 7.861 4.230 ( -2.830 1.250 -0.386) 3.118 8.897 ( -26.036 -9.896 5.764) 28.443 9.370 ( -12.510 -21.342 -4.297) 25.109 10.000 ( -10.126 -7.806 0.239) 12.788 10.213 ( -2.801 -21.757 -0.109) 21.937 12.052 ( 11.600 21.119 -9.623) 25.945 12.251 ( 15.808 10.283 2.589) 19.035 ======================= Grid point 543 (263/371) ======================= q-point: (-0.38 0.15 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( 11.392 6.523 -8.904) 15.863 1.585 ( -1.784 7.448 7.761) 10.904 1.809 ( -2.845 8.222 -2.190) 8.971 2.133 ( 3.802 6.107 -5.269) 8.917 2.255 ( 5.863 8.040 0.024) 9.951 2.411 ( 15.900 3.028 -3.910) 16.651 2.736 ( -0.921 2.714 -2.785) 3.996 3.879 ( -7.565 8.288 8.510) 14.083 4.163 ( 0.957 3.183 -2.547) 4.187 8.494 ( -40.418 -1.646 3.947) 40.644 9.633 ( 2.540 -23.681 1.418) 23.859 10.044 ( -2.527 -8.900 1.312) 9.345 10.546 ( -1.787 -30.016 0.100) 30.069 11.781 ( 6.964 22.129 -13.363) 26.773 12.363 ( 15.342 8.571 -2.433) 17.741 ======================= Grid point 544 (264/371) ======================= q-point: (-0.31 0.15 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( 4.361 4.466 -2.304) 6.653 1.561 ( 2.880 4.307 3.459) 6.230 1.636 ( -1.281 8.425 -1.200) 8.606 2.034 ( 4.432 10.399 -4.973) 12.350 2.243 ( 6.428 7.056 1.525) 9.666 2.548 ( 17.182 7.635 -3.214) 19.075 2.646 ( -3.322 2.606 -4.738) 6.346 3.614 ( -16.797 11.898 7.270) 21.830 4.151 ( 3.440 1.849 -1.948) 4.364 8.002 ( -34.532 -1.677 3.087) 34.710 10.057 ( 6.759 -18.287 5.739) 20.323 10.188 ( 1.738 -16.639 5.534) 17.621 10.940 ( -1.114 -28.503 -0.662) 28.532 11.503 ( 4.024 15.673 -16.160) 22.869 12.401 ( 11.840 9.143 -5.618) 15.979 ======================= Grid point 545 (265/371) ======================= q-point: (-0.23 0.15 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( 0.942 8.897 5.023) 10.260 1.418 ( -6.541 7.974 3.892) 11.024 1.641 ( 2.654 2.658 -1.811) 4.170 1.970 ( 7.662 5.574 -1.852) 9.654 2.243 ( 6.554 7.956 1.531) 10.421 2.489 ( -5.554 4.433 -4.873) 8.617 2.663 ( 20.094 11.724 -3.780) 23.569 3.205 ( -21.372 14.010 4.666) 25.977 4.163 ( 1.977 0.372 -2.207) 2.986 7.707 ( -16.745 -5.359 4.523) 18.154 10.229 ( 2.895 -4.230 1.434) 5.323 10.686 ( 4.636 -16.512 13.995) 22.136 11.164 ( 1.136 -12.191 -11.780) 16.991 11.412 ( -0.243 -16.571 -5.634) 17.504 12.383 ( 7.775 7.317 -5.748) 12.125 ======================= Grid point 546 (266/371) ======================= q-point: (-0.15 0.15 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( -1.529 11.045 7.505) 13.441 1.295 ( -2.138 6.804 8.775) 11.308 1.554 ( -0.825 6.232 -3.553) 7.221 2.039 ( 0.899 -2.262 3.683) 4.415 2.190 ( 0.659 9.296 1.716) 9.476 2.349 ( -0.322 0.758 -9.474) 9.510 2.671 ( -4.673 19.081 -1.676) 19.716 2.808 ( 5.236 10.860 3.137) 12.457 4.166 ( 0.270 -0.930 -3.046) 3.196 7.766 ( 5.425 -9.660 4.677) 12.026 10.331 ( 4.229 -2.514 1.512) 5.147 10.471 ( -7.767 30.174 -6.194) 31.768 11.645 ( -2.753 -19.269 -0.448) 19.470 11.679 ( 2.268 -41.416 3.854) 41.657 12.385 ( 2.969 -4.490 -2.843) 6.087 ======================= Grid point 547 (267/371) ======================= q-point: (-0.08 0.15 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( -0.486 8.082 7.764) 11.218 1.216 ( 0.673 11.800 7.860) 14.194 1.495 ( -1.213 -3.389 -2.324) 4.284 1.965 ( -5.239 7.961 1.401) 9.633 2.166 ( 3.142 1.824 4.980) 6.165 2.248 ( -11.280 10.959 -0.012) 15.727 2.350 ( -4.046 -8.113 -9.602) 13.206 2.876 ( 21.212 16.532 3.097) 27.072 4.165 ( -1.038 -2.710 -3.016) 4.185 8.114 ( 19.941 -10.162 -0.632) 22.390 9.813 ( -8.427 40.641 -3.011) 41.614 10.428 ( 5.491 0.215 1.612) 5.727 11.828 ( -2.080 -12.862 0.606) 13.043 11.988 ( -6.091 -8.044 -2.071) 10.301 12.699 ( -11.797 -43.412 3.001) 45.087 ======================= Grid point 551 (268/371) ======================= q-point: ( 0.23 0.23 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( 11.578 0.000 -3.064) 11.977 1.521 ( 13.265 0.000 -2.019) 13.418 1.832 ( 11.891 0.000 1.029) 11.936 2.177 ( 6.004 0.000 0.982) 6.084 2.446 ( 5.429 0.000 -1.640) 5.672 2.523 ( 2.696 0.000 2.805) 3.890 2.937 ( -1.818 -0.000 -3.575) 4.011 3.225 ( 19.836 0.000 2.182) 19.956 4.164 ( 0.301 0.000 1.518) 1.547 7.598 ( -7.368 -0.000 -2.169) 7.681 10.105 ( -10.037 -0.000 -0.391) 10.045 10.175 ( -27.907 -0.000 -16.437) 32.387 10.906 ( -27.702 -0.000 0.653) 27.709 11.023 ( 28.469 0.000 10.649) 30.396 13.043 ( 3.720 0.000 4.664) 5.966 ======================= Grid point 552 (269/371) ======================= q-point: ( 0.31 0.23 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.619 ( 10.234 1.936 -3.774) 11.078 1.690 ( 12.035 -0.917 -5.464) 13.249 1.959 ( 9.386 2.656 0.292) 9.759 2.243 ( 4.862 3.510 3.274) 6.832 2.451 ( 4.652 5.482 -1.106) 7.274 2.622 ( 3.927 -1.981 2.984) 5.315 2.765 ( -0.878 11.225 -2.106) 11.455 3.604 ( 14.591 -12.247 0.218) 19.051 4.185 ( 2.698 1.995 3.371) 4.756 7.624 ( -4.167 -16.131 -1.460) 16.724 9.738 ( -22.324 0.787 -9.445) 24.253 9.959 ( -11.322 -1.458 -0.618) 11.433 10.495 ( -32.094 -0.001 0.132) 32.094 11.511 ( 29.870 -0.323 12.991) 32.574 13.052 ( 3.146 7.543 0.427) 8.184 ======================= Grid point 553 (270/371) ======================= q-point: ( 0.38 0.23 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.666 ( 5.735 5.351 -0.886) 7.893 1.786 ( 7.728 -0.202 -10.200) 12.799 2.040 ( 7.473 2.331 -0.965) 7.887 2.261 ( 4.606 5.082 3.040) 7.502 2.410 ( 2.190 7.676 -0.152) 7.984 2.590 ( 4.712 10.674 1.272) 11.737 2.758 ( 3.041 -2.811 1.070) 4.277 3.910 ( 11.021 -6.900 -1.752) 13.120 4.223 ( 3.414 2.617 4.940) 6.551 7.881 ( -1.286 -26.563 -0.503) 26.598 9.417 ( -19.731 -0.120 -3.379) 20.018 9.842 ( -11.542 -5.336 -0.709) 12.736 10.056 ( -31.888 -2.496 -0.972) 32.000 11.975 ( 26.226 1.519 13.566) 29.566 12.936 ( 2.834 13.338 -4.336) 14.308 ======================= Grid point 554 (271/371) ======================= q-point: ( 0.46 0.23 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( 5.439 9.090 -1.577) 10.710 1.786 ( -0.578 -0.094 -5.488) 5.519 2.069 ( 4.263 3.736 -2.070) 6.035 2.264 ( 3.736 6.881 1.131) 7.911 2.366 ( 7.987 5.004 0.939) 9.471 2.551 ( 6.607 8.350 -0.856) 10.682 2.819 ( 1.703 -0.133 0.376) 1.749 4.076 ( 8.859 0.836 -1.296) 8.993 4.250 ( 0.702 2.198 4.028) 4.642 8.277 ( 0.842 -29.589 0.921) 29.615 9.084 ( -29.040 -0.377 -0.355) 29.044 9.750 ( -19.114 -9.534 -0.067) 21.360 9.806 ( -10.547 -10.170 -1.838) 14.767 12.328 ( 20.039 4.672 9.948) 22.855 12.722 ( 2.659 17.162 -8.258) 19.230 ======================= Grid point 555 (272/371) ======================= q-point: (-0.46 0.23 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.552 ( 6.491 10.083 -6.678) 13.726 1.747 ( -1.711 3.141 6.945) 7.812 2.020 ( 0.956 6.712 -2.846) 7.353 2.242 ( 4.432 4.133 0.482) 6.080 2.466 ( 12.747 2.604 -2.113) 13.180 2.509 ( 5.378 8.311 -1.817) 10.065 2.810 ( -0.626 2.056 -1.061) 2.397 4.106 ( 1.733 7.762 3.214) 8.578 4.234 ( 1.354 2.045 -1.089) 2.684 8.456 ( -29.604 -2.438 4.962) 30.116 8.892 ( -2.863 -26.718 -3.379) 27.083 9.728 ( -8.599 -13.672 0.235) 16.154 9.870 ( -7.842 -18.396 -0.171) 19.998 12.376 ( 4.093 19.037 -10.889) 22.310 12.584 ( 12.077 7.913 3.584) 14.876 ======================= Grid point 556 (273/371) ======================= q-point: (-0.38 0.23 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.487 ( 8.004 8.726 -3.429) 12.327 1.728 ( 0.794 6.133 7.634) 9.824 1.891 ( -1.143 9.416 -1.297) 9.573 2.249 ( 4.289 4.242 -1.538) 6.225 2.451 ( 6.095 8.408 -1.544) 10.499 2.620 ( 13.092 -0.119 -2.830) 13.395 2.741 ( -2.532 3.384 -0.798) 4.301 3.939 ( -8.433 11.900 3.535) 15.008 4.231 ( 4.545 3.353 -2.779) 6.295 7.986 ( -34.378 1.212 2.048) 34.461 9.336 ( 6.869 -27.782 1.241) 28.645 9.846 ( -3.510 -14.074 0.487) 14.513 10.108 ( -4.929 -28.980 0.678) 29.404 12.041 ( 0.855 20.677 -14.909) 25.506 12.647 ( 9.866 8.416 0.132) 12.968 ======================= Grid point 557 (274/371) ======================= q-point: (-0.31 0.23 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( 7.386 8.427 3.438) 11.721 1.657 ( -3.401 8.811 4.648) 10.527 1.748 ( 0.402 7.381 -1.390) 7.522 2.214 ( 4.620 7.851 -2.519) 9.452 2.437 ( 7.306 6.362 -0.933) 9.732 2.605 ( -5.700 4.160 -1.972) 7.327 2.822 ( 13.646 -0.138 0.524) 13.657 3.612 ( -12.580 15.894 0.850) 20.288 4.221 ( 3.020 3.476 -2.422) 5.203 7.603 ( -20.737 -1.558 1.524) 20.851 9.834 ( 6.469 -29.065 5.249) 30.235 10.002 ( -1.612 -12.913 0.856) 13.041 10.508 ( -1.401 -33.197 0.362) 33.229 11.672 ( -1.032 19.401 -15.196) 24.665 12.624 ( 6.261 9.321 -3.480) 11.756 ======================= Grid point 558 (275/371) ======================= q-point: (-0.23 0.23 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( 2.921 11.378 6.350) 13.353 1.478 ( -5.439 9.046 6.447) 12.368 1.672 ( -1.145 2.232 -3.306) 4.150 2.132 ( 2.109 8.799 -2.431) 9.369 2.430 ( -7.081 6.808 -0.006) 9.823 2.449 ( 6.919 5.226 -3.520) 9.358 2.963 ( -3.541 0.517 3.062) 4.710 3.232 ( 3.661 20.414 -2.305) 20.867 4.190 ( 0.541 2.461 -1.993) 3.213 7.532 ( 1.610 -6.450 1.975) 6.936 10.144 ( -0.284 -9.824 1.193) 9.901 10.394 ( 2.158 -35.965 7.844) 36.873 10.927 ( 0.246 -26.345 -0.320) 26.348 11.307 ( -3.342 15.106 -13.081) 20.260 12.525 ( 1.457 8.926 -5.148) 10.407 ======================= Grid point 559 (276/371) ======================= q-point: (-0.15 0.23 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( -4.917 9.828 7.258) 13.169 1.410 ( -1.362 5.266 3.810) 6.641 1.596 ( -2.162 4.316 -1.293) 4.997 2.003 ( -5.355 3.588 -2.591) 6.947 2.225 ( -7.201 7.143 -0.862) 10.179 2.453 ( 7.892 6.419 -2.922) 10.584 2.604 ( -21.847 12.150 -0.692) 25.008 3.287 ( 23.954 13.189 1.856) 27.408 4.152 ( -0.744 1.022 -1.797) 2.197 7.825 ( 21.580 -9.767 0.153) 23.688 10.246 ( -3.075 -4.953 0.946) 5.907 10.753 ( -3.013 10.754 3.712) 11.768 11.076 ( -3.973 -30.783 -3.740) 31.263 11.347 ( -1.272 -24.422 -0.708) 24.465 12.366 ( -4.730 5.805 -5.432) 9.251 ======================= Grid point 560 (277/371) ======================= q-point: (-0.08 0.23 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.178 ( -0.779 6.625 6.469) 9.292 1.360 ( -4.260 -0.678 3.044) 5.280 1.466 ( -0.495 9.828 -2.168) 10.077 1.902 ( -11.504 -9.412 -2.706) 15.108 2.040 ( -4.725 7.682 -0.311) 9.024 2.202 ( -11.479 7.837 -0.013) 13.899 2.461 ( 8.442 6.847 -2.072) 11.065 3.426 ( 22.176 15.462 1.980) 27.106 4.126 ( -0.710 -0.259 -1.550) 1.724 8.305 ( 29.710 -7.340 -5.361) 31.069 10.045 ( -12.497 19.084 0.444) 22.816 10.607 ( 6.656 8.257 3.939) 11.314 11.416 ( -17.106 -32.501 -1.323) 36.751 11.678 ( -1.005 -22.607 2.165) 22.732 12.201 ( -11.109 -5.353 -5.467) 13.489 ======================= Grid point 565 (278/371) ======================= q-point: ( 0.31 0.31 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( 10.048 0.000 -5.263) 11.343 1.772 ( 8.191 0.000 -10.195) 13.078 2.064 ( 4.350 0.000 -0.599) 4.391 2.341 ( 2.802 0.000 4.121) 4.983 2.546 ( 4.045 0.000 -1.611) 4.354 2.676 ( 3.556 0.000 2.209) 4.187 2.784 ( -2.374 -0.000 -1.412) 2.762 3.769 ( 17.082 0.000 3.178) 17.376 4.274 ( 4.433 0.000 4.197) 6.105 7.491 ( 1.558 0.000 -0.401) 1.609 9.424 ( -17.279 -0.000 -5.876) 18.250 9.763 ( -14.617 -0.000 0.371) 14.622 10.022 ( -36.206 -0.000 -0.588) 36.210 11.996 ( 26.708 0.000 16.534) 31.412 13.121 ( 1.492 0.000 -4.518) 4.758 ======================= Grid point 566 (279/371) ======================= q-point: ( 0.38 0.31 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( 3.635 0.446 -9.946) 10.599 1.815 ( 6.528 4.000 -5.559) 9.462 2.113 ( 3.565 -0.993 -1.645) 4.050 2.383 ( 2.421 2.443 4.009) 5.282 2.539 ( 3.065 6.156 -0.268) 6.881 2.695 ( 0.533 -0.881 -2.462) 2.669 2.804 ( 4.221 1.395 2.854) 5.283 4.026 ( 13.899 -2.172 2.300) 14.254 4.342 ( 3.869 2.593 3.932) 6.096 7.643 ( 6.287 -13.231 0.745) 14.668 9.157 ( -18.616 3.629 -1.926) 19.064 9.539 ( -31.296 -5.183 -1.139) 31.743 9.592 ( -17.192 -4.715 -0.001) 17.826 12.413 ( 19.937 1.570 16.791) 26.113 13.049 ( 0.561 6.159 -9.268) 11.142 ======================= Grid point 567 (280/371) ======================= q-point: ( 0.46 0.31 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( 1.612 2.098 -7.203) 7.673 1.809 ( 5.138 4.447 -0.169) 6.797 2.150 ( 3.281 1.489 -2.489) 4.379 2.372 ( -0.811 3.944 2.572) 4.778 2.533 ( 7.344 3.829 0.706) 8.313 2.700 ( 4.357 3.620 -2.925) 6.375 2.836 ( 0.307 0.511 0.685) 0.908 4.215 ( 10.452 0.610 0.777) 10.498 4.345 ( 1.187 5.335 2.812) 6.146 8.007 ( 9.654 -21.378 1.838) 23.528 8.703 ( -31.763 7.133 -0.853) 32.565 9.348 ( -15.866 -13.276 -0.502) 20.694 9.484 ( -14.174 -10.499 -0.441) 17.644 12.685 ( 11.915 4.760 11.907) 17.504 12.868 ( 0.454 10.566 -11.213) 15.413 ======================= Grid point 568 (281/371) ======================= q-point: (-0.46 0.31 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.706 ( 5.164 5.576 -1.136) 7.684 1.837 ( 3.554 2.646 4.321) 6.189 2.118 ( 0.958 6.234 -1.311) 6.442 2.322 ( -0.677 1.841 0.416) 2.005 2.612 ( 7.087 1.299 -0.613) 7.231 2.677 ( 6.303 6.272 -3.092) 9.414 2.809 ( -2.059 1.498 -0.471) 2.589 4.241 ( -1.483 9.503 1.038) 9.674 4.318 ( 6.378 2.926 -0.603) 7.043 8.100 ( -28.680 7.031 1.094) 29.549 8.566 ( 10.604 -26.567 -0.107) 28.605 9.386 ( -10.717 -17.442 1.301) 20.512 9.495 ( -10.468 -16.619 -1.333) 19.686 12.555 ( -1.109 15.716 -13.982) 21.065 12.847 ( 7.155 6.011 7.676) 12.093 ======================= Grid point 569 (282/371) ======================= q-point: (-0.38 0.31 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.716 ( 7.773 7.683 4.046) 11.654 1.858 ( 1.666 5.079 5.370) 7.576 1.991 ( -3.508 8.848 0.520) 9.533 2.314 ( 1.412 0.181 -1.827) 2.316 2.612 ( 4.380 5.705 -2.763) 7.705 2.706 ( 0.172 2.612 -1.330) 2.937 2.775 ( 4.032 -0.452 0.991) 4.176 4.033 ( -4.423 13.945 -1.178) 14.677 4.333 ( 3.943 4.436 -1.702) 6.175 7.654 ( -20.068 5.626 -0.368) 20.845 9.114 ( 12.637 -24.920 1.564) 27.985 9.557 ( -6.244 -24.286 1.142) 25.102 9.631 ( -7.360 -22.292 -0.847) 23.491 12.206 ( -2.383 18.414 -14.297) 23.434 12.864 ( 4.170 7.786 3.229) 9.404 ======================= Grid point 570 (283/371) ======================= q-point: (-0.31 0.31 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.722 ( 1.171 8.456 6.682) 10.841 1.789 ( -1.276 10.812 5.857) 12.363 1.812 ( -1.916 7.633 -2.068) 8.137 2.308 ( 0.890 2.287 -2.334) 3.387 2.559 ( -0.878 5.012 -3.606) 6.237 2.627 ( 1.291 5.603 1.047) 5.844 2.876 ( -0.953 -4.930 2.154) 5.464 3.763 ( 1.024 17.718 -2.485) 17.920 4.288 ( 0.432 4.487 -2.236) 5.032 7.455 ( -0.097 1.335 -0.015) 1.339 9.560 ( 3.499 -24.153 1.750) 24.467 9.797 ( -0.201 -15.390 0.404) 15.396 9.994 ( -1.322 -37.545 0.316) 37.569 11.827 ( -3.004 19.501 -11.432) 22.804 12.787 ( 0.709 9.514 -0.814) 9.575 ======================= Grid point 571 (284/371) ======================= q-point: (-0.23 0.31 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( -11.427 7.187 2.197) 13.677 1.618 ( -4.789 10.723 3.184) 12.168 1.747 ( 4.074 8.987 1.557) 9.990 2.221 ( -2.639 7.024 -2.449) 7.893 2.410 ( -5.864 6.513 -0.797) 8.800 2.605 ( 4.106 4.515 -1.389) 6.258 2.800 ( -16.314 1.446 0.791) 16.397 3.650 ( 17.026 14.083 0.034) 22.096 4.208 ( -2.129 3.071 -2.001) 4.239 7.630 ( 22.132 -3.741 0.488) 22.451 9.950 ( -2.807 -30.164 1.097) 30.314 10.004 ( 1.703 -13.802 0.368) 13.912 10.499 ( 0.840 -33.958 0.508) 33.972 11.457 ( -3.331 20.152 -6.362) 21.393 12.610 ( -4.508 10.629 -3.429) 12.044 ======================= Grid point 572 (285/371) ======================= q-point: (-0.15 0.31 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( -14.671 1.263 -2.455) 14.928 1.441 ( -3.229 9.857 6.334) 12.153 1.661 ( -0.573 7.466 -0.292) 7.494 2.015 ( -5.920 11.199 -3.205) 13.067 2.237 ( -5.286 6.679 0.642) 8.541 2.444 ( -17.980 7.115 -0.434) 19.341 2.624 ( 4.747 5.425 -1.250) 7.316 3.770 ( 20.589 10.197 1.336) 23.014 4.136 ( -2.584 0.919 -1.414) 3.085 8.113 ( 36.330 -5.731 -1.228) 36.800 10.148 ( -0.644 -6.849 1.393) 7.018 10.361 ( -7.274 -34.901 -1.145) 35.669 10.935 ( 0.223 -27.880 0.314) 27.883 11.115 ( -3.467 18.203 -0.403) 18.535 12.337 ( -10.744 9.935 -4.359) 15.269 ======================= Grid point 573 (286/371) ======================= q-point: (-0.08 0.31 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( -10.725 -7.465 -2.069) 13.230 1.356 ( 0.669 6.212 7.200) 9.533 1.537 ( -3.781 4.522 -1.468) 6.075 1.759 ( -4.622 10.089 -2.850) 11.457 2.099 ( -3.626 6.954 1.822) 8.052 2.155 ( -7.589 4.329 0.048) 8.737 2.619 ( 4.805 4.317 -1.491) 6.630 3.894 ( 17.566 11.431 -0.287) 20.960 4.095 ( -2.189 -0.759 -0.971) 2.512 8.687 ( 39.368 -1.822 -4.995) 39.725 10.091 ( -8.392 9.371 0.250) 12.582 10.647 ( -15.409 -28.013 1.458) 32.004 10.876 ( 0.696 8.993 -0.988) 9.074 11.352 ( 0.984 -28.272 3.127) 28.461 12.013 ( -15.410 5.860 -4.141) 16.999 ======================= Grid point 579 (287/371) ======================= q-point: ( 0.38 0.38 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( 3.071 0.000 -7.541) 8.143 1.905 ( 6.309 0.000 -7.205) 9.577 2.128 ( 2.205 0.000 -0.853) 2.365 2.433 ( -1.994 -0.000 4.547) 4.965 2.654 ( 4.612 0.000 -0.353) 4.626 2.670 ( 3.291 0.000 -0.913) 3.415 2.864 ( 1.373 0.000 -0.043) 1.374 4.219 ( 12.373 0.000 3.374) 12.825 4.427 ( 2.689 0.000 2.297) 3.536 7.688 ( 11.626 0.000 1.848) 11.773 8.978 ( -36.059 -0.000 -2.154) 36.123 9.003 ( -11.379 -0.000 -1.349) 11.459 9.332 ( -17.433 -0.000 1.518) 17.499 12.746 ( 11.801 0.000 16.628) 20.390 13.021 ( -0.590 -0.000 -12.674) 12.687 ======================= Grid point 580 (288/371) ======================= q-point: ( 0.46 0.38 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.787 ( 5.973 1.590 -1.704) 6.412 1.917 ( 4.695 2.118 -4.527) 6.857 2.167 ( 2.171 -1.566 -1.875) 3.268 2.379 ( -6.797 2.052 3.708) 8.010 2.681 ( 5.864 3.217 0.684) 6.724 2.760 ( 5.157 -0.963 -1.138) 5.368 2.849 ( -0.608 1.806 -1.345) 2.332 4.377 ( 8.868 1.352 2.557) 9.327 4.433 ( 0.622 3.752 0.272) 3.812 7.965 ( 14.404 -11.527 2.433) 18.608 8.412 ( -27.803 10.860 -2.198) 29.929 8.970 ( -10.625 -13.150 -0.774) 16.924 9.148 ( -16.600 -6.828 1.052) 17.980 12.856 ( -0.877 5.633 -10.752) 12.170 12.966 ( 4.562 2.428 10.327) 11.548 ======================= Grid point 581 (289/371) ======================= q-point: (-0.46 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.841 ( 4.365 2.196 3.465) 5.990 1.959 ( 7.526 2.301 0.602) 7.893 2.179 ( -0.479 2.998 -0.884) 3.162 2.270 ( -7.073 -1.231 0.596) 7.204 2.711 ( 3.469 2.787 -0.342) 4.463 2.796 ( -1.150 2.778 -0.863) 3.128 2.812 ( 4.590 2.146 -1.143) 5.194 4.343 ( -0.915 8.180 -1.777) 8.421 4.449 ( 4.682 3.553 1.164) 5.992 7.909 ( -17.160 12.219 -1.648) 21.130 8.429 ( 15.040 -21.940 1.869) 26.666 9.009 ( -12.726 -12.950 1.912) 18.257 9.129 ( -7.361 -16.845 -1.949) 18.486 12.626 ( -2.735 11.296 -13.960) 18.165 13.035 ( 2.002 4.410 9.954) 11.070 ======================= Grid point 582 (290/371) ======================= q-point: (-0.38 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.881 ( -0.111 1.850 7.227) 7.461 2.008 ( 1.086 6.472 -2.001) 6.860 2.043 ( -1.931 7.367 6.381) 9.936 2.272 ( -0.090 -4.376 -3.149) 5.392 2.682 ( -0.495 3.653 -2.052) 4.219 2.745 ( 0.283 3.119 0.183) 3.137 2.814 ( 0.114 1.444 -0.639) 1.584 4.180 ( 0.735 12.319 -2.662) 12.625 4.425 ( 0.223 5.074 -0.293) 5.087 7.615 ( -0.260 10.059 -1.313) 10.148 8.986 ( 6.838 -31.980 1.479) 32.737 9.054 ( -5.131 -14.608 0.616) 15.495 9.324 ( -0.381 -18.755 -0.963) 18.783 12.321 ( -3.143 15.541 -11.135) 19.375 13.018 ( -0.036 6.958 5.621) 8.945 ======================= Grid point 583 (291/371) ======================= q-point: (-0.31 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( -12.058 8.236 1.946) 14.731 1.888 ( -1.924 6.419 5.173) 8.466 2.002 ( 2.866 8.527 1.701) 9.155 2.301 ( 0.051 -0.707 -1.578) 1.730 2.580 ( -3.264 5.368 -1.901) 6.564 2.687 ( -5.106 1.844 -1.295) 5.581 2.783 ( -2.329 0.055 0.477) 2.378 4.038 ( 7.665 13.348 -1.168) 15.437 4.322 ( -3.620 5.136 -1.387) 6.435 7.645 ( 20.728 4.985 -0.115) 21.319 9.190 ( -10.749 -26.416 -1.391) 28.553 9.578 ( 11.287 -28.768 0.951) 30.918 9.592 ( 3.291 -17.467 0.214) 17.776 11.994 ( -2.669 18.306 -6.164) 19.499 12.902 ( -3.507 10.032 1.612) 10.748 ======================= Grid point 584 (292/371) ======================= q-point: (-0.23 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( -15.394 9.251 -1.064) 17.991 1.756 ( -2.563 11.488 4.583) 12.632 1.908 ( -0.045 8.873 -0.304) 8.878 2.248 ( -3.064 4.966 -0.622) 5.869 2.426 ( -5.195 7.027 -1.050) 8.802 2.528 ( -14.704 0.090 -0.545) 14.715 2.754 ( 1.514 3.440 -0.421) 3.782 4.032 ( 13.830 9.502 0.701) 16.794 4.189 ( -5.273 3.258 -1.650) 6.414 8.025 ( 37.385 -0.277 0.444) 37.389 9.454 ( -6.838 -31.205 -3.120) 32.097 9.859 ( 4.206 -13.880 0.182) 14.504 10.100 ( 5.190 -28.979 0.822) 29.452 11.678 ( -1.972 20.206 -0.337) 20.305 12.660 ( -9.221 12.732 -1.156) 15.763 ======================= Grid point 585 (293/371) ======================= q-point: (-0.15 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( -15.758 7.101 -1.864) 17.384 1.603 ( -0.663 10.581 4.816) 11.645 1.757 ( -1.332 10.431 -1.336) 10.600 2.075 ( -5.494 10.132 -1.271) 11.595 2.251 ( -6.603 5.359 -0.055) 8.504 2.308 ( -11.944 4.242 1.340) 12.745 2.726 ( 2.320 3.681 -1.318) 4.546 4.083 ( -5.005 0.355 -1.392) 5.207 4.126 ( 13.638 6.219 0.239) 14.991 8.618 ( 44.270 -2.341 -0.978) 44.342 9.794 ( -4.942 -31.745 -4.471) 32.437 10.067 ( 2.904 -8.186 -0.272) 8.690 10.534 ( 0.528 -28.956 1.141) 28.983 11.375 ( -2.107 21.664 4.055) 22.141 12.297 ( -15.488 13.453 -1.766) 20.591 ======================= Grid point 586 (294/371) ======================= q-point: (-0.08 0.38 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.881 ( -8.215 -3.508 -0.527) 8.949 1.520 ( 0.724 6.238 4.601) 7.785 1.606 ( 3.115 11.098 0.313) 11.531 1.853 ( -3.698 9.846 0.395) 10.525 2.108 ( -6.349 2.933 -0.276) 6.999 2.142 ( -3.072 4.291 1.189) 5.410 2.700 ( 1.754 2.781 -1.596) 3.654 4.022 ( -4.480 -1.899 -1.317) 5.041 4.206 ( 10.401 6.357 -1.442) 12.275 9.230 ( 42.356 -0.181 -3.325) 42.486 10.024 ( -9.527 -12.632 -8.261) 17.849 10.145 ( -2.715 -6.352 2.054) 7.206 10.972 ( 1.235 -31.656 3.411) 31.863 11.103 ( 0.087 16.707 4.093) 17.201 11.872 ( -19.624 11.030 -0.336) 22.514 ======================= Grid point 593 (295/371) ======================= q-point: ( 0.46 0.46 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.919 ( 9.847 0.000 1.849) 10.019 1.929 ( 2.012 0.000 -7.075) 7.356 2.173 ( 0.829 0.000 0.684) 1.075 2.298 ( -9.756 -0.000 3.730) 10.445 2.761 ( 2.439 0.000 0.334) 2.462 2.813 ( 1.458 0.000 0.145) 1.465 2.863 ( 3.245 0.000 -1.515) 3.581 4.459 ( 0.046 0.000 -1.866) 1.867 4.502 ( 4.972 0.000 2.641) 5.630 8.094 ( 11.791 0.000 2.459) 12.045 8.177 ( -15.148 -0.000 -2.505) 15.354 8.752 ( -4.930 -0.000 -1.483) 5.148 8.890 ( -14.211 -0.000 1.881) 14.335 12.786 ( -2.714 -0.000 -13.794) 14.058 13.096 ( 1.065 0.000 12.703) 12.748 ======================= Grid point 594 (296/371) ======================= q-point: (-0.46 0.46 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.894 ( -0.020 0.767 -2.056) 2.195 2.068 ( 1.760 -3.888 -1.465) 4.512 2.181 ( -2.376 2.454 6.768) 7.581 2.188 ( -0.877 1.385 -0.480) 1.708 2.767 ( -0.078 1.959 0.046) 1.961 2.801 ( -0.369 0.975 -0.362) 1.103 2.882 ( 0.583 1.984 -0.913) 2.261 4.417 ( 0.884 4.594 -2.738) 5.421 4.535 ( 0.071 2.363 1.787) 2.963 7.947 ( -0.272 11.405 -1.904) 11.566 8.319 ( 0.346 -13.561 1.898) 13.697 8.793 ( 1.097 -7.228 0.864) 7.362 8.846 ( -0.580 -11.512 -0.948) 11.565 12.627 ( -3.273 5.970 -10.858) 12.816 13.152 ( -0.465 2.545 10.050) 10.378 ======================= Grid point 595 (297/371) ======================= q-point: (-0.38 0.46 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.882 ( -5.353 -0.675 4.189) 6.831 1.964 ( -9.097 1.084 -0.650) 9.185 2.159 ( -1.736 1.192 -1.335) 2.494 2.264 ( 7.803 1.380 2.376) 8.273 2.701 ( -3.210 3.921 -0.262) 5.074 2.779 ( -2.140 3.464 -1.388) 4.302 2.809 ( -2.489 1.419 -0.592) 2.926 4.342 ( 3.674 8.213 -1.797) 9.175 4.463 ( -4.562 4.408 0.585) 6.371 7.888 ( 17.694 11.848 -0.954) 21.316 8.465 ( -14.499 -22.782 0.519) 27.009 9.048 ( 15.485 -11.602 0.507) 19.356 9.095 ( 5.695 -17.443 -0.709) 18.363 12.412 ( -2.887 11.269 -5.927) 13.056 13.129 ( -2.090 6.034 6.381) 9.027 ======================= Grid point 596 (298/371) ======================= q-point: (-0.31 -0.54 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( -14.271 6.492 1.279) 15.730 1.942 ( -1.341 -0.679 3.886) 4.166 2.078 ( -3.117 3.974 -2.419) 5.600 2.325 ( 2.844 2.385 0.846) 3.807 2.563 ( -9.251 4.144 -0.640) 10.157 2.613 ( -5.893 6.185 -1.659) 8.702 2.809 ( 1.603 0.803 -0.079) 1.795 4.288 ( 6.281 8.619 -0.138) 10.665 4.310 ( -7.319 5.056 -0.631) 8.918 8.112 ( 33.521 6.693 0.170) 34.183 8.616 ( -12.886 -28.582 -1.556) 31.391 9.426 ( 7.910 -17.109 -0.431) 18.854 9.467 ( 14.528 -16.564 0.078) 22.033 12.178 ( -1.547 15.422 -0.149) 15.500 12.989 ( -6.375 10.450 2.604) 12.515 ======================= Grid point 597 (299/371) ======================= q-point: (-0.23 -0.54 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( -13.720 10.213 0.584) 17.114 1.892 ( -2.271 9.195 2.269) 9.739 1.979 ( -0.920 2.485 -1.818) 3.213 2.277 ( -3.201 5.250 0.607) 6.179 2.355 ( -11.262 3.872 0.972) 11.949 2.447 ( -5.112 6.597 -0.910) 8.395 2.810 ( 1.389 2.065 -0.540) 2.547 4.132 ( -8.607 3.310 -0.537) 9.237 4.284 ( 7.313 5.813 -0.355) 9.349 8.589 ( 40.606 0.423 0.710) 40.614 8.896 ( -4.921 -32.718 -4.109) 33.340 9.751 ( 8.504 -13.850 -0.376) 16.257 9.869 ( 8.279 -18.697 -0.341) 20.451 11.945 ( -0.589 18.875 4.806) 19.486 12.693 ( -12.807 14.394 0.038) 19.267 ======================= Grid point 598 (300/371) ======================= q-point: (-0.15 -0.54 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( -8.584 12.569 2.342) 15.400 1.724 ( -3.969 8.792 1.768) 9.808 1.923 ( 4.825 8.643 -0.650) 9.919 2.108 ( -7.399 7.664 -0.387) 10.660 2.179 ( -8.138 3.483 1.369) 8.957 2.284 ( -5.397 5.965 0.275) 8.049 2.782 ( 0.625 3.033 -1.349) 3.378 3.992 ( -7.868 0.098 -0.161) 7.870 4.314 ( 5.514 2.531 -1.230) 6.191 9.160 ( 32.934 -7.045 1.547) 33.715 9.310 ( 7.244 -28.392 -8.025) 30.381 10.030 ( 10.280 -8.485 -0.748) 13.350 10.206 ( 2.117 -21.172 0.400) 21.281 11.683 ( -2.229 22.255 6.249) 23.223 12.264 ( -18.255 16.137 0.414) 24.368 ======================= Grid point 599 (301/371) ======================= q-point: (-0.08 0.46 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.868 ( 0.434 8.684 0.224) 8.698 1.600 ( -2.396 4.785 4.421) 6.941 1.882 ( 8.172 11.024 1.216) 13.776 1.903 ( -4.380 6.686 -0.677) 8.022 2.057 ( -4.759 1.957 -0.139) 5.147 2.153 ( -3.785 3.629 0.625) 5.281 2.738 ( 0.461 2.507 -1.800) 3.121 3.909 ( -6.688 -2.436 -0.142) 7.119 4.339 ( 2.947 1.344 -1.794) 3.702 9.652 ( -0.361 -20.013 -3.566) 20.331 9.663 ( 23.838 -4.581 -5.163) 24.818 10.255 ( 17.194 3.204 -0.833) 17.509 10.576 ( 1.472 -29.696 2.186) 29.812 11.351 ( -5.227 20.233 1.741) 20.970 11.796 ( -18.486 15.678 4.417) 24.638 ======================= Grid point 607 (302/371) ======================= q-point: (-0.46 -0.46 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.860 ( -1.755 -0.000 -4.348) 4.689 1.940 ( -11.734 -0.000 1.487) 11.828 2.173 ( -1.910 -0.000 0.912) 2.116 2.310 ( 7.851 0.000 3.529) 8.608 2.767 ( -2.285 -0.000 0.100) 2.288 2.801 ( -0.325 -0.000 0.279) 0.428 2.857 ( -5.030 -0.000 -1.628) 5.287 4.460 ( 2.789 0.000 -2.018) 3.442 4.529 ( -4.866 -0.000 1.495) 5.091 8.121 ( -5.386 -0.000 1.182) 5.514 8.147 ( 8.480 0.000 -1.123) 8.554 8.749 ( 6.323 0.000 -1.379) 6.472 8.912 ( 14.471 0.000 0.973) 14.504 12.572 ( -3.137 -0.000 -5.688) 6.496 13.214 ( -1.368 -0.000 8.206) 8.319 ======================= Grid point 608 (303/371) ======================= q-point: (-0.38 -0.46 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.767 ( -13.458 0.370 1.634) 13.562 1.834 ( -3.783 -3.909 -2.077) 5.823 2.140 ( -2.473 1.140 0.037) 2.723 2.409 ( 6.256 2.390 1.796) 6.933 2.690 ( -6.108 3.677 -0.115) 7.130 2.737 ( -6.795 1.777 -1.346) 7.151 2.812 ( 0.926 -0.026 0.230) 0.954 4.422 ( -8.866 2.458 0.696) 9.226 4.468 ( 3.560 3.779 -0.973) 5.282 8.020 ( -14.705 -12.295 0.196) 19.169 8.366 ( 29.064 9.954 -0.406) 30.724 8.974 ( 11.231 -13.800 -1.148) 17.829 9.176 ( 17.137 -5.092 0.220) 17.879 12.479 ( -1.999 5.825 0.277) 6.164 13.195 ( -4.004 4.053 4.772) 7.431 ======================= Grid point 609 (304/371) ======================= q-point: (-0.31 -0.46 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( -13.858 2.803 1.339) 14.202 1.856 ( -3.731 -7.047 -0.062) 7.974 2.070 ( -3.420 3.086 -0.276) 4.614 2.427 ( 2.473 5.391 0.573) 5.959 2.517 ( -7.364 6.146 0.270) 9.596 2.612 ( -5.112 4.475 -0.433) 6.808 2.833 ( 1.205 -0.209 0.362) 1.275 4.239 ( -11.318 3.701 -0.040) 11.908 4.443 ( 2.568 5.168 -0.880) 5.838 8.079 ( -11.083 -23.050 -1.023) 25.597 8.697 ( 36.040 6.470 -0.518) 36.619 9.351 ( 14.428 -14.738 -0.757) 20.638 9.497 ( 14.999 -8.801 -0.616) 17.401 12.365 ( -0.442 11.018 5.699) 12.412 13.030 ( -9.639 9.247 0.727) 13.377 ======================= Grid point 610 (305/371) ======================= q-point: (-0.23 -0.46 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.348 ( -9.974 6.179 4.559) 12.588 1.892 ( -4.294 -5.226 -4.266) 7.997 1.965 ( -3.903 4.220 3.245) 6.600 2.322 ( -2.769 8.573 -1.026) 9.068 2.355 ( -3.957 7.097 0.792) 8.164 2.471 ( -4.310 6.755 1.286) 8.115 2.843 ( 0.611 1.006 -0.354) 1.230 4.032 ( -11.785 2.508 0.195) 12.050 4.393 ( 0.418 3.638 -1.565) 3.983 8.347 ( -3.635 -32.059 -1.544) 32.302 9.137 ( 33.233 -0.564 -2.502) 33.332 9.742 ( 16.494 -10.464 -0.243) 19.534 9.805 ( 12.634 -10.296 -1.266) 16.348 12.221 ( -1.055 15.978 8.718) 18.232 12.690 ( -15.450 13.786 -1.861) 20.790 ======================= Grid point 611 (306/371) ======================= q-point: (-0.15 -0.46 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( -2.296 9.761 6.798) 12.114 1.764 ( -6.122 6.279 -0.754) 8.802 1.944 ( -4.672 -4.039 -0.311) 6.184 2.124 ( -6.814 9.159 -1.137) 11.472 2.225 ( -0.909 7.006 0.488) 7.082 2.329 ( -0.575 9.223 0.381) 9.249 2.814 ( -0.316 2.404 -1.525) 2.865 3.869 ( -10.443 -0.461 1.626) 10.579 4.345 ( -1.701 0.340 -1.820) 2.514 8.831 ( 5.359 -36.601 -0.973) 37.004 9.531 ( 20.042 -5.162 -4.967) 21.284 10.000 ( 3.065 -10.449 -0.370) 10.896 10.205 ( 28.151 -6.163 -1.500) 28.857 11.949 ( -10.751 20.160 5.211) 23.434 12.265 ( -12.550 17.117 1.298) 21.264 ======================= Grid point 612 (307/371) ======================= q-point: (-0.08 -0.46 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( 3.651 13.798 -0.927) 14.303 1.633 ( -4.082 1.715 4.568) 6.361 1.867 ( -8.507 3.160 -1.797) 9.251 1.951 ( -4.957 0.179 0.435) 4.979 2.132 ( -3.081 3.172 0.997) 4.533 2.233 ( 8.628 10.875 -3.893) 14.418 2.763 ( -0.079 2.365 -2.133) 3.186 3.780 ( -7.848 -2.753 3.181) 8.905 4.316 ( -3.236 -2.247 -1.168) 4.110 9.399 ( 9.701 -25.881 -1.329) 27.671 9.760 ( 8.459 -4.577 -3.833) 10.354 10.167 ( -5.852 -19.031 0.075) 19.910 10.668 ( 31.767 -1.805 -3.645) 32.027 11.481 ( -16.749 18.931 1.557) 25.324 11.896 ( -7.040 20.546 3.968) 22.078 ======================= Grid point 621 (308/371) ======================= q-point: (-0.38 -0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( -13.563 -0.000 1.257) 13.621 1.737 ( -5.015 -0.000 -0.550) 5.045 2.110 ( -3.239 -0.000 0.157) 3.243 2.510 ( 4.255 0.000 1.032) 4.378 2.631 ( -6.493 -0.000 -0.480) 6.510 2.652 ( -5.523 -0.000 -0.259) 5.529 2.826 ( 0.752 0.000 0.802) 1.100 4.296 ( -12.301 -0.000 0.166) 12.302 4.523 ( 1.449 0.000 -1.223) 1.896 7.743 ( -12.685 -0.000 -0.375) 12.691 8.911 ( 36.674 0.000 0.531) 36.677 9.020 ( 13.250 0.000 -1.958) 13.394 9.377 ( 16.881 0.000 -0.296) 16.883 12.520 ( -0.715 -0.000 6.117) 6.158 13.162 ( -8.227 -0.000 0.768) 8.263 ======================= Grid point 622 (309/371) ======================= q-point: (-0.31 -0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( -11.178 0.566 4.296) 11.988 1.697 ( -6.208 -5.259 0.456) 8.149 2.054 ( -3.835 1.502 0.770) 4.191 2.516 ( -1.323 4.344 0.218) 4.546 2.520 ( -2.471 4.685 -1.526) 5.512 2.586 ( -3.762 0.705 1.294) 4.040 2.843 ( 0.437 -0.345 0.749) 0.934 4.096 ( -14.566 1.515 -0.441) 14.652 4.493 ( -1.513 2.651 -2.143) 3.729 7.685 ( -8.210 -13.637 -0.891) 15.942 9.170 ( 19.364 2.342 -2.303) 19.641 9.492 ( 33.174 -6.773 0.512) 33.862 9.618 ( 14.914 -3.200 -0.792) 15.274 12.524 ( -0.969 5.739 10.113) 11.669 12.964 ( -13.451 5.430 -4.081) 15.069 ======================= Grid point 623 (310/371) ======================= q-point: (-0.23 -0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.328 ( -6.560 1.361 8.769) 11.036 1.702 ( -6.436 -7.927 -1.434) 10.311 1.965 ( -5.656 3.601 1.918) 6.974 2.378 ( -5.380 7.306 -1.124) 9.143 2.400 ( -3.218 6.656 -1.498) 7.544 2.543 ( 0.967 4.894 2.543) 5.600 2.844 ( -0.746 -0.064 -1.229) 1.439 3.873 ( -14.905 0.446 0.268) 14.914 4.395 ( -4.183 3.068 -2.643) 5.822 7.898 ( -0.641 -27.522 -0.904) 27.544 9.404 ( 15.021 -3.526 -2.939) 15.707 9.835 ( 10.787 -3.155 -0.806) 11.268 10.044 ( 34.829 -4.662 -0.201) 35.140 12.384 ( -14.164 11.108 4.524) 18.560 12.663 ( -6.811 10.794 -0.794) 12.788 ======================= Grid point 624 (311/371) ======================= q-point: (-0.15 -0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( -0.979 2.411 9.074) 9.439 1.693 ( -5.777 -3.656 -4.291) 8.071 1.821 ( -9.504 2.588 2.258) 10.106 2.152 ( -7.341 10.463 -1.822) 12.911 2.250 ( -6.281 5.119 0.902) 8.152 2.500 ( 4.771 7.859 -2.179) 9.449 2.813 ( -1.139 0.711 -2.666) 2.985 3.708 ( -12.500 -2.806 3.833) 13.372 4.283 ( -5.583 0.821 -2.137) 6.034 8.405 ( 8.216 -38.394 -0.472) 39.266 9.627 ( 10.877 -4.894 -2.114) 12.113 9.962 ( 3.227 -1.089 -0.698) 3.476 10.568 ( 33.465 -4.017 -2.374) 33.789 11.922 ( -23.544 12.841 -4.136) 27.136 12.456 ( -1.504 17.728 5.658) 18.670 ======================= Grid point 625 (312/371) ======================= q-point: (-0.08 -0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( 2.980 10.869 -0.715) 11.293 1.582 ( -6.415 -0.454 1.467) 6.596 1.715 ( -9.961 -3.995 -2.594) 11.042 1.931 ( -4.825 5.985 0.801) 7.729 2.116 ( -5.746 2.840 1.644) 6.617 2.418 ( 3.281 7.162 -9.384) 12.252 2.770 ( -0.362 1.267 -3.081) 3.351 3.662 ( -7.615 -4.755 8.738) 12.528 4.204 ( -5.997 -2.351 -1.140) 6.542 9.113 ( 13.490 -40.514 -0.932) 42.711 9.805 ( 7.851 -2.901 0.433) 8.381 9.908 ( -11.295 1.767 -0.553) 11.446 11.012 ( 25.815 -2.231 -5.711) 26.533 11.472 ( -11.260 9.441 -1.609) 14.782 12.156 ( -4.313 23.774 2.691) 24.311 ======================= Grid point 635 (313/371) ======================= q-point: (-0.31 -0.31 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( -7.864 -0.000 8.283) 11.421 1.567 ( -8.251 -0.000 2.238) 8.549 2.016 ( -4.285 -0.000 1.283) 4.473 2.489 ( -6.059 -0.000 0.588) 6.087 2.516 ( -2.403 -0.000 -4.091) 4.744 2.584 ( 0.911 0.000 3.506) 3.622 2.842 ( -0.612 -0.000 -0.430) 0.747 3.881 ( -17.119 -0.000 -1.309) 17.169 4.453 ( -4.303 -0.000 -3.236) 5.384 7.493 ( -4.514 -0.000 -0.478) 4.539 9.354 ( 12.848 0.000 -2.807) 13.151 9.792 ( 13.610 0.000 -0.709) 13.629 9.978 ( 37.751 0.000 1.099) 37.767 12.540 ( -14.877 -0.000 3.735) 15.339 12.816 ( -5.272 -0.000 -1.526) 5.488 ======================= Grid point 636 (314/371) ======================= q-point: (-0.23 -0.31 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( -5.362 -0.781 9.879) 11.268 1.500 ( -9.158 -5.655 1.972) 10.943 1.940 ( -5.819 2.669 1.070) 6.490 2.378 ( -6.215 4.505 1.263) 7.780 2.398 ( -6.622 4.636 -3.892) 8.971 2.615 ( -0.430 0.203 3.521) 3.553 2.825 ( 0.875 0.936 -3.050) 3.308 3.637 ( -17.769 -1.793 -0.831) 17.879 4.347 ( -5.354 2.408 -3.298) 6.734 7.584 ( 1.268 -17.495 0.225) 17.542 9.529 ( 12.393 -1.905 -1.026) 12.581 9.960 ( 10.636 0.147 -0.609) 10.654 10.488 ( 33.979 -1.502 0.325) 34.014 12.171 ( -25.765 4.856 -10.300) 28.169 12.794 ( 0.978 6.397 7.656) 10.025 ======================= Grid point 637 (315/371) ======================= q-point: (-0.15 -0.31 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.321 ( -4.037 -2.747 7.064) 8.588 1.485 ( -8.859 -8.433 0.483) 12.240 1.784 ( -7.595 6.748 -0.816) 10.192 2.166 ( -8.999 8.298 -3.039) 12.612 2.230 ( -7.225 5.273 1.938) 9.153 2.577 ( -4.779 3.154 0.100) 5.727 2.794 ( 1.253 1.734 -6.528) 6.870 3.485 ( -13.947 -7.515 4.790) 16.551 4.220 ( -4.389 3.002 -2.366) 5.820 8.010 ( 7.764 -34.131 0.326) 35.005 9.728 ( 11.184 -2.030 3.081) 11.777 10.036 ( 4.190 4.583 -0.716) 6.251 10.945 ( 29.089 -2.133 -1.810) 29.223 11.678 ( -21.410 5.620 -12.907) 25.624 12.699 ( -1.854 14.226 7.167) 16.036 ======================= Grid point 638 (316/371) ======================= q-point: (-0.08 -0.31 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( -3.003 -4.693 1.213) 5.702 1.473 ( -9.148 -7.249 -0.828) 11.701 1.556 ( -5.525 9.971 -2.773) 11.732 1.958 ( -3.607 4.648 -0.784) 5.935 2.082 ( -6.730 3.517 2.703) 8.060 2.389 ( -9.606 4.583 -8.351) 13.529 2.749 ( -0.161 -0.085 -6.294) 6.296 3.505 ( -10.442 -10.846 10.983) 18.636 4.129 ( -1.822 2.140 -1.406) 3.143 8.657 ( 6.129 -41.642 -2.038) 42.140 9.818 ( -8.066 6.045 4.302) 10.960 10.004 ( 11.795 5.466 3.501) 13.463 11.219 ( 6.638 3.244 -7.278) 10.371 11.467 ( 12.106 -3.803 -6.639) 14.321 12.428 ( -5.568 22.427 3.726) 23.407 ======================= Grid point 649 (317/371) ======================= q-point: (-0.23 -0.23 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( -5.753 -0.000 8.334) 10.126 1.335 ( -11.200 -0.000 3.634) 11.775 1.878 ( -6.854 -0.000 -0.281) 6.859 2.285 ( -10.702 -0.000 -4.896) 11.769 2.336 ( -6.894 -0.000 2.728) 7.414 2.579 ( -5.908 -0.000 3.833) 7.043 2.867 ( 4.003 0.000 -2.126) 4.532 3.344 ( -19.825 -0.000 -2.576) 19.991 4.283 ( -3.300 -0.000 -3.161) 4.570 7.495 ( 3.795 0.000 1.946) 4.265 9.700 ( 13.383 0.000 3.382) 13.803 10.103 ( 9.539 0.000 -0.340) 9.545 10.915 ( 29.095 0.000 0.276) 29.097 11.760 ( -24.419 -0.000 -17.823) 30.232 12.898 ( -0.595 -0.000 8.899) 8.918 ======================= Grid point 650 (318/371) ======================= q-point: (-0.15 -0.23 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( -10.119 -2.922 3.054) 10.966 1.276 ( -8.310 -5.278 5.361) 11.210 1.746 ( -7.130 3.029 -2.776) 8.229 2.073 ( -11.854 2.774 -3.320) 12.619 2.220 ( -7.715 4.361 3.498) 9.528 2.508 ( -9.366 1.664 4.704) 10.612 2.805 ( -2.240 6.646 -8.002) 10.640 3.170 ( -15.130 -12.253 2.186) 19.592 4.224 ( 0.422 3.048 -2.351) 3.872 7.731 ( 7.027 -20.689 2.708) 22.017 9.901 ( 8.161 1.147 7.392) 11.071 10.183 ( 7.222 4.885 0.198) 8.721 11.273 ( 19.502 0.780 -2.939) 19.738 11.384 ( -7.067 -1.768 -16.045) 17.621 12.867 ( -3.167 8.566 7.856) 12.047 ======================= Grid point 651 (319/371) ======================= q-point: (-0.08 -0.23 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( -9.116 -7.742 0.372) 11.966 1.259 ( -9.777 -5.609 3.026) 11.671 1.608 ( -1.690 3.702 -3.462) 5.343 1.907 ( -6.061 -0.763 -1.291) 6.244 2.073 ( -6.941 4.743 4.008) 9.313 2.269 ( -14.109 8.825 -0.337) 16.645 2.681 ( -2.073 -0.813 -8.249) 8.545 3.199 ( -14.892 -15.165 7.040) 22.390 4.186 ( 3.395 4.376 -1.830) 5.833 8.198 ( 2.356 -30.124 0.315) 30.218 9.806 ( -11.585 7.040 0.413) 13.562 10.305 ( 13.431 2.262 8.219) 15.908 11.264 ( 10.759 2.301 -8.882) 14.141 11.624 ( 19.658 -3.994 -3.357) 20.338 12.663 ( -4.949 19.064 5.430) 20.430 ======================= Grid point 663 (320/371) ======================= q-point: (-0.15 -0.15 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.058 ( -12.376 -0.000 5.356) 13.485 1.156 ( -9.070 -0.000 4.520) 10.133 1.630 ( -8.321 -0.000 -5.603) 10.032 1.923 ( -9.885 -0.000 1.594) 10.013 2.153 ( -9.818 -0.000 4.059) 10.624 2.448 ( -7.957 -0.000 7.010) 10.605 2.765 ( -18.950 -0.000 -3.213) 19.221 2.841 ( -3.045 -0.000 -4.690) 5.592 4.264 ( 3.963 0.000 -2.879) 4.898 7.712 ( 7.818 0.000 5.416) 9.510 9.949 ( -12.316 -0.000 -0.557) 12.328 10.306 ( 5.357 0.000 0.013) 5.357 11.299 ( 17.158 0.000 -6.167) 18.233 11.567 ( 18.861 0.000 -1.021) 18.889 12.944 ( -1.029 -0.000 8.107) 8.172 ======================= Grid point 664 (321/371) ======================= q-point: (-0.08 -0.15 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.959 ( -10.156 -4.412 5.371) 12.307 1.069 ( -12.247 -3.495 4.650) 13.558 1.520 ( -4.641 -4.440 -4.327) 7.744 1.851 ( -3.167 1.088 6.488) 7.301 2.029 ( -9.684 1.000 4.612) 10.772 2.259 ( -10.510 11.282 3.454) 15.801 2.574 ( -6.352 -4.002 -2.954) 8.068 2.837 ( -9.225 -9.778 -1.668) 13.546 4.284 ( 4.891 3.307 -3.674) 6.953 7.957 ( 4.407 -13.298 5.007) 14.877 9.575 ( -28.577 -2.014 -8.339) 29.837 10.400 ( 2.908 -4.471 0.626) 5.370 11.633 ( 28.718 7.220 5.136) 30.054 11.812 ( 16.436 -2.900 -1.026) 16.721 12.940 ( 8.368 15.573 8.277) 19.521 ======================= Grid point 677 (322/371) ======================= q-point: (-0.08 -0.08 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.839 ( -8.290 -0.000 8.137) 11.616 0.893 ( -14.000 -0.000 6.834) 15.579 1.444 ( 0.216 0.000 5.348) 5.352 1.880 ( -2.351 -0.000 7.635) 7.988 1.902 ( -10.602 -0.000 2.855) 10.980 2.287 ( -12.340 -0.000 8.559) 15.018 2.292 ( -11.728 -0.000 -2.563) 12.004 2.806 ( 11.752 0.000 -6.826) 13.591 4.363 ( 6.806 0.000 -4.241) 8.019 7.997 ( 6.209 0.000 7.296) 9.580 8.914 ( -47.922 -0.000 -6.468) 48.357 10.403 ( 1.962 0.000 -0.113) 1.965 11.934 ( 9.257 0.000 -1.706) 9.413 12.055 ( 13.219 0.000 3.658) 13.716 13.460 ( 37.118 0.000 10.336) 38.530 ======================= Grid point 678 (323/371) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( -0.000 -0.000 0.000) 0.000 0.915 ( -0.000 -0.000 0.000) 0.000 1.760 ( -0.000 -0.000 0.000) 0.000 1.783 ( -0.000 -0.000 0.000) 0.000 1.994 ( -0.000 -0.000 0.000) 0.000 2.085 ( 0.000 0.000 0.000) 0.000 2.086 ( -0.000 -0.000 0.000) 0.000 2.870 ( -0.000 -0.000 0.000) 0.000 4.485 ( -0.000 -0.000 0.000) 0.000 8.213 ( -0.000 -0.000 0.000) 0.000 8.236 ( -0.000 -0.000 0.000) 0.000 10.423 ( -0.000 -0.000 0.000) 0.000 12.025 ( -0.000 -0.000 0.000) 0.000 12.085 ( -0.000 -0.000 0.000) 0.000 14.312 ( -0.000 -0.000 0.000) 0.000 ======================= Grid point 680 (324/371) ======================= q-point: ( 0.08 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.949 ( 2.625 -3.638 -1.688) 4.793 0.962 ( 3.988 -5.447 -3.465) 7.588 1.694 ( -11.028 3.596 -2.769) 11.926 1.804 ( 3.773 -0.905 0.524) 3.915 1.960 ( 8.422 -6.198 -1.317) 10.540 2.091 ( 1.340 0.792 0.264) 1.579 2.419 ( 17.726 -15.102 -3.758) 23.588 2.734 ( -9.829 10.988 3.716) 15.204 4.333 ( -7.067 8.860 1.499) 11.432 8.198 ( 3.677 2.513 -7.864) 9.038 8.668 ( 19.801 -33.417 0.657) 38.848 10.424 ( 0.185 -0.725 -0.012) 0.749 11.995 ( -4.588 0.168 0.089) 4.592 12.077 ( 0.824 3.690 2.083) 4.317 13.895 ( -26.781 28.862 -2.499) 39.453 ======================= Grid point 681 (325/371) ======================= q-point: ( 0.15 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.058 ( 5.305 -5.348 -1.444) 7.671 1.098 ( 5.372 -7.603 -6.020) 11.087 1.524 ( -7.575 0.219 3.591) 8.386 1.884 ( 4.639 -1.373 0.555) 4.869 2.079 ( 0.174 1.180 -3.318) 3.526 2.155 ( 3.153 -1.379 -5.562) 6.540 2.417 ( -6.156 10.066 6.450) 13.447 2.908 ( 19.956 -18.826 -4.271) 27.765 4.188 ( -2.724 4.349 2.731) 5.813 8.214 ( 9.984 -1.555 -10.344) 14.460 9.375 ( 10.922 -28.782 4.062) 31.052 10.482 ( 3.535 -5.172 -0.016) 6.264 11.869 ( -10.624 5.607 -2.294) 12.230 11.993 ( -7.548 5.108 3.088) 9.623 12.962 ( -27.385 39.051 -4.587) 47.916 ======================= Grid point 682 (326/371) ======================= q-point: ( 0.23 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( 6.385 -2.748 0.330) 6.959 1.223 ( 2.186 -8.357 -2.610) 9.024 1.525 ( -3.738 -1.335 6.633) 7.730 1.864 ( -5.983 11.850 0.266) 13.278 1.962 ( 2.963 -1.800 -0.075) 3.467 2.093 ( 0.969 2.149 -2.413) 3.373 2.501 ( 5.921 -4.123 3.873) 8.189 3.402 ( 18.662 -18.178 -6.828) 26.932 4.132 ( -1.770 2.490 1.462) 3.386 8.440 ( 19.614 -10.449 -7.115) 23.335 9.734 ( -2.216 -13.821 2.683) 14.253 10.636 ( 2.785 -7.794 -2.975) 8.795 11.356 ( -28.058 21.107 -4.216) 35.363 11.821 ( -15.865 -1.431 3.925) 16.406 12.302 ( 0.970 29.778 0.580) 29.799 ======================= Grid point 683 (327/371) ======================= q-point: ( 0.31 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( -2.352 11.044 4.317) 12.089 1.378 ( 4.559 -8.259 2.139) 9.673 1.437 ( 0.038 -1.324 -0.036) 1.325 1.867 ( 4.224 -0.570 12.591) 13.292 1.998 ( 0.573 -0.185 -1.322) 1.453 2.078 ( 1.932 0.263 -2.567) 3.224 2.629 ( 3.146 -2.425 2.274) 4.577 3.801 ( 13.008 -13.370 -9.025) 20.722 4.079 ( -1.402 1.561 0.407) 2.138 8.944 ( 27.178 -18.956 -2.090) 33.202 9.796 ( -7.467 -5.892 -1.486) 9.627 10.443 ( -17.602 10.790 -15.622) 25.890 11.000 ( -2.926 -0.268 10.742) 11.136 11.638 ( -19.508 -2.942 5.603) 20.509 11.984 ( 6.210 28.239 1.804) 28.970 ======================= Grid point 684 (328/371) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.010 ( -3.650 14.721 4.155) 15.725 1.543 ( 4.102 -3.989 3.165) 6.539 1.601 ( 8.432 -8.554 1.047) 12.057 1.957 ( -3.243 -2.893 0.561) 4.382 2.016 ( 3.766 3.775 9.462) 10.861 2.095 ( 1.114 -0.531 -1.018) 1.600 2.687 ( 1.196 -0.503 1.300) 1.837 3.905 ( -1.490 -0.542 -7.027) 7.204 4.168 ( 7.363 -6.305 -1.436) 9.799 9.617 ( 32.516 -16.045 -0.425) 36.261 9.697 ( -12.898 -4.759 -2.693) 14.009 10.070 ( -9.951 2.256 -6.768) 12.244 11.058 ( -3.077 -3.152 4.189) 6.079 11.411 ( -13.012 9.271 3.575) 16.372 11.729 ( 0.987 16.545 4.813) 17.259 ======================= Grid point 685 (329/371) ======================= q-point: ( 0.46 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.839 ( -1.386 6.572 1.858) 6.969 1.641 ( 1.277 -1.561 2.514) 3.223 1.831 ( 9.471 -6.724 -4.273) 12.376 1.945 ( -1.883 -1.407 -0.962) 2.540 2.017 ( -3.522 5.036 9.038) 10.929 2.105 ( 0.480 -0.109 -0.541) 0.732 2.703 ( 0.339 0.100 0.402) 0.535 3.845 ( -1.296 0.387 -2.599) 2.930 4.300 ( 2.954 -2.598 -1.027) 4.066 9.569 ( -3.176 1.326 -1.740) 3.856 9.909 ( 0.206 2.068 -1.695) 2.682 10.327 ( 18.731 -23.756 0.332) 30.254 10.926 ( -21.171 7.618 3.546) 22.778 11.161 ( 6.536 11.955 -2.838) 13.917 11.636 ( -2.204 1.554 4.060) 4.874 ======================= Grid point 693 (330/371) ======================= q-point: ( 0.08 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 371 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( 6.591 0.000 -4.071) 7.746 1.008 ( 10.197 0.000 -3.741) 10.862 1.507 ( -11.838 -0.000 -1.468) 11.929 1.939 ( 11.328 0.000 -0.847) 11.359 2.005 ( 8.083 0.000 -4.681) 9.341 2.250 ( 11.017 0.000 1.478) 11.116 2.478 ( 15.066 0.000 -8.655) 17.375 2.665 ( -12.915 -0.000 6.338) 14.386 4.290 ( -7.499 -0.000 2.710) 7.974 8.111 ( -6.959 -0.000 -3.659) 7.863 8.932 ( 43.325 0.000 -6.001) 43.738 10.403 ( -1.678 -0.000 -0.099) 1.681 11.906 ( -9.161 -0.000 1.017) 9.217 12.097 ( -5.160 -0.000 -0.514) 5.185 13.578 ( -40.598 -0.000 -2.816) 40.696 ======================= Grid point 694 (331/371) ======================= q-point: ( 0.15 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( 8.197 -2.329 -4.374) 9.578 1.153 ( 11.167 -1.055 -4.132) 11.954 1.430 ( -2.235 -3.030 5.020) 6.275 1.992 ( 4.328 3.684 -6.446) 8.594 2.116 ( 6.481 -0.297 -4.960) 8.166 2.294 ( 11.256 13.102 -0.136) 17.274 2.482 ( -2.565 3.177 5.778) 7.075 2.869 ( 15.906 -18.838 -3.826) 24.950 4.214 ( -3.194 2.665 3.014) 5.137 8.064 ( -6.256 -12.003 -5.273) 14.526 9.504 ( 32.973 -2.947 -0.915) 33.117 10.413 ( -1.182 -6.103 -0.670) 6.253 11.730 ( -18.246 4.799 -2.157) 18.990 11.828 ( -25.544 2.464 -3.994) 25.972 13.004 ( -16.552 16.348 0.797) 23.278 ======================= Grid point 695 (332/371) ======================= q-point: ( 0.23 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( 7.755 -3.550 -2.157) 8.798 1.296 ( 9.687 -2.381 -0.792) 10.007 1.523 ( 2.542 0.380 5.026) 5.645 1.924 ( 2.583 4.625 -2.705) 5.948 2.132 ( 7.174 6.550 -1.003) 9.766 2.250 ( 9.669 13.567 0.703) 16.675 2.548 ( 3.748 -2.863 4.638) 6.614 3.332 ( 15.051 -19.822 -5.984) 25.598 4.153 ( -2.175 3.147 1.419) 4.080 8.234 ( -3.198 -26.293 -3.315) 26.693 9.816 ( 16.989 5.580 -0.495) 17.889 10.490 ( -4.444 -6.636 -8.564) 11.710 11.152 ( -27.186 8.879 0.743) 28.609 11.565 ( -20.036 -1.373 2.471) 20.235 12.701 ( 3.507 20.698 1.801) 21.071 ======================= Grid point 696 (333/371) ======================= q-point: ( 0.31 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( 7.871 -2.489 0.679) 8.283 1.462 ( 3.233 0.145 0.607) 3.292 1.496 ( 9.861 6.509 2.901) 12.167 1.943 ( 4.756 2.782 1.484) 5.706 2.137 ( 5.652 4.053 -2.259) 7.313 2.220 ( 8.208 11.545 7.054) 15.825 2.656 ( 2.865 -2.247 2.896) 4.652 3.704 ( 9.384 -14.524 -8.802) 19.403 4.101 ( 0.482 2.011 1.289) 2.437 8.629 ( -4.774 -38.365 0.268) 38.662 9.888 ( 10.841 7.929 -2.553) 13.671 10.191 ( -19.477 4.121 -14.449) 24.599 11.051 ( 2.921 -0.175 9.782) 10.210 11.321 ( -21.801 -3.975 6.306) 23.040 12.472 ( 6.836 25.058 0.122) 25.973 ======================= Grid point 697 (334/371) ======================= q-point: ( 0.38 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( 2.559 17.649 1.005) 17.862 1.583 ( 7.329 -5.106 1.999) 9.153 1.687 ( 12.751 -1.953 0.053) 12.900 1.948 ( 2.862 3.612 -0.942) 4.704 2.149 ( 4.512 3.157 -1.337) 5.667 2.213 ( 1.983 9.175 9.967) 13.692 2.718 ( 2.080 0.147 1.774) 2.738 3.836 ( 2.243 -3.003 -8.119) 8.942 4.178 ( 5.317 -4.314 1.281) 6.966 9.076 ( -12.251 -39.358 2.000) 41.269 9.858 ( -8.999 0.355 -4.014) 9.860 9.958 ( 7.928 0.691 -5.402) 9.618 10.926 ( -23.387 -0.441 2.445) 23.519 11.362 ( 10.886 0.150 8.872) 14.044 12.199 ( 7.202 27.850 -1.115) 28.788 ======================= Grid point 698 (335/371) ======================= q-point: ( 0.46 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( 4.620 17.817 -0.718) 18.420 1.718 ( 6.573 1.128 -1.673) 6.876 1.861 ( 7.957 -2.148 -2.867) 8.726 1.945 ( 2.733 1.255 0.995) 3.168 2.104 ( -3.880 8.250 5.876) 10.846 2.167 ( 4.068 4.840 -0.123) 6.324 2.733 ( 1.293 1.896 0.660) 2.388 3.850 ( 3.744 0.416 -3.021) 4.828 4.291 ( 1.441 -2.783 1.029) 3.299 9.338 ( -11.765 -21.818 3.570) 25.044 9.761 ( -9.936 -7.847 -2.967) 13.004 10.177 ( 7.013 -17.902 -0.979) 19.252 10.591 ( -28.885 -1.883 3.232) 29.126 11.523 ( 18.874 13.248 -1.666) 23.120 11.934 ( 8.514 22.738 -0.131) 24.280 ======================= Grid point 699 (336/371) ======================= q-point: (-0.46 0.08 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.926 ( 7.743 10.339 -4.866) 13.803 1.702 ( 2.090 6.745 -3.423) 7.848 1.833 ( -6.291 6.866 1.925) 9.509 1.982 ( 4.008 1.189 -6.191) 7.471 2.040 ( 5.903 3.407 1.345) 6.946 2.159 ( 3.537 4.020 -0.021) 5.354 2.718 ( 0.492 2.131 -0.095) 2.189 3.901 ( 4.831 0.318 1.409) 5.043 4.289 ( -4.513 1.748 2.493) 5.444 9.446 ( -13.642 -10.337 9.003) 19.340 9.719 ( -11.985 -11.690 -3.186) 17.043 10.236 ( -16.235 1.832 0.876) 16.361 10.593 ( -1.538 -31.303 0.098) 31.341 11.437 ( 12.549 23.407 -7.017) 27.470 11.876 ( 16.203 12.299 -2.331) 20.476 ======================= Grid point 700 (337/371) ======================= q-point: (-0.38 0.08 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.960 ( 11.176 -2.168 -7.310) 13.529 1.575 ( -2.973 8.519 1.677) 9.177 1.654 ( -0.826 8.883 -5.572) 10.518 1.929 ( 0.507 5.072 -7.372) 8.963 2.090 ( 7.133 3.907 0.859) 8.178 2.157 ( 4.911 4.831 -0.445) 6.903 2.686 ( -0.900 2.177 -0.581) 2.426 3.972 ( 1.719 0.599 5.026) 5.346 4.153 ( -8.701 5.719 2.330) 10.670 9.146 ( -41.382 -0.448 4.835) 41.666 9.885 ( 7.889 -12.339 5.094) 15.505 10.153 ( 2.260 -3.316 1.299) 4.218 11.002 ( -3.918 -31.201 -0.447) 31.449 11.241 ( 6.936 15.106 -9.183) 18.990 11.933 ( 18.310 11.132 -5.240) 22.060 ======================= Grid point 701 (338/371) ======================= q-point: (-0.31 0.08 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( 8.605 -6.488 -4.294) 11.601 1.479 ( 3.226 6.198 -0.548) 7.009 1.504 ( 1.140 6.188 -1.740) 6.529 1.795 ( 0.312 7.341 -6.331) 9.699 2.121 ( 2.366 4.142 1.053) 4.885 2.159 ( 11.509 8.393 -1.885) 14.369 2.612 ( -3.863 3.590 -1.224) 5.414 3.814 ( -17.215 11.383 7.402) 21.926 4.088 ( 2.336 -0.555 -0.318) 2.422 8.584 ( -39.406 1.274 4.744) 39.711 10.075 ( 9.331 5.810 1.647) 11.115 10.522 ( 14.550 -24.573 11.631) 30.836 11.007 ( 0.957 8.703 -11.676) 14.594 11.417 ( -2.600 -29.350 -3.155) 29.634 12.010 ( 16.147 7.960 -3.623) 18.363 ======================= Grid point 702 (339/371) ======================= q-point: (-0.23 0.08 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( -0.194 4.721 2.552) 5.370 1.362 ( 0.826 8.103 0.492) 8.160 1.539 ( 0.735 4.153 -5.367) 6.826 1.843 ( 12.990 -9.537 1.684) 16.203 2.069 ( 3.644 7.953 -1.641) 8.901 2.207 ( 12.697 8.592 -0.744) 15.349 2.459 ( -7.407 5.846 -2.229) 9.696 3.392 ( -22.034 15.361 5.174) 27.354 4.121 ( 1.289 -0.838 -1.066) 1.871 8.169 ( -27.248 -3.513 7.545) 28.491 10.073 ( 10.857 15.409 -1.726) 18.929 10.685 ( -6.907 11.289 -2.628) 13.493 11.350 ( 20.505 -33.312 3.625) 39.284 11.739 ( -2.472 -25.895 -3.182) 26.207 12.136 ( 12.779 -1.911 0.572) 12.934 ======================= Grid point 703 (340/371) ======================= q-point: (-0.15 0.08 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( -1.512 7.837 1.718) 8.165 1.250 ( -0.380 13.372 3.994) 13.961 1.506 ( 1.188 -5.056 -3.079) 6.038 1.989 ( 5.129 9.422 -0.844) 10.761 2.165 ( -2.829 1.254 6.871) 7.536 2.252 ( 12.653 10.797 -0.319) 16.636 2.298 ( 4.073 -10.054 -6.986) 12.902 2.884 ( -21.866 16.506 2.547) 27.515 4.148 ( 1.147 -2.855 -1.423) 3.390 8.030 ( -12.584 -8.423 7.421) 16.863 9.827 ( 5.307 38.489 -3.910) 39.049 10.453 ( -6.852 1.878 -0.976) 7.172 11.835 ( 2.491 -13.357 0.557) 13.598 11.984 ( 4.263 -5.721 -2.761) 7.650 12.683 ( 15.314 -46.788 4.686) 49.453 ======================= Grid point 704 (341/371) ======================= q-point: (-0.08 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 345 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( -0.000 6.169 0.000) 6.169 1.074 ( 0.000 11.807 0.000) 11.807 1.624 ( -0.000 -10.114 0.000) 10.114 1.928 ( 0.000 9.173 0.000) 9.173 1.965 ( -0.000 8.605 0.000) 8.605 2.232 ( -0.000 10.767 0.000) 10.767 2.471 ( 0.000 15.657 0.000) 15.657 2.585 ( 0.000 -18.135 0.000) 18.135 4.235 ( -0.000 -8.913 0.000) 8.913 8.094 ( -0.000 -8.147 0.000) 8.147 9.187 ( 0.000 51.177 0.000) 51.177 10.416 ( -0.000 -0.796 0.000) 0.796 11.982 ( -0.000 -7.718 0.000) 7.718 12.030 ( -0.000 0.078 0.000) 0.078 13.527 ( 0.000 -49.883 0.000) 49.883 ======================= Grid point 708 (342/371) ======================= q-point: ( 0.15 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 371 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.160 ( 11.045 0.000 -4.585) 11.959 1.240 ( 7.152 0.000 -3.867) 8.130 1.513 ( 10.385 0.000 5.846) 11.917 2.006 ( 3.495 0.000 -6.541) 7.416 2.224 ( 9.694 0.000 -2.784) 10.086 2.502 ( 1.225 0.000 2.451) 2.740 2.701 ( 18.823 0.000 2.906) 19.046 2.816 ( 8.416 0.000 -2.867) 8.891 4.209 ( -2.639 -0.000 2.489) 3.628 7.818 ( -9.491 -0.000 -4.727) 10.603 9.965 ( 30.430 0.000 -2.678) 30.548 10.309 ( -5.239 -0.000 -0.319) 5.249 11.303 ( -37.249 -0.000 -5.839) 37.703 11.544 ( -18.364 -0.000 1.209) 18.404 13.006 ( -1.459 -0.000 1.952) 2.438 ======================= Grid point 709 (343/371) ======================= q-point: ( 0.23 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( 11.041 -0.084 -3.402) 11.554 1.364 ( 9.385 -3.813 -3.177) 10.617 1.678 ( 10.235 2.903 3.570) 11.222 2.049 ( 8.736 3.068 -0.627) 9.280 2.288 ( 6.661 4.843 -2.814) 8.703 2.560 ( 4.625 -1.556 0.578) 4.914 2.660 ( 7.665 17.250 4.653) 19.441 3.217 ( 13.261 -19.635 -2.648) 23.841 4.178 ( -0.973 2.298 2.008) 3.203 7.794 ( -8.356 -18.182 -3.410) 20.298 10.092 ( 3.872 6.320 -7.282) 10.391 10.240 ( -14.056 -1.130 -9.192) 16.833 11.022 ( 1.240 -1.074 14.709) 14.800 11.268 ( -23.341 -0.517 1.471) 23.393 12.961 ( 3.324 9.557 -0.690) 10.142 ======================= Grid point 710 (344/371) ======================= q-point: ( 0.31 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.433 ( 10.386 -2.759 -3.516) 11.307 1.513 ( 6.730 -2.041 -2.528) 7.473 1.757 ( 10.665 6.843 1.597) 12.772 2.117 ( 8.381 6.213 1.782) 10.583 2.275 ( 5.917 5.975 -2.248) 8.704 2.541 ( 4.523 14.446 4.684) 15.846 2.676 ( 2.827 -3.181 3.359) 5.422 3.590 ( 10.476 -13.608 -5.462) 18.021 4.166 ( 2.580 2.417 2.935) 4.595 8.022 ( -8.110 -31.978 -0.999) 33.005 9.874 ( -17.796 -0.324 -11.067) 20.959 10.037 ( -2.545 3.961 -0.884) 4.790 10.914 ( -27.720 -0.164 1.111) 27.743 11.359 ( 21.590 -0.240 17.313) 27.675 12.820 ( 3.757 16.119 -3.695) 16.959 ======================= Grid point 711 (345/371) ======================= q-point: ( 0.38 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( 4.402 8.531 -6.354) 11.512 1.621 ( 6.724 -4.540 1.193) 8.200 1.855 ( 11.372 2.129 -1.129) 11.624 2.118 ( 6.409 9.066 1.380) 11.188 2.269 ( 4.832 5.193 -0.789) 7.137 2.423 ( 0.508 11.852 5.195) 12.950 2.761 ( 2.702 -0.647 2.066) 3.462 3.807 ( 8.409 -4.893 -5.719) 11.285 4.224 ( 4.135 -0.347 3.667) 5.537 8.392 ( -8.591 -37.523 0.636) 38.500 9.633 ( -14.404 -2.731 -2.781) 14.922 9.977 ( -2.720 -2.020 -2.031) 3.950 10.525 ( -31.600 -2.124 1.635) 31.713 11.748 ( 25.424 5.494 12.013) 28.651 12.586 ( 3.428 20.410 -6.034) 21.558 ======================= Grid point 712 (346/371) ======================= q-point: ( 0.46 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.341 ( 4.611 14.488 -6.104) 16.383 1.766 ( 5.091 -3.052 -1.422) 6.104 1.938 ( 3.896 2.234 -0.373) 4.506 2.096 ( 6.980 7.669 1.354) 10.458 2.218 ( 1.261 7.854 1.612) 8.117 2.332 ( 5.446 8.819 -0.275) 10.369 2.788 ( 1.493 2.119 0.845) 2.726 3.920 ( 8.196 0.304 -2.903) 8.700 4.291 ( 0.366 -0.418 3.276) 3.322 8.796 ( -7.117 -35.141 2.395) 35.934 9.468 ( -19.707 -4.811 0.825) 20.303 10.012 ( -2.742 -10.650 -1.480) 11.096 10.169 ( -26.329 -5.480 1.649) 26.944 12.000 ( 21.083 14.080 1.758) 25.413 12.316 ( 5.662 19.520 -4.713) 20.864 ======================= Grid point 713 (347/371) ======================= q-point: (-0.46 0.15 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( 8.179 14.055 -7.221) 17.793 1.789 ( 1.925 4.967 -1.859) 5.642 1.874 ( -3.057 7.050 1.274) 7.789 2.106 ( 6.588 6.514 -0.098) 9.265 2.207 ( 10.002 4.593 -1.468) 11.104 2.297 ( 5.685 6.765 -1.098) 8.904 2.764 ( 0.281 3.243 0.144) 3.258 3.998 ( 6.656 1.777 -0.080) 6.889 4.263 ( -5.671 2.497 3.187) 6.968 9.059 ( -30.340 -8.207 9.749) 32.908 9.280 ( -8.464 -25.021 -4.043) 26.722 10.012 ( -10.110 -8.406 0.904) 13.180 10.211 ( -2.328 -22.073 -0.137) 22.196 11.853 ( 6.244 23.997 -10.084) 26.769 12.273 ( 16.507 12.823 -0.065) 20.902 ======================= Grid point 714 (348/371) ======================= q-point: (-0.38 0.15 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( 13.908 7.420 -5.642) 16.742 1.703 ( 1.218 9.239 2.076) 9.547 1.724 ( -0.792 8.814 -4.111) 9.758 2.069 ( 5.041 9.894 -1.115) 11.160 2.252 ( 6.522 5.869 -0.199) 8.776 2.345 ( 13.398 3.834 -2.534) 14.165 2.709 ( -1.619 3.730 0.054) 4.067 4.022 ( -5.074 4.504 5.302) 8.611 4.127 ( -3.371 3.573 -0.728) 4.966 8.572 ( -43.078 -1.210 3.508) 43.237 9.695 ( 5.258 -29.227 4.661) 30.060 10.061 ( -2.584 -9.256 0.454) 9.620 10.548 ( -1.234 -29.415 -0.170) 29.442 11.531 ( 3.470 22.153 -11.063) 25.004 12.308 ( 15.027 12.681 -2.401) 19.808 ======================= Grid point 715 (349/371) ======================= q-point: (-0.31 0.15 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.266 ( 13.508 1.803 -0.661) 13.643 1.570 ( 0.086 8.785 -4.845) 10.033 1.630 ( 2.956 6.459 2.207) 7.438 1.981 ( 5.760 11.947 -0.252) 13.266 2.252 ( 5.513 6.026 -0.526) 8.185 2.471 ( 18.020 7.316 -3.131) 19.699 2.609 ( -4.066 5.396 0.057) 6.757 3.737 ( -20.371 10.356 4.438) 23.280 4.126 ( 2.894 1.144 -0.467) 3.147 8.067 ( -35.259 -3.321 3.147) 35.555 10.140 ( 1.870 -7.960 2.378) 8.515 10.297 ( 7.790 -34.627 4.878) 35.826 10.934 ( -0.997 -25.415 0.075) 25.434 11.225 ( 2.049 15.913 -10.828) 19.357 12.316 ( 11.575 10.589 -2.146) 15.834 ======================= Grid point 716 (350/371) ======================= q-point: (-0.23 0.15 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( 4.170 8.229 2.914) 9.674 1.448 ( 1.082 5.254 -0.937) 5.446 1.609 ( 0.610 4.628 -1.677) 4.960 1.959 ( 8.204 2.717 1.052) 8.706 2.231 ( 6.128 7.494 -1.580) 9.809 2.431 ( -7.645 6.775 -0.574) 10.231 2.613 ( 22.692 12.633 -1.493) 26.014 3.282 ( -24.883 12.684 2.398) 28.032 4.136 ( 1.187 1.073 -0.332) 1.635 7.791 ( -18.360 -8.151 3.409) 20.375 10.250 ( 3.109 -4.020 0.538) 5.110 10.826 ( -2.453 20.796 -2.187) 21.054 11.016 ( 8.571 -44.125 0.955) 44.960 11.355 ( -0.165 -24.061 -1.383) 24.101 12.315 ( 6.699 6.291 -0.606) 9.210 ======================= Grid point 717 (351/371) ======================= q-point: (-0.15 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 345 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( -0.000 10.156 0.000) 10.156 1.447 ( 0.000 -1.531 0.000) 1.531 1.462 ( -0.000 13.703 -0.000) 13.703 2.108 ( -0.000 -11.743 0.000) 11.743 2.205 ( 0.000 9.463 0.000) 9.463 2.211 ( -0.000 7.868 -0.000) 7.868 2.655 ( -0.000 18.985 0.000) 18.985 2.845 ( 0.000 10.459 0.000) 10.459 4.133 ( -0.000 -0.050 0.000) 0.050 7.817 ( 0.000 -10.926 0.000) 10.926 10.352 ( 0.000 -4.397 0.000) 4.397 10.394 ( -0.000 33.969 0.000) 33.969 11.637 ( -0.000 -18.042 0.000) 18.042 11.722 ( 0.000 -40.764 0.000) 40.764 12.359 ( 0.000 -10.342 0.000) 10.342 ======================= Grid point 723 (352/371) ======================= q-point: ( 0.23 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 371 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.421 ( 11.395 0.000 -4.668) 12.314 1.434 ( 9.859 0.000 -6.493) 11.805 1.860 ( 9.747 0.000 1.385) 9.845 2.210 ( 9.501 0.000 2.565) 9.841 2.397 ( 5.986 0.000 -3.089) 6.736 2.591 ( 3.029 0.000 2.855) 4.162 2.865 ( -2.363 -0.000 -2.615) 3.525 3.282 ( 19.823 0.000 3.357) 20.105 4.215 ( 1.752 0.000 3.334) 3.766 7.546 ( -5.721 -0.000 -2.894) 6.412 9.866 ( -18.344 -0.000 -12.982) 22.472 10.100 ( -9.815 -0.000 -0.038) 9.815 10.915 ( -28.320 -0.000 0.263) 28.321 11.354 ( 25.706 0.000 20.757) 33.040 13.045 ( 1.931 0.000 -4.459) 4.859 ======================= Grid point 724 (353/371) ======================= q-point: ( 0.31 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( 8.975 -0.500 -8.884) 12.639 1.563 ( 8.773 -2.151 -4.847) 10.251 1.955 ( 7.525 2.849 -0.564) 8.066 2.313 ( 6.072 3.960 3.933) 8.247 2.417 ( 5.317 4.782 -2.082) 7.448 2.679 ( 2.722 -1.878 -1.069) 3.475 2.745 ( -1.179 6.936 3.090) 7.685 3.617 ( 16.419 -6.346 0.980) 17.630 4.267 ( 4.100 1.896 4.464) 6.351 7.598 ( -2.690 -16.705 -1.081) 16.955 9.577 ( -15.899 -1.200 -5.838) 16.979 9.953 ( -10.842 -0.294 0.042) 10.846 10.494 ( -33.049 -0.308 -0.202) 33.051 11.851 ( 28.502 1.960 19.231) 34.439 12.971 ( 0.555 7.245 -7.982) 10.794 ======================= Grid point 725 (354/371) ======================= q-point: ( 0.38 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.552 ( 5.971 0.985 -12.542) 13.926 1.671 ( 5.775 -1.779 1.207) 6.163 2.008 ( 6.735 2.374 -2.110) 7.446 2.322 ( 3.896 7.128 3.257) 8.752 2.401 ( 3.924 5.899 -0.614) 7.111 2.591 ( 1.144 7.829 -1.577) 8.068 2.800 ( 2.782 -0.900 2.833) 4.071 3.884 ( 13.349 -2.601 -0.898) 13.629 4.321 ( 3.577 2.481 4.651) 6.370 7.883 ( -0.330 -26.992 0.565) 27.000 9.377 ( -16.056 -2.298 -0.404) 16.225 9.830 ( -10.602 -3.896 -0.322) 11.300 10.043 ( -33.777 -3.155 -0.248) 33.925 12.268 ( 24.730 6.444 13.797) 29.043 12.781 ( -0.013 12.382 -9.996) 15.913 ======================= Grid point 726 (355/371) ======================= q-point: ( 0.46 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( 5.716 7.061 -9.457) 13.113 1.793 ( 3.881 -3.053 4.480) 6.668 2.026 ( 3.383 4.053 -2.513) 5.847 2.291 ( 4.374 7.085 1.642) 8.487 2.367 ( 5.442 6.407 -0.533) 8.423 2.516 ( 4.732 7.832 -2.515) 9.490 2.831 ( 0.509 1.173 0.734) 1.474 4.048 ( 10.770 1.397 -1.293) 10.937 4.335 ( -0.386 3.318 4.036) 5.239 8.311 ( 2.491 -31.288 2.081) 31.456 9.093 ( -30.614 0.270 1.473) 30.651 9.745 ( -18.559 -9.948 -0.479) 21.062 9.787 ( -10.489 -10.446 0.253) 14.806 12.421 ( 7.498 16.094 -7.221) 19.167 12.606 ( 10.993 11.049 3.215) 15.915 ======================= Grid point 727 (356/371) ======================= q-point: (-0.46 0.23 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( 9.858 10.804 -4.637) 15.343 1.883 ( 2.287 1.729 5.506) 6.208 1.957 ( 1.222 7.686 -2.436) 8.155 2.268 ( 3.175 5.353 1.402) 6.379 2.404 ( 12.069 3.643 -3.527) 13.091 2.463 ( 5.052 7.454 -2.245) 9.280 2.802 ( -1.053 2.538 0.165) 2.753 4.133 ( 7.337 3.934 -0.219) 8.328 4.252 ( -5.836 5.347 2.370) 8.263 8.560 ( -38.899 0.323 4.226) 39.129 8.846 ( 4.925 -30.784 -0.264) 31.177 9.739 ( -8.417 -13.710 0.752) 16.105 9.867 ( -7.625 -19.270 -0.078) 20.724 12.127 ( 0.501 19.883 -12.436) 23.457 12.662 ( 12.718 12.343 3.183) 18.006 ======================= Grid point 728 (357/371) ======================= q-point: (-0.38 0.23 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.441 ( 14.228 10.019 -0.860) 17.423 1.836 ( 0.655 9.663 -1.638) 9.823 1.865 ( 1.720 8.293 2.841) 8.933 2.240 ( 2.803 5.733 0.180) 6.385 2.423 ( 5.671 6.798 -0.839) 8.892 2.553 ( 13.906 0.190 -2.915) 14.209 2.744 ( -0.824 3.619 0.560) 3.754 4.007 ( -13.000 9.863 2.863) 16.567 4.188 ( 4.967 3.477 -1.367) 6.215 8.018 ( -36.785 0.381 1.067) 36.803 9.384 ( 7.906 -30.332 3.414) 31.531 9.856 ( -3.838 -14.127 0.425) 14.645 10.112 ( -4.880 -29.195 -0.273) 29.601 11.781 ( 0.117 20.547 -10.210) 22.945 12.648 ( 9.427 12.810 0.188) 15.906 ======================= Grid point 729 (358/371) ======================= q-point: (-0.31 0.23 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.523 ( 13.041 6.768 1.380) 14.757 1.694 ( 0.801 10.764 -1.745) 10.933 1.753 ( -2.237 8.888 1.101) 9.231 2.191 ( 3.398 7.861 0.256) 8.568 2.409 ( 5.405 5.834 -0.985) 8.014 2.592 ( -3.420 4.792 0.121) 5.888 2.816 ( 16.941 1.412 -0.794) 17.019 3.637 ( -17.929 14.009 1.251) 22.787 4.191 ( 2.574 3.061 -0.429) 4.023 7.627 ( -21.699 -3.145 0.753) 21.938 9.924 ( 5.064 -32.538 3.464) 33.112 10.009 ( -1.203 -12.903 -0.117) 12.960 10.508 ( -1.384 -33.423 -0.314) 33.453 11.453 ( 0.176 20.231 -5.973) 21.095 12.580 ( 5.524 11.757 -0.546) 13.002 ======================= Grid point 730 (359/371) ======================= q-point: (-0.23 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 345 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.538 ( 0.000 11.753 0.000) 11.753 1.555 ( 0.000 8.695 0.000) 8.695 1.631 ( -0.000 1.059 0.000) 1.059 2.106 ( 0.000 8.677 0.000) 8.677 2.385 ( 0.000 5.217 0.000) 5.217 2.453 ( -0.000 8.061 0.000) 8.061 2.996 ( 0.000 0.269 0.000) 0.269 3.208 ( -0.000 20.407 0.000) 20.407 4.169 ( -0.000 2.326 0.000) 2.326 7.553 ( 0.000 -7.391 0.000) 7.391 10.156 ( 0.000 -10.039 0.000) 10.039 10.476 ( -0.000 -40.561 0.000) 40.561 10.923 ( -0.000 -23.305 0.000) 23.305 11.172 ( -0.000 14.776 0.000) 14.776 12.469 ( -0.000 9.714 0.000) 9.714 ======================= Grid point 738 (360/371) ======================= q-point: ( 0.31 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 371 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( 6.900 0.000 -11.935) 13.786 1.645 ( 9.010 0.000 -5.259) 10.432 2.042 ( 4.135 0.000 -1.341) 4.347 2.425 ( 2.749 0.000 4.533) 5.301 2.512 ( 5.112 0.000 -1.622) 5.363 2.660 ( -1.380 -0.000 -3.311) 3.587 2.808 ( 2.485 0.000 2.665) 3.644 3.835 ( 17.119 0.000 3.109) 17.399 4.369 ( 4.132 0.000 4.929) 6.432 7.487 ( 3.273 0.000 0.039) 3.274 9.343 ( -13.659 -0.000 -1.850) 13.783 9.776 ( -14.041 -0.000 0.813) 14.064 10.003 ( -37.071 -0.000 -1.236) 37.092 12.358 ( 25.290 0.000 17.662) 30.847 12.954 ( -1.214 -0.000 -11.043) 11.110 ======================= Grid point 739 (361/371) ======================= q-point: ( 0.38 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( 6.894 0.101 -9.760) 11.950 1.733 ( 6.591 -1.135 -3.120) 7.380 2.079 ( 3.360 0.429 -1.635) 3.761 2.454 ( 1.862 3.646 3.485) 5.376 2.531 ( 4.231 5.123 -0.522) 6.665 2.639 ( 1.611 -0.000 -3.123) 3.514 2.844 ( 1.294 0.527 0.932) 1.680 4.071 ( 14.358 0.356 1.991) 14.500 4.426 ( 2.188 2.407 4.228) 5.334 7.663 ( 7.547 -13.286 1.179) 15.326 9.141 ( -17.566 2.298 0.404) 17.721 9.512 ( -33.739 -5.863 -1.368) 34.272 9.601 ( -14.967 -3.289 0.811) 15.346 12.704 ( 14.040 4.838 4.553) 15.532 12.843 ( 2.586 5.073 -3.899) 6.900 ======================= Grid point 740 (362/371) ======================= q-point: ( 0.46 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( 9.419 2.572 -4.616) 10.800 1.831 ( 4.279 -3.009 1.874) 5.556 2.097 ( 3.074 1.981 -2.520) 4.441 2.414 ( -0.884 5.232 1.555) 5.529 2.530 ( 7.357 5.043 -0.710) 8.948 2.639 ( 4.418 4.071 -2.804) 6.630 2.839 ( -1.004 0.488 -0.217) 1.138 4.231 ( 11.060 2.967 0.721) 11.474 4.404 ( -1.552 4.989 2.798) 5.927 8.049 ( 10.815 -22.276 2.029) 24.846 8.692 ( -34.127 7.014 -0.147) 34.841 9.343 ( -14.744 -14.586 0.036) 20.740 9.484 ( -14.468 -9.033 0.440) 17.062 12.566 ( -0.779 11.458 -13.384) 17.636 12.945 ( 10.583 7.667 8.800) 15.755 ======================= Grid point 741 (363/371) ======================= q-point: (-0.46 0.31 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.697 ( 12.360 6.788 0.052) 14.101 1.938 ( 1.691 -2.199 4.533) 5.314 2.075 ( 3.425 5.476 -2.368) 6.879 2.332 ( -2.809 2.765 0.188) 3.946 2.579 ( 8.129 3.497 -1.924) 9.056 2.619 ( 6.720 6.163 -2.183) 9.376 2.807 ( -1.716 1.232 0.133) 2.117 4.268 ( -4.939 8.579 1.469) 10.007 4.309 ( 6.568 4.958 -0.313) 8.236 8.114 ( -33.017 6.761 0.230) 33.703 8.582 ( 13.457 -27.299 1.575) 30.476 9.412 ( -9.201 -17.317 1.138) 19.643 9.473 ( -12.264 -16.890 -0.729) 20.886 12.290 ( -0.964 15.709 -10.847) 19.115 12.974 ( 6.535 10.254 4.053) 12.817 ======================= Grid point 742 (364/371) ======================= q-point: (-0.38 0.31 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.758 ( 11.587 9.223 0.909) 14.838 1.949 ( 0.005 5.169 1.483) 5.378 2.005 ( 0.113 8.504 0.718) 8.535 2.287 ( -0.920 -0.348 -0.525) 1.115 2.568 ( 3.399 5.586 -0.987) 6.613 2.682 ( 5.012 1.969 -0.774) 5.440 2.787 ( 3.057 -0.584 0.161) 3.117 4.024 ( -7.997 13.250 0.192) 15.478 4.311 ( 3.907 5.567 -0.349) 6.810 7.647 ( -21.075 4.851 -0.273) 21.627 9.153 ( 12.200 -25.677 2.187) 28.512 9.576 ( -6.397 -23.113 0.704) 23.992 9.610 ( -7.659 -23.683 -1.176) 24.918 11.992 ( -0.563 18.402 -6.054) 19.380 12.909 ( 3.720 11.425 1.051) 12.062 ======================= Grid point 743 (365/371) ======================= q-point: (-0.31 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 345 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.747 ( 0.000 7.508 0.000) 7.508 1.841 ( -0.000 10.086 0.000) 10.086 1.855 ( -0.000 10.905 0.000) 10.905 2.279 ( 0.000 2.119 0.000) 2.119 2.521 ( -0.000 4.987 0.000) 4.987 2.637 ( -0.000 5.290 0.000) 5.290 2.898 ( 0.000 -5.753 0.000) 5.753 3.736 ( -0.000 17.624 0.000) 17.624 4.264 ( -0.000 4.780 0.000) 4.780 7.454 ( 0.000 0.711 0.000) 0.711 9.579 ( -0.000 -25.191 0.000) 25.191 9.802 ( 0.000 -15.717 0.000) 15.717 9.997 ( -0.000 -37.440 0.000) 37.440 11.707 ( -0.000 19.598 0.000) 19.598 12.779 ( -0.000 11.898 0.000) 11.898 ======================= Grid point 753 (366/371) ======================= q-point: ( 0.38 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 371 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( 9.733 0.000 -4.476) 10.713 1.781 ( 5.386 0.000 -4.752) 7.182 2.115 ( 2.735 0.000 -0.416) 2.766 2.498 ( -2.531 -0.000 2.092) 3.284 2.645 ( 5.252 0.000 -1.481) 5.457 2.649 ( 5.305 0.000 -0.042) 5.305 2.849 ( -0.587 -0.000 -1.251) 1.382 4.276 ( 12.310 0.000 2.122) 12.492 4.481 ( -0.220 -0.000 2.779) 2.788 7.723 ( 12.499 0.000 1.555) 12.595 8.936 ( -36.616 -0.000 -1.893) 36.665 8.994 ( -11.848 -0.000 0.502) 11.858 9.361 ( -16.942 -0.000 1.261) 16.989 12.727 ( -0.889 -0.000 -13.556) 13.585 13.054 ( 9.661 0.000 11.036) 14.667 ======================= Grid point 754 (367/371) ======================= q-point: ( 0.46 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( 11.505 0.440 0.278) 11.517 1.841 ( 4.176 -3.127 -2.694) 5.872 2.144 ( 2.503 0.935 -0.532) 2.724 2.422 ( -6.142 2.532 0.646) 6.675 2.688 ( 6.165 3.397 0.091) 7.039 2.736 ( 6.565 1.307 -1.013) 6.770 2.824 ( -1.219 0.467 -0.969) 1.626 4.417 ( 8.817 2.428 1.248) 9.230 4.448 ( -2.680 3.614 1.019) 4.614 8.006 ( 14.892 -11.859 1.550) 19.100 8.375 ( -28.810 10.340 -1.281) 30.636 8.962 ( -10.694 -14.019 0.056) 17.632 9.169 ( -16.835 -5.297 0.844) 17.669 12.597 ( -0.916 5.947 -10.982) 12.522 13.175 ( 4.404 3.900 6.703) 8.918 ======================= Grid point 755 (368/371) ======================= q-point: ( 0.54 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.914 ( 3.250 -3.123 2.970) 5.398 1.952 ( 10.231 1.064 -1.320) 10.370 2.152 ( 2.083 1.594 -0.834) 2.752 2.290 ( -7.626 2.677 0.240) 8.086 2.701 ( 3.088 4.131 -0.363) 5.170 2.770 ( 3.855 3.869 -0.802) 5.520 2.807 ( 1.196 1.052 0.006) 1.593 4.324 ( -3.578 8.053 -0.060) 8.812 4.465 ( 4.662 4.809 0.390) 6.709 7.885 ( -17.963 11.737 -0.632) 21.467 8.459 ( 15.207 -21.973 1.028) 26.741 9.041 ( -13.173 -12.868 1.178) 18.453 9.099 ( -7.464 -16.584 -0.961) 18.212 12.414 ( -0.533 11.422 -6.114) 12.967 13.168 ( 1.815 6.878 2.674) 7.599 ======================= Grid point 756 (369/371) ======================= q-point: (-0.38 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 345 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.976 ( 0.000 7.731 0.000) 7.731 1.981 ( -0.000 -1.222 -0.000) 1.222 2.113 ( -0.000 7.595 0.000) 7.595 2.228 ( 0.000 -4.444 0.000) 4.444 2.658 ( 0.000 4.860 0.000) 4.860 2.746 ( -0.000 2.804 0.000) 2.804 2.806 ( 0.000 0.629 0.000) 0.629 4.151 ( -0.000 12.253 0.000) 12.253 4.422 ( -0.000 6.069 0.000) 6.069 7.601 ( -0.000 9.695 0.000) 9.695 9.003 ( -0.000 -32.717 0.000) 32.717 9.059 ( 0.000 -13.330 0.000) 13.330 9.315 ( -0.000 -19.205 0.000) 19.205 12.203 ( -0.000 15.663 0.000) 15.663 13.078 ( -0.000 9.243 0.000) 9.243 ======================= Grid point 768 (370/371) ======================= q-point: ( 0.46 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 371 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.835 ( 1.743 0.000 -1.970) 2.631 1.948 ( 10.800 0.000 0.694) 10.823 2.180 ( 1.740 0.000 0.059) 1.741 2.344 ( -7.475 -0.000 0.463) 7.490 2.766 ( 2.442 0.000 0.178) 2.449 2.808 ( -0.421 -0.000 -0.509) 0.660 2.843 ( 5.890 0.000 -0.205) 5.893 4.439 ( -2.484 -0.000 -0.037) 2.485 4.536 ( 4.881 0.000 0.726) 4.935 8.130 ( 7.306 0.000 1.142) 7.395 8.139 ( -10.490 -0.000 -1.230) 10.562 8.736 ( -5.768 -0.000 -0.107) 5.769 8.916 ( -14.245 -0.000 0.634) 14.259 12.576 ( -0.404 -0.000 -6.094) 6.108 13.265 ( 0.984 0.000 3.333) 3.475 ======================= Grid point 769 (371/371) ======================= q-point: ( 0.54 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 345 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.869 ( -0.000 -3.831 0.000) 3.831 2.056 ( 0.000 -1.910 0.000) 1.910 2.182 ( -0.000 1.926 0.000) 1.926 2.257 ( -0.000 2.693 -0.000) 2.693 2.767 ( -0.000 2.387 0.000) 2.387 2.796 ( -0.000 0.882 0.000) 0.882 2.871 ( -0.000 2.178 0.000) 2.178 4.387 ( -0.000 4.576 0.000) 4.576 4.553 ( -0.000 2.800 0.000) 2.800 7.927 ( -0.000 11.371 0.000) 11.371 8.338 ( -0.000 -13.465 0.000) 13.465 8.797 ( -0.000 -11.078 -0.000) 11.078 8.841 ( -0.000 -7.590 0.000) 7.590 12.513 ( -0.000 6.076 0.000) 6.076 13.256 ( -0.000 3.435 0.000) 3.435 =================== 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 3/20280 10.0 115.581 120.897 54.381 0.000 -14.199 0.000 3/20280 20.0 33.283 30.528 12.204 0.000 -1.627 0.000 3/20280 30.0 20.622 18.661 7.455 0.000 -0.550 0.000 3/20280 40.0 15.106 13.705 5.415 0.000 -0.285 0.000 3/20280 50.0 11.986 10.914 4.259 0.000 -0.185 0.000 3/20280 60.0 9.966 9.103 3.509 0.000 -0.137 0.000 3/20280 70.0 8.537 7.819 2.978 0.000 -0.110 0.000 3/20280 80.0 7.467 6.856 2.582 0.000 -0.092 0.000 3/20280 90.0 6.633 6.106 2.275 0.000 -0.079 0.000 3/20280 100.0 5.965 5.504 2.031 0.000 -0.070 0.000 3/20280 110.0 5.419 5.012 1.833 0.000 -0.062 0.000 3/20280 120.0 4.964 4.601 1.670 0.000 -0.056 0.000 3/20280 130.0 4.580 4.254 1.533 0.000 -0.051 0.000 3/20280 140.0 4.252 3.956 1.417 0.000 -0.047 0.000 3/20280 150.0 3.968 3.698 1.317 0.000 -0.043 0.000 3/20280 160.0 3.720 3.473 1.231 0.000 -0.040 0.000 3/20280 170.0 3.501 3.273 1.155 0.000 -0.037 0.000 3/20280 180.0 3.307 3.096 1.088 0.000 -0.035 0.000 3/20280 190.0 3.134 2.938 1.029 0.000 -0.033 0.000 3/20280 200.0 2.978 2.795 0.976 0.000 -0.031 0.000 3/20280 210.0 2.837 2.665 0.928 0.000 -0.029 0.000 3/20280 220.0 2.709 2.547 0.885 0.000 -0.028 0.000 3/20280 230.0 2.592 2.439 0.846 0.000 -0.026 0.000 3/20280 240.0 2.485 2.340 0.810 0.000 -0.025 0.000 3/20280 250.0 2.386 2.249 0.777 0.000 -0.024 0.000 3/20280 260.0 2.295 2.165 0.747 0.000 -0.023 0.000 3/20280 270.0 2.210 2.086 0.719 0.000 -0.022 0.000 3/20280 280.0 2.132 2.014 0.693 0.000 -0.021 0.000 3/20280 290.0 2.059 1.946 0.669 0.000 -0.020 0.000 3/20280 300.0 1.991 1.882 0.646 0.000 -0.019 0.000 3/20280 310.0 1.927 1.823 0.625 0.000 -0.019 0.000 3/20280 320.0 1.868 1.767 0.606 0.000 -0.018 0.000 3/20280 330.0 1.811 1.715 0.587 0.000 -0.017 0.000 3/20280 340.0 1.759 1.665 0.570 0.000 -0.017 0.000 3/20280 350.0 1.709 1.618 0.553 0.000 -0.016 0.000 3/20280 360.0 1.661 1.574 0.538 0.000 -0.016 0.000 3/20280 370.0 1.617 1.532 0.523 0.000 -0.015 0.000 3/20280 380.0 1.575 1.493 0.510 0.000 -0.015 0.000 3/20280 390.0 1.535 1.455 0.496 0.000 -0.014 0.000 3/20280 400.0 1.496 1.419 0.484 0.000 -0.014 0.000 3/20280 410.0 1.460 1.385 0.472 0.000 -0.014 0.000 3/20280 420.0 1.426 1.353 0.461 0.000 -0.013 0.000 3/20280 430.0 1.393 1.322 0.450 0.000 -0.013 0.000 3/20280 440.0 1.361 1.292 0.440 0.000 -0.013 0.000 3/20280 450.0 1.331 1.264 0.430 0.000 -0.012 0.000 3/20280 460.0 1.302 1.237 0.421 0.000 -0.012 0.000 3/20280 470.0 1.275 1.211 0.412 0.000 -0.012 0.000 3/20280 480.0 1.248 1.186 0.403 0.000 -0.012 0.000 3/20280 490.0 1.223 1.162 0.395 0.000 -0.011 0.000 3/20280 500.0 1.199 1.139 0.387 0.000 -0.011 0.000 3/20280 510.0 1.175 1.117 0.380 0.000 -0.011 0.000 3/20280 520.0 1.153 1.096 0.372 0.000 -0.011 0.000 3/20280 530.0 1.131 1.075 0.365 0.000 -0.010 0.000 3/20280 540.0 1.110 1.055 0.358 0.000 -0.010 0.000 3/20280 550.0 1.090 1.036 0.352 0.000 -0.010 0.000 3/20280 560.0 1.071 1.018 0.346 0.000 -0.010 0.000 3/20280 570.0 1.052 1.000 0.340 0.000 -0.010 0.000 3/20280 580.0 1.034 0.983 0.334 0.000 -0.009 0.000 3/20280 590.0 1.017 0.967 0.328 0.000 -0.009 0.000 3/20280 600.0 1.000 0.951 0.323 0.000 -0.009 0.000 3/20280 610.0 0.983 0.935 0.317 0.000 -0.009 0.000 3/20280 620.0 0.968 0.920 0.312 0.000 -0.009 0.000 3/20280 630.0 0.952 0.906 0.307 0.000 -0.009 0.000 3/20280 640.0 0.937 0.892 0.302 0.000 -0.009 0.000 3/20280 650.0 0.923 0.878 0.298 0.000 -0.008 0.000 3/20280 660.0 0.909 0.865 0.293 0.000 -0.008 0.000 3/20280 670.0 0.896 0.852 0.289 0.000 -0.008 0.000 3/20280 680.0 0.882 0.840 0.285 0.000 -0.008 0.000 3/20280 690.0 0.870 0.828 0.281 0.000 -0.008 0.000 3/20280 700.0 0.857 0.816 0.277 0.000 -0.008 0.000 3/20280 710.0 0.845 0.804 0.273 0.000 -0.008 0.000 3/20280 720.0 0.834 0.793 0.269 0.000 -0.008 0.000 3/20280 730.0 0.822 0.783 0.265 0.000 -0.007 0.000 3/20280 740.0 0.811 0.772 0.262 0.000 -0.007 0.000 3/20280 750.0 0.800 0.762 0.258 0.000 -0.007 0.000 3/20280 760.0 0.790 0.752 0.255 0.000 -0.007 0.000 3/20280 770.0 0.780 0.742 0.251 0.000 -0.007 0.000 3/20280 780.0 0.770 0.733 0.248 0.000 -0.007 0.000 3/20280 790.0 0.760 0.723 0.245 0.000 -0.007 0.000 3/20280 800.0 0.750 0.714 0.242 0.000 -0.007 0.000 3/20280 810.0 0.741 0.706 0.239 0.000 -0.007 0.000 3/20280 820.0 0.732 0.697 0.236 0.000 -0.007 0.000 3/20280 830.0 0.723 0.689 0.233 0.000 -0.007 0.000 3/20280 840.0 0.715 0.681 0.230 0.000 -0.006 0.000 3/20280 850.0 0.706 0.673 0.228 0.000 -0.006 0.000 3/20280 860.0 0.698 0.665 0.225 0.000 -0.006 0.000 3/20280 870.0 0.690 0.657 0.223 0.000 -0.006 0.000 3/20280 880.0 0.682 0.650 0.220 0.000 -0.006 0.000 3/20280 890.0 0.675 0.643 0.218 0.000 -0.006 0.000 3/20280 900.0 0.667 0.635 0.215 0.000 -0.006 0.000 3/20280 910.0 0.660 0.628 0.213 0.000 -0.006 0.000 3/20280 920.0 0.653 0.622 0.210 0.000 -0.006 0.000 3/20280 930.0 0.646 0.615 0.208 0.000 -0.006 0.000 3/20280 940.0 0.639 0.608 0.206 0.000 -0.006 0.000 3/20280 950.0 0.632 0.602 0.204 0.000 -0.006 0.000 3/20280 960.0 0.626 0.596 0.202 0.000 -0.006 0.000 3/20280 970.0 0.619 0.590 0.200 0.000 -0.006 0.000 3/20280 980.0 0.613 0.584 0.198 0.000 -0.005 0.000 3/20280 990.0 0.607 0.578 0.196 0.000 -0.005 0.000 3/20280 1000.0 0.601 0.572 0.194 0.000 -0.005 0.000 3/20280 Thermal conductivity related properties were written into "kappa-m13138.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:43:18]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|