----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:33:19]------------------------- 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: [1 1 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) Number of symmetry operations in supercell: 36 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.881590119041205 1.663686830922602 7.087443339999993 b -2.881590119041199 1.663686830922602 7.087443339999993 c 0.000000000000003 -3.327373661845209 7.087443339999993 Atomic positions (fractional): *1 O 0.67218480060016 0.67218480060016 0.67218480060016 15.999 2 O 0.32781519939984 0.32781519939984 0.32781519939984 15.999 *3 O 0.72635727910809 0.24387996105468 0.72635727910809 15.999 4 O 0.24387996105468 0.72635727910809 0.72635727910809 15.999 5 O 0.72635727910809 0.72635727910809 0.24387996105468 15.999 6 O 0.75612003894532 0.27364272089191 0.27364272089191 15.999 7 O 0.27364272089191 0.75612003894532 0.27364272089191 15.999 8 O 0.27364272089191 0.27364272089191 0.75612003894532 15.999 *9 As 0.59263638545104 0.59263638545104 0.59263638545104 74.922 10 As 0.40736361454896 0.40736361454896 0.40736361454896 74.922 *11 Ba 0.79389973492587 0.79389973492587 0.79389973492587 137.327 12 Ba 0.20610026507412 0.20610026507413 0.20610026507412 137.327 *13 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.763180238082404 0.000000000000000 0.000000000000000 b -2.881590119041202 4.991060492767811 0.000000000000000 c 0.000000000000000 0.000000000000000 21.262330020000000 Atomic positions (fractional): *1 O 0.66666666666667 0.33333333333333 0.00551813393349 15.999 > 1 2 O 0.00000000000000 0.00000000000000 0.32781519939984 15.999 > 2 *3 O 0.49415910601780 0.50584089398220 0.23219817309029 15.999 > 3 4 O 0.01168178796439 0.50584089398220 0.23219817309029 15.999 > 4 5 O 0.49415910601780 0.98831821203561 0.23219817309029 15.999 > 5 6 O 0.65498487870227 0.82749243935114 0.10113516024304 15.999 > 6 7 O 0.17250756064886 0.82749243935114 0.10113516024304 15.999 > 7 8 O 0.17250756064886 0.34501512129772 0.10113516024304 15.999 > 8 9 O 0.33333333333333 0.66666666666667 0.33885146726683 15.999 > 1 10 O 0.66666666666667 0.33333333333333 0.66114853273317 15.999 > 2 11 O 0.16082577268447 0.83917422731553 0.56553150642362 15.999 > 3 12 O 0.67834845463106 0.83917422731553 0.56553150642362 15.999 > 4 13 O 0.16082577268447 0.32165154536894 0.56553150642362 15.999 > 5 14 O 0.32165154536894 0.16082577268447 0.43446849357638 15.999 > 6 15 O 0.83917422731553 0.16082577268447 0.43446849357638 15.999 > 7 16 O 0.83917422731553 0.67834845463106 0.43446849357638 15.999 > 8 17 O 0.00000000000000 0.00000000000000 0.67218480060016 15.999 > 1 18 O 0.33333333333333 0.66666666666667 0.99448186606651 15.999 > 2 19 O 0.82749243935114 0.17250756064886 0.89886483975695 15.999 > 3 20 O 0.34501512129772 0.17250756064886 0.89886483975695 15.999 > 4 21 O 0.82749243935114 0.65498487870227 0.89886483975695 15.999 > 5 22 O 0.98831821203561 0.49415910601780 0.76780182690971 15.999 > 6 23 O 0.50584089398220 0.49415910601780 0.76780182690971 15.999 > 7 24 O 0.50584089398220 0.01168178796439 0.76780182690971 15.999 > 8 *25 As 0.33333333333333 0.66666666666667 0.25930305211771 74.922 > 9 26 As 0.33333333333333 0.66666666666667 0.07403028121562 74.922 > 10 27 As 0.00000000000000 0.00000000000000 0.59263638545104 74.922 > 9 28 As 0.00000000000000 0.00000000000000 0.40736361454896 74.922 > 10 29 As 0.66666666666667 0.33333333333333 0.92596971878437 74.922 > 9 30 As 0.66666666666667 0.33333333333333 0.74069694788229 74.922 > 10 *31 Ba 0.66666666666667 0.33333333333333 0.12723306825921 137.327 > 11 32 Ba 0.00000000000000 0.00000000000000 0.20610026507412 137.327 > 12 *33 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 > 13 34 Ba 0.33333333333333 0.66666666666667 0.46056640159254 137.327 > 11 35 Ba 0.66666666666667 0.33333333333333 0.53943359840746 137.327 > 12 36 Ba 0.66666666666667 0.33333333333333 0.33333333333333 137.327 > 13 37 Ba 0.00000000000000 0.00000000000000 0.79389973492587 137.327 > 11 38 Ba 0.33333333333333 0.66666666666667 0.87276693174079 137.327 > 12 39 Ba 0.33333333333333 0.66666666666667 0.66666666666667 137.327 > 13 -------------------------------- super cell -------------------------------- Lattice vectors: a 5.763180238082404 0.000000000000000 0.000000000000000 b -2.881590119041202 4.991060492767811 0.000000000000000 c 0.000000000000000 0.000000000000000 21.262330020000000 Atomic positions (fractional): *1 O 0.66666666666667 0.33333333333333 0.00551813393349 15.999 > 1 2 O 0.00000000000000 0.00000000000000 0.32781519939984 15.999 > 2 *3 O 0.49415910601780 0.50584089398220 0.23219817309029 15.999 > 3 4 O 0.01168178796439 0.50584089398220 0.23219817309029 15.999 > 4 5 O 0.49415910601780 0.98831821203561 0.23219817309029 15.999 > 5 6 O 0.65498487870227 0.82749243935114 0.10113516024304 15.999 > 6 7 O 0.17250756064886 0.82749243935114 0.10113516024304 15.999 > 7 8 O 0.17250756064886 0.34501512129772 0.10113516024304 15.999 > 8 9 O 0.33333333333333 0.66666666666667 0.33885146726683 15.999 > 1 10 O 0.66666666666667 0.33333333333333 0.66114853273317 15.999 > 2 11 O 0.16082577268447 0.83917422731553 0.56553150642362 15.999 > 3 12 O 0.67834845463106 0.83917422731553 0.56553150642362 15.999 > 4 13 O 0.16082577268447 0.32165154536894 0.56553150642362 15.999 > 5 14 O 0.32165154536894 0.16082577268447 0.43446849357638 15.999 > 6 15 O 0.83917422731553 0.16082577268447 0.43446849357638 15.999 > 7 16 O 0.83917422731553 0.67834845463106 0.43446849357638 15.999 > 8 17 O 0.00000000000000 0.00000000000000 0.67218480060016 15.999 > 1 18 O 0.33333333333333 0.66666666666667 0.99448186606651 15.999 > 2 19 O 0.82749243935114 0.17250756064886 0.89886483975695 15.999 > 3 20 O 0.34501512129772 0.17250756064886 0.89886483975695 15.999 > 4 21 O 0.82749243935114 0.65498487870227 0.89886483975695 15.999 > 5 22 O 0.98831821203561 0.49415910601780 0.76780182690971 15.999 > 6 23 O 0.50584089398220 0.49415910601780 0.76780182690971 15.999 > 7 24 O 0.50584089398220 0.01168178796439 0.76780182690971 15.999 > 8 *25 As 0.33333333333333 0.66666666666667 0.25930305211771 74.922 > 9 26 As 0.33333333333333 0.66666666666667 0.07403028121562 74.922 > 10 27 As 0.00000000000000 0.00000000000000 0.59263638545104 74.922 > 9 28 As 0.00000000000000 0.00000000000000 0.40736361454896 74.922 > 10 29 As 0.66666666666667 0.33333333333333 0.92596971878437 74.922 > 9 30 As 0.66666666666667 0.33333333333333 0.74069694788229 74.922 > 10 *31 Ba 0.66666666666667 0.33333333333333 0.12723306825921 137.327 > 11 32 Ba 0.00000000000000 0.00000000000000 0.20610026507412 137.327 > 12 *33 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 > 13 34 Ba 0.33333333333333 0.66666666666667 0.46056640159254 137.327 > 11 35 Ba 0.66666666666667 0.33333333333333 0.53943359840746 137.327 > 12 36 Ba 0.66666666666667 0.33333333333333 0.33333333333333 137.327 > 13 37 Ba 0.00000000000000 0.00000000000000 0.79389973492587 137.327 > 11 38 Ba 0.33333333333333 0.66666666666667 0.87276693174079 137.327 > 12 39 Ba 0.33333333333333 0.66666666666667 0.66666666666667 137.327 > 13 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.5323043 0.0000000 0.0000000 -0.0000000 3.5323043 0.0000000 0.0000000 0.0000000 3.6054823 -------------------------- Born effective charges -------------------------- 1 O -1.3809931 0.0000000 -0.0000000 -0.0000000 -1.3809931 0.0000000 0.0000000 -0.0000000 -2.7435614 2 O -1.3809931 0.0000000 -0.0000000 -0.0000000 -1.3809931 0.0000000 0.0000000 -0.0000000 -2.7435614 3 O -2.1809931 0.3051555 0.2514269 0.3051555 -1.8286300 -0.1451614 0.3073867 -0.1774698 -1.7037533 4 O -2.1809931 -0.3051555 -0.2514269 -0.3051555 -1.8286300 -0.1451614 -0.3073867 -0.1774698 -1.7037533 5 O -1.6524484 0.0000000 -0.0000000 0.0000000 -2.3571747 0.2903228 -0.0000000 0.3549396 -1.7037533 6 O -2.1809931 -0.3051555 -0.2514269 -0.3051555 -1.8286300 -0.1451614 -0.3073867 -0.1774698 -1.7037533 7 O -2.1809931 0.3051555 0.2514269 0.3051555 -1.8286300 -0.1451614 0.3073867 -0.1774698 -1.7037533 8 O -1.6524484 0.0000000 -0.0000000 0.0000000 -2.3571747 0.2903228 -0.0000000 0.3549396 -1.7037533 9 As 3.2561592 0.0000000 -0.0000000 -0.0000000 3.2561592 0.0000000 0.0000000 -0.0000000 3.3204520 10 As 3.2561592 0.0000000 -0.0000000 -0.0000000 3.2561592 0.0000000 0.0000000 -0.0000000 3.3204520 11 Ba 2.7769927 -0.0000000 -0.0000000 -0.0000000 2.7769927 0.0000000 0.0000000 -0.0000000 3.1681481 12 Ba 2.7769927 -0.0000000 -0.0000000 -0.0000000 2.7769927 0.0000000 0.0000000 -0.0000000 3.1681481 13 Ba 2.7245517 -0.0000000 -0.0000000 -0.0000000 2.7245517 0.0000000 0.0000000 -0.0000000 2.7324427 ---------------------------------------------------------------------------- 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: 117/117 Permutation basis: 2955/2955 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 247 Number of blocks in projector: 278 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 112 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 75 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 60 Use standard eigh solver. Tree of FC basis block matrices: - (247, 234), data: False |-- (60, 58), data: True |-- (75, 70), data: True |-- (112, 106), data: True ----- Solver_atoms: 1 -- 39 / 39 Time (Solver_compr_matrix_reshape): 0.001 Solver_block: 100 / 160 - Time: 0.048 Solver_block: 160 / 160 - Time: 0.030 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.080 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 117/117 Permutation basis: 2955/2955 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 247 Number of blocks in projector: 278 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 112 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 75 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 60 Use standard eigh solver. Tree of FC basis block matrices: - (247, 234), data: False |-- (60, 58), data: True |-- (75, 70), data: True |-- (112, 106), 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 2026-01-07 23:33:21]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:33:22]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.881590119041205 1.663686830922602 7.087443339999993 b -2.881590119041199 1.663686830922602 7.087443339999993 c 0.000000000000003 -3.327373661845209 7.087443339999993 Atomic positions (fractional): 1 O 0.67218480060016 0.67218480060016 0.67218480060016 15.999 2 O 0.32781519939984 0.32781519939984 0.32781519939984 15.999 3 O 0.72635727910809 0.24387996105468 0.72635727910809 15.999 4 O 0.24387996105468 0.72635727910809 0.72635727910809 15.999 5 O 0.72635727910809 0.72635727910809 0.24387996105468 15.999 6 O 0.75612003894532 0.27364272089191 0.27364272089191 15.999 7 O 0.27364272089191 0.75612003894532 0.27364272089191 15.999 8 O 0.27364272089191 0.27364272089191 0.75612003894532 15.999 9 As 0.59263638545104 0.59263638545104 0.59263638545104 74.922 10 As 0.40736361454896 0.40736361454896 0.40736361454896 74.922 11 Ba 0.79389973492587 0.79389973492587 0.79389973492587 137.327 12 Ba 0.20610026507412 0.20610026507413 0.20610026507412 137.327 13 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 5.763180238082404 0.000000000000000 0.000000000000000 b -2.881590119041202 4.991060492767811 0.000000000000000 c 0.000000000000000 0.000000000000000 21.262330020000000 Atomic positions (fractional): 1 O 0.66666666666667 0.33333333333333 0.00551813393349 15.999 > 1 2 O 0.00000000000000 0.00000000000000 0.32781519939984 15.999 > 2 3 O 0.49415910601780 0.50584089398220 0.23219817309029 15.999 > 3 4 O 0.01168178796439 0.50584089398220 0.23219817309029 15.999 > 4 5 O 0.49415910601780 0.98831821203561 0.23219817309029 15.999 > 5 6 O 0.65498487870227 0.82749243935114 0.10113516024304 15.999 > 6 7 O 0.17250756064886 0.82749243935114 0.10113516024304 15.999 > 7 8 O 0.17250756064886 0.34501512129772 0.10113516024304 15.999 > 8 9 O 0.33333333333333 0.66666666666667 0.33885146726683 15.999 > 1 10 O 0.66666666666667 0.33333333333333 0.66114853273317 15.999 > 2 11 O 0.16082577268447 0.83917422731553 0.56553150642362 15.999 > 3 12 O 0.67834845463106 0.83917422731553 0.56553150642362 15.999 > 4 13 O 0.16082577268447 0.32165154536894 0.56553150642362 15.999 > 5 14 O 0.32165154536894 0.16082577268447 0.43446849357638 15.999 > 6 15 O 0.83917422731553 0.16082577268447 0.43446849357638 15.999 > 7 16 O 0.83917422731553 0.67834845463106 0.43446849357638 15.999 > 8 17 O 0.00000000000000 0.00000000000000 0.67218480060016 15.999 > 1 18 O 0.33333333333333 0.66666666666667 0.99448186606651 15.999 > 2 19 O 0.82749243935114 0.17250756064886 0.89886483975695 15.999 > 3 20 O 0.34501512129772 0.17250756064886 0.89886483975695 15.999 > 4 21 O 0.82749243935114 0.65498487870227 0.89886483975695 15.999 > 5 22 O 0.98831821203561 0.49415910601780 0.76780182690971 15.999 > 6 23 O 0.50584089398220 0.49415910601780 0.76780182690971 15.999 > 7 24 O 0.50584089398220 0.01168178796439 0.76780182690971 15.999 > 8 25 As 0.33333333333333 0.66666666666667 0.25930305211771 74.922 > 25 26 As 0.33333333333333 0.66666666666667 0.07403028121562 74.922 > 26 27 As 0.00000000000000 0.00000000000000 0.59263638545104 74.922 > 25 28 As 0.00000000000000 0.00000000000000 0.40736361454896 74.922 > 26 29 As 0.66666666666667 0.33333333333333 0.92596971878437 74.922 > 25 30 As 0.66666666666667 0.33333333333333 0.74069694788229 74.922 > 26 31 Ba 0.66666666666667 0.33333333333333 0.12723306825921 137.327 > 31 32 Ba 0.00000000000000 0.00000000000000 0.20610026507412 137.327 > 32 33 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 > 33 34 Ba 0.33333333333333 0.66666666666667 0.46056640159254 137.327 > 31 35 Ba 0.66666666666667 0.33333333333333 0.53943359840746 137.327 > 32 36 Ba 0.66666666666667 0.33333333333333 0.33333333333333 137.327 > 33 37 Ba 0.00000000000000 0.00000000000000 0.79389973492587 137.327 > 31 38 Ba 0.33333333333333 0.66666666666667 0.87276693174079 137.327 > 32 39 Ba 0.33333333333333 0.66666666666667 0.66666666666667 137.327 > 33 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.5323043 0.0000000 0.0000000 -0.0000000 3.5323043 0.0000000 0.0000000 0.0000000 3.6054823 -------------------------- Born effective charges -------------------------- 1 O -1.3809931 0.0000000 -0.0000000 -0.0000000 -1.3809931 0.0000000 0.0000000 -0.0000000 -2.7435614 2 O -1.3809931 0.0000000 -0.0000000 -0.0000000 -1.3809931 0.0000000 0.0000000 -0.0000000 -2.7435614 3 O -2.1809931 0.3051555 0.2514269 0.3051555 -1.8286300 -0.1451614 0.3073867 -0.1774698 -1.7037533 4 O -2.1809931 -0.3051555 -0.2514269 -0.3051555 -1.8286300 -0.1451614 -0.3073867 -0.1774698 -1.7037533 5 O -1.6524484 0.0000000 -0.0000000 0.0000000 -2.3571747 0.2903228 -0.0000000 0.3549396 -1.7037533 6 O -2.1809931 -0.3051555 -0.2514269 -0.3051555 -1.8286300 -0.1451614 -0.3073867 -0.1774698 -1.7037533 7 O -2.1809931 0.3051555 0.2514269 0.3051555 -1.8286300 -0.1451614 0.3073867 -0.1774698 -1.7037533 8 O -1.6524484 0.0000000 -0.0000000 0.0000000 -2.3571747 0.2903228 -0.0000000 0.3549396 -1.7037533 9 As 3.2561592 0.0000000 -0.0000000 -0.0000000 3.2561592 0.0000000 0.0000000 -0.0000000 3.3204520 10 As 3.2561592 0.0000000 -0.0000000 -0.0000000 3.2561592 0.0000000 0.0000000 -0.0000000 3.3204520 11 Ba 2.7769927 -0.0000000 -0.0000000 -0.0000000 2.7769927 0.0000000 0.0000000 -0.0000000 3.1681481 12 Ba 2.7769927 -0.0000000 -0.0000000 -0.0000000 2.7769927 0.0000000 0.0000000 -0.0000000 3.1681481 13 Ba 2.7245517 -0.0000000 -0.0000000 -0.0000000 2.7245517 0.0000000 0.0000000 -0.0000000 2.7324427 ---------------------------------------------------------------------------- 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 3, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 31, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xzx) 0.00000000 (xzx) 0.00000000 (xxz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:33:24]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:33:25]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.881590119041205 1.663686830922602 7.087443339999993 b -2.881590119041199 1.663686830922602 7.087443339999993 c 0.000000000000003 -3.327373661845209 7.087443339999993 Atomic positions (fractional): 1 O 0.67218480060016 0.67218480060016 0.67218480060016 15.999 2 O 0.32781519939984 0.32781519939984 0.32781519939984 15.999 3 O 0.72635727910809 0.24387996105468 0.72635727910809 15.999 4 O 0.24387996105468 0.72635727910809 0.72635727910809 15.999 5 O 0.72635727910809 0.72635727910809 0.24387996105468 15.999 6 O 0.75612003894532 0.27364272089191 0.27364272089191 15.999 7 O 0.27364272089191 0.75612003894532 0.27364272089191 15.999 8 O 0.27364272089191 0.27364272089191 0.75612003894532 15.999 9 As 0.59263638545104 0.59263638545104 0.59263638545104 74.922 10 As 0.40736361454896 0.40736361454896 0.40736361454896 74.922 11 Ba 0.79389973492587 0.79389973492587 0.79389973492587 137.327 12 Ba 0.20610026507412 0.20610026507413 0.20610026507412 137.327 13 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 5.763180238082404 0.000000000000000 0.000000000000000 b -2.881590119041202 4.991060492767811 0.000000000000000 c 0.000000000000000 0.000000000000000 21.262330020000000 Atomic positions (fractional): 1 O 0.66666666666667 0.33333333333333 0.00551813393349 15.999 > 1 2 O 0.00000000000000 0.00000000000000 0.32781519939984 15.999 > 2 3 O 0.49415910601780 0.50584089398220 0.23219817309029 15.999 > 3 4 O 0.01168178796439 0.50584089398220 0.23219817309029 15.999 > 4 5 O 0.49415910601780 0.98831821203561 0.23219817309029 15.999 > 5 6 O 0.65498487870227 0.82749243935114 0.10113516024304 15.999 > 6 7 O 0.17250756064886 0.82749243935114 0.10113516024304 15.999 > 7 8 O 0.17250756064886 0.34501512129772 0.10113516024304 15.999 > 8 9 O 0.33333333333333 0.66666666666667 0.33885146726683 15.999 > 1 10 O 0.66666666666667 0.33333333333333 0.66114853273317 15.999 > 2 11 O 0.16082577268447 0.83917422731553 0.56553150642362 15.999 > 3 12 O 0.67834845463106 0.83917422731553 0.56553150642362 15.999 > 4 13 O 0.16082577268447 0.32165154536894 0.56553150642362 15.999 > 5 14 O 0.32165154536894 0.16082577268447 0.43446849357638 15.999 > 6 15 O 0.83917422731553 0.16082577268447 0.43446849357638 15.999 > 7 16 O 0.83917422731553 0.67834845463106 0.43446849357638 15.999 > 8 17 O 0.00000000000000 0.00000000000000 0.67218480060016 15.999 > 1 18 O 0.33333333333333 0.66666666666667 0.99448186606651 15.999 > 2 19 O 0.82749243935114 0.17250756064886 0.89886483975695 15.999 > 3 20 O 0.34501512129772 0.17250756064886 0.89886483975695 15.999 > 4 21 O 0.82749243935114 0.65498487870227 0.89886483975695 15.999 > 5 22 O 0.98831821203561 0.49415910601780 0.76780182690971 15.999 > 6 23 O 0.50584089398220 0.49415910601780 0.76780182690971 15.999 > 7 24 O 0.50584089398220 0.01168178796439 0.76780182690971 15.999 > 8 25 As 0.33333333333333 0.66666666666667 0.25930305211771 74.922 > 25 26 As 0.33333333333333 0.66666666666667 0.07403028121562 74.922 > 26 27 As 0.00000000000000 0.00000000000000 0.59263638545104 74.922 > 25 28 As 0.00000000000000 0.00000000000000 0.40736361454896 74.922 > 26 29 As 0.66666666666667 0.33333333333333 0.92596971878437 74.922 > 25 30 As 0.66666666666667 0.33333333333333 0.74069694788229 74.922 > 26 31 Ba 0.66666666666667 0.33333333333333 0.12723306825921 137.327 > 31 32 Ba 0.00000000000000 0.00000000000000 0.20610026507412 137.327 > 32 33 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 > 33 34 Ba 0.33333333333333 0.66666666666667 0.46056640159254 137.327 > 31 35 Ba 0.66666666666667 0.33333333333333 0.53943359840746 137.327 > 32 36 Ba 0.66666666666667 0.33333333333333 0.33333333333333 137.327 > 33 37 Ba 0.00000000000000 0.00000000000000 0.79389973492587 137.327 > 31 38 Ba 0.33333333333333 0.66666666666667 0.87276693174079 137.327 > 32 39 Ba 0.33333333333333 0.66666666666667 0.66666666666667 137.327 > 33 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.5323043 0.0000000 0.0000000 -0.0000000 3.5323043 0.0000000 0.0000000 0.0000000 3.6054823 -------------------------- Born effective charges -------------------------- 1 O -1.3809931 0.0000000 -0.0000000 -0.0000000 -1.3809931 0.0000000 0.0000000 -0.0000000 -2.7435614 2 O -1.3809931 0.0000000 -0.0000000 -0.0000000 -1.3809931 0.0000000 0.0000000 -0.0000000 -2.7435614 3 O -2.1809931 0.3051555 0.2514269 0.3051555 -1.8286300 -0.1451614 0.3073867 -0.1774698 -1.7037533 4 O -2.1809931 -0.3051555 -0.2514269 -0.3051555 -1.8286300 -0.1451614 -0.3073867 -0.1774698 -1.7037533 5 O -1.6524484 0.0000000 -0.0000000 0.0000000 -2.3571747 0.2903228 -0.0000000 0.3549396 -1.7037533 6 O -2.1809931 -0.3051555 -0.2514269 -0.3051555 -1.8286300 -0.1451614 -0.3073867 -0.1774698 -1.7037533 7 O -2.1809931 0.3051555 0.2514269 0.3051555 -1.8286300 -0.1451614 0.3073867 -0.1774698 -1.7037533 8 O -1.6524484 0.0000000 -0.0000000 0.0000000 -2.3571747 0.2903228 -0.0000000 0.3549396 -1.7037533 9 As 3.2561592 0.0000000 -0.0000000 -0.0000000 3.2561592 0.0000000 0.0000000 -0.0000000 3.3204520 10 As 3.2561592 0.0000000 -0.0000000 -0.0000000 3.2561592 0.0000000 0.0000000 -0.0000000 3.3204520 11 Ba 2.7769927 -0.0000000 -0.0000000 -0.0000000 2.7769927 0.0000000 0.0000000 -0.0000000 3.1681481 12 Ba 2.7769927 -0.0000000 -0.0000000 -0.0000000 2.7769927 0.0000000 0.0000000 -0.0000000 3.1681481 13 Ba 2.7245517 -0.0000000 -0.0000000 -0.0000000 2.7245517 0.0000000 0.0000000 -0.0000000 2.7324427 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xzx) 0.00000000 (xzx) 0.00000000 (xxz) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 10 10 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.71, Number of G-points: 281, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/116) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 116 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 1.073 ( 0.000 0.000 0.000) 0.000 1.073 ( 0.000 0.000 0.000) 0.000 3.020 ( 0.000 0.000 0.000) 0.000 3.020 ( 0.000 0.000 0.000) 0.000 3.033 ( 0.000 0.000 0.000) 0.000 3.115 ( 0.000 0.000 0.000) 0.000 3.115 ( 0.000 0.000 0.000) 0.000 3.117 ( 0.000 0.000 0.000) 0.000 3.575 ( 0.000 0.000 0.000) 0.000 3.575 ( 0.000 0.000 0.000) 0.000 3.775 ( 0.000 0.000 0.000) 0.000 4.202 ( 0.000 0.000 0.000) 0.000 4.634 ( 0.000 0.000 0.000) 0.000 5.009 ( 0.000 0.000 0.000) 0.000 5.073 ( 0.000 0.000 0.000) 0.000 5.073 ( 0.000 0.000 0.000) 0.000 5.304 ( 0.000 0.000 0.000) 0.000 5.304 ( 0.000 0.000 0.000) 0.000 9.149 ( 0.000 0.000 0.000) 0.000 9.149 ( 0.000 0.000 0.000) 0.000 9.884 ( 0.000 0.000 0.000) 0.000 9.884 ( 0.000 0.000 0.000) 0.000 10.687 ( 0.000 0.000 0.000) 0.000 10.687 ( 0.000 0.000 0.000) 0.000 10.928 ( 0.000 0.000 0.000) 0.000 11.223 ( 0.000 0.000 0.000) 0.000 11.223 ( 0.000 0.000 0.000) 0.000 13.470 ( 0.000 0.000 0.000) 0.000 22.109 ( 0.000 0.000 0.000) 0.000 22.109 ( 0.000 0.000 0.000) 0.000 22.172 ( 0.000 0.000 0.000) 0.000 22.172 ( 0.000 0.000 0.000) 0.000 22.708 ( 0.000 0.000 0.000) 0.000 23.140 ( 0.000 0.000 0.000) 0.000 23.552 ( 0.000 0.000 0.000) 0.000 23.954 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/116) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.537 ( 21.019 12.135 10.025) 26.260 0.552 ( 22.159 12.793 6.394) 26.374 0.715 ( 27.650 15.964 14.082) 34.895 1.167 ( 8.142 4.701 -2.287) 9.676 1.729 ( 8.395 4.847 -6.698) 11.783 2.927 ( -3.685 -2.128 -8.032) 9.090 3.031 ( -0.709 -0.409 1.335) 1.566 3.092 ( -1.462 -0.844 -1.005) 1.965 3.150 ( 2.091 1.207 3.138) 3.960 3.206 ( 4.370 2.523 3.426) 6.099 3.516 ( -3.918 -2.262 0.357) 4.538 3.550 ( -1.291 -0.745 -3.630) 3.924 3.858 ( 5.864 3.386 -0.258) 6.777 4.129 ( 7.771 4.487 -38.070) 39.114 4.182 ( -1.282 -0.740 -3.132) 3.464 4.682 ( -7.198 -4.156 23.578) 25.000 4.999 ( -0.792 -0.457 -0.821) 1.229 5.058 ( -1.178 -0.680 -0.269) 1.387 5.286 ( -1.518 -0.876 0.066) 1.754 5.340 ( 3.138 1.812 -1.088) 3.784 6.007 ( -7.665 -4.425 0.887) 8.895 9.127 ( -1.769 -1.021 -0.831) 2.205 9.169 ( 1.660 0.959 -0.453) 1.970 9.888 ( 0.226 0.130 0.844) 0.884 10.002 ( 4.262 2.461 -2.220) 5.399 10.681 ( -0.640 -0.370 0.762) 1.061 10.881 ( -0.427 -0.247 -7.082) 7.099 11.224 ( 0.239 0.138 -0.672) 0.727 11.277 ( 4.198 2.424 0.654) 4.892 12.048 ( -3.278 -1.892 18.271) 18.659 13.422 ( -3.985 -2.301 -0.667) 4.650 22.090 ( -1.000 -0.577 -1.441) 1.846 22.137 ( 2.557 1.476 -0.499) 2.994 22.192 ( 1.018 0.588 1.523) 1.924 22.693 ( 3.029 1.749 -10.089) 10.679 23.122 ( -1.624 -0.937 0.766) 2.025 23.563 ( 1.045 0.604 -0.675) 1.383 23.705 ( 6.646 3.837 -45.363) 46.008 24.260 ( -13.685 -7.901 60.217) 62.256 ======================= Grid point 2 (3/116) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( 20.332 11.739 9.222) 25.223 1.073 ( 20.089 11.599 5.353) 23.807 1.400 ( 25.791 14.891 12.669) 32.364 1.402 ( 12.674 7.318 -2.610) 14.866 1.945 ( 11.510 6.645 -3.171) 13.663 2.805 ( -3.450 -1.992 -8.032) 8.966 2.992 ( -3.043 -1.757 0.596) 3.564 3.067 ( 0.031 0.018 -1.157) 1.157 3.221 ( 2.118 1.223 2.224) 3.305 3.304 ( 1.583 0.914 2.592) 3.172 3.445 ( -0.945 -0.546 2.004) 2.282 3.488 ( -2.284 -1.319 -4.357) 5.093 4.007 ( 6.998 4.040 -1.618) 8.240 4.091 ( -3.267 -1.886 -2.871) 4.740 4.147 ( 2.731 1.577 -16.536) 16.834 4.613 ( -5.383 -3.108 10.309) 12.038 4.965 ( -1.433 -0.828 -2.136) 2.702 5.019 ( -1.970 -1.137 -0.169) 2.281 5.240 ( -2.354 -1.359 0.224) 2.728 5.424 ( 4.308 2.487 -1.721) 5.264 5.765 ( -13.229 -7.638 1.473) 15.346 9.064 ( -3.007 -1.736 -1.332) 3.719 9.216 ( 2.508 1.448 -0.816) 3.009 9.901 ( 0.348 0.201 1.336) 1.395 10.120 ( 6.356 3.669 -1.977) 7.600 10.666 ( -1.052 -0.607 1.259) 1.749 10.835 ( -1.620 -0.935 -0.587) 1.961 11.228 ( 0.384 0.221 -1.118) 1.202 11.408 ( 6.632 3.829 0.469) 7.672 12.059 ( -1.508 -0.871 9.528) 9.685 13.287 ( -7.016 -4.050 -1.569) 8.252 22.059 ( -0.996 -0.575 -1.413) 1.822 22.220 ( 4.806 2.775 -0.968) 5.634 22.224 ( 1.025 0.592 1.546) 1.947 22.722 ( 2.075 1.198 -3.360) 4.127 23.077 ( -2.659 -1.535 1.813) 3.566 23.584 ( 1.146 0.662 -8.358) 8.463 23.630 ( 0.798 0.461 -15.776) 15.803 24.213 ( -8.533 -4.927 29.388) 30.996 ======================= Grid point 3 (4/116) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( 14.345 8.282 2.048) 16.690 1.555 ( 18.620 10.750 7.847) 22.888 1.721 ( 15.476 8.935 0.228) 17.872 1.998 ( 19.963 11.526 8.810) 24.678 2.197 ( 10.691 6.172 0.312) 12.348 2.695 ( -3.245 -1.874 -5.968) 7.046 2.912 ( -3.970 -2.292 -0.295) 4.594 3.089 ( 3.279 1.893 -1.833) 4.207 3.185 ( -4.784 -2.762 -4.112) 6.887 3.335 ( 0.676 0.390 7.687) 7.727 3.411 ( -2.986 -1.724 -2.153) 4.065 3.522 ( 4.831 2.789 1.607) 5.806 3.986 ( -4.612 -2.663 -0.231) 5.330 4.120 ( 0.547 0.316 -13.219) 13.234 4.146 ( 5.525 3.190 -3.262) 7.165 4.539 ( -4.072 -2.351 5.288) 7.076 4.918 ( -1.455 -0.840 -3.117) 3.541 4.975 ( -1.612 -0.931 0.443) 1.913 5.186 ( -2.306 -1.332 0.377) 2.690 5.413 ( -13.451 -7.766 -0.269) 15.534 5.531 ( 1.546 0.893 1.076) 2.085 8.984 ( -3.207 -1.852 -1.323) 3.932 9.270 ( 2.437 1.407 -0.922) 2.961 9.915 ( 0.328 0.190 1.307) 1.361 10.250 ( 5.053 2.917 -2.398) 6.308 10.647 ( -1.088 -0.628 1.278) 1.792 10.818 ( 0.149 0.086 2.468) 2.474 11.231 ( 0.389 0.225 -1.146) 1.231 11.575 ( 7.465 4.310 -0.269) 8.623 12.061 ( -1.869 -1.079 6.946) 7.273 13.099 ( -7.909 -4.566 -2.446) 9.454 22.032 ( -0.747 -0.431 -1.043) 1.354 22.251 ( 0.775 0.447 1.175) 1.477 22.346 ( 6.474 3.738 -1.490) 7.623 22.748 ( 0.597 0.345 -0.090) 0.695 23.023 ( -2.742 -1.583 2.630) 4.115 23.483 ( -2.528 -1.460 -15.093) 15.373 23.656 ( 2.734 1.578 -1.609) 3.543 24.146 ( -6.701 -3.869 17.643) 19.265 ======================= Grid point 4 (5/116) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.748 ( 7.091 4.094 -0.195) 8.190 1.983 ( 15.176 8.762 5.547) 18.381 2.091 ( 14.898 8.601 2.118) 17.333 2.271 ( 3.855 2.226 -0.643) 4.498 2.488 ( 8.336 4.813 7.812) 12.397 2.590 ( -4.511 -2.605 -2.787) 5.908 2.816 ( -1.475 -0.852 -5.069) 5.348 3.034 ( -5.713 -3.298 -3.191) 7.328 3.220 ( 6.325 3.652 1.802) 7.522 3.335 ( -2.161 -1.247 0.686) 2.587 3.381 ( 0.660 0.381 4.031) 4.103 3.630 ( 3.407 1.967 1.371) 4.166 3.901 ( -2.441 -1.410 1.008) 2.994 4.036 ( -2.740 -1.582 -11.431) 11.861 4.221 ( 2.359 1.362 -3.171) 4.180 4.482 ( -2.156 -1.245 2.192) 3.317 4.877 ( -0.663 -0.383 -2.876) 2.976 4.957 ( -0.257 -0.149 0.739) 0.796 5.095 ( -12.074 -6.971 2.204) 14.115 5.142 ( -1.556 -0.898 0.329) 1.827 5.587 ( 1.909 1.102 -0.110) 2.207 8.915 ( -2.096 -1.210 -0.817) 2.554 9.314 ( 1.543 0.891 -0.627) 1.889 9.927 ( 0.193 0.112 0.797) 0.828 10.315 ( 1.602 0.925 -1.686) 2.503 10.630 ( -0.697 -0.402 0.793) 1.130 10.862 ( 2.087 1.205 2.320) 3.345 11.234 ( 0.247 0.143 -0.718) 0.773 11.739 ( 6.669 3.850 -1.155) 7.787 12.031 ( -3.227 -1.863 5.094) 6.311 12.925 ( -5.463 -3.154 -2.216) 6.686 22.015 ( -0.396 -0.229 -0.547) 0.713 22.270 ( 0.413 0.238 0.628) 0.789 22.498 ( 7.156 4.132 -2.293) 8.576 22.733 ( -2.689 -1.553 2.609) 4.056 22.982 ( -1.559 -0.900 1.806) 2.550 23.366 ( -2.281 -1.317 -8.682) 9.073 23.713 ( 2.546 1.470 -1.645) 3.368 24.077 ( -4.463 -2.577 9.305) 10.636 ======================= Grid point 5 (6/116) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.830 ( 0.000 0.000 0.000) 0.000 2.259 ( 0.000 0.000 0.000) 0.000 2.264 ( -0.000 -0.000 -0.000) 0.000 2.352 ( 0.000 0.000 0.000) 0.000 2.463 ( 0.000 0.000 0.000) 0.000 2.524 ( 0.000 0.000 0.000) 0.000 2.842 ( 0.000 0.000 0.000) 0.000 2.948 ( 0.000 0.000 0.000) 0.000 3.241 ( 0.000 0.000 0.000) 0.000 3.392 ( 0.000 0.000 0.000) 0.000 3.399 ( 0.000 0.000 -0.000) 0.000 3.676 ( 0.000 0.000 0.000) 0.000 3.889 ( 0.000 0.000 0.000) 0.000 3.939 ( 0.000 0.000 0.000) 0.000 4.238 ( 0.000 0.000 0.000) 0.000 4.462 ( 0.000 0.000 0.000) 0.000 4.865 ( -0.000 -0.000 0.000) 0.000 4.945 ( 0.000 0.000 0.000) 0.000 4.959 ( 0.000 0.000 0.000) 0.000 5.123 ( 0.000 0.000 0.000) 0.000 5.609 ( 0.000 0.000 -0.000) 0.000 8.887 ( 0.000 0.000 0.000) 0.000 9.331 ( 0.000 0.000 -0.000) 0.000 9.931 ( 0.000 0.000 0.000) 0.000 10.326 ( 0.000 0.000 0.000) 0.000 10.624 ( 0.000 0.000 0.000) 0.000 10.899 ( 0.000 0.000 -0.000) 0.000 11.236 ( 0.000 0.000 -0.000) 0.000 11.834 ( 0.000 0.000 0.000) 0.000 11.986 ( 0.000 0.000 -0.000) 0.000 12.853 ( 0.000 0.000 0.000) 0.000 22.009 ( 0.000 0.000 -0.000) 0.000 22.276 ( 0.000 0.000 0.000) 0.000 22.633 ( -0.000 -0.000 0.000) 0.000 22.652 ( 0.000 0.000 -0.000) 0.000 22.969 ( 0.000 0.000 0.000) 0.000 23.316 ( 0.000 0.000 0.000) 0.000 23.742 ( 0.000 0.000 0.000) 0.000 24.043 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 12 (7/116) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.575 ( -0.000 23.781 9.327) 25.545 0.591 ( 0.000 22.938 13.830) 26.785 0.832 ( 0.000 26.754 28.985) 39.445 1.161 ( -0.000 9.755 -3.139) 10.247 1.691 ( -0.000 13.762 -11.329) 17.825 2.939 ( -0.000 -2.120 -8.768) 9.020 3.043 ( 0.000 -0.891 2.951) 3.082 3.068 ( -0.000 -1.434 -5.537) 5.719 3.111 ( 0.000 -1.261 1.617) 2.051 3.186 ( -0.000 5.420 -0.667) 5.461 3.532 ( 0.000 -4.292 2.388) 4.912 3.537 ( -0.000 -0.130 -6.542) 6.543 3.863 ( -0.000 7.230 0.502) 7.248 3.925 ( -0.000 19.436 -38.748) 43.349 4.180 ( 0.000 -2.455 0.256) 2.469 4.815 ( 0.000 -9.753 19.749) 22.026 4.993 ( -0.000 -0.981 -1.547) 1.831 5.061 ( 0.000 -1.228 0.090) 1.232 5.271 ( -0.000 -2.235 -2.023) 3.014 5.342 ( -0.000 3.844 -0.817) 3.929 5.995 ( 0.000 -9.390 -1.199) 9.466 9.136 ( 0.000 -1.537 0.417) 1.592 9.186 ( -0.000 3.061 0.942) 3.203 9.894 ( 0.000 0.206 1.633) 1.646 9.992 ( -0.000 5.723 -2.625) 6.296 10.665 ( -0.000 -1.447 -1.447) 2.046 10.841 ( -0.000 2.364 -8.325) 8.655 11.234 ( 0.000 0.762 0.620) 0.982 11.266 ( -0.000 4.454 -0.695) 4.508 12.132 ( 0.000 -12.423 23.311) 26.415 13.418 ( 0.000 -4.552 -1.197) 4.706 22.101 ( 0.000 -0.697 -0.093) 0.703 22.148 ( -0.000 3.487 0.773) 3.572 22.179 ( -0.000 0.650 -0.028) 0.651 22.608 ( -0.000 8.227 -18.023) 19.812 23.126 ( 0.000 -1.874 1.199) 2.225 23.540 ( -0.000 7.297 -18.190) 19.599 23.574 ( -0.000 6.091 -10.248) 11.921 24.519 ( 0.000 -26.961 52.195) 58.747 ======================= Grid point 13 (8/116) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( 13.010 19.916 8.383) 25.223 0.988 ( 11.214 20.301 11.252) 25.777 1.308 ( 8.620 15.806 4.781) 18.628 1.343 ( 10.426 19.563 15.091) 26.817 1.853 ( 6.641 12.772 -5.242) 15.320 2.817 ( -4.047 -0.688 -9.834) 10.656 3.027 ( -0.975 -1.642 -6.315) 6.598 3.042 ( -0.387 -1.872 2.305) 2.995 3.165 ( 5.279 -2.264 2.612) 6.310 3.270 ( 3.113 4.469 -1.356) 5.613 3.465 ( -2.878 -4.181 3.753) 6.313 3.493 ( -1.178 0.031 -6.416) 6.523 3.960 ( 2.892 6.226 -4.897) 8.432 4.006 ( 5.336 8.525 -15.744) 18.682 4.133 ( -2.109 -2.879 0.135) 3.571 4.740 ( -6.555 -4.960 12.078) 14.610 4.961 ( -1.006 -1.611 -2.953) 3.512 5.049 ( -0.770 -0.162 -0.011) 0.787 5.229 ( -0.115 -3.456 -1.492) 3.766 5.396 ( 1.722 4.118 -1.957) 4.874 5.827 ( -5.740 -12.830 -0.705) 14.073 9.116 ( -1.786 -0.633 -0.633) 1.998 9.200 ( -0.964 2.773 1.378) 3.243 9.912 ( 0.437 0.730 2.013) 2.185 10.071 ( 3.038 5.822 -1.682) 6.779 10.651 ( 0.860 -2.512 -0.832) 2.783 10.825 ( 0.038 -1.010 -2.732) 2.913 11.234 ( -0.621 1.489 0.058) 1.615 11.363 ( 4.435 5.722 -0.380) 7.249 12.105 ( -0.895 -6.256 12.619) 14.113 13.322 ( -3.834 -6.226 -1.928) 7.562 22.088 ( -1.845 0.702 -1.422) 2.432 22.144 ( 1.073 0.089 1.012) 1.478 22.253 ( 2.343 4.279 0.803) 4.944 22.653 ( 4.298 3.347 -9.355) 10.826 23.100 ( -1.231 -2.629 2.148) 3.611 23.526 ( -0.061 3.503 -15.378) 15.772 23.596 ( 0.662 3.180 -3.976) 5.134 24.411 ( -7.483 -14.965 31.589) 35.746 ======================= Grid point 14 (9/116) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.416 ( 11.231 15.810 3.810) 19.763 1.447 ( 13.985 16.423 9.947) 23.753 1.611 ( 11.887 15.334 -0.665) 19.413 1.873 ( 15.342 16.769 14.764) 27.103 2.099 ( 9.090 9.967 0.939) 13.523 2.712 ( -3.036 0.361 -8.330) 8.873 2.968 ( -2.446 -0.788 -1.098) 2.795 3.008 ( 0.992 -3.650 -3.903) 5.435 3.214 ( -0.712 -0.553 -1.385) 1.653 3.317 ( 1.730 -1.933 2.044) 3.303 3.416 ( -1.404 -2.594 -0.048) 2.950 3.486 ( 3.232 2.139 0.194) 3.881 3.999 ( 0.601 -0.920 -8.141) 8.215 4.035 ( -1.414 -1.399 -1.221) 2.335 4.146 ( 2.800 8.835 -5.934) 11.005 4.631 ( -6.224 -3.169 7.007) 9.894 4.903 ( -1.322 -2.386 -3.985) 4.829 5.027 ( -2.506 1.745 -0.051) 3.054 5.191 ( -0.145 -2.897 -0.533) 2.950 5.433 ( -0.165 -3.160 -3.806) 4.950 5.575 ( -6.836 -8.892 2.467) 11.484 9.053 ( -4.827 0.989 -0.787) 4.990 9.233 ( 1.782 0.807 0.712) 2.082 9.938 ( -0.128 1.820 1.764) 2.538 10.181 ( 4.476 3.610 -1.261) 5.887 10.633 ( 0.615 -3.155 -0.317) 3.230 10.804 ( 0.378 -2.282 0.595) 2.389 11.251 ( -0.173 3.302 -0.125) 3.308 11.512 ( 5.768 6.199 -0.683) 8.495 12.094 ( -0.380 -4.023 7.930) 8.900 13.153 ( -6.281 -6.840 -2.771) 9.692 22.054 ( -1.978 1.004 -1.198) 2.522 22.183 ( 3.399 -2.101 0.902) 4.096 22.349 ( 2.113 7.111 -0.054) 7.418 22.719 ( 3.554 2.087 -4.025) 5.761 23.056 ( -1.960 -3.020 3.339) 4.910 23.454 ( -2.613 0.841 -12.994) 13.281 23.630 ( 1.540 2.614 -2.142) 3.714 24.283 ( -6.693 -10.411 20.172) 23.666 ======================= Grid point 15 (10/116) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( 6.459 11.117 -0.035) 12.857 1.876 ( 13.136 13.159 7.412) 20.016 1.998 ( 12.194 15.974 3.231) 20.354 2.220 ( 5.875 5.909 0.106) 8.333 2.416 ( 12.321 9.762 10.710) 19.021 2.637 ( -3.127 1.424 -5.315) 6.329 2.860 ( -7.168 -2.217 -1.221) 7.602 3.040 ( 6.876 -3.831 -2.991) 8.420 3.116 ( -4.537 -1.945 -1.343) 5.115 3.349 ( -1.997 -3.431 0.335) 3.984 3.384 ( 4.437 0.673 2.699) 5.237 3.590 ( 4.332 2.200 0.626) 4.899 3.914 ( -2.182 -3.825 -1.562) 4.673 3.997 ( -1.335 -0.816 -7.740) 7.897 4.240 ( 0.468 7.989 -4.575) 9.218 4.533 ( -4.404 -2.387 3.209) 5.949 4.841 ( -0.236 -2.913 -3.539) 4.590 5.007 ( -2.440 2.992 0.026) 3.861 5.131 ( -3.924 -6.628 -1.333) 7.817 5.229 ( -6.274 -6.960 2.320) 9.653 5.551 ( 2.021 0.124 -0.166) 2.032 8.976 ( -4.823 1.693 -0.356) 5.124 9.275 ( 2.444 -0.511 0.345) 2.520 9.958 ( -1.006 2.765 1.142) 3.156 10.267 ( 3.372 0.096 -0.481) 3.407 10.609 ( 0.771 -3.367 -0.424) 3.480 10.804 ( 2.342 -3.431 1.157) 4.313 11.292 ( -0.954 6.633 0.130) 6.702 11.671 ( 5.979 5.637 -1.393) 8.334 12.072 ( -1.612 -3.895 5.640) 7.041 12.965 ( -5.701 -5.844 -2.911) 8.668 22.031 ( -1.324 0.925 -0.700) 1.760 22.218 ( 3.010 -2.893 0.629) 4.222 22.469 ( 3.235 7.955 -1.305) 8.686 22.772 ( 0.736 2.427 0.016) 2.537 23.004 ( -2.260 -3.083 3.040) 4.884 23.352 ( -2.566 -0.740 -8.504) 8.913 23.678 ( 2.275 2.621 -2.936) 4.545 24.160 ( -5.376 -8.471 12.490) 16.021 ======================= Grid point 16 (11/116) ======================= q-point: ( 0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.864 ( 0.585 7.407 -0.207) 7.433 2.204 ( 7.963 7.087 3.235) 11.140 2.298 ( 0.619 2.492 0.771) 2.681 2.346 ( 7.889 13.313 2.059) 15.611 2.550 ( -7.358 0.852 -1.620) 7.583 2.592 ( -7.029 -0.813 3.878) 8.069 2.791 ( 5.139 2.209 -2.213) 6.016 2.974 ( -2.983 0.247 -1.109) 3.192 3.153 ( 6.946 -9.266 1.981) 11.749 3.267 ( -1.675 -5.585 1.547) 6.032 3.519 ( 2.214 7.475 -0.957) 7.855 3.662 ( 2.301 0.286 1.232) 2.626 3.874 ( 2.676 -2.261 0.316) 3.517 3.892 ( -2.860 -2.989 -8.107) 9.102 4.286 ( -1.267 6.043 -0.489) 6.194 4.470 ( -1.564 -1.374 0.655) 2.182 4.812 ( 1.706 -2.614 -2.096) 3.760 4.931 ( -2.685 -8.141 1.520) 8.706 5.023 ( -2.687 4.199 -0.420) 5.003 5.166 ( -2.678 1.695 1.068) 3.345 5.579 ( 2.048 -1.710 -0.595) 2.734 8.928 ( -2.999 2.617 0.276) 3.989 9.305 ( 1.893 -1.757 0.575) 2.646 9.967 ( -1.841 3.264 0.400) 3.768 10.301 ( 1.929 -2.016 0.969) 2.954 10.592 ( 1.351 -3.086 -0.832) 3.470 10.815 ( 3.387 -5.442 -0.412) 6.424 11.337 ( -3.453 8.806 0.304) 9.464 11.808 ( 4.554 4.336 -2.065) 6.618 12.005 ( -3.381 -4.531 2.955) 6.379 12.844 ( -1.205 -3.072 -1.228) 3.521 22.021 ( -0.730 1.024 -0.159) 1.268 22.234 ( 2.149 -3.195 0.129) 3.852 22.596 ( 3.566 6.172 -2.143) 7.443 22.772 ( -5.617 3.407 2.973) 7.211 22.953 ( -0.316 -2.610 -0.709) 2.723 23.302 ( 0.855 -0.810 -0.634) 1.337 23.726 ( 1.914 2.289 -3.627) 4.697 24.050 ( -3.105 -6.790 5.580) 9.321 ======================= Grid point 17 (12/116) ======================= q-point: (-0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.866 ( -6.495 3.118 0.050) 7.205 2.169 ( -13.905 -3.644 -0.790) 14.396 2.297 ( -6.703 -0.273 -0.230) 6.712 2.325 ( -11.461 -0.325 -0.367) 11.471 2.526 ( -2.134 0.962 -3.613) 4.305 2.580 ( 3.935 8.227 1.302) 9.212 2.838 ( -0.490 -1.568 3.345) 3.727 3.002 ( 2.880 3.480 2.636) 5.230 3.138 ( 2.978 -10.481 0.059) 10.896 3.255 ( 4.966 -2.077 -0.057) 5.383 3.463 ( -7.531 0.232 -7.139) 10.380 3.669 ( -3.059 -0.395 0.589) 3.140 3.844 ( 3.050 -1.086 -3.128) 4.502 3.992 ( 7.745 -0.083 5.362) 9.420 4.326 ( -2.564 6.248 4.521) 8.127 4.456 ( 0.785 -0.206 -0.692) 1.067 4.829 ( 3.324 -2.195 -0.010) 3.984 4.922 ( 7.571 -1.696 0.509) 7.776 5.017 ( -2.710 4.744 -1.135) 5.580 5.155 ( -0.951 2.218 -0.480) 2.461 5.580 ( 0.728 -2.446 -0.422) 2.587 8.932 ( -0.547 3.802 0.865) 3.937 9.308 ( 0.586 -2.779 1.049) 3.028 9.963 ( -2.393 3.095 -0.241) 3.919 10.312 ( 1.079 -2.592 2.504) 3.762 10.588 ( 2.034 -2.406 -1.255) 3.391 10.799 ( 2.280 -5.904 -2.594) 6.840 11.339 ( -5.813 7.171 0.496) 9.244 11.828 ( -5.574 -1.170 0.569) 5.723 11.960 ( 3.233 -0.476 -3.065) 4.480 12.860 ( 4.660 0.136 1.076) 4.785 22.024 ( -0.237 1.303 0.366) 1.374 22.230 ( 1.416 -3.592 -0.409) 3.882 22.629 ( -6.217 -0.479 2.437) 6.695 22.731 ( -1.356 6.791 -2.704) 7.434 22.942 ( 1.840 -1.475 -1.871) 3.011 23.364 ( 4.003 0.965 7.650) 8.688 23.742 ( -0.828 0.976 -1.966) 2.346 23.982 ( 1.410 -4.287 -3.289) 5.584 ======================= Grid point 18 (13/116) ======================= q-point: (-0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.701 ( -13.690 -1.097 -0.870) 13.761 1.804 ( -21.100 -4.196 -1.585) 21.572 1.967 ( -19.267 -2.437 -1.549) 19.482 2.198 ( -14.138 -4.517 -3.062) 15.155 2.319 ( -10.682 -5.171 -2.365) 12.101 2.701 ( 2.243 4.575 3.609) 6.244 2.884 ( 2.973 2.755 1.356) 4.275 3.075 ( 0.855 -6.853 1.356) 7.038 3.144 ( 5.855 4.155 2.765) 7.694 3.310 ( -3.453 -2.573 -6.963) 8.187 3.347 ( 5.123 -0.613 0.181) 5.163 3.584 ( -4.990 -1.429 -0.749) 5.244 3.912 ( 5.558 0.579 -0.648) 5.625 4.096 ( 2.668 -2.439 4.923) 6.108 4.335 ( -6.954 5.377 7.098) 11.299 4.483 ( 2.494 0.971 -2.262) 3.504 4.878 ( 3.643 -0.892 1.374) 3.994 5.004 ( -1.250 3.742 -0.401) 3.966 5.142 ( 7.115 1.323 0.108) 7.238 5.196 ( 10.997 2.081 -2.210) 11.409 5.550 ( -1.388 -1.968 -0.186) 2.415 8.987 ( 1.244 4.570 1.132) 4.870 9.281 ( -0.772 -3.244 1.293) 3.577 9.945 ( -2.428 2.288 -0.593) 3.388 10.296 ( -1.843 -3.114 3.236) 4.855 10.601 ( 2.458 -1.605 -1.504) 3.299 10.768 ( 1.927 -3.236 -3.670) 5.258 11.298 ( -4.940 3.526 0.861) 6.130 11.683 ( -8.208 -2.271 0.231) 8.519 12.000 ( 2.583 0.087 -4.280) 5.000 12.998 ( 8.423 1.930 1.662) 8.799 22.042 ( 0.135 1.739 0.814) 1.925 22.208 ( 0.816 -4.110 -0.777) 4.261 22.490 ( -9.179 0.410 1.554) 9.319 22.760 ( -0.604 2.504 -1.580) 3.022 22.968 ( 3.190 -0.187 -1.847) 3.690 23.513 ( 4.739 2.476 13.612) 14.624 23.703 ( -3.049 -0.158 0.411) 3.081 23.976 ( 5.211 -2.031 -12.765) 13.936 ======================= Grid point 19 (14/116) ======================= q-point: (-0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.340 ( -22.677 -4.354 -3.076) 23.295 1.379 ( -23.539 -1.990 -1.236) 23.656 1.625 ( -16.832 -1.855 0.527) 16.942 1.721 ( -26.650 -6.811 -5.107) 27.976 2.110 ( -11.182 -2.928 1.036) 11.606 2.801 ( 3.277 2.366 4.009) 5.693 2.968 ( 2.448 3.225 0.385) 4.067 3.057 ( 1.273 -1.843 1.471) 2.680 3.198 ( -1.792 -3.902 -5.233) 6.769 3.293 ( 4.435 3.572 1.476) 5.883 3.398 ( 1.049 -3.524 -1.354) 3.918 3.503 ( -1.330 0.795 0.734) 1.715 4.024 ( 6.019 0.929 0.182) 6.093 4.085 ( -3.263 -2.442 2.093) 4.582 4.279 ( -5.976 1.900 7.165) 9.521 4.532 ( 3.190 1.340 -3.642) 5.024 4.940 ( 2.866 0.077 1.149) 3.089 5.028 ( -0.059 2.980 0.146) 2.984 5.189 ( 2.895 -0.614 -0.766) 3.057 5.483 ( -0.844 -0.994 2.912) 3.191 5.529 ( 15.718 2.246 -3.422) 16.242 9.065 ( 1.817 3.980 0.858) 4.459 9.233 ( -1.619 -2.887 1.001) 3.458 9.921 ( -1.953 1.065 -0.530) 2.286 10.209 ( -5.809 -2.424 1.861) 6.564 10.626 ( 2.414 -0.770 -1.152) 2.783 10.785 ( 3.525 -0.451 -1.711) 3.944 11.257 ( -2.529 0.823 0.787) 2.774 11.516 ( -8.604 -1.448 -0.193) 8.727 12.008 ( 0.928 -0.370 -3.639) 3.774 13.180 ( 9.067 1.690 0.919) 9.269 22.071 ( 0.361 2.224 1.042) 2.483 22.171 ( 0.178 -4.152 -0.809) 4.234 22.353 ( -7.724 0.900 0.498) 7.792 22.749 ( -1.362 0.145 0.027) 1.370 23.024 ( 3.646 0.435 -1.040) 3.816 23.627 ( -1.888 -0.420 2.649) 3.280 23.719 ( 2.772 3.022 18.555) 19.002 23.979 ( 5.985 -1.554 -21.693) 22.557 ======================= Grid point 20 (15/116) ======================= q-point: (-0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( -25.375 0.000 0.000) 25.375 0.925 ( -26.059 0.000 0.000) 26.059 1.160 ( -31.332 0.000 0.000) 31.332 1.349 ( -13.882 0.000 0.000) 13.882 1.893 ( -11.473 0.000 0.000) 11.473 2.893 ( 4.299 -0.000 -0.000) 4.299 3.016 ( 1.145 -0.000 -0.000) 1.145 3.093 ( 1.635 -0.000 -0.000) 1.635 3.124 ( -1.117 0.000 0.000) 1.117 3.280 ( -6.025 0.000 0.000) 6.025 3.436 ( 5.797 -0.000 -0.000) 5.797 3.535 ( 2.053 -0.000 -0.000) 2.053 3.970 ( -7.809 0.000 0.000) 7.809 4.124 ( 4.499 -0.000 -0.000) 4.499 4.255 ( -0.864 0.000 0.000) 0.864 4.580 ( 2.681 -0.000 -0.000) 2.681 4.982 ( 1.645 -0.000 -0.000) 1.645 5.050 ( 0.657 -0.000 -0.000) 0.657 5.239 ( 3.275 -0.000 -0.000) 3.275 5.410 ( -4.664 0.000 0.000) 4.664 5.827 ( 14.589 -0.000 -0.000) 14.589 9.121 ( 1.542 -0.000 -0.000) 1.542 9.187 ( -1.803 0.000 0.000) 1.803 9.898 ( -1.070 0.000 0.000) 1.070 10.090 ( -6.399 0.000 0.000) 6.399 10.656 ( 1.770 -0.000 -0.000) 1.770 10.849 ( 3.841 -0.000 -0.000) 3.841 11.234 ( -0.895 0.000 0.000) 0.895 11.366 ( -7.332 0.000 0.000) 7.332 12.001 ( -0.071 0.000 0.000) 0.071 13.336 ( 7.275 -0.000 -0.000) 7.275 22.100 ( 0.472 -0.000 -0.000) 0.472 22.136 ( -0.557 0.000 0.000) 0.557 22.247 ( -5.102 0.000 0.000) 5.102 22.727 ( -1.057 0.000 0.000) 1.057 23.084 ( 2.994 -0.000 -0.000) 2.994 23.588 ( -2.029 0.000 0.000) 2.029 23.912 ( 2.276 -0.000 -0.000) 2.276 23.934 ( 4.905 -0.000 -0.000) 4.905 ======================= Grid point 23 (16/116) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( -0.000 21.373 8.152) 22.875 1.174 ( 0.000 23.346 11.012) 25.813 1.380 ( -0.000 15.037 -3.947) 15.546 1.592 ( 0.000 22.845 25.445) 34.196 1.931 ( -0.000 16.835 -3.307) 17.157 2.795 ( -0.000 -1.974 -12.388) 12.544 2.943 ( -0.000 -3.092 -8.225) 8.787 3.075 ( 0.000 -0.012 3.605) 3.605 3.087 ( 0.000 -2.802 1.347) 3.109 3.300 ( -0.000 6.929 -1.938) 7.194 3.467 ( 0.000 -4.904 3.609) 6.089 3.471 ( -0.000 -0.420 -5.376) 5.393 3.930 ( -0.000 5.703 -15.227) 16.260 4.041 ( -0.000 9.572 0.478) 9.584 4.123 ( 0.000 -3.118 0.669) 3.189 4.812 ( 0.000 -4.776 10.981) 11.975 4.937 ( -0.000 -1.958 -4.088) 4.533 5.027 ( 0.000 -2.360 0.571) 2.428 5.187 ( -0.000 -3.302 -3.282) 4.656 5.413 ( -0.000 3.375 -2.807) 4.390 5.726 ( 0.000 -14.406 -1.959) 14.539 9.099 ( 0.000 -2.590 0.702) 2.683 9.282 ( -0.000 5.028 1.692) 5.305 9.919 ( 0.000 0.153 2.608) 2.613 10.113 ( -0.000 7.905 -1.861) 8.121 10.606 ( -0.000 -2.465 -2.561) 3.555 10.801 ( -0.000 -1.878 -0.988) 2.122 11.264 ( 0.000 1.362 1.120) 1.763 11.380 ( -0.000 7.494 -1.222) 7.593 12.089 ( 0.000 -7.587 10.168) 12.687 13.275 ( 0.000 -7.661 -2.262) 7.988 22.081 ( 0.000 -0.991 -0.344) 1.049 22.196 ( -0.000 0.909 0.142) 0.920 22.260 ( -0.000 6.489 1.635) 6.692 22.603 ( -0.000 4.218 -9.468) 10.365 23.089 ( 0.000 -3.494 2.369) 4.222 23.504 ( -0.000 2.864 -11.057) 11.421 23.614 ( -0.000 4.320 -3.556) 5.595 24.443 ( 0.000 -17.481 26.147) 31.452 ======================= Grid point 24 (17/116) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( 7.995 16.880 4.482) 19.208 1.510 ( 6.278 21.759 8.406) 24.156 1.594 ( 7.951 17.276 -0.801) 19.034 1.959 ( 5.072 18.879 16.040) 25.287 2.128 ( 3.292 15.053 5.631) 16.406 2.710 ( -0.981 -0.265 -10.749) 10.797 2.874 ( 0.938 -3.890 -9.564) 10.367 3.052 ( -2.418 -0.920 3.436) 4.301 3.136 ( 5.454 -2.512 1.066) 6.099 3.342 ( -2.810 3.244 -3.058) 5.270 3.416 ( -1.643 -3.677 2.752) 4.878 3.454 ( 1.677 1.055 -1.251) 2.343 3.924 ( 1.949 -0.143 -10.659) 10.837 4.067 ( -2.737 -0.777 0.454) 2.881 4.171 ( 2.567 8.983 -1.386) 9.445 4.744 ( -6.518 -3.708 7.101) 10.328 4.882 ( -1.342 -2.315 -4.560) 5.288 5.050 ( 2.670 -0.449 1.598) 3.144 5.137 ( 0.381 -3.286 -2.689) 4.263 5.379 ( -1.868 -7.823 -5.988) 10.027 5.576 ( -2.137 -6.448 1.364) 6.929 9.083 ( 0.483 -2.184 0.254) 2.251 9.298 ( -4.262 4.949 1.862) 6.792 9.947 ( 1.405 0.567 2.320) 2.771 10.186 ( 0.411 6.697 -1.532) 6.882 10.576 ( 0.920 -3.214 -2.260) 4.035 10.777 ( 0.032 -2.952 0.935) 3.097 11.286 ( 0.334 2.942 0.994) 3.123 11.490 ( 3.839 7.478 -1.344) 8.512 12.068 ( 0.979 -6.214 6.980) 9.397 13.152 ( -3.567 -8.018 -2.737) 9.192 22.075 ( 0.268 -0.587 -0.919) 1.123 22.168 ( -2.353 0.994 0.890) 2.705 22.379 ( 2.935 7.138 1.226) 7.815 22.642 ( 4.226 2.855 -6.518) 8.276 23.058 ( -0.600 -4.071 3.094) 5.149 23.461 ( -2.105 1.563 -9.378) 9.738 23.640 ( -0.153 4.271 -2.896) 5.163 24.346 ( -4.083 -14.789 19.508) 24.819 ======================= Grid point 25 (18/116) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.717 ( 7.124 12.671 -0.102) 14.537 1.876 ( 8.310 18.263 5.524) 20.811 1.973 ( 12.504 17.457 3.528) 21.761 2.219 ( 2.877 9.770 0.572) 10.201 2.408 ( 6.951 11.872 14.693) 20.128 2.667 ( -0.915 2.584 -6.225) 6.802 2.847 ( 5.602 -4.662 -5.382) 9.060 2.987 ( -6.274 0.555 1.756) 6.539 3.200 ( -2.276 0.201 -0.818) 2.427 3.267 ( 3.615 -4.904 0.929) 6.163 3.357 ( -2.576 -2.702 1.125) 3.899 3.539 ( 4.088 2.853 -0.284) 4.993 3.870 ( -0.119 -4.771 -7.061) 8.523 4.015 ( -2.897 0.221 -1.714) 3.373 4.291 ( 1.545 8.867 -2.982) 9.482 4.614 ( -6.418 -3.289 2.617) 7.672 4.808 ( -1.488 -2.935 -3.910) 5.111 5.080 ( -2.004 2.646 0.189) 3.325 5.108 ( -1.980 -6.527 -3.277) 7.567 5.189 ( 1.093 -10.147 0.815) 10.238 5.538 ( -0.597 -0.702 0.416) 1.011 9.065 ( -1.711 0.239 0.119) 1.732 9.273 ( -3.073 2.135 1.434) 4.007 9.993 ( 1.259 1.982 1.194) 2.634 10.235 ( 0.368 2.438 -0.153) 2.470 10.548 ( 1.038 -3.785 -1.640) 4.253 10.752 ( 0.272 -3.605 1.291) 3.838 11.356 ( 1.856 6.147 0.758) 6.466 11.630 ( 4.737 6.516 -1.653) 8.223 12.056 ( 0.780 -5.473 4.961) 7.428 12.981 ( -5.222 -7.072 -2.936) 9.268 22.064 ( -1.080 0.769 -1.010) 1.667 22.159 ( 0.716 -1.145 1.055) 1.714 22.500 ( 2.150 7.790 -0.360) 8.090 22.734 ( 5.379 2.711 -2.989) 6.724 23.020 ( -1.008 -3.850 4.010) 5.650 23.375 ( -4.244 0.481 -7.233) 8.400 23.669 ( 0.488 3.804 -3.305) 5.063 24.207 ( -4.888 -12.365 13.538) 18.976 ======================= Grid point 26 (19/116) ======================= q-point: ( 0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.929 ( 3.474 10.541 -0.362) 11.105 2.174 ( 5.412 9.515 0.717) 10.969 2.311 ( 3.197 6.346 2.266) 7.458 2.354 ( 8.969 13.493 2.598) 16.409 2.650 ( 0.484 4.946 -4.094) 6.438 2.685 ( 3.083 6.247 7.527) 10.256 2.802 ( -7.446 -1.816 -1.730) 7.857 2.959 ( 4.803 -4.384 3.535) 7.401 3.063 ( -7.519 -0.952 -0.392) 7.590 3.274 ( -3.788 -5.129 4.040) 7.549 3.434 ( 12.731 2.108 0.787) 12.928 3.613 ( 2.413 0.788 -1.763) 3.091 3.789 ( 0.777 -5.080 -6.114) 7.987 3.921 ( -5.562 -2.468 -4.120) 7.349 4.367 ( -0.459 7.189 -1.698) 7.401 4.499 ( -3.766 -2.510 0.485) 4.552 4.754 ( 0.696 -2.838 -2.223) 3.671 4.898 ( -3.970 -10.159 -0.175) 10.908 5.104 ( -1.388 5.188 -1.525) 5.583 5.210 ( 0.891 0.036 3.239) 3.360 5.521 ( 0.821 -2.634 -0.858) 2.889 9.032 ( -4.039 3.453 0.563) 5.343 9.257 ( 0.487 -1.911 0.903) 2.169 10.036 ( -0.362 4.152 -0.106) 4.169 10.248 ( 0.955 -2.310 1.626) 2.982 10.525 ( 1.400 -3.629 -1.194) 4.069 10.727 ( 0.866 -4.048 0.189) 4.144 11.462 ( 0.622 8.735 0.084) 8.758 11.760 ( 4.555 4.624 -1.840) 6.746 12.017 ( -1.599 -5.438 3.302) 6.560 12.831 ( -2.990 -4.758 -1.987) 5.960 22.051 ( -1.197 1.522 -0.430) 1.984 22.167 ( 1.722 -2.605 0.493) 3.161 22.605 ( 2.063 6.496 -1.492) 6.977 22.835 ( 3.602 2.335 -0.971) 4.401 22.981 ( -3.530 -0.166 3.516) 4.985 23.282 ( -1.814 -1.546 -2.500) 3.454 23.701 ( 1.335 3.115 -4.590) 5.705 24.064 ( -4.352 -10.108 8.237) 13.747 ======================= Grid point 27 (20/116) ======================= q-point: (-0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.014 ( -4.290 6.741 -0.560) 8.010 2.250 ( 1.842 -0.221 0.171) 1.863 2.429 ( -6.220 5.517 2.054) 8.564 2.537 ( -3.924 0.862 -0.806) 4.098 2.589 ( -5.505 1.726 -0.170) 5.772 2.675 ( -5.578 12.948 -0.003) 14.098 2.809 ( 2.909 0.795 -1.040) 3.190 2.953 ( 3.991 -8.486 0.847) 9.416 3.054 ( 1.049 2.967 4.192) 5.241 3.171 ( -1.322 -6.567 4.588) 8.119 3.531 ( -5.008 -1.079 -7.245) 8.873 3.717 ( 1.439 -0.522 3.604) 3.915 3.748 ( 3.859 -2.349 -4.624) 6.465 3.828 ( 8.267 -1.718 -1.791) 8.632 4.425 ( 0.055 5.843 1.252) 5.976 4.446 ( -0.568 -0.816 0.376) 1.063 4.754 ( 2.337 -1.643 -0.674) 2.935 4.810 ( 2.394 -4.520 1.105) 5.233 5.112 ( -2.771 4.877 -2.213) 6.030 5.214 ( -2.856 1.397 2.179) 3.855 5.515 ( 2.541 -3.358 -0.980) 4.324 9.013 ( -3.122 4.945 0.725) 5.893 9.254 ( 1.863 -3.922 0.873) 4.429 10.054 ( -2.929 5.180 -0.813) 6.006 10.254 ( 2.661 -4.342 2.859) 5.840 10.516 ( 2.070 -2.955 -1.002) 3.745 10.702 ( 1.258 -3.918 -1.410) 4.350 11.518 ( -4.491 7.921 -0.299) 9.111 11.861 ( 3.797 2.563 -1.976) 4.989 11.923 ( -3.977 -4.832 1.392) 6.412 12.787 ( 2.586 -1.839 -0.115) 3.175 22.051 ( -0.721 1.928 0.121) 2.062 22.167 ( 1.467 -3.269 -0.097) 3.584 22.679 ( 0.460 3.580 -0.210) 3.616 22.874 ( 2.194 -3.139 -1.548) 4.130 22.910 ( -8.959 6.716 -0.015) 11.197 23.310 ( 5.880 -0.825 4.985) 7.753 23.732 ( 1.631 2.554 -5.821) 6.563 23.936 ( -3.136 -7.788 3.553) 9.117 ======================= Grid point 28 (21/116) ======================= q-point: (-0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.914 ( -10.749 1.159 -0.611) 10.829 2.150 ( -18.921 1.267 1.527) 19.025 2.289 ( -15.099 0.362 -0.352) 15.108 2.316 ( -5.871 -1.093 0.129) 5.974 2.469 ( -12.492 -1.918 -3.656) 13.157 2.741 ( -0.625 3.491 1.485) 3.845 2.862 ( 3.777 5.000 -2.053) 6.594 2.970 ( 3.450 -7.456 4.248) 9.249 3.110 ( 3.006 3.346 2.007) 4.926 3.217 ( 7.168 -1.960 0.317) 7.438 3.355 ( -6.844 -3.097 -4.365) 8.688 3.651 ( -4.117 -0.861 -0.524) 4.239 3.807 ( 5.650 -0.527 -1.247) 5.810 4.018 ( 7.583 -0.205 1.563) 7.745 4.446 ( 1.436 0.165 -0.860) 1.681 4.497 ( -1.649 4.105 4.054) 6.000 4.798 ( 4.520 -0.772 -0.049) 4.586 4.905 ( 11.489 -0.379 0.295) 11.499 5.089 ( -2.871 2.980 -1.626) 4.446 5.173 ( -2.614 -0.229 0.256) 2.636 5.527 ( 1.738 -1.673 -0.344) 2.437 9.031 ( -0.641 4.116 0.499) 4.196 9.248 ( 1.116 -3.364 0.763) 3.626 10.029 ( -4.066 2.912 -0.475) 5.024 10.277 ( 2.095 -2.635 2.457) 4.168 10.529 ( 2.743 -1.779 -0.913) 3.394 10.687 ( 1.842 -2.221 -1.949) 3.482 11.458 ( -8.183 3.523 0.039) 8.909 11.797 ( -6.561 -1.601 0.196) 6.757 11.935 ( 3.446 0.282 -1.608) 3.813 12.872 ( 7.397 0.068 0.622) 7.424 22.065 ( -0.164 2.077 0.473) 2.136 22.153 ( 0.861 -3.118 -0.462) 3.268 22.648 ( -6.791 0.198 1.185) 6.896 22.827 ( -4.801 4.213 -2.121) 6.730 22.894 ( 3.335 -1.709 -0.388) 3.768 23.477 ( 8.172 1.634 7.692) 11.341 23.749 ( -0.339 2.806 -3.924) 4.836 23.838 ( -0.150 -5.970 -2.319) 6.406 ======================= Grid point 29 (22/116) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( -17.416 0.000 0.000) 17.416 1.785 ( -23.159 0.000 0.000) 23.159 1.941 ( -20.269 0.000 0.000) 20.269 2.103 ( -21.716 0.000 0.000) 21.716 2.262 ( -7.324 0.000 0.000) 7.324 2.774 ( 2.050 -0.000 -0.000) 2.050 2.961 ( 1.900 -0.000 -0.000) 1.900 2.986 ( 4.297 -0.000 -0.000) 4.297 3.215 ( 3.351 -0.000 -0.000) 3.351 3.226 ( -2.232 0.000 0.000) 2.232 3.325 ( 5.412 -0.000 -0.000) 5.412 3.565 ( -4.818 0.000 0.000) 4.818 3.915 ( 6.797 -0.000 -0.000) 6.797 4.091 ( 1.500 -0.000 -0.000) 1.500 4.438 ( -7.815 0.000 0.000) 7.815 4.481 ( 2.559 -0.000 -0.000) 2.559 4.879 ( 4.480 -0.000 -0.000) 4.480 5.062 ( -1.587 0.000 0.000) 1.587 5.147 ( 0.600 -0.000 -0.000) 0.600 5.191 ( 19.343 -0.000 -0.000) 19.343 5.526 ( -1.008 0.000 0.000) 1.008 9.062 ( 1.261 -0.000 -0.000) 1.261 9.237 ( -0.464 0.000 0.000) 0.464 9.975 ( -3.454 0.000 0.000) 3.454 10.273 ( -2.070 0.000 0.000) 2.070 10.569 ( 3.030 -0.000 -0.000) 3.030 10.714 ( 3.203 -0.000 -0.000) 3.203 11.342 ( -6.331 0.000 0.000) 6.331 11.659 ( -8.389 0.000 0.000) 8.389 11.977 ( 1.831 -0.000 -0.000) 1.831 13.026 ( 9.441 -0.000 -0.000) 9.441 22.083 ( 0.345 -0.000 -0.000) 0.345 22.140 ( 0.238 -0.000 -0.000) 0.238 22.505 ( -8.974 0.000 0.000) 8.974 22.782 ( -2.321 0.000 0.000) 2.321 22.955 ( 4.119 -0.000 -0.000) 4.119 23.639 ( 4.019 -0.000 -0.000) 4.019 23.748 ( 0.726 -0.000 -0.000) 0.726 23.813 ( 3.135 -0.000 -0.000) 3.135 ======================= Grid point 34 (23/116) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( -0.000 14.492 1.812) 14.605 1.701 ( -0.000 18.401 1.857) 18.494 1.718 ( -0.000 22.187 6.451) 23.106 2.161 ( -0.000 16.952 6.816) 18.271 2.320 ( 0.000 16.044 17.092) 23.442 2.639 ( -0.000 -1.730 -12.159) 12.281 2.803 ( -0.000 -2.818 -8.401) 8.861 3.013 ( 0.000 -5.468 0.070) 5.468 3.114 ( 0.000 0.853 2.698) 2.830 3.392 ( -0.000 0.889 -3.214) 3.335 3.431 ( 0.000 1.046 4.676) 4.792 3.438 ( -0.000 0.827 -1.049) 1.336 3.841 ( -0.000 -2.855 -9.856) 10.261 4.086 ( -0.000 -0.696 -0.736) 1.013 4.236 ( -0.000 9.172 -0.159) 9.174 4.811 ( 0.000 -3.710 2.760) 4.624 4.861 ( 0.000 -2.173 0.184) 2.181 4.977 ( 0.000 -3.440 0.994) 3.581 5.096 ( -0.000 -2.253 -2.965) 3.724 5.257 ( -0.000 -13.589 -6.864) 15.224 5.563 ( 0.000 -0.826 0.563) 0.999 9.050 ( 0.000 -2.762 0.717) 2.853 9.408 ( -0.000 5.540 2.083) 5.919 9.945 ( 0.000 -0.030 2.661) 2.661 10.252 ( -0.000 7.528 -2.455) 7.918 10.526 ( -0.000 -2.634 -2.894) 3.913 10.753 ( 0.000 -3.340 2.106) 3.948 11.305 ( 0.000 1.504 1.244) 1.952 11.530 ( -0.000 8.485 -1.502) 8.617 12.022 ( 0.000 -6.293 5.340) 8.254 13.090 ( 0.000 -7.911 -2.620) 8.334 22.058 ( -0.000 -0.922 -0.469) 1.034 22.216 ( -0.000 0.832 0.260) 0.872 22.430 ( -0.000 8.361 2.263) 8.662 22.601 ( -0.000 2.817 -5.994) 6.623 23.029 ( 0.000 -4.921 2.717) 5.621 23.454 ( -0.000 0.826 -6.993) 7.042 23.681 ( -0.000 5.735 -3.574) 6.758 24.312 ( 0.000 -15.453 16.516) 22.618 ======================= Grid point 35 (24/116) ======================= q-point: ( 0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.718 ( 5.547 10.977 -0.489) 12.308 1.973 ( 8.230 16.993 3.905) 19.281 1.989 ( 3.691 19.706 3.590) 20.367 2.316 ( -1.551 10.308 0.778) 10.453 2.530 ( 0.187 8.454 8.875) 12.258 2.654 ( 4.977 5.435 2.914) 7.925 2.724 ( -0.211 -3.406 -6.472) 7.316 3.024 ( 7.263 -5.327 0.097) 9.007 3.105 ( -2.829 0.132 0.390) 2.859 3.324 ( -5.231 -1.860 -0.323) 5.561 3.417 ( -3.467 2.127 2.809) 4.943 3.511 ( 2.910 3.476 0.915) 4.625 3.767 ( 1.110 -5.845 -8.846) 10.660 4.054 ( -2.126 -0.498 -2.203) 3.102 4.336 ( 1.579 7.665 -1.140) 7.908 4.700 ( -6.549 -4.290 0.503) 7.845 4.799 ( -2.618 -4.032 -2.339) 5.346 5.028 ( 6.356 -3.780 0.892) 7.449 5.053 ( -2.457 -10.759 -3.894) 11.703 5.110 ( 1.220 0.733 0.018) 1.424 5.548 ( -1.177 -0.894 -0.229) 1.495 9.042 ( 1.543 -2.107 0.539) 2.667 9.416 ( -5.865 4.684 1.768) 7.711 9.975 ( 1.955 0.151 1.900) 2.730 10.292 ( -1.852 5.072 -1.733) 5.671 10.493 ( 0.509 -2.580 -2.252) 3.462 10.727 ( -0.292 -3.295 2.145) 3.942 11.355 ( 3.173 2.605 0.934) 4.211 11.630 ( 2.514 7.843 -1.591) 8.388 11.996 ( 1.419 -5.978 3.886) 7.270 12.974 ( -3.256 -6.607 -2.432) 7.757 22.055 ( 0.812 -0.659 -0.557) 1.185 22.193 ( -2.862 0.769 0.527) 3.010 22.547 ( 1.535 8.031 0.606) 8.199 22.646 ( 4.997 2.360 -3.100) 6.337 22.993 ( 0.453 -5.137 2.723) 5.832 23.412 ( -2.276 0.528 -5.348) 5.836 23.711 ( -1.341 5.955 -3.869) 7.228 24.205 ( -2.863 -13.901 12.657) 19.017 ======================= Grid point 36 (25/116) ======================= q-point: ( 0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.924 ( 7.046 7.856 -0.327) 10.558 2.229 ( 0.917 12.114 -2.361) 12.376 2.313 ( 10.659 11.642 2.541) 15.987 2.348 ( 1.075 5.618 2.681) 6.317 2.643 ( 2.842 5.211 -1.818) 6.208 2.692 ( 3.424 -0.655 -4.296) 5.532 2.826 ( 1.105 1.694 13.622) 13.771 3.010 ( -6.714 -0.614 -0.878) 6.798 3.170 ( 10.576 -2.855 2.004) 11.137 3.211 ( -3.015 1.521 -0.745) 3.458 3.373 ( -6.618 1.620 6.132) 9.167 3.592 ( 1.763 2.811 -0.015) 3.318 3.679 ( 1.158 -6.588 -8.399) 10.737 3.963 ( -4.678 -3.838 -4.830) 7.743 4.419 ( 0.963 5.453 -1.558) 5.753 4.552 ( -5.442 -3.356 0.495) 6.413 4.704 ( -0.349 -4.979 -2.886) 5.765 4.879 ( -4.495 -6.437 -0.945) 7.908 5.105 ( 5.032 -0.419 -0.872) 5.124 5.199 ( 2.701 4.042 2.957) 5.690 5.499 ( -1.733 -2.960 -0.863) 3.537 9.065 ( 2.202 -0.393 0.544) 2.302 9.332 ( -7.921 2.084 0.987) 8.250 10.030 ( 3.152 0.888 0.516) 3.315 10.273 ( -3.245 1.192 0.053) 3.458 10.472 ( 0.642 -2.135 -1.161) 2.514 10.698 ( -0.561 -2.596 1.079) 2.866 11.470 ( 5.365 3.966 -0.019) 6.672 11.745 ( 2.780 6.641 -1.393) 7.333 11.977 ( 1.067 -5.948 2.781) 6.652 12.839 ( -4.197 -4.370 -1.798) 6.320 22.064 ( 0.840 0.129 -0.557) 1.016 22.154 ( -1.998 -0.274 0.628) 2.112 22.633 ( 1.325 5.884 -1.628) 6.248 22.763 ( 4.966 1.242 -0.377) 5.133 22.991 ( 3.108 -1.912 3.096) 4.785 23.331 ( -5.129 -0.027 -3.150) 6.019 23.718 ( -1.603 4.472 -4.077) 6.260 24.070 ( -3.727 -10.646 8.282) 13.994 ======================= Grid point 37 (26/116) ======================= q-point: ( 0.60 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.102 ( 4.523 6.261 0.145) 7.725 2.211 ( -2.317 -1.401 -1.748) 3.223 2.529 ( 4.843 8.964 1.080) 10.246 2.543 ( 3.535 4.610 0.209) 5.813 2.723 ( -2.452 1.309 -0.314) 2.797 2.745 ( 6.739 -2.060 -0.020) 7.047 2.798 ( -4.716 0.799 1.824) 5.119 2.898 ( -3.650 -2.049 -0.827) 4.266 3.139 ( -5.009 5.091 3.736) 8.060 3.257 ( -9.835 -2.099 5.829) 11.623 3.475 ( 17.243 0.918 1.561) 17.338 3.593 ( -2.582 -1.002 -2.198) 3.536 3.629 ( 3.300 -3.307 -5.490) 7.209 3.802 ( -4.021 -4.054 -3.475) 6.684 4.462 ( -2.376 -0.410 0.400) 2.444 4.468 ( 0.208 2.333 -0.452) 2.385 4.686 ( 3.167 -2.132 -0.710) 3.883 4.775 ( -2.077 -2.275 0.241) 3.090 5.166 ( 0.848 1.889 -1.191) 2.388 5.275 ( -0.245 2.866 2.552) 3.845 5.441 ( 0.504 -3.565 -1.226) 3.804 9.110 ( 0.671 3.165 0.573) 3.286 9.216 ( -4.659 -2.470 0.299) 5.282 10.105 ( 3.384 2.819 -1.069) 4.532 10.214 ( -3.133 -2.243 1.801) 4.253 10.462 ( 0.955 -1.471 -0.505) 1.825 10.668 ( -0.572 -1.571 -0.032) 1.672 11.592 ( 3.443 3.710 -0.715) 5.112 11.834 ( 1.258 4.478 -0.678) 4.701 11.930 ( -1.045 -5.256 1.388) 5.536 12.751 ( -1.081 -1.799 -0.612) 2.186 22.080 ( 0.184 1.623 -0.278) 1.657 22.125 ( -0.410 -1.964 0.322) 2.032 22.706 ( 1.341 5.031 -0.785) 5.266 22.796 ( 1.725 -3.933 -0.340) 4.308 23.096 ( 0.587 6.854 1.315) 7.004 23.219 ( -1.368 -4.374 0.350) 4.596 23.714 ( -0.277 1.884 -3.487) 3.973 23.951 ( -3.795 -5.488 3.779) 7.668 ======================= Grid point 38 (27/116) ======================= q-point: (-0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.080 ( -7.587 0.000 0.000) 7.587 2.259 ( 5.375 -0.000 -0.000) 5.375 2.486 ( -16.054 0.000 0.000) 16.054 2.531 ( -7.451 0.000 0.000) 7.451 2.627 ( -4.707 0.000 0.000) 4.707 2.778 ( -0.061 0.000 0.000) 0.061 2.856 ( 2.404 -0.000 -0.000) 2.404 2.875 ( 1.627 -0.000 -0.000) 1.627 3.113 ( -0.375 0.000 0.000) 0.375 3.126 ( -1.863 0.000 0.000) 1.863 3.451 ( -7.297 0.000 0.000) 7.297 3.668 ( 3.060 -0.000 -0.000) 3.060 3.739 ( -0.645 0.000 0.000) 0.645 3.813 ( 16.352 -0.000 -0.000) 16.352 4.433 ( -0.282 0.000 0.000) 0.282 4.505 ( 2.225 -0.000 -0.000) 2.225 4.735 ( 2.644 -0.000 -0.000) 2.644 4.772 ( 3.795 -0.000 -0.000) 3.795 5.151 ( -2.782 0.000 0.000) 2.782 5.247 ( -4.521 0.000 0.000) 4.521 5.465 ( 3.710 -0.000 -0.000) 3.710 9.095 ( -4.131 0.000 0.000) 4.131 9.192 ( 2.990 -0.000 -0.000) 2.990 10.124 ( -4.783 0.000 0.000) 4.783 10.204 ( 4.738 -0.000 -0.000) 4.738 10.477 ( 1.863 -0.000 -0.000) 1.863 10.654 ( 0.225 -0.000 -0.000) 0.225 11.605 ( -4.908 0.000 0.000) 4.908 11.870 ( -2.965 0.000 0.000) 2.965 11.878 ( 2.396 -0.000 -0.000) 2.396 12.768 ( 4.066 -0.000 -0.000) 4.066 22.089 ( -0.884 0.000 0.000) 0.884 22.115 ( 1.224 -0.000 -0.000) 1.224 22.730 ( -2.432 0.000 0.000) 2.432 22.814 ( 3.868 -0.000 -0.000) 3.868 22.990 ( -10.428 0.000 0.000) 10.428 23.335 ( 10.195 -0.000 -0.000) 10.195 23.723 ( 1.509 -0.000 -0.000) 1.509 23.864 ( -4.160 0.000 0.000) 4.160 ======================= Grid point 45 (28/116) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.761 ( -0.000 8.158 -0.532) 8.176 2.082 ( -0.000 14.784 4.086) 15.338 2.159 ( -0.000 17.309 1.871) 17.410 2.454 ( -0.000 8.552 2.300) 8.856 2.515 ( -0.000 -0.560 -8.115) 8.134 2.666 ( -0.000 -4.199 -2.277) 4.776 2.791 ( 0.000 11.783 15.824) 19.729 2.866 ( 0.000 -8.270 -1.175) 8.353 3.146 ( -0.000 0.863 -0.753) 1.145 3.357 ( 0.000 -1.595 0.488) 1.668 3.511 ( -0.000 2.882 0.466) 2.919 3.519 ( 0.000 5.820 4.493) 7.353 3.654 ( -0.000 -6.096 -7.590) 9.735 4.043 ( -0.000 -2.493 -4.671) 5.294 4.385 ( -0.000 5.646 -0.628) 5.681 4.729 ( 0.000 -8.746 2.724) 9.161 4.741 ( -0.000 -5.149 -7.257) 8.898 4.916 ( 0.000 -2.885 0.423) 2.916 5.051 ( -0.000 -0.591 -1.040) 1.196 5.053 ( 0.000 -1.080 1.783) 2.085 5.549 ( -0.000 -1.134 -0.930) 1.467 9.008 ( 0.000 -1.818 0.442) 1.871 9.527 ( -0.000 3.987 1.619) 4.303 9.965 ( 0.000 -0.086 1.740) 1.742 10.352 ( -0.000 4.422 -2.218) 4.947 10.457 ( -0.000 -1.726 -2.011) 2.650 10.710 ( 0.000 -2.781 2.177) 3.532 11.341 ( 0.000 0.992 0.822) 1.288 11.682 ( -0.000 7.864 -1.449) 7.996 11.938 ( 0.000 -6.012 2.877) 6.665 12.935 ( 0.000 -4.902 -1.750) 5.205 22.038 ( -0.000 -0.553 -0.329) 0.643 22.232 ( -0.000 0.494 0.196) 0.531 22.601 ( -0.000 2.215 -3.424) 4.078 22.625 ( -0.000 7.861 2.374) 8.211 22.940 ( 0.000 -6.101 1.527) 6.290 23.413 ( -0.000 0.189 -3.554) 3.559 23.776 ( -0.000 7.356 -4.464) 8.604 24.147 ( 0.000 -13.101 10.373) 16.710 ======================= Grid point 46 (29/116) ======================= q-point: ( 0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.871 ( 5.203 4.280 -0.238) 6.741 2.273 ( 5.371 7.430 1.936) 9.370 2.332 ( 1.325 12.456 -1.750) 12.648 2.412 ( -3.257 1.230 1.829) 3.933 2.596 ( 3.725 -1.355 -1.918) 4.403 2.623 ( 2.310 1.315 -2.394) 3.578 2.844 ( 5.481 -5.918 2.189) 8.358 2.989 ( 3.328 5.489 10.141) 12.002 3.106 ( -3.400 -0.102 -2.758) 4.379 3.309 ( -3.821 0.557 0.927) 3.971 3.519 ( -2.534 1.458 1.587) 3.327 3.552 ( 1.396 -5.047 -5.983) 7.951 3.635 ( -0.667 7.282 5.109) 8.920 3.950 ( -2.875 -6.181 -6.756) 9.598 4.435 ( 1.016 2.874 -0.731) 3.135 4.613 ( -2.353 -6.267 3.969) 7.782 4.646 ( -3.444 -1.685 -6.375) 7.439 4.935 ( -5.884 -0.918 0.269) 5.961 4.977 ( 6.568 -1.426 -0.195) 6.724 5.172 ( 5.977 2.173 1.675) 6.576 5.510 ( -2.349 -1.629 -0.889) 2.993 9.015 ( 2.131 -0.866 0.256) 2.315 9.500 ( -6.899 2.026 0.781) 7.233 9.989 ( 2.004 -0.005 0.776) 2.149 10.345 ( -3.141 1.490 -0.993) 3.615 10.445 ( 0.577 -0.634 -0.832) 1.194 10.692 ( -0.422 -1.495 1.060) 1.881 11.396 ( 4.726 0.875 0.234) 4.812 11.768 ( 1.959 6.997 -1.353) 7.391 11.902 ( 1.366 -6.051 2.042) 6.530 12.863 ( -3.026 -2.497 -0.955) 4.038 22.042 ( 0.958 -0.263 -0.198) 1.013 22.207 ( -2.886 0.278 0.180) 2.905 22.632 ( 2.563 1.541 -1.869) 3.527 22.732 ( 1.960 5.568 1.399) 6.067 22.905 ( 2.979 -4.897 0.896) 5.802 23.385 ( -2.089 0.129 -1.761) 2.735 23.799 ( -2.995 5.544 -3.580) 7.247 24.055 ( -1.848 -8.688 6.270) 10.873 ======================= Grid point 47 (30/116) ======================= q-point: (-0.40 -0.60 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.006 ( 7.531 -0.000 -0.000) 7.531 2.281 ( -4.675 0.000 0.000) 4.675 2.465 ( 6.575 -0.000 -0.000) 6.575 2.493 ( 6.352 -0.000 -0.000) 6.352 2.626 ( 4.094 -0.000 -0.000) 4.094 2.699 ( 3.182 -0.000 -0.000) 3.182 2.898 ( 1.359 -0.000 -0.000) 1.359 2.962 ( -8.299 0.000 0.000) 8.299 3.193 ( 12.555 -0.000 -0.000) 12.555 3.261 ( -3.457 0.000 0.000) 3.457 3.435 ( -7.109 0.000 0.000) 7.109 3.545 ( 1.777 -0.000 -0.000) 1.777 3.668 ( -3.991 0.000 0.000) 3.991 3.814 ( -3.208 0.000 0.000) 3.208 4.466 ( 1.011 -0.000 -0.000) 1.011 4.526 ( -5.039 0.000 0.000) 5.039 4.617 ( 2.531 -0.000 -0.000) 2.531 4.828 ( -5.042 0.000 0.000) 5.042 5.096 ( 6.667 -0.000 -0.000) 6.667 5.279 ( 3.519 -0.000 -0.000) 3.519 5.442 ( -3.194 0.000 0.000) 3.194 9.063 ( 3.655 -0.000 -0.000) 3.655 9.359 ( -9.717 0.000 0.000) 9.717 10.041 ( 3.763 -0.000 -0.000) 3.763 10.283 ( -4.180 0.000 0.000) 4.180 10.446 ( 0.225 -0.000 -0.000) 0.225 10.676 ( -0.882 0.000 0.000) 0.882 11.506 ( 6.694 -0.000 -0.000) 6.694 11.861 ( 2.626 -0.000 -0.000) 2.626 11.878 ( 0.416 -0.000 -0.000) 0.416 12.785 ( -3.766 0.000 0.000) 3.766 22.063 ( 1.556 -0.000 -0.000) 1.556 22.155 ( -2.928 0.000 0.000) 2.928 22.691 ( 3.312 -0.000 -0.000) 3.312 22.766 ( -0.396 0.000 0.000) 0.396 22.995 ( 8.511 -0.000 -0.000) 8.511 23.315 ( -5.915 0.000 0.000) 5.915 23.753 ( -3.563 0.000 0.000) 3.563 23.987 ( -2.671 0.000 0.000) 2.671 ======================= Grid point 58 (31/116) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.844 ( -0.000 0.000 0.000) 0.000 2.275 ( -0.000 0.000 0.000) 0.000 2.391 ( -0.000 0.000 -0.000) 0.000 2.486 ( 0.000 0.000 0.000) 0.000 2.520 ( 0.000 -0.000 0.000) 0.000 2.594 ( -0.000 0.000 0.000) 0.000 2.734 ( -0.000 0.000 0.000) 0.000 3.069 ( 0.000 0.000 0.000) 0.000 3.106 ( -0.000 0.000 0.000) 0.000 3.343 ( -0.000 0.000 -0.000) 0.000 3.495 ( -0.000 0.000 0.000) 0.000 3.543 ( -0.000 0.000 0.000) 0.000 3.722 ( 0.000 0.000 0.000) 0.000 3.910 ( 0.000 0.000 0.000) 0.000 4.440 ( -0.000 0.000 0.000) 0.000 4.579 ( 0.000 0.000 0.000) 0.000 4.697 ( 0.000 0.000 0.000) 0.000 4.886 ( -0.000 0.000 -0.000) 0.000 5.042 ( 0.000 0.000 0.000) 0.000 5.079 ( -0.000 0.000 0.000) 0.000 5.523 ( -0.000 0.000 0.000) 0.000 8.991 ( -0.000 0.000 0.000) 0.000 9.578 ( 0.000 0.000 0.000) 0.000 9.973 ( -0.000 0.000 0.000) 0.000 10.386 ( -0.000 0.000 0.000) 0.000 10.429 ( -0.000 0.000 0.000) 0.000 10.691 ( 0.000 0.000 0.000) 0.000 11.356 ( -0.000 0.000 0.000) 0.000 11.792 ( -0.000 0.000 0.000) 0.000 11.853 ( 0.000 0.000 0.000) 0.000 12.876 ( 0.000 0.000 0.000) 0.000 22.031 ( -0.000 0.000 0.000) 0.000 22.238 ( -0.000 0.000 0.000) 0.000 22.604 ( -0.000 0.000 0.000) 0.000 22.772 ( 0.000 -0.000 -0.000) 0.000 22.834 ( -0.000 0.000 0.000) 0.000 23.398 ( 0.000 0.000 0.000) 0.000 23.855 ( -0.000 0.000 -0.000) 0.000 24.035 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 116 (32/116) ======================= q-point: ( 0.10 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.361 ( 0.000 -0.000 25.502) 25.502 0.361 ( 0.000 -0.000 25.502) 25.502 0.752 ( 0.000 -0.000 52.560) 52.560 1.029 ( -0.000 0.000 -6.246) 6.246 1.029 ( -0.000 0.000 -6.246) 6.246 2.886 ( -0.000 0.000 -13.990) 13.990 2.886 ( -0.000 0.000 -13.990) 13.990 3.071 ( 0.000 -0.000 5.178) 5.178 3.111 ( -0.000 0.000 -0.774) 0.774 3.187 ( 0.000 -0.000 5.441) 5.441 3.187 ( 0.000 -0.000 5.441) 5.441 3.593 ( 0.000 -0.000 2.415) 2.415 3.593 ( 0.000 -0.000 2.415) 2.415 3.780 ( 0.000 -0.000 0.605) 0.605 4.205 ( -0.000 0.000 -0.058) 0.058 4.993 ( -0.000 0.000 -2.182) 2.182 5.071 ( -0.000 0.000 -0.267) 0.267 5.071 ( -0.000 0.000 -0.267) 0.267 5.290 ( -0.000 0.000 -2.017) 2.017 5.290 ( -0.000 0.000 -2.017) 2.017 6.074 ( -0.000 0.000 -5.253) 5.253 9.146 ( -0.000 0.000 -0.409) 0.409 9.146 ( -0.000 0.000 -0.409) 0.409 9.902 ( 0.000 -0.000 2.518) 2.518 9.902 ( 0.000 -0.000 2.518) 2.518 10.682 ( -0.000 0.000 -0.694) 0.694 10.682 ( -0.000 0.000 -0.694) 0.694 11.223 ( 0.000 0.000 -0.066) 0.066 11.223 ( -0.000 0.000 -0.066) 0.066 12.682 ( 0.000 -0.000 3.366) 3.366 13.459 ( -0.000 0.000 -1.629) 1.629 22.095 ( -0.000 0.000 -1.645) 1.645 22.095 ( -0.000 0.000 -1.645) 1.645 22.186 ( 0.000 -0.000 1.607) 1.607 22.186 ( 0.000 -0.000 1.607) 1.607 23.146 ( 0.000 -0.000 0.852) 0.852 23.307 ( 0.000 -0.000 2.020) 2.020 23.547 ( -0.000 0.000 -0.763) 0.763 25.396 ( -0.000 0.000 -0.114) 0.114 ======================= Grid point 117 (33/116) ======================= q-point: ( 0.20 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.725 ( 16.625 9.598 16.534) 25.335 0.728 ( 17.953 10.365 16.370) 26.414 1.098 ( 8.879 5.127 -7.259) 12.563 1.163 ( 13.567 7.833 40.550) 43.471 1.553 ( 19.273 11.127 -14.795) 26.723 2.772 ( -2.342 -1.352 -13.391) 13.661 2.999 ( 2.121 1.224 -15.103) 15.300 3.084 ( -1.175 -0.678 5.379) 5.548 3.154 ( 3.401 1.963 -1.205) 4.107 3.265 ( 2.492 1.439 3.361) 4.425 3.361 ( 8.077 4.663 -16.584) 19.026 3.545 ( -3.532 -2.039 3.576) 5.424 3.736 ( 11.160 6.443 -6.669) 14.510 3.856 ( 5.143 2.969 0.018) 5.939 4.179 ( -2.226 -1.285 -0.305) 2.589 4.910 ( -9.518 -5.495 8.188) 13.705 4.971 ( -1.459 -0.843 -2.865) 3.324 5.053 ( -1.185 -0.684 -0.429) 1.434 5.273 ( -1.005 -0.580 -1.836) 2.172 5.312 ( 3.162 1.825 -2.856) 4.635 5.986 ( -5.885 -3.398 -4.462) 8.130 9.114 ( -2.050 -1.184 -0.855) 2.517 9.173 ( 1.414 0.816 0.457) 1.695 9.916 ( 0.063 0.036 2.932) 2.933 9.979 ( 4.558 2.632 0.433) 5.281 10.685 ( -0.154 -0.089 -0.253) 0.309 10.766 ( 4.498 2.597 -6.428) 8.264 11.216 ( -0.046 -0.027 -0.441) 0.444 11.281 ( 4.370 2.523 0.100) 5.047 12.369 ( -14.631 -8.447 19.803) 26.030 13.400 ( -4.157 -2.400 -2.403) 5.368 22.067 ( -0.935 -0.540 -1.663) 1.982 22.135 ( 2.276 1.314 -0.002) 2.628 22.215 ( 0.998 0.576 1.674) 2.033 22.468 ( 13.459 7.771 -14.629) 21.343 23.143 ( -1.029 -0.594 1.957) 2.289 23.381 ( 3.897 2.250 -7.190) 8.482 23.555 ( 1.098 0.634 -1.139) 1.704 24.898 ( -24.897 -14.374 28.344) 40.372 ======================= Grid point 118 (34/116) ======================= q-point: ( 0.30 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( 16.211 9.360 8.200) 20.437 1.231 ( 18.790 10.848 13.379) 25.490 1.353 ( 15.053 8.691 -3.175) 17.670 1.677 ( 17.178 9.918 20.557) 28.566 1.907 ( 15.325 8.848 2.221) 17.834 2.667 ( -1.561 -0.901 -11.469) 11.610 2.958 ( 0.862 0.498 -10.098) 10.147 3.055 ( -3.304 -1.908 2.894) 4.789 3.207 ( 0.500 0.289 -2.254) 2.327 3.335 ( 2.848 1.645 0.052) 3.289 3.389 ( 1.404 0.811 -8.132) 8.292 3.506 ( -1.011 -0.584 6.244) 6.352 3.900 ( 6.109 3.527 -10.681) 12.800 3.986 ( 6.019 3.475 -1.305) 7.072 4.101 ( -4.167 -2.406 -0.605) 4.850 4.744 ( -7.935 -4.581 7.249) 11.683 4.917 ( -1.716 -0.991 -4.496) 4.913 5.016 ( -1.729 -0.998 -0.268) 2.014 5.231 ( -1.810 -1.045 -1.420) 2.526 5.391 ( 4.278 2.470 -2.984) 5.771 5.767 ( -11.260 -6.501 -1.640) 13.105 9.049 ( -3.100 -1.790 -0.813) 3.671 9.216 ( 2.047 1.182 0.456) 2.408 9.931 ( -0.004 -0.003 2.782) 2.782 10.107 ( 5.931 3.424 0.666) 6.881 10.673 ( -0.756 -0.437 -0.340) 0.937 10.807 ( 1.532 0.884 -3.055) 3.530 11.217 ( 0.259 0.149 -0.324) 0.441 11.409 ( 6.409 3.700 -0.320) 7.408 12.226 ( -5.924 -3.420 12.871) 14.576 13.251 ( -7.237 -4.179 -3.378) 9.014 22.039 ( -0.793 -0.458 -1.274) 1.570 22.212 ( 4.380 2.529 -0.160) 5.060 22.244 ( 0.846 0.489 1.282) 1.612 22.633 ( 6.687 3.861 -8.082) 11.178 23.118 ( -2.260 -1.305 3.837) 4.640 23.383 ( 0.059 0.034 -9.623) 9.623 23.583 ( 1.896 1.094 -1.901) 2.899 24.581 ( -14.666 -8.468 21.677) 27.508 ======================= Grid point 119 (35/116) ======================= q-point: ( 0.40 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( 12.025 6.942 0.355) 13.890 1.703 ( 16.526 9.541 11.865) 22.470 1.741 ( 17.078 9.860 3.180) 19.974 2.086 ( 12.388 7.152 1.454) 14.379 2.288 ( 13.933 8.044 13.627) 21.084 2.595 ( -0.683 -0.394 -8.176) 8.214 2.927 ( -6.271 -3.620 2.810) 7.767 3.027 ( 6.881 3.973 -6.740) 10.419 3.136 ( -4.936 -2.850 -2.900) 6.395 3.377 ( -0.277 -0.160 -2.373) 2.394 3.384 ( 1.345 0.776 -0.834) 1.762 3.567 ( 3.182 1.837 4.617) 5.900 3.928 ( 0.553 0.319 -9.007) 9.030 3.994 ( -4.063 -2.346 -2.244) 5.200 4.110 ( 5.069 2.927 -1.535) 6.051 4.608 ( -6.067 -3.503 3.760) 7.951 4.860 ( -1.121 -0.647 -4.644) 4.821 4.979 ( -1.299 -0.750 -0.044) 1.501 5.182 ( -1.884 -1.088 -0.943) 2.371 5.396 ( -8.098 -4.676 -2.059) 9.575 5.546 ( -1.913 -1.104 0.785) 2.344 8.972 ( -3.110 -1.796 -0.322) 3.605 9.269 ( 2.214 1.278 0.430) 2.593 9.940 ( -0.185 -0.107 2.171) 2.181 10.239 ( 4.614 2.664 1.095) 5.439 10.649 ( -0.977 -0.564 -0.975) 1.491 10.829 ( 1.517 0.876 -0.873) 1.957 11.225 ( 0.417 0.241 0.281) 0.557 11.564 ( 7.080 4.088 -1.144) 8.255 12.170 ( -3.886 -2.244 7.995) 9.169 13.054 ( -7.747 -4.473 -3.818) 9.726 22.019 ( -0.499 -0.288 -0.782) 0.971 22.265 ( 0.530 0.306 0.735) 0.957 22.331 ( 5.906 3.410 -0.636) 6.849 22.726 ( 3.657 2.111 -2.937) 5.143 23.072 ( -3.510 -2.027 4.037) 5.720 23.322 ( -1.015 -0.586 -7.499) 7.590 23.623 ( 2.510 1.449 -2.950) 4.136 24.375 ( -10.891 -6.288 14.273) 19.023 ======================= Grid point 120 (36/116) ======================= q-point: ( 0.50 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( 7.055 4.073 -0.311) 8.152 2.089 ( 12.098 6.985 8.514) 16.360 2.124 ( 14.254 8.229 2.540) 16.654 2.263 ( 3.809 2.199 -0.172) 4.401 2.543 ( -2.169 -1.252 -3.984) 4.706 2.623 ( 6.406 3.698 10.208) 12.607 2.755 ( -4.743 -2.738 -2.900) 6.197 2.994 ( -4.999 -2.886 -2.407) 6.255 3.243 ( 8.861 5.116 1.815) 10.391 3.352 ( -1.190 -0.687 1.478) 2.019 3.390 ( -0.050 -0.029 -2.578) 2.579 3.651 ( 2.238 1.292 1.329) 2.906 3.876 ( -0.693 -0.400 -9.243) 9.278 3.900 ( -2.027 -1.170 -2.277) 3.265 4.204 ( 3.257 1.880 0.769) 3.838 4.506 ( -3.431 -1.981 0.743) 4.031 4.829 ( 0.226 0.131 -3.449) 3.459 4.959 ( -0.371 -0.214 -0.443) 0.617 5.133 ( -11.098 -6.407 2.785) 13.114 5.139 ( -1.397 -0.806 -0.722) 1.767 5.579 ( 1.953 1.128 -0.974) 2.457 8.912 ( -1.866 -1.077 0.471) 2.205 9.317 ( 1.580 0.912 0.986) 2.074 9.942 ( -0.411 -0.237 1.303) 1.387 10.318 ( 1.719 0.992 2.137) 2.916 10.622 ( -0.665 -0.384 -1.871) 2.022 10.866 ( 1.780 1.028 -1.708) 2.673 11.237 ( 0.340 0.196 1.114) 1.181 11.715 ( 6.362 3.673 -1.979) 7.608 12.098 ( -5.056 -2.919 4.066) 7.115 12.892 ( -4.270 -2.466 -2.411) 5.489 22.010 ( -0.127 -0.074 -0.260) 0.299 22.275 ( 0.136 0.079 0.128) 0.203 22.471 ( 6.409 3.700 -1.397) 7.532 22.765 ( -0.561 -0.324 1.623) 1.747 22.992 ( -3.487 -2.013 -0.610) 4.073 23.300 ( 1.066 0.616 -0.383) 1.290 23.668 ( 2.734 1.579 -4.230) 5.278 24.202 ( -8.552 -4.938 7.965) 12.687 ======================= Grid point 121 (37/116) ======================= q-point: (-0.40 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.831 ( 0.245 0.142 0.152) 0.321 2.257 ( -5.417 -3.127 0.832) 6.310 2.305 ( 1.153 0.666 4.793) 4.974 2.343 ( -3.849 -2.222 -1.118) 4.583 2.464 ( 3.656 2.111 0.127) 4.224 2.524 ( -3.826 -2.209 0.110) 4.419 2.864 ( 3.102 1.791 2.182) 4.194 2.951 ( 2.426 1.401 0.137) 2.804 3.272 ( -2.273 -1.312 4.507) 5.215 3.358 ( -1.100 -0.635 -5.115) 5.271 3.362 ( -2.684 -1.550 -3.634) 4.776 3.669 ( -0.801 -0.462 -0.961) 1.333 3.827 ( 1.311 0.757 -5.536) 5.739 3.980 ( 7.511 4.337 2.414) 9.003 4.269 ( 1.270 0.733 4.036) 4.295 4.462 ( -0.514 -0.297 0.272) 0.653 4.844 ( 2.448 1.413 -2.096) 3.519 4.949 ( -0.284 -0.164 -1.374) 1.413 4.976 ( -2.870 -1.657 3.235) 4.631 5.117 ( -0.053 -0.031 -0.924) 0.926 5.602 ( 0.315 0.182 -1.057) 1.118 8.897 ( 0.242 0.140 1.305) 1.335 9.345 ( 0.097 0.056 1.973) 1.976 9.934 ( -0.587 -0.339 0.451) 0.814 10.352 ( 0.282 0.163 3.519) 3.534 10.604 ( 0.074 0.043 -2.628) 2.630 10.869 ( -0.745 -0.430 -4.215) 4.302 11.249 ( 0.051 0.029 1.815) 1.816 11.819 ( 2.314 1.336 -1.793) 3.218 11.984 ( -4.321 -2.495 -0.424) 5.008 12.854 ( 1.520 0.877 0.211) 1.768 22.011 ( 0.274 0.158 0.244) 0.399 22.273 ( -0.280 -0.161 -0.459) 0.561 22.604 ( 5.558 3.209 -2.065) 6.742 22.691 ( -6.547 -3.780 3.349) 8.268 22.944 ( 0.134 0.077 -3.138) 3.142 23.371 ( 3.615 2.087 6.999) 8.150 23.703 ( 1.930 1.114 -4.898) 5.381 24.058 ( -5.716 -3.300 1.633) 6.800 ======================= Grid point 122 (38/116) ======================= q-point: (-0.30 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.751 ( -7.394 -4.269 0.266) 8.542 1.957 ( -17.677 -10.206 2.368) 20.548 2.064 ( -14.728 -8.503 -1.659) 17.088 2.277 ( -6.301 -3.638 0.340) 7.284 2.417 ( -8.468 -4.889 -2.163) 10.014 2.622 ( 6.180 3.568 1.667) 7.328 2.876 ( -0.111 -0.064 2.482) 2.486 3.073 ( 6.599 3.810 1.409) 7.749 3.193 ( -5.614 -3.241 -1.749) 6.715 3.295 ( -1.814 -1.047 -6.589) 6.914 3.339 ( 3.256 1.880 1.470) 4.037 3.610 ( -3.516 -2.030 -1.665) 4.388 3.880 ( 4.243 2.449 -1.710) 5.189 4.149 ( 4.609 2.661 2.612) 5.928 4.282 ( -2.464 -1.423 4.878) 5.647 4.479 ( 0.932 0.538 3.358) 3.526 4.900 ( 1.878 1.084 0.197) 2.178 4.940 ( 0.524 0.302 -1.488) 1.606 5.074 ( 11.075 6.394 -0.922) 12.822 5.130 ( 1.569 0.906 -1.369) 2.271 5.583 ( -1.546 -0.892 -0.548) 1.867 8.934 ( 2.206 1.273 1.856) 3.151 9.338 ( -1.638 -0.945 2.890) 3.453 9.920 ( -0.644 -0.372 -0.071) 0.747 10.361 ( -1.607 -0.928 4.480) 4.849 10.602 ( 0.895 0.517 -2.977) 3.151 10.802 ( -2.068 -1.194 -6.065) 6.518 11.255 ( -0.320 -0.184 2.125) 2.157 11.745 ( -6.731 -3.886 -0.330) 7.779 11.964 ( 2.086 1.204 -4.005) 4.674 12.950 ( 6.032 3.482 1.265) 7.078 22.024 ( 0.657 0.379 0.682) 1.021 22.258 ( -0.666 -0.385 -0.947) 1.220 22.532 ( -7.751 -4.475 2.454) 9.281 22.698 ( 3.262 1.883 -2.229) 4.377 22.953 ( 1.613 0.931 -2.073) 2.787 23.524 ( 5.368 3.099 12.687) 14.120 23.703 ( -0.348 -0.201 -3.060) 3.087 23.960 ( -1.745 -1.008 -6.488) 6.794 ======================= Grid point 123 (39/116) ======================= q-point: (-0.20 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.480 ( -16.032 -9.256 -0.282) 18.514 1.518 ( -20.934 -12.086 3.115) 24.372 1.718 ( -13.924 -8.039 -0.480) 16.085 1.915 ( -21.945 -12.670 -1.817) 25.405 2.212 ( -9.757 -5.633 1.589) 11.378 2.760 ( 5.004 2.889 3.016) 6.518 2.919 ( 2.859 1.651 -0.012) 3.302 3.093 ( -2.413 -1.393 -0.652) 2.862 3.192 ( 1.104 0.637 -10.573) 10.649 3.255 ( 2.701 1.560 4.833) 5.752 3.434 ( 3.794 2.190 1.195) 4.540 3.501 ( -4.870 -2.812 -1.978) 5.961 3.990 ( 5.116 2.954 0.446) 5.924 4.193 ( -6.609 -3.816 3.093) 8.235 4.216 ( 1.671 0.965 -3.334) 3.852 4.532 ( 1.484 0.857 7.303) 7.501 4.940 ( 1.657 0.956 -0.054) 1.914 4.969 ( 2.174 1.255 -0.396) 2.541 5.171 ( 2.520 1.455 -1.756) 3.399 5.398 ( 15.824 9.136 -2.509) 18.444 5.527 ( -3.199 -1.847 0.714) 3.763 9.007 ( 3.097 1.788 1.870) 4.035 9.300 ( -2.826 -1.632 3.317) 4.653 9.905 ( -0.570 -0.329 -0.020) 0.658 10.290 ( -6.035 -3.484 2.504) 7.405 10.616 ( 1.456 0.840 -2.827) 3.289 10.767 ( 1.669 0.964 -4.029) 4.466 11.254 ( -0.621 -0.358 1.952) 2.079 11.570 ( -7.646 -4.414 -0.850) 8.870 11.986 ( 1.136 0.656 -3.287) 3.539 13.121 ( 7.778 4.491 0.629) 9.003 22.047 ( 0.967 0.558 0.979) 1.485 22.234 ( -0.967 -0.558 -1.241) 1.670 22.371 ( -6.885 -3.975 1.925) 8.180 22.730 ( 0.600 0.346 -2.526) 2.619 22.999 ( 2.880 1.663 -0.750) 3.409 23.645 ( -1.390 -0.802 -0.742) 1.768 23.751 ( 5.594 3.230 18.883) 19.957 23.902 ( 0.612 0.354 -15.333) 15.350 ======================= Grid point 124 (40/116) ======================= q-point: (-0.10 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( -22.029 -12.718 6.282) 26.201 1.044 ( -20.823 -12.022 1.507) 24.092 1.354 ( -26.250 -15.156 6.467) 30.993 1.415 ( -12.166 -7.024 -0.801) 14.071 1.965 ( -11.227 -6.482 -0.580) 12.977 2.880 ( 4.179 2.413 1.241) 4.982 2.992 ( 3.041 1.756 0.048) 3.512 3.062 ( -0.107 -0.062 -1.138) 1.145 3.128 ( -1.011 -0.584 -7.518) 7.608 3.305 ( -3.737 -2.157 0.959) 4.420 3.437 ( 2.455 1.418 0.652) 2.909 3.512 ( 2.582 1.491 -0.568) 3.035 4.029 ( -7.897 -4.559 1.267) 9.206 4.102 ( 4.114 2.375 0.207) 4.755 4.193 ( -0.619 -0.357 -14.984) 15.001 4.623 ( 2.482 1.433 13.758) 14.054 4.974 ( 1.389 0.802 -1.002) 1.892 5.022 ( 2.136 1.233 0.246) 2.479 5.225 ( 2.727 1.574 -1.959) 3.709 5.435 ( -4.126 -2.382 -0.313) 4.774 5.744 ( 13.590 7.846 -1.110) 15.732 9.084 ( 2.684 1.549 1.310) 3.364 9.244 ( -3.158 -1.823 2.957) 4.695 9.895 ( -0.395 -0.228 0.636) 0.783 10.136 ( -6.838 -3.948 -0.439) 7.908 10.640 ( 1.581 0.913 -2.247) 2.895 10.822 ( 3.360 1.940 -1.843) 4.295 11.246 ( -0.748 -0.432 1.378) 1.627 11.396 ( -6.702 -3.869 -1.099) 7.817 11.997 ( 0.843 0.487 1.526) 1.810 13.295 ( 6.818 3.936 -0.424) 7.884 22.076 ( 1.098 0.634 0.947) 1.583 22.204 ( -1.080 -0.624 -1.154) 1.699 22.238 ( -5.200 -3.002 1.485) 6.185 22.711 ( -0.701 -0.405 -4.800) 4.868 23.068 ( 2.854 1.648 0.514) 3.336 23.596 ( -1.784 -1.030 -1.285) 2.428 23.810 ( -1.246 -0.720 -24.775) 24.817 24.022 ( 7.826 4.518 31.690) 32.953 ======================= Grid point 127 (41/116) ======================= q-point: ( 0.20 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.779 ( 0.000 16.308 18.095) 24.359 0.820 ( 0.000 17.630 18.362) 25.455 1.081 ( -0.000 11.271 -7.970) 13.805 1.360 ( 0.000 14.737 31.743) 34.997 1.494 ( -0.000 25.281 -5.488) 25.870 2.746 ( -0.000 -0.327 -16.645) 16.648 2.873 ( -0.000 5.421 -20.800) 21.494 3.116 ( 0.000 -1.231 6.913) 7.021 3.141 ( -0.000 1.565 0.388) 1.612 3.187 ( 0.000 0.255 1.739) 1.757 3.372 ( -0.000 7.297 -8.383) 11.114 3.576 ( 0.000 -3.953 3.590) 5.341 3.701 ( -0.000 8.889 -1.625) 9.037 3.870 ( -0.000 7.159 0.470) 7.175 4.179 ( 0.000 -2.056 -0.814) 2.212 4.952 ( -0.000 -1.709 -2.214) 2.797 4.973 ( 0.000 -6.273 3.994) 7.437 5.062 ( 0.000 -0.917 0.131) 0.926 5.231 ( -0.000 -2.526 -3.464) 4.287 5.318 ( -0.000 4.031 -2.596) 4.795 5.942 ( -0.000 -7.743 -6.487) 10.101 9.137 ( 0.000 -1.081 -0.159) 1.093 9.182 ( -0.000 4.344 -1.151) 4.494 9.932 ( 0.000 0.003 3.658) 3.658 9.982 ( -0.000 4.662 1.649) 4.945 10.642 ( -0.000 -2.065 -1.807) 2.744 10.760 ( -0.000 4.598 -3.610) 5.846 11.241 ( -0.000 1.212 0.367) 1.266 11.257 ( -0.000 4.010 -0.570) 4.051 12.430 ( 0.000 -19.197 16.915) 25.586 13.389 ( -0.000 -4.635 -2.853) 5.443 22.087 ( -0.000 0.026 -1.564) 1.564 22.153 ( -0.000 4.922 -0.293) 4.930 22.191 ( 0.000 -0.131 1.449) 1.455 22.387 ( -0.000 12.119 -10.524) 16.051 23.150 ( 0.000 -1.197 2.100) 2.417 23.375 ( -0.000 4.214 -3.531) 5.497 23.551 ( -0.000 1.397 -1.302) 1.910 25.009 ( 0.000 -26.304 20.212) 33.173 ======================= Grid point 128 (42/116) ======================= q-point: ( 0.30 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( 9.808 15.364 9.821) 20.705 1.171 ( 10.067 16.947 14.260) 24.329 1.253 ( 8.622 15.362 -3.162) 17.897 1.667 ( 7.437 16.595 4.209) 18.666 1.853 ( 9.011 16.031 22.125) 28.769 2.641 ( -1.900 0.796 -14.619) 14.763 2.851 ( 2.739 0.499 -17.951) 18.166 3.111 ( -2.552 -2.234 6.318) 7.171 3.186 ( 2.886 0.162 0.433) 2.922 3.247 ( 4.019 1.744 -1.510) 4.634 3.381 ( -0.480 3.184 -6.787) 7.512 3.532 ( -1.450 -3.647 5.186) 6.504 3.815 ( 4.390 5.306 -5.519) 8.825 3.970 ( 2.133 7.777 -0.370) 8.073 4.130 ( -2.306 -2.410 -1.235) 3.557 4.863 ( -7.048 -5.128 5.077) 10.087 4.905 ( -1.393 -2.008 -3.604) 4.354 5.050 ( -1.289 0.442 0.044) 1.363 5.198 ( 1.306 -3.524 -2.656) 4.601 5.357 ( 1.348 3.743 -3.430) 5.253 5.789 ( -3.676 -10.800 -4.746) 12.356 9.106 ( -2.584 -0.041 -0.747) 2.690 9.212 ( -0.454 3.307 0.091) 3.339 9.951 ( 0.006 0.341 3.404) 3.421 10.069 ( 3.168 4.773 1.907) 6.038 10.631 ( 1.918 -3.133 -1.877) 4.125 10.786 ( 0.659 2.081 -2.753) 3.513 11.236 ( -1.104 2.100 0.244) 2.385 11.356 ( 4.658 5.120 -0.615) 6.949 12.300 ( -3.264 -11.868 13.878) 18.550 13.282 ( -4.088 -6.191 -3.601) 8.247 22.065 ( -1.775 0.890 -1.623) 2.565 22.160 ( 0.672 0.650 1.235) 1.549 22.267 ( 2.052 4.080 1.043) 4.685 22.511 ( 7.021 6.508 -9.459) 13.459 23.140 ( -0.586 -2.303 3.485) 4.218 23.377 ( -1.485 2.341 -5.551) 6.204 23.567 ( 0.704 1.999 -1.910) 2.853 24.769 ( -9.656 -17.665 19.008) 27.687 ======================= Grid point 129 (43/116) ======================= q-point: ( 0.40 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( 9.001 13.440 -1.078) 16.211 1.591 ( 13.129 13.677 9.694) 21.293 1.649 ( 14.130 16.521 7.540) 23.010 1.984 ( 10.045 12.784 -0.249) 16.260 2.256 ( 8.872 10.923 19.886) 24.361 2.574 ( -0.625 2.332 -10.872) 11.137 2.857 ( 7.351 0.339 -10.831) 13.094 3.034 ( -6.344 -3.203 5.023) 8.702 3.193 ( -3.179 0.368 -1.451) 3.514 3.319 ( 4.296 -0.532 -1.175) 4.485 3.370 ( -0.090 1.043 -4.621) 4.738 3.537 ( 2.682 -1.784 5.070) 6.007 3.874 ( 1.969 0.669 -6.862) 7.170 4.028 ( -3.128 -1.807 -1.120) 3.782 4.103 ( 1.716 7.513 -1.824) 7.919 4.705 ( -7.435 -4.337 2.838) 9.063 4.840 ( -1.335 -2.228 -3.727) 4.542 5.025 ( -2.602 1.902 -0.234) 3.231 5.175 ( 0.232 -2.651 -1.673) 3.143 5.376 ( 0.811 -3.832 -4.375) 5.872 5.592 ( -4.984 -6.520 -0.056) 8.207 9.044 ( -4.638 1.241 -0.381) 4.816 9.244 ( 1.312 1.290 0.549) 1.920 9.968 ( -0.557 1.098 2.492) 2.780 10.189 ( 4.422 2.901 2.489) 5.845 10.616 ( 1.236 -3.546 -1.891) 4.205 10.797 ( 0.928 -0.325 -1.559) 1.844 11.255 ( -0.377 3.746 0.672) 3.824 11.498 ( 5.679 5.692 -1.179) 8.127 12.217 ( -2.002 -7.182 9.127) 11.785 13.104 ( -6.427 -6.544 -4.131) 10.060 22.038 ( -1.595 1.032 -0.999) 2.146 22.196 ( 2.983 -1.827 0.958) 3.627 22.351 ( 1.296 6.813 0.250) 6.940 22.647 ( 6.510 3.961 -5.710) 9.522 23.115 ( -1.695 -3.218 4.806) 6.027 23.325 ( -2.794 1.024 -5.768) 6.491 23.594 ( 1.270 2.193 -2.865) 3.825 24.529 ( -9.559 -12.677 14.388) 21.427 ======================= Grid point 130 (44/116) ======================= q-point: ( 0.50 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.701 ( 6.632 11.006 -0.926) 12.883 1.975 ( 12.341 10.384 5.978) 17.201 2.069 ( 11.300 14.828 6.886) 19.874 2.216 ( 5.429 5.705 -0.287) 7.880 2.536 ( 4.563 4.423 -2.602) 6.866 2.578 ( 4.157 6.597 2.535) 8.199 2.871 ( -10.080 -4.480 3.828) 11.676 3.017 ( 6.808 -0.953 0.812) 6.922 3.103 ( -1.172 -0.228 -0.060) 1.196 3.349 ( -0.429 -1.399 -0.937) 1.738 3.386 ( 3.640 1.907 -1.389) 4.337 3.610 ( 4.232 -0.383 2.042) 4.714 3.835 ( -0.535 -2.658 -7.309) 7.796 3.928 ( -4.617 -1.292 -3.772) 6.100 4.210 ( 1.891 7.086 -0.075) 7.334 4.559 ( -5.363 -3.266 0.335) 6.288 4.791 ( 0.262 -2.116 -3.004) 3.684 5.004 ( -2.490 3.081 -0.527) 3.997 5.106 ( -2.532 -7.293 -2.239) 8.038 5.256 ( -4.446 -4.587 1.317) 6.522 5.545 ( 1.124 -0.190 -0.627) 1.301 8.978 ( -4.575 1.927 0.497) 4.989 9.286 ( 2.391 -0.319 1.002) 2.612 9.976 ( -1.295 1.858 1.422) 2.674 10.287 ( 3.380 -0.109 3.235) 4.680 10.590 ( 0.912 -3.274 -2.244) 4.072 10.799 ( 1.930 -2.683 -1.769) 3.749 11.301 ( -0.969 6.520 0.988) 6.665 11.647 ( 5.703 5.333 -1.739) 7.999 12.149 ( -2.989 -5.604 4.905) 8.025 12.920 ( -4.989 -5.115 -3.240) 7.846 22.023 ( -1.005 1.009 -0.405) 1.481 22.225 ( 2.647 -2.875 0.414) 3.930 22.455 ( 2.511 7.415 -0.671) 7.858 22.758 ( 3.845 3.596 -1.984) 5.627 23.044 ( -4.945 -3.375 2.196) 6.377 23.285 ( 0.289 0.247 -0.932) 1.007 23.627 ( 1.801 2.176 -4.096) 4.975 24.314 ( -8.342 -10.246 9.150) 16.071 ======================= Grid point 131 (45/116) ======================= q-point: ( 0.60 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.861 ( 0.940 7.385 -0.193) 7.447 2.232 ( 5.618 2.578 0.692) 6.220 2.333 ( 2.608 4.789 3.647) 6.560 2.382 ( 6.020 12.158 3.330) 13.969 2.519 ( -5.905 2.099 -2.597) 6.783 2.640 ( -11.996 -4.553 2.842) 13.141 2.783 ( 7.089 2.187 0.365) 7.428 2.971 ( -1.866 2.520 0.357) 3.156 3.179 ( 5.507 -9.055 1.024) 10.647 3.312 ( -2.218 -4.215 5.419) 7.215 3.456 ( -1.227 4.487 -5.841) 7.467 3.697 ( 1.582 2.734 2.135) 3.812 3.771 ( 0.399 -1.904 -7.954) 8.189 3.858 ( 5.551 -1.682 -2.653) 6.378 4.307 ( 1.059 5.901 2.928) 6.672 4.471 ( -1.725 -1.469 -0.377) 2.297 4.782 ( 2.166 -1.676 -2.086) 3.443 4.953 ( -1.490 -7.491 1.229) 7.736 5.008 ( -2.283 2.874 -1.541) 3.981 5.184 ( -4.423 2.324 1.458) 5.205 5.563 ( 2.167 -1.637 -1.501) 3.103 8.939 ( -2.741 2.642 1.302) 4.024 9.323 ( 2.193 -1.894 1.998) 3.520 9.974 ( -2.013 2.454 0.513) 3.215 10.338 ( 2.160 -2.128 4.037) 5.049 10.567 ( 1.160 -2.466 -2.556) 3.737 10.787 ( 2.216 -4.915 -3.475) 6.414 11.346 ( -3.159 8.031 0.931) 8.680 11.778 ( 4.460 4.267 -2.042) 6.501 12.034 ( -5.298 -5.297 1.037) 7.563 12.829 ( 0.268 -2.261 -0.781) 2.407 22.020 ( -0.447 1.128 0.096) 1.217 22.234 ( 1.783 -3.200 -0.175) 3.668 22.572 ( 3.256 6.307 -1.189) 7.196 22.810 ( -3.874 3.250 2.285) 5.549 22.924 ( -2.628 -2.798 -2.871) 4.793 23.341 ( 4.541 0.393 5.371) 7.045 23.659 ( 1.936 1.997 -5.264) 5.954 24.122 ( -6.665 -8.359 4.200) 11.487 ======================= Grid point 132 (46/116) ======================= q-point: (-0.30 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.867 ( -6.265 2.766 0.108) 6.849 2.196 ( -13.687 -3.982 4.491) 14.945 2.281 ( -14.345 -0.794 -1.600) 14.456 2.348 ( -5.747 -1.095 3.472) 6.803 2.487 ( -4.864 -1.198 -1.861) 5.344 2.597 ( 4.340 8.576 1.143) 9.679 2.854 ( 2.228 -2.280 -1.599) 3.566 3.035 ( 3.164 4.683 1.180) 5.774 3.149 ( 1.202 -8.217 0.842) 8.347 3.277 ( 1.885 -2.886 3.201) 4.704 3.359 ( -5.739 -0.187 -6.085) 8.366 3.656 ( -3.930 -0.214 -2.377) 4.598 3.801 ( 5.043 0.743 -2.901) 5.865 4.036 ( 9.483 -0.141 0.893) 9.526 4.377 ( -1.509 4.743 2.203) 5.443 4.479 ( 2.023 0.861 4.136) 4.684 4.815 ( 4.524 -1.335 -1.785) 5.043 4.935 ( 6.064 -2.675 0.860) 6.684 4.996 ( -2.553 4.674 -1.620) 5.566 5.150 ( -2.468 2.430 -0.231) 3.471 5.568 ( 1.181 -2.123 -1.178) 2.700 8.951 ( -0.311 3.444 1.732) 3.867 9.337 ( 0.921 -3.405 3.034) 4.653 9.961 ( -2.478 2.602 0.045) 3.593 10.364 ( 1.398 -3.034 4.453) 5.567 10.559 ( 1.697 -1.499 -2.739) 3.554 10.743 ( 1.019 -4.799 -5.246) 7.182 11.351 ( -5.128 6.254 1.148) 8.168 11.824 ( -4.365 -0.168 -0.941) 4.469 11.923 ( 0.592 -1.114 -2.108) 2.457 12.872 ( 5.471 0.324 0.594) 5.512 22.031 ( 0.022 1.386 0.478) 1.466 22.223 ( 1.109 -3.535 -0.598) 3.753 22.658 ( -1.902 0.418 1.266) 2.323 22.702 ( -6.067 4.678 -0.871) 7.711 22.912 ( 2.110 -0.326 -1.967) 2.903 23.491 ( 7.274 1.422 8.591) 11.346 23.683 ( 1.304 1.859 -4.562) 5.096 23.959 ( -4.394 -6.416 -0.562) 7.797 ======================= Grid point 133 (47/116) ======================= q-point: (-0.20 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( -14.084 -1.678 0.656) 14.199 1.837 ( -22.363 -5.315 5.762) 23.697 1.950 ( -18.677 -2.052 -0.922) 18.813 2.173 ( -17.687 -5.488 1.147) 18.555 2.318 ( -7.211 -4.639 1.243) 8.664 2.734 ( 3.162 4.668 0.824) 5.698 2.880 ( 3.575 1.567 -2.323) 4.542 3.077 ( -0.265 -4.227 -1.112) 4.378 3.158 ( 1.903 3.583 -3.276) 5.215 3.244 ( -0.083 -0.919 0.883) 1.277 3.357 ( 5.006 -1.897 1.301) 5.510 3.563 ( -4.852 -0.656 -2.245) 5.386 3.907 ( 6.491 1.169 -0.265) 6.600 4.120 ( 2.722 -2.563 -1.744) 4.126 4.356 ( -6.113 3.549 -1.809) 7.296 4.543 ( 1.339 -0.772 8.494) 8.634 4.879 ( 4.284 -0.450 -1.105) 4.447 4.999 ( -0.971 4.486 -0.160) 4.593 5.133 ( 5.579 1.954 -1.340) 6.061 5.166 ( 11.695 2.175 -2.217) 12.100 5.548 ( -0.908 -1.781 -0.060) 2.000 9.007 ( 1.393 3.751 1.554) 4.293 9.315 ( -0.587 -4.513 3.427) 5.697 9.942 ( -2.425 2.135 0.201) 3.237 10.339 ( -2.524 -4.606 2.070) 5.645 10.570 ( 2.319 -0.489 -2.731) 3.616 10.713 ( 2.183 -0.733 -3.333) 4.051 11.315 ( -4.449 2.611 1.501) 5.373 11.676 ( -8.317 -2.040 -1.072) 8.631 11.958 ( 1.953 1.303 -1.506) 2.789 13.010 ( 8.467 1.621 0.109) 8.621 22.052 ( 0.362 1.719 0.649) 1.873 22.197 ( 0.624 -3.917 -0.700) 4.027 22.512 ( -9.416 -0.534 1.503) 9.550 22.732 ( -0.351 3.262 -2.361) 4.042 22.953 ( 3.256 0.469 -0.242) 3.299 23.628 ( 2.754 0.102 -4.717) 5.463 23.753 ( 4.852 2.225 10.860) 12.100 23.842 ( -1.079 -3.347 -3.093) 4.683 ======================= Grid point 134 (48/116) ======================= q-point: (-0.10 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.364 ( -21.503 -3.460 4.397) 22.219 1.402 ( -24.651 -4.058 5.503) 25.582 1.617 ( -16.775 -1.840 -1.478) 16.941 1.746 ( -25.144 -5.591 9.135) 27.330 2.116 ( -11.668 -3.884 -0.128) 12.298 2.811 ( 3.542 -0.058 -3.092) 4.703 2.969 ( 3.511 4.208 -2.124) 5.878 3.039 ( 0.891 -2.737 -2.750) 3.981 3.134 ( -2.197 2.906 -1.580) 3.971 3.345 ( 4.847 1.752 4.878) 7.097 3.377 ( -1.011 -4.116 -1.727) 4.577 3.493 ( -0.387 1.014 -2.090) 2.355 4.027 ( 5.864 0.794 -0.812) 5.973 4.083 ( -2.220 -2.981 -2.964) 4.754 4.226 ( -8.418 1.724 -8.079) 11.794 4.615 ( 3.978 -2.294 10.526) 11.484 4.933 ( 2.863 0.035 -2.165) 3.590 5.033 ( -0.174 3.076 0.773) 3.177 5.170 ( 2.906 0.530 -1.912) 3.519 5.455 ( 5.472 0.988 -4.835) 7.369 5.542 ( 9.550 1.373 3.123) 10.141 9.076 ( 1.839 2.712 0.690) 3.349 9.262 ( -1.597 -4.833 2.781) 5.800 9.924 ( -1.827 1.078 0.949) 2.324 10.214 ( -6.279 -3.534 -1.434) 7.346 10.605 ( 2.411 1.003 -1.749) 3.143 10.769 ( 3.763 1.422 -0.249) 4.030 11.271 ( -2.509 -0.332 1.067) 2.747 11.507 ( -8.656 -0.867 -1.006) 8.757 11.999 ( 1.419 1.783 2.351) 3.274 13.179 ( 8.953 1.333 -1.028) 9.110 22.081 ( 0.514 1.653 0.241) 1.748 22.163 ( 0.175 -3.650 -0.200) 3.659 22.363 ( -7.850 -0.057 0.937) 7.906 22.719 ( -1.936 1.657 -4.072) 4.804 23.026 ( 3.742 0.855 1.242) 4.034 23.604 ( -0.808 -0.284 -6.663) 6.718 23.716 ( -1.304 -3.770 -11.887) 12.538 24.037 ( 9.625 3.543 23.414) 25.561 ======================= Grid point 138 (49/116) ======================= q-point: ( 0.30 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( -0.000 15.804 3.281) 16.141 1.339 ( -0.000 18.387 3.559) 18.728 1.340 ( 0.000 19.162 12.759) 23.022 1.793 ( -0.000 21.295 -4.537) 21.773 2.087 ( 0.000 16.513 30.676) 34.838 2.583 ( -0.000 0.112 -16.692) 16.693 2.763 ( -0.000 2.175 -16.342) 16.486 3.123 ( 0.000 -4.291 3.049) 5.264 3.148 ( 0.000 -1.834 6.356) 6.615 3.258 ( -0.000 6.175 -3.547) 7.121 3.386 ( -0.000 2.506 -5.176) 5.750 3.529 ( 0.000 -4.310 4.804) 6.454 3.796 ( -0.000 2.917 -4.787) 5.606 4.042 ( -0.000 9.449 -0.396) 9.457 4.118 ( -0.000 -2.372 -1.823) 2.992 4.857 ( -0.000 -3.186 -6.337) 7.093 4.942 ( 0.000 -2.881 7.460) 7.997 5.039 ( 0.000 -1.985 1.061) 2.251 5.136 ( -0.000 -3.154 -3.798) 4.937 5.359 ( -0.000 0.953 -4.811) 4.905 5.679 ( 0.000 -10.668 -4.718) 11.664 9.102 ( 0.000 -2.178 -0.178) 2.186 9.283 ( -0.000 6.595 -1.364) 6.735 9.965 ( 0.000 -0.349 3.792) 3.808 10.111 ( -0.000 6.178 2.025) 6.502 10.571 ( -0.000 -2.899 -2.201) 3.640 10.787 ( -0.000 0.740 -1.397) 1.581 11.276 ( -0.000 1.755 0.517) 1.829 11.364 ( -0.000 7.120 -0.825) 7.167 12.253 ( 0.000 -13.154 12.315) 18.019 13.232 ( -0.000 -7.429 -3.806) 8.347 22.068 ( -0.000 -0.483 -1.356) 1.440 22.207 ( 0.000 0.358 1.236) 1.287 22.283 ( -0.000 7.349 1.512) 7.503 22.473 ( -0.000 6.451 -8.231) 10.457 23.132 ( 0.000 -3.424 3.615) 4.979 23.393 ( -0.000 1.944 -4.804) 5.183 23.578 ( -0.000 3.068 -2.354) 3.867 24.740 ( 0.000 -19.256 16.045) 25.065 ======================= Grid point 139 (50/116) ======================= q-point: ( 0.40 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( 6.096 15.065 -2.592) 16.457 1.635 ( 5.683 17.815 9.348) 20.906 1.646 ( 9.419 17.749 8.809) 21.940 2.017 ( 3.559 18.393 -2.103) 18.852 2.385 ( 1.059 11.588 18.882) 22.180 2.540 ( 2.387 3.484 -10.502) 11.320 2.725 ( 2.259 1.115 -9.006) 9.352 3.116 ( -1.712 -2.923 5.306) 6.295 3.156 ( 3.769 -3.577 1.796) 5.497 3.291 ( -1.160 3.557 -3.950) 5.441 3.380 ( -1.282 2.417 -3.483) 4.429 3.511 ( 0.346 -2.488 5.276) 5.843 3.803 ( 2.002 -1.403 -6.102) 6.574 4.061 ( -2.557 -1.131 -1.900) 3.381 4.152 ( 1.436 9.059 -1.607) 9.312 4.763 ( -3.629 -3.689 -5.710) 7.706 4.868 ( -5.560 -3.007 4.496) 7.757 5.073 ( 0.096 1.373 0.820) 1.602 5.101 ( 3.215 -3.708 -1.495) 5.131 5.287 ( -0.823 -9.045 -6.978) 11.454 5.579 ( -0.875 -3.929 -0.700) 4.086 9.082 ( 0.100 -1.630 -0.352) 1.671 9.306 ( -3.715 5.897 -0.778) 7.012 9.985 ( 0.670 -0.061 2.892) 2.969 10.192 ( 1.127 4.963 2.661) 5.743 10.544 ( 1.285 -3.381 -2.075) 4.170 10.781 ( -0.139 -0.912 -0.730) 1.176 11.298 ( 0.281 3.251 0.644) 3.326 11.472 ( 3.709 7.105 -1.085) 8.088 12.184 ( 0.117 -10.257 9.059) 13.685 13.104 ( -3.752 -7.467 -3.989) 9.260 22.059 ( -0.091 -0.058 -1.339) 1.344 22.185 ( -1.905 0.479 1.393) 2.408 22.397 ( 1.799 7.219 1.311) 7.554 22.549 ( 5.722 4.966 -6.195) 9.787 23.110 ( -0.041 -4.530 4.090) 6.103 23.366 ( -2.428 1.480 -4.408) 5.245 23.599 ( -0.071 3.512 -3.125) 4.701 24.576 ( -5.217 -16.592 12.994) 21.711 ======================= Grid point 140 (51/116) ======================= q-point: ( 0.50 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.701 ( 7.317 13.280 -1.743) 15.262 1.952 ( 7.425 14.214 5.139) 16.840 2.049 ( 12.152 15.455 7.018) 20.875 2.217 ( 2.674 9.805 -0.357) 10.169 2.501 ( 3.503 6.036 -4.809) 8.476 2.602 ( 1.002 6.138 -4.814) 7.865 2.869 ( 8.424 2.327 12.255) 15.052 3.029 ( -7.406 -1.982 4.239) 8.761 3.192 ( -3.772 0.347 -0.388) 3.807 3.267 ( 6.121 -4.409 -0.688) 7.575 3.364 ( -1.915 2.073 0.059) 2.823 3.552 ( 2.561 0.485 1.721) 3.124 3.762 ( 0.632 -5.143 -6.972) 8.687 3.980 ( -4.157 -1.035 -4.196) 5.996 4.261 ( 1.448 8.729 -1.389) 8.957 4.619 ( -5.614 -3.803 -2.639) 7.276 4.774 ( -2.623 -2.981 0.092) 3.971 5.052 ( -1.783 -7.027 -4.170) 8.363 5.076 ( -2.733 0.423 -0.715) 2.857 5.204 ( 4.386 -4.087 1.159) 6.106 5.541 ( -1.090 -1.415 0.002) 1.786 9.066 ( -1.519 0.704 0.042) 1.675 9.284 ( -2.808 2.393 0.094) 3.691 10.011 ( 0.417 1.159 1.188) 1.711 10.261 ( 1.215 1.228 3.686) 4.071 10.522 ( 1.246 -3.452 -1.898) 4.132 10.755 ( -0.330 -2.447 -0.909) 2.631 11.366 ( 1.698 5.861 0.550) 6.127 11.608 ( 4.562 6.411 -1.356) 7.985 12.132 ( -0.125 -7.793 5.462) 9.518 12.935 ( -5.048 -6.163 -3.449) 8.681 22.050 ( -0.698 0.866 -0.870) 1.412 22.174 ( 0.336 -1.242 1.039) 1.654 22.494 ( 1.334 7.051 -0.520) 7.195 22.691 ( 6.672 4.601 -2.850) 8.591 23.078 ( -0.842 -4.347 3.772) 5.817 23.308 ( -3.248 0.960 -2.320) 4.106 23.617 ( 0.177 3.282 -3.937) 5.129 24.368 ( -6.730 -13.946 9.165) 17.994 ======================= Grid point 141 (52/116) ======================= q-point: ( 0.60 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.920 ( 3.686 10.942 -0.663) 11.565 2.172 ( 4.512 4.649 -0.794) 6.527 2.350 ( 4.174 8.075 2.844) 9.525 2.399 ( 8.266 11.539 3.810) 14.697 2.592 ( 1.395 6.668 -4.136) 7.969 2.697 ( 4.124 4.572 -3.347) 7.008 2.852 ( -10.898 -2.793 6.060) 12.779 3.027 ( 2.177 -7.510 4.014) 8.789 3.075 ( -5.591 2.981 3.241) 7.117 3.347 ( -3.010 -1.340 5.987) 6.834 3.430 ( 9.601 3.293 -1.231) 10.225 3.602 ( 4.622 -1.737 0.457) 4.959 3.685 ( 1.384 -4.533 -7.263) 8.673 3.845 ( -5.705 -2.394 -6.707) 9.125 4.361 ( 1.317 6.914 0.588) 7.063 4.495 ( -3.580 -2.297 -1.193) 4.418 4.729 ( 0.767 -2.143 -1.185) 2.566 4.892 ( -2.043 -9.175 -0.837) 9.437 5.082 ( -1.604 4.736 -1.231) 5.149 5.253 ( 0.594 0.895 2.534) 2.752 5.506 ( 0.208 -2.891 -1.214) 3.143 9.042 ( -3.720 3.532 0.830) 5.197 9.271 ( 0.929 -2.222 0.971) 2.596 10.032 ( -0.623 2.974 -0.337) 3.058 10.292 ( 1.388 -2.855 4.159) 5.232 10.504 ( 1.325 -2.877 -1.612) 3.554 10.715 ( -0.181 -3.208 -1.807) 3.687 11.461 ( 0.533 7.889 -0.149) 7.908 11.737 ( 4.270 5.012 -1.194) 6.691 12.057 ( -2.776 -6.386 2.119) 7.278 12.804 ( -2.009 -3.861 -1.628) 4.647 22.046 ( -0.769 1.528 -0.211) 1.724 22.173 ( 1.231 -2.615 0.322) 2.908 22.587 ( 2.067 6.347 -0.927) 6.739 22.816 ( 4.096 2.396 -1.582) 5.002 23.016 ( -5.686 0.484 1.544) 5.912 23.285 ( 2.093 -1.640 2.391) 3.576 23.635 ( 0.742 2.841 -4.409) 5.297 24.159 ( -6.411 -11.283 5.163) 13.967 ======================= Grid point 142 (53/116) ======================= q-point: (-0.30 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.007 ( -4.115 6.442 -0.355) 7.652 2.256 ( 3.750 0.527 0.703) 3.851 2.468 ( -5.488 4.044 2.789) 7.366 2.525 ( -5.563 -0.364 -0.371) 5.588 2.590 ( -7.060 2.407 0.131) 7.460 2.679 ( -4.585 10.141 0.891) 11.165 2.791 ( 1.450 0.322 -1.183) 1.899 2.967 ( 4.970 -6.782 1.116) 8.482 3.102 ( 0.095 2.247 2.460) 3.333 3.262 ( -3.786 -7.368 7.087) 10.902 3.429 ( -6.205 -0.387 -6.926) 9.307 3.671 ( 2.773 -0.768 -4.884) 5.668 3.735 ( -1.076 0.108 -2.291) 2.533 3.821 ( 15.439 -0.309 1.688) 15.534 4.429 ( -0.783 1.503 -0.118) 1.699 4.468 ( 2.485 2.614 1.836) 4.047 4.738 ( 2.253 -0.738 -1.815) 2.986 4.823 ( 2.701 -4.965 0.585) 5.682 5.087 ( -2.850 4.886 -1.020) 5.748 5.243 ( -4.290 1.439 1.815) 4.876 5.496 ( 2.931 -2.900 -1.603) 4.424 9.027 ( -2.952 4.425 1.177) 5.448 9.274 ( 2.459 -4.833 1.912) 5.749 10.041 ( -2.348 4.195 -0.920) 4.894 10.303 ( 2.520 -4.992 3.560) 6.629 10.497 ( 1.715 -2.126 -1.574) 3.152 10.674 ( 0.115 -2.465 -2.378) 3.427 11.513 ( -3.947 7.390 -0.412) 8.388 11.841 ( 3.240 3.256 -0.739) 4.652 11.932 ( -4.907 -4.758 -0.127) 6.836 12.786 ( 3.380 -1.614 -0.112) 3.748 22.053 ( -0.437 1.938 0.233) 2.000 22.165 ( 1.135 -3.262 -0.211) 3.460 22.676 ( 1.467 4.640 -0.084) 4.867 22.839 ( -0.622 -2.610 -2.762) 3.850 22.925 ( -7.367 5.383 1.830) 9.306 23.378 ( 8.215 -2.174 3.289) 9.112 23.664 ( 1.498 3.097 -2.599) 4.312 23.975 ( -5.319 -8.194 1.868) 9.946 ======================= Grid point 143 (54/116) ======================= q-point: (-0.20 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.915 ( -10.401 1.413 0.615) 10.514 2.194 ( -19.334 -1.948 4.153) 19.871 2.283 ( -18.229 1.539 -0.297) 18.297 2.323 ( -1.201 -2.840 0.450) 3.117 2.463 ( -13.217 0.081 3.423) 13.653 2.747 ( -0.250 2.300 -0.628) 2.397 2.816 ( 4.242 4.391 -4.041) 7.321 3.018 ( 2.400 -7.264 1.886) 7.879 3.130 ( 2.955 2.793 1.134) 4.221 3.242 ( 5.398 -4.554 2.798) 7.597 3.289 ( -5.782 1.707 -4.448) 7.492 3.631 ( -3.850 0.686 -2.044) 4.413 3.802 ( 6.141 0.720 0.032) 6.183 4.021 ( 7.026 -0.962 -0.939) 7.154 4.430 ( -0.695 1.095 -0.653) 1.452 4.546 ( 1.449 -0.504 1.877) 2.424 4.784 ( 4.920 0.149 -1.834) 5.253 4.904 ( 10.900 -0.494 -0.547) 10.925 5.082 ( -2.463 4.137 0.837) 4.887 5.173 ( -3.923 -0.350 -0.250) 3.947 5.520 ( 2.134 -1.044 -0.585) 2.447 9.041 ( -0.588 3.158 0.911) 3.339 9.269 ( 1.495 -5.033 2.222) 5.701 10.023 ( -3.555 3.054 -0.325) 4.698 10.303 ( 1.534 -5.064 0.605) 5.326 10.512 ( 2.453 -0.251 -1.427) 2.849 10.666 ( 1.604 0.273 -0.588) 1.730 11.461 ( -7.622 3.217 0.345) 8.281 11.790 ( -6.711 -1.207 -1.166) 6.918 11.927 ( 3.092 1.555 0.396) 3.484 12.873 ( 7.441 -0.320 -0.410) 7.459 22.070 ( -0.038 1.790 0.217) 1.804 22.148 ( 0.734 -2.819 -0.213) 2.921 22.658 ( -6.694 -0.985 0.141) 6.767 22.795 ( -2.850 4.930 -1.969) 6.026 22.908 ( 1.245 -0.216 1.965) 2.336 23.496 ( 7.175 -2.934 -5.350) 9.418 23.752 ( 3.394 4.147 4.763) 7.170 23.836 ( -2.766 -4.646 2.028) 5.775 ======================= Grid point 144 (55/116) ======================= q-point: (-0.10 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( -15.758 0.102 2.595) 15.971 1.808 ( -22.674 -2.605 3.473) 23.086 1.945 ( -20.895 1.106 0.786) 20.939 2.162 ( -18.668 0.277 7.264) 20.033 2.273 ( -9.127 -0.155 2.636) 9.502 2.744 ( 1.142 -1.597 -4.098) 4.545 2.928 ( 4.066 5.634 -4.995) 8.557 2.976 ( 1.289 -5.263 -0.128) 5.420 3.215 ( 0.315 -1.361 -1.176) 1.826 3.240 ( 2.427 3.672 2.622) 5.123 3.336 ( 4.976 0.101 1.450) 5.183 3.554 ( -5.050 1.385 -1.311) 5.398 3.919 ( 6.426 0.232 -0.149) 6.431 4.059 ( 0.838 -0.789 -3.990) 4.153 4.353 ( -7.808 -0.496 -6.044) 9.886 4.558 ( 3.112 -3.715 5.311) 7.189 4.859 ( 4.131 0.104 -2.749) 4.963 5.070 ( -1.708 -1.357 0.964) 2.385 5.140 ( 1.738 1.295 -1.239) 2.497 5.187 ( 16.997 2.664 -0.418) 17.209 5.531 ( -0.358 -0.041 0.538) 0.647 9.063 ( 1.083 -0.940 0.107) 1.438 9.249 ( -0.342 -2.296 1.602) 2.821 9.980 ( -3.147 0.220 0.653) 3.221 10.255 ( -2.314 -1.657 -2.040) 3.502 10.565 ( 2.989 1.814 -0.665) 3.559 10.728 ( 3.234 2.093 1.682) 4.203 11.346 ( -6.336 -0.905 0.538) 6.423 11.651 ( -8.266 0.563 -1.128) 8.362 11.999 ( 2.510 1.950 2.965) 4.346 13.014 ( 9.265 -0.500 -1.654) 9.424 22.077 ( 0.180 -1.109 -0.770) 1.362 22.146 ( 0.376 1.032 0.747) 1.328 22.504 ( -8.653 -1.116 -0.186) 8.727 22.769 ( -3.063 1.998 -1.805) 4.078 22.973 ( 3.981 0.399 2.458) 4.696 23.511 ( 3.375 -3.212 -11.669) 12.565 23.708 ( -3.712 -1.719 -2.284) 4.685 23.995 ( 9.261 2.929 15.931) 18.658 ======================= Grid point 149 (56/116) ======================= q-point: ( 0.40 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( -0.000 14.329 -2.590) 14.561 1.782 ( 0.000 17.236 9.117) 19.499 1.812 ( -0.000 18.164 7.289) 19.572 2.178 ( -0.000 18.857 -0.991) 18.883 2.452 ( -0.000 1.418 -13.733) 13.806 2.592 ( -0.000 9.471 2.315) 9.749 2.720 ( 0.000 4.326 11.123) 11.935 3.031 ( 0.000 -7.340 1.987) 7.605 3.163 ( 0.000 -1.749 4.088) 4.446 3.325 ( -0.000 3.816 -4.942) 6.244 3.419 ( -0.000 4.720 -1.358) 4.912 3.514 ( 0.000 -1.807 5.847) 6.119 3.729 ( -0.000 -4.116 -5.944) 7.230 4.056 ( -0.000 -1.502 -3.819) 4.104 4.224 ( -0.000 9.169 -1.378) 9.272 4.731 ( -0.000 -2.055 -8.053) 8.311 4.955 ( 0.000 -5.437 6.988) 8.854 4.990 ( 0.000 -3.836 0.435) 3.860 5.063 ( -0.000 -1.134 -1.352) 1.764 5.159 ( -0.000 -10.202 -6.340) 12.012 5.562 ( -0.000 -0.730 -0.651) 0.978 9.052 ( 0.000 -2.403 -0.481) 2.451 9.408 ( -0.000 7.087 -1.995) 7.363 9.986 ( 0.000 -0.778 2.823) 2.928 10.253 ( 0.000 5.417 2.769) 6.084 10.495 ( -0.000 -2.743 -1.437) 3.097 10.768 ( 0.000 -1.720 -0.318) 1.749 11.316 ( -0.000 1.737 0.216) 1.751 11.514 ( -0.000 8.189 -0.712) 8.220 12.116 ( 0.000 -10.017 7.741) 12.660 13.045 ( -0.000 -7.052 -3.639) 7.935 22.046 ( -0.000 -0.500 -1.064) 1.176 22.225 ( 0.000 0.388 1.016) 1.088 22.463 ( -0.000 8.156 2.209) 8.450 22.518 ( -0.000 5.012 -5.395) 7.364 23.073 ( 0.000 -5.822 3.269) 6.677 23.382 ( -0.000 1.169 -3.241) 3.446 23.628 ( -0.000 4.910 -3.953) 6.303 24.506 ( 0.000 -16.993 10.838) 20.155 ======================= Grid point 150 (57/116) ======================= q-point: ( 0.50 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.701 ( 5.632 11.896 -1.578) 13.256 2.040 ( 2.756 15.671 3.720) 16.341 2.055 ( 7.465 14.630 7.438) 18.030 2.313 ( -2.158 9.703 -1.179) 10.009 2.467 ( 4.536 7.190 -7.431) 11.291 2.604 ( -0.056 2.725 -8.532) 8.957 2.906 ( 2.352 6.315 19.454) 20.588 3.035 ( 8.145 -7.559 1.095) 11.166 3.125 ( -3.914 -2.218 2.516) 5.154 3.293 ( -4.073 0.818 -2.996) 5.122 3.456 ( -2.097 6.110 2.497) 6.926 3.546 ( 1.111 1.763 3.138) 3.767 3.654 ( 0.635 -6.747 -6.326) 9.270 3.997 ( -2.261 -2.250 -5.827) 6.643 4.314 ( 1.113 7.924 -1.763) 8.193 4.645 ( -3.380 -1.782 -6.708) 7.720 4.805 ( -5.025 -8.573 1.532) 10.054 5.003 ( -3.338 -5.454 -2.186) 6.758 5.024 ( 4.945 -4.887 -1.458) 7.104 5.139 ( 3.596 2.133 3.516) 5.463 5.542 ( -0.973 -1.525 -0.544) 1.889 9.042 ( 1.676 -1.773 -0.494) 2.489 9.414 ( -5.457 5.689 -1.880) 8.104 10.000 ( 1.244 -0.553 1.529) 2.047 10.305 ( -1.174 3.106 3.504) 4.827 10.471 ( 0.639 -2.250 -0.733) 2.451 10.739 ( -0.662 -2.390 -0.674) 2.571 11.362 ( 3.079 2.514 -0.038) 3.975 11.614 ( 2.352 7.695 -0.731) 8.080 12.063 ( 0.957 -8.581 5.493) 10.234 12.935 ( -3.280 -5.437 -3.004) 7.024 22.044 ( 0.702 -0.210 -0.889) 1.152 22.204 ( -2.632 0.277 0.956) 2.814 22.537 ( 0.887 5.681 -2.195) 6.154 22.623 ( 5.376 6.236 0.182) 8.235 23.032 ( 0.947 -6.302 2.497) 6.844 23.363 ( -2.173 1.194 -1.652) 2.979 23.651 ( -1.127 5.381 -4.640) 7.194 24.352 ( -3.666 -15.370 8.145) 17.777 ======================= Grid point 151 (58/116) ======================= q-point: ( 0.60 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.917 ( 7.315 8.591 -0.493) 11.294 2.192 ( -0.522 7.372 -2.516) 7.808 2.355 ( 8.113 8.798 3.272) 12.407 2.393 ( 3.890 9.022 3.603) 10.464 2.599 ( 2.638 5.691 -3.916) 7.395 2.638 ( 5.502 3.903 -2.883) 7.336 2.989 ( -1.038 -5.295 4.025) 6.732 3.007 ( -7.737 -3.262 3.628) 9.147 3.197 ( 13.077 -1.124 1.051) 13.167 3.225 ( -3.821 3.344 3.839) 6.365 3.471 ( -6.179 2.031 6.839) 9.438 3.554 ( 1.516 -1.979 -5.985) 6.483 3.608 ( 0.104 0.406 0.029) 0.420 3.867 ( -4.516 -4.473 -8.117) 10.310 4.400 ( 1.489 5.836 -0.955) 6.098 4.534 ( -4.173 -1.558 -3.419) 5.615 4.687 ( -0.198 -5.607 0.661) 5.649 4.868 ( -4.407 -4.521 -0.519) 6.335 5.089 ( 4.526 0.586 -1.119) 4.699 5.242 ( 2.893 2.976 2.793) 5.002 5.488 ( -1.919 -3.388 -0.599) 3.940 9.069 ( 2.626 -0.351 -0.041) 2.650 9.331 ( -7.400 2.280 -1.017) 7.810 10.032 ( 2.132 0.586 -0.192) 2.219 10.302 ( -2.346 -0.648 3.640) 4.378 10.461 ( 0.492 -1.462 -0.173) 1.553 10.697 ( -0.991 -2.081 -1.205) 2.601 11.466 ( 4.999 3.719 -0.402) 6.243 11.731 ( 2.856 6.693 -0.636) 7.304 12.019 ( 0.349 -7.357 3.008) 7.956 12.813 ( -3.884 -3.144 -1.764) 5.299 22.056 ( 0.868 0.471 -0.594) 1.153 22.164 ( -2.001 -0.680 0.695) 2.225 22.608 ( 1.980 5.482 -1.712) 6.075 22.763 ( 3.895 2.756 0.403) 4.788 23.025 ( 3.660 -3.039 1.576) 5.011 23.313 ( -4.376 0.378 0.301) 4.403 23.657 ( -1.333 4.817 -4.399) 6.658 24.164 ( -5.026 -12.426 4.969) 14.296 ======================= Grid point 152 (59/116) ======================= q-point: ( 0.70 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.103 ( 4.176 6.861 0.061) 8.032 2.191 ( -0.720 -0.302 -0.931) 1.215 2.543 ( 4.326 5.940 0.742) 7.385 2.546 ( 1.990 4.261 0.222) 4.708 2.721 ( 2.458 6.346 0.294) 6.812 2.746 ( 5.053 -1.236 -0.095) 5.203 2.828 ( -7.718 -3.247 2.203) 8.658 2.879 ( -4.033 -4.105 -1.672) 5.993 3.192 ( -4.860 0.690 3.262) 5.894 3.325 ( -9.207 -7.225 3.675) 12.266 3.456 ( 11.138 1.347 -4.073) 11.936 3.539 ( 0.650 0.228 -4.526) 4.578 3.626 ( 3.775 1.420 4.182) 5.810 3.757 ( -1.688 0.191 -2.467) 2.995 4.454 ( -2.279 -0.496 -1.262) 2.651 4.469 ( 1.373 2.750 0.394) 3.098 4.682 ( 2.646 -1.318 0.055) 2.957 4.773 ( -1.849 -2.354 -0.350) 3.014 5.155 ( 0.786 2.794 -0.391) 2.928 5.305 ( -0.291 0.969 1.540) 1.843 5.425 ( 0.188 -2.714 -0.919) 2.872 9.117 ( 0.978 2.729 0.415) 2.928 9.217 ( -4.052 -3.030 -0.075) 5.060 10.084 ( 1.985 3.001 -1.502) 3.899 10.255 ( -1.900 -4.054 3.179) 5.491 10.457 ( 0.620 -0.820 -0.288) 1.067 10.659 ( -0.780 -0.833 -1.132) 1.607 11.583 ( 3.155 4.269 -0.517) 5.333 11.828 ( 1.775 4.554 -0.185) 4.891 11.945 ( -2.047 -5.941 0.785) 6.333 12.743 ( -0.685 -1.073 -0.402) 1.335 22.077 ( 0.514 1.638 -0.175) 1.725 22.128 ( -0.755 -2.039 0.216) 2.185 22.697 ( 2.272 5.479 -0.499) 5.952 22.792 ( 0.502 -2.984 -0.293) 3.040 23.106 ( -0.368 5.786 0.463) 5.816 23.233 ( 0.319 -5.596 0.969) 5.688 23.674 ( 0.279 4.387 -1.898) 4.788 23.990 ( -4.707 -8.112 1.751) 9.541 ======================= Grid point 153 (60/116) ======================= q-point: (-0.20 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.087 ( -7.483 0.817 0.811) 7.571 2.254 ( 5.098 -1.240 -0.790) 5.306 2.497 ( -15.141 -1.926 1.252) 15.314 2.533 ( -7.651 1.415 0.274) 7.786 2.651 ( -2.288 -0.666 3.266) 4.043 2.773 ( -0.541 0.760 -0.746) 1.194 2.821 ( -1.369 4.027 -3.163) 5.301 2.893 ( 3.718 -2.808 1.126) 4.793 3.110 ( -1.634 -4.368 -1.297) 4.841 3.130 ( 0.708 -6.978 1.924) 7.273 3.443 ( -6.994 8.244 -0.312) 10.816 3.662 ( 2.374 2.041 -2.271) 3.868 3.737 ( 2.101 1.459 0.485) 2.604 3.825 ( 12.562 -0.926 1.078) 12.642 4.433 ( 0.086 0.194 0.313) 0.378 4.501 ( 1.371 -1.507 -0.809) 2.192 4.723 ( 2.163 1.126 -1.450) 2.836 4.769 ( 3.812 -0.592 -0.224) 3.864 5.166 ( -2.115 2.033 1.763) 3.423 5.240 ( -4.605 -2.727 -0.725) 5.401 5.463 ( 3.542 1.307 -0.267) 3.785 9.097 ( -3.933 -0.774 0.253) 4.016 9.198 ( 3.285 -1.186 0.672) 3.557 10.115 ( -3.513 3.268 -0.854) 4.873 10.211 ( 2.930 -4.876 0.486) 5.709 10.475 ( 1.746 1.055 -0.243) 2.054 10.655 ( 0.706 1.220 0.183) 1.422 11.605 ( -4.869 0.899 -0.122) 4.953 11.862 ( -3.091 -0.786 -0.934) 3.324 11.888 ( 2.644 0.925 1.164) 3.034 12.766 ( 3.792 0.046 -0.338) 3.807 22.087 ( -0.992 -0.497 -0.160) 1.121 22.117 ( 1.335 0.465 0.168) 1.423 22.727 ( -2.921 -1.088 -0.432) 3.147 22.809 ( 3.486 2.910 -0.576) 4.578 23.013 ( -9.787 -0.428 2.940) 10.228 23.299 ( 8.533 -3.323 -4.342) 10.134 23.756 ( 3.650 5.163 3.225) 7.098 23.857 ( -4.049 -4.169 -0.268) 5.818 ======================= Grid point 154 (61/116) ======================= q-point: (-0.10 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.926 ( -10.570 -1.753 0.710) 10.738 2.154 ( -16.622 -1.903 1.591) 16.806 2.293 ( -7.887 0.316 0.479) 7.908 2.326 ( -13.604 0.393 1.424) 13.684 2.556 ( -10.453 1.389 8.465) 13.523 2.706 ( -2.113 -3.293 -3.437) 5.208 2.852 ( 3.062 -5.175 -3.587) 7.001 2.934 ( 3.473 7.005 0.030) 7.819 3.079 ( 4.311 -5.170 -1.882) 6.990 3.231 ( 7.624 0.779 2.085) 7.942 3.407 ( -7.377 8.046 2.925) 11.301 3.641 ( -3.402 1.494 -1.778) 4.118 3.827 ( 4.779 1.383 0.522) 5.003 3.978 ( 6.117 -1.295 -3.926) 7.383 4.410 ( -3.809 -2.905 -4.164) 6.347 4.486 ( 2.560 -3.229 1.154) 4.279 4.785 ( 3.527 1.624 -1.824) 4.290 4.900 ( 11.686 0.594 -0.237) 11.703 5.113 ( -3.982 -3.940 0.822) 5.662 5.175 ( -0.748 1.378 1.212) 1.982 5.529 ( 1.656 2.036 -0.170) 2.630 9.028 ( -0.765 -4.896 0.075) 4.955 9.247 ( 1.176 2.010 0.492) 2.380 10.035 ( -4.058 -2.585 0.258) 4.818 10.248 ( 1.745 1.480 -1.352) 2.657 10.535 ( 2.786 2.713 -0.175) 3.893 10.713 ( 2.652 3.359 1.588) 4.565 11.459 ( -8.292 -3.801 0.166) 9.123 11.784 ( -6.350 1.832 -1.478) 6.773 11.970 ( 4.264 0.797 3.124) 5.346 12.856 ( 6.744 -0.260 -1.540) 6.922 22.058 ( -0.435 -2.044 -0.526) 2.155 22.160 ( 1.117 3.074 0.531) 3.313 22.627 ( -6.741 -1.060 -1.620) 7.013 22.842 ( -4.524 -0.418 0.073) 4.543 22.926 ( 2.728 -0.521 3.730) 4.650 23.357 ( 4.816 -2.571 -7.704) 9.442 23.755 ( -3.970 -0.613 -2.623) 4.798 23.935 ( 7.807 3.199 9.490) 12.698 ======================= Grid point 160 (62/116) ======================= q-point: ( 0.50 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.749 ( -0.000 9.020 -0.932) 9.068 2.160 ( 0.000 11.741 6.761) 13.548 2.185 ( -0.000 14.144 1.766) 14.254 2.398 ( -0.000 4.107 -7.839) 8.850 2.483 ( -0.000 10.309 1.695) 10.448 2.586 ( -0.000 0.212 -5.868) 5.872 2.872 ( 0.000 -9.489 1.594) 9.622 3.034 ( 0.000 5.038 12.584) 13.555 3.143 ( 0.000 -2.734 1.908) 3.334 3.327 ( -0.000 1.027 -3.627) 3.769 3.525 ( -0.000 -0.815 -4.001) 4.083 3.551 ( 0.000 -0.033 4.195) 4.196 3.615 ( 0.000 5.109 2.559) 5.714 3.957 ( -0.000 -3.834 -6.751) 7.764 4.367 ( -0.000 6.250 -1.824) 6.511 4.621 ( -0.000 -2.633 -8.653) 9.045 4.761 ( 0.000 -8.579 1.283) 8.674 4.919 ( 0.000 -2.829 0.066) 2.830 5.049 ( 0.000 -0.472 0.773) 0.906 5.094 ( 0.000 -0.576 3.660) 3.705 5.537 ( -0.000 -1.182 -0.628) 1.338 9.004 ( -0.000 -1.483 -0.955) 1.764 9.511 ( -0.000 5.266 -3.434) 6.286 9.986 ( 0.000 -0.990 1.024) 1.424 10.371 ( 0.000 2.701 4.468) 5.221 10.446 ( 0.000 -1.509 0.495) 1.588 10.717 ( -0.000 -2.381 -1.271) 2.699 11.344 ( -0.000 1.066 -0.518) 1.185 11.668 ( -0.000 7.505 -0.522) 7.524 11.993 ( 0.000 -8.328 4.788) 9.606 12.907 ( -0.000 -3.523 -2.217) 4.163 22.031 ( -0.000 -0.143 -0.682) 0.696 22.239 ( 0.000 0.075 0.763) 0.767 22.551 ( -0.000 3.922 -3.588) 5.316 22.662 ( -0.000 7.480 2.831) 7.998 22.960 ( 0.000 -7.494 1.082) 7.572 23.388 ( -0.000 0.999 -0.060) 1.001 23.703 ( -0.000 7.126 -5.779) 9.175 24.266 ( 0.000 -14.711 6.428) 16.054 ======================= Grid point 161 (63/116) ======================= q-point: ( 0.60 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.866 ( 5.316 4.770 -0.351) 7.151 2.277 ( -1.180 6.322 -2.042) 6.747 2.332 ( 4.635 7.146 2.922) 9.005 2.441 ( 1.303 5.820 1.288) 6.102 2.563 ( 1.417 -0.721 -3.072) 3.459 2.600 ( 3.453 4.835 0.362) 5.953 2.868 ( 6.512 -7.689 1.757) 10.228 3.049 ( 0.839 -3.737 -5.432) 6.647 3.126 ( -3.897 -0.048 6.787) 7.827 3.308 ( -1.399 0.805 -0.434) 1.671 3.491 ( -0.088 -0.198 -0.800) 0.829 3.564 ( -0.634 -1.028 3.970) 4.149 3.687 ( -1.490 4.778 -0.110) 5.006 3.863 ( -3.624 -0.779 -3.614) 5.177 4.420 ( 1.104 3.960 -1.354) 4.328 4.546 ( -1.142 -1.375 -6.629) 6.866 4.674 ( -3.429 -2.766 3.816) 5.828 4.943 ( -6.738 -1.401 0.823) 6.931 4.973 ( 6.583 -0.939 -0.291) 6.657 5.196 ( 6.088 -0.062 1.511) 6.273 5.504 ( -2.415 -0.963 0.199) 2.607 9.009 ( 2.333 -0.650 -0.983) 2.614 9.479 ( -6.254 2.885 -3.385) 7.674 9.994 ( 1.705 -0.695 -0.055) 1.842 10.372 ( -3.407 0.060 4.077) 5.314 10.451 ( 0.402 -0.388 1.776) 1.862 10.685 ( -0.408 -1.418 -1.828) 2.349 11.393 ( 4.770 0.957 -0.630) 4.906 11.754 ( 1.947 6.604 -0.634) 6.914 11.942 ( 1.001 -7.732 3.446) 8.524 12.848 ( -2.958 -1.046 -1.195) 3.357 22.037 ( 0.954 0.146 -0.472) 1.075 22.212 ( -2.877 -0.159 0.566) 2.936 22.602 ( 2.729 3.688 -2.161) 5.071 22.760 ( 1.496 4.489 2.393) 5.302 22.911 ( 3.309 -6.325 -0.225) 7.142 23.385 ( -2.081 0.975 1.584) 2.791 23.729 ( -2.184 7.376 -5.931) 9.713 24.129 ( -2.651 -12.108 3.994) 13.022 ======================= Grid point 162 (64/116) ======================= q-point: (-0.30 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.005 ( 7.522 0.033 -0.085) 7.522 2.278 ( -3.809 4.155 -0.483) 5.658 2.471 ( 6.397 -2.681 0.715) 6.973 2.506 ( 5.296 -3.408 1.628) 6.505 2.620 ( 4.218 2.305 -0.921) 4.894 2.701 ( 4.013 0.942 0.269) 4.131 2.853 ( 0.407 -4.591 -4.926) 6.746 2.981 ( -7.545 0.277 1.279) 7.658 3.172 ( 11.317 -2.356 -3.223) 12.001 3.250 ( -2.280 -2.466 1.140) 3.546 3.442 ( -8.963 -6.585 -0.746) 11.147 3.564 ( 1.036 5.056 1.140) 5.285 3.652 ( 0.256 -0.753 1.334) 1.553 3.846 ( -4.975 8.561 2.277) 10.160 4.465 ( 0.967 0.844 -1.000) 1.627 4.492 ( -2.281 1.530 -2.280) 3.570 4.654 ( 0.146 0.615 3.601) 3.656 4.827 ( -5.309 -0.083 -0.068) 5.310 5.092 ( 6.632 0.552 -0.541) 6.677 5.275 ( 3.472 -2.784 -0.541) 4.483 5.451 ( -3.288 1.255 1.194) 3.717 9.058 ( 3.917 -0.169 -0.738) 3.989 9.343 ( -8.879 0.287 -2.129) 9.135 10.035 ( 3.627 0.095 -0.571) 3.673 10.309 ( -4.775 -1.523 2.861) 5.771 10.454 ( -0.298 0.128 1.078) 1.126 10.661 ( -0.513 0.133 -1.623) 1.708 11.507 ( 6.939 0.403 0.034) 6.951 11.849 ( 2.225 4.924 -0.945) 5.485 11.896 ( 0.284 -6.433 1.810) 6.689 12.785 ( -3.656 1.272 -0.036) 3.871 22.061 ( 1.604 0.452 -0.221) 1.681 22.157 ( -2.997 -0.514 0.240) 3.050 22.685 ( 3.401 2.843 -0.593) 4.473 22.777 ( -0.642 -1.858 1.433) 2.432 22.983 ( 8.331 -1.609 -1.577) 8.630 23.336 ( -6.158 0.825 2.752) 6.796 23.729 ( -2.155 5.562 -3.210) 6.773 23.989 ( -3.221 -6.800 0.208) 7.527 ======================= Grid point 163 (65/116) ======================= q-point: (-0.20 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.097 ( 4.759 -5.872 -0.542) 7.578 2.236 ( -3.601 2.648 1.666) 4.770 2.514 ( 5.236 -11.517 -1.065) 12.696 2.539 ( 4.737 -5.923 -0.472) 7.599 2.705 ( -3.376 3.316 -3.299) 5.768 2.758 ( 3.049 -1.860 1.414) 3.841 2.787 ( 3.124 -2.394 0.899) 4.037 2.902 ( -3.578 1.707 -0.138) 3.967 3.103 ( -5.180 -4.920 -0.970) 7.209 3.178 ( -9.469 -1.965 -4.746) 10.773 3.451 ( 15.806 -0.105 -1.345) 15.863 3.622 ( -0.782 3.324 2.586) 4.283 3.713 ( 2.002 3.515 4.623) 6.143 3.833 ( -5.888 6.859 0.486) 9.053 4.446 ( -1.012 0.639 -1.378) 1.825 4.483 ( -1.176 -1.493 1.491) 2.415 4.702 ( 1.635 2.410 1.419) 3.240 4.769 ( -2.438 2.615 -0.298) 3.588 5.181 ( 2.587 -0.018 0.331) 2.608 5.242 ( -1.037 -5.484 -1.578) 5.800 5.456 ( 0.208 3.829 0.813) 3.920 9.102 ( 0.753 -3.596 -0.483) 3.706 9.208 ( -3.973 2.259 -0.755) 4.632 10.109 ( 4.617 -1.049 -0.049) 4.735 10.210 ( -5.239 -0.714 0.509) 5.312 10.470 ( 0.739 1.984 0.482) 2.171 10.662 ( 0.281 1.894 -0.705) 2.040 11.601 ( 3.534 -3.516 0.458) 5.006 11.847 ( 0.987 -3.942 1.089) 4.207 11.908 ( -0.615 4.064 -1.564) 4.398 12.759 ( -1.505 2.660 0.573) 3.109 22.084 ( -0.008 -1.437 0.268) 1.462 22.120 ( -0.207 1.730 -0.293) 1.767 22.718 ( 0.633 -4.216 0.770) 4.333 22.801 ( 1.976 4.580 0.398) 5.004 23.061 ( 3.697 -7.794 -3.410) 9.276 23.239 ( -5.922 3.976 3.304) 7.861 23.761 ( 1.692 2.352 2.567) 3.871 23.889 ( -3.310 0.192 -4.493) 5.584 ======================= Grid point 164 (66/116) ======================= q-point: (-0.10 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.018 ( -4.113 -7.124 -0.000) 8.226 2.249 ( 0.582 1.008 0.000) 1.164 2.415 ( -4.377 -7.581 0.000) 8.754 2.543 ( -1.336 -2.314 -0.000) 2.672 2.592 ( -1.999 -3.463 -0.000) 3.999 2.675 ( -7.369 -12.763 -0.000) 14.738 2.817 ( 0.047 0.081 -0.000) 0.094 2.946 ( 5.555 9.622 0.000) 11.110 3.015 ( -1.804 -3.125 -0.000) 3.608 3.141 ( 3.021 5.232 -0.000) 6.041 3.618 ( -0.064 -0.112 0.000) 0.129 3.649 ( 0.859 1.487 -0.000) 1.718 3.798 ( 2.680 4.642 0.000) 5.361 3.836 ( 1.672 2.895 -0.000) 3.343 4.412 ( -3.094 -5.359 -0.000) 6.188 4.447 ( 0.363 0.629 -0.000) 0.726 4.759 ( 1.658 2.873 0.000) 3.317 4.800 ( 2.273 3.937 -0.000) 4.546 5.134 ( -3.350 -5.803 -0.000) 6.700 5.193 ( -0.624 -1.080 0.000) 1.248 5.522 ( 2.116 3.666 0.000) 4.233 9.008 ( -3.017 -5.226 -0.000) 6.034 9.248 ( 1.980 3.429 0.000) 3.960 10.060 ( -3.239 -5.610 -0.000) 6.477 10.232 ( 2.458 4.258 -0.000) 4.916 10.524 ( 1.970 3.412 -0.000) 3.940 10.712 ( 2.362 4.091 -0.000) 4.724 11.520 ( -4.705 -8.150 0.000) 9.411 11.887 ( -0.644 -1.115 -0.000) 1.288 11.901 ( 1.864 3.229 0.000) 3.729 12.788 ( 1.409 2.440 -0.000) 2.818 22.050 ( -1.040 -1.802 0.000) 2.081 22.168 ( 1.815 3.143 -0.000) 3.630 22.681 ( -1.324 -2.293 -0.000) 2.648 22.880 ( 0.820 1.420 -0.000) 1.640 22.918 ( -4.164 -7.211 0.000) 8.327 23.269 ( 1.464 2.536 -0.000) 2.929 23.788 ( -1.477 -2.558 -0.000) 2.954 23.897 ( 3.583 6.205 -0.000) 7.165 ======================= Grid point 172 (67/116) ======================= q-point: (-0.40 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.842 ( -0.000 0.408 -0.228) 0.467 2.282 ( 0.000 -4.287 0.959) 4.392 2.363 ( -0.000 1.335 -3.176) 3.445 2.480 ( -0.000 5.485 -0.660) 5.525 2.523 ( 0.000 -2.789 -0.326) 2.808 2.613 ( 0.000 1.105 1.707) 2.033 2.775 ( 0.000 0.078 5.348) 5.349 2.932 ( -0.000 -8.206 -10.767) 13.537 3.192 ( 0.000 -2.033 5.395) 5.765 3.313 ( -0.000 1.149 -3.434) 3.621 3.528 ( 0.000 4.466 2.596) 5.166 3.570 ( 0.000 -1.768 3.148) 3.611 3.659 ( -0.000 -5.751 -5.028) 7.639 3.957 ( 0.000 8.159 3.705) 8.961 4.429 ( -0.000 1.271 -1.500) 1.966 4.536 ( -0.000 3.885 -4.021) 5.591 4.737 ( 0.000 0.970 3.816) 3.938 4.888 ( 0.000 -0.351 0.407) 0.537 5.051 ( 0.000 -0.165 1.249) 1.260 5.073 ( 0.000 -3.035 -0.968) 3.186 5.532 ( 0.000 0.737 1.222) 1.427 8.981 ( -0.000 0.351 -1.415) 1.458 9.538 ( -0.000 1.208 -4.986) 5.130 9.968 ( -0.000 -0.885 -0.686) 1.120 10.436 ( 0.000 -1.380 5.829) 5.990 10.448 ( 0.000 0.244 2.556) 2.568 10.669 ( -0.000 -0.220 -2.358) 2.368 11.346 ( -0.000 0.044 -1.381) 1.382 11.786 ( -0.000 3.221 -0.523) 3.263 11.878 ( 0.000 -5.368 3.071) 6.185 12.873 ( -0.000 1.477 -0.391) 1.527 22.029 ( -0.000 0.389 -0.329) 0.510 22.242 ( 0.000 -0.396 0.545) 0.673 22.596 ( -0.000 2.699 -0.957) 2.864 22.784 ( 0.000 -5.911 1.125) 6.017 22.828 ( -0.000 2.858 -0.490) 2.900 23.422 ( 0.000 0.907 3.324) 3.445 23.801 ( -0.000 8.112 -6.816) 10.595 24.054 ( 0.000 -9.762 1.961) 9.957 ======================= Grid point 173 (68/116) ======================= q-point: (-0.30 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.872 ( 5.204 -3.894 -0.053) 6.500 2.255 ( 6.294 -10.456 -0.470) 12.213 2.325 ( 3.214 -10.382 -2.672) 11.191 2.416 ( -4.796 -3.688 1.804) 6.314 2.610 ( 2.234 4.244 -4.168) 6.355 2.618 ( 4.537 -1.739 -2.294) 5.373 2.774 ( -0.918 -4.092 -2.822) 5.054 2.946 ( 8.905 1.835 3.420) 9.714 3.139 ( -4.955 -1.727 1.996) 5.614 3.283 ( -2.793 0.196 -2.140) 3.524 3.478 ( -4.788 -6.325 -5.923) 9.900 3.573 ( 1.796 -1.208 1.105) 2.430 3.673 ( 0.836 5.891 7.136) 9.291 4.016 ( -2.991 5.810 2.346) 6.942 4.434 ( 1.407 -1.626 -1.154) 2.440 4.566 ( -2.664 7.332 -2.222) 8.111 4.727 ( -3.251 3.267 4.711) 6.590 4.936 ( -5.514 1.088 0.361) 5.631 4.977 ( 6.250 1.464 -0.161) 6.421 5.154 ( 5.505 -3.022 -0.808) 6.332 5.527 ( -2.325 1.454 1.460) 3.107 9.003 ( 2.251 1.148 -1.408) 2.893 9.460 ( -5.992 -1.003 -4.401) 7.502 9.975 ( 2.290 -0.607 -0.955) 2.555 10.391 ( -4.326 -2.515 4.194) 6.529 10.472 ( -0.143 0.435 2.817) 2.854 10.663 ( -0.008 1.332 -2.159) 2.537 11.387 ( 5.343 -0.912 -1.036) 5.519 11.790 ( 1.979 -6.325 1.539) 6.803 11.887 ( 0.929 3.507 -0.093) 3.629 12.874 ( -2.924 3.870 0.488) 4.875 22.042 ( 1.017 0.654 -0.180) 1.223 22.208 ( -3.056 -0.704 0.303) 3.150 22.651 ( 2.815 1.564 0.836) 3.327 22.720 ( 2.545 -7.906 -0.589) 8.326 22.892 ( 1.980 3.940 -0.712) 4.467 23.433 ( -2.193 0.868 4.949) 5.482 23.811 ( -2.883 3.152 -3.091) 5.273 23.973 ( -1.343 -1.834 -3.967) 4.572 ======================= Grid point 174 (69/116) ======================= q-point: (-0.20 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.924 ( 6.765 -7.639 -0.361) 10.210 2.241 ( 5.010 -18.537 -1.421) 19.255 2.286 ( 10.633 -14.125 -1.019) 17.709 2.326 ( -2.065 -0.750 -0.391) 2.232 2.573 ( 6.095 -9.267 -10.944) 15.582 2.730 ( 0.702 -1.583 0.895) 1.949 2.755 ( 2.844 5.152 4.297) 7.287 3.023 ( -7.058 -1.650 0.716) 7.283 3.148 ( 4.123 4.858 -1.320) 6.507 3.232 ( 0.929 -2.739 2.418) 3.770 3.300 ( -5.705 0.404 -4.364) 7.194 3.603 ( 2.957 -2.258 1.631) 4.063 3.777 ( -0.306 6.568 4.537) 7.989 4.003 ( -4.426 3.709 1.519) 5.972 4.430 ( 1.167 -3.115 -0.185) 3.332 4.550 ( -4.293 2.828 0.525) 5.167 4.749 ( -1.654 4.615 3.060) 5.779 4.892 ( -5.273 8.222 0.949) 9.814 5.103 ( 5.976 1.394 -1.333) 6.280 5.172 ( 1.572 -5.076 -0.565) 5.343 5.511 ( -1.734 2.189 0.759) 2.894 9.054 ( 2.370 0.660 -0.932) 2.631 9.305 ( -6.873 -1.609 -2.526) 7.497 10.023 ( 3.928 -1.084 -0.346) 4.089 10.291 ( -4.960 -2.437 1.807) 5.815 10.491 ( -0.056 2.383 1.506) 2.820 10.675 ( 0.151 2.638 -1.593) 3.085 11.467 ( 5.966 -4.461 -0.378) 7.459 11.768 ( 2.597 -6.486 1.727) 7.196 11.944 ( 0.778 4.462 -1.866) 4.899 12.861 ( -4.201 5.533 1.279) 7.064 22.070 ( 1.126 0.431 0.221) 1.226 22.148 ( -2.328 -0.329 -0.241) 2.363 22.652 ( 1.530 -6.317 0.946) 6.568 22.774 ( 5.393 0.053 1.110) 5.506 22.945 ( 1.582 1.084 -3.180) 3.713 23.401 ( -5.714 1.262 6.495) 8.743 23.766 ( -0.965 -2.710 2.282) 3.672 23.937 ( -2.234 6.721 -10.006) 12.260 ======================= Grid point 183 (70/116) ======================= q-point: (-0.30 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( 0.000 -8.073 -0.280) 8.078 2.046 ( 0.000 -16.255 -1.054) 16.289 2.126 ( 0.000 -19.317 -3.495) 19.631 2.406 ( -0.000 -9.877 -6.193) 11.658 2.497 ( -0.000 -7.423 -12.821) 14.815 2.606 ( 0.000 5.639 4.224) 7.045 2.795 ( 0.000 -0.308 6.042) 6.050 2.919 ( 0.000 5.308 6.523) 8.410 3.160 ( 0.000 -3.790 1.139) 3.957 3.313 ( -0.000 2.679 -4.577) 5.304 3.447 ( -0.000 -1.968 -5.255) 5.612 3.537 ( 0.000 -4.393 3.136) 5.397 3.770 ( 0.000 7.386 7.814) 10.752 4.084 ( 0.000 1.570 1.817) 2.401 4.381 ( 0.000 -4.782 -1.330) 4.963 4.669 ( -0.000 8.368 -5.609) 10.074 4.830 ( 0.000 3.265 5.034) 6.000 4.912 ( -0.000 2.249 0.060) 2.250 5.047 ( -0.000 5.554 0.646) 5.591 5.074 ( 0.000 1.120 2.100) 2.380 5.562 ( 0.000 0.283 0.893) 0.937 8.992 ( -0.000 2.214 -1.688) 2.784 9.473 ( -0.000 -2.479 -5.326) 5.875 9.941 ( -0.000 -0.639 -1.518) 1.647 10.413 ( 0.000 -5.862 4.546) 7.418 10.498 ( 0.000 1.665 3.576) 3.945 10.673 ( -0.000 2.531 -1.650) 3.022 11.321 ( -0.000 -0.816 -1.943) 2.108 11.706 ( 0.000 -8.003 1.907) 8.227 11.913 ( -0.000 3.834 -0.530) 3.871 12.954 ( -0.000 6.103 0.918) 6.171 22.039 ( -0.000 0.882 -0.200) 0.905 22.234 ( 0.000 -0.845 0.496) 0.979 22.594 ( 0.000 -8.454 -2.060) 8.701 22.643 ( 0.000 0.227 2.406) 2.416 22.924 ( -0.000 4.563 -0.464) 4.587 23.486 ( 0.000 0.771 6.699) 6.743 23.825 ( 0.000 -4.998 1.993) 5.381 23.981 ( -0.000 8.506 -12.315) 14.967 ======================= Grid point 184 (71/116) ======================= q-point: (-0.20 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.713 ( 5.789 -11.765 -1.006) 13.151 1.928 ( 4.608 -22.155 -5.569) 23.304 1.944 ( 7.880 -17.392 -0.489) 19.100 2.256 ( 3.101 -15.130 -9.252) 18.004 2.353 ( -0.557 -9.618 -5.479) 11.083 2.714 ( 2.373 3.160 3.991) 5.616 2.818 ( -0.992 4.231 6.091) 7.482 3.042 ( 2.857 0.599 2.744) 4.006 3.114 ( 0.469 -0.696 1.648) 1.850 3.293 ( -3.345 3.544 -3.948) 6.272 3.382 ( -4.440 0.706 -2.114) 4.968 3.526 ( 2.551 -4.231 2.475) 5.526 3.876 ( -0.437 6.763 5.319) 8.615 4.078 ( -2.130 -0.147 2.370) 3.190 4.344 ( 2.936 -6.480 0.241) 7.118 4.649 ( -4.376 2.997 -5.890) 7.926 4.848 ( -2.408 3.343 3.285) 5.269 5.006 ( 5.918 2.586 -1.338) 6.595 5.104 ( -1.429 7.845 2.889) 8.481 5.131 ( -2.108 6.806 2.460) 7.538 5.549 ( -1.188 -0.371 -0.081) 1.247 9.028 ( 1.866 2.607 -1.353) 3.480 9.371 ( -4.974 -3.436 -4.136) 7.325 9.952 ( 2.578 -0.729 -1.182) 2.929 10.333 ( -3.136 -6.218 2.791) 7.502 10.530 ( -0.341 2.399 2.822) 3.719 10.697 ( -0.023 3.412 -1.184) 3.611 11.337 ( 3.630 -2.600 -1.529) 4.719 11.655 ( 2.531 -8.047 1.787) 8.623 11.958 ( 1.108 3.651 -1.422) 4.072 13.001 ( -3.076 7.564 1.325) 8.272 22.058 ( 1.074 1.079 -0.114) 1.527 22.190 ( -3.293 -1.245 0.202) 3.526 22.532 ( 3.168 -8.597 -1.318) 9.256 22.693 ( 3.689 0.076 3.174) 4.867 22.962 ( -0.344 4.028 -1.497) 4.311 23.513 ( -2.020 0.652 8.680) 8.935 23.760 ( -1.749 -5.682 3.073) 6.692 24.001 ( -1.625 10.853 -15.720) 19.171 ======================= Grid point 194 (72/116) ======================= q-point: (-0.20 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( 0.000 -17.740 -2.458) 17.909 1.615 ( 0.000 -24.403 -8.376) 25.800 1.705 ( 0.000 -16.271 1.216) 16.316 1.975 ( -0.000 -22.314 -11.197) 24.966 2.234 ( 0.000 -12.750 -1.646) 12.856 2.761 ( 0.000 5.397 3.995) 6.714 2.893 ( 0.000 3.737 4.092) 5.542 3.056 ( 0.000 1.782 7.002) 7.225 3.090 ( 0.000 -2.570 -0.651) 2.651 3.334 ( -0.000 4.048 -6.007) 7.243 3.444 ( -0.000 2.839 -0.162) 2.843 3.461 ( 0.000 -5.780 3.576) 6.796 3.971 ( 0.000 5.956 5.549) 8.140 4.113 ( 0.000 -0.932 5.680) 5.755 4.226 ( 0.000 -8.706 -1.551) 8.843 4.682 ( -0.000 3.064 -11.258) 11.668 4.915 ( 0.000 1.978 3.393) 3.928 4.967 ( -0.000 3.099 -0.283) 3.112 5.138 ( 0.000 2.805 2.776) 3.946 5.343 ( -0.000 15.762 5.154) 16.583 5.546 ( -0.000 -0.767 -1.628) 1.800 9.033 ( -0.000 3.222 -1.652) 3.621 9.358 ( -0.000 -3.954 -4.456) 5.957 9.916 ( -0.000 -0.511 -1.462) 1.548 10.295 ( 0.000 -8.542 2.154) 8.810 10.572 ( 0.000 2.217 3.352) 4.019 10.732 ( -0.000 3.838 0.208) 3.844 11.282 ( -0.000 -1.125 -1.918) 2.224 11.553 ( 0.000 -8.753 1.572) 8.893 11.973 ( -0.000 2.864 -1.399) 3.188 13.117 ( -0.000 8.565 1.143) 8.641 22.058 ( -0.000 1.187 -0.429) 1.262 22.219 ( 0.000 -1.141 0.719) 1.349 22.399 ( 0.000 -8.216 -2.113) 8.483 22.678 ( 0.000 -0.480 4.731) 4.755 23.002 ( -0.000 4.066 -1.102) 4.213 23.572 ( 0.000 0.007 8.656) 8.656 23.741 ( 0.000 -5.314 6.154) 8.130 24.047 ( -0.000 11.736 -20.542) 23.658 ======================= Grid point 229 (73/116) ======================= q-point: ( 0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.717 ( 0.000 -0.000 24.667) 24.667 0.717 ( 0.000 -0.000 24.667) 24.667 0.901 ( -0.000 0.000 -11.412) 11.412 0.901 ( -0.000 0.000 -11.412) 11.412 1.472 ( 0.000 -0.000 49.169) 49.169 2.658 ( -0.000 0.000 -18.021) 18.021 2.658 ( -0.000 0.000 -18.021) 18.021 3.096 ( -0.000 0.000 -1.215) 1.215 3.170 ( 0.000 -0.000 8.422) 8.422 3.247 ( 0.000 -0.000 3.177) 3.177 3.247 ( 0.000 -0.000 3.177) 3.177 3.635 ( 0.000 -0.000 3.175) 3.175 3.635 ( 0.000 -0.000 3.175) 3.175 3.791 ( 0.000 -0.000 0.940) 0.940 4.192 ( -0.000 0.000 -2.314) 2.314 4.955 ( -0.000 0.000 -2.861) 2.861 5.067 ( -0.000 0.000 -0.239) 0.239 5.067 ( -0.000 0.000 -0.239) 0.239 5.250 ( -0.000 0.000 -3.447) 3.447 5.250 ( -0.000 0.000 -3.447) 3.447 5.969 ( -0.000 0.000 -9.338) 9.338 9.139 ( -0.000 0.000 -0.590) 0.590 9.139 ( -0.000 0.000 -0.590) 0.590 9.951 ( 0.000 -0.000 4.174) 4.174 9.951 ( 0.000 -0.000 4.174) 4.174 10.668 ( -0.000 0.000 -1.358) 1.358 10.668 ( -0.000 0.000 -1.358) 1.358 11.222 ( 0.000 0.000 -0.070) 0.070 11.222 ( -0.000 0.000 -0.070) 0.070 12.750 ( 0.000 -0.000 6.100) 6.100 13.424 ( -0.000 0.000 -3.285) 3.285 22.070 ( -0.000 0.000 -1.749) 1.749 22.070 ( -0.000 0.000 -1.749) 1.749 22.210 ( 0.000 -0.000 1.688) 1.688 22.210 ( 0.000 -0.000 1.688) 1.688 23.164 ( 0.000 -0.000 1.734) 1.734 23.343 ( 0.000 -0.000 2.952) 2.952 23.532 ( -0.000 0.000 -1.271) 1.271 25.394 ( -0.000 0.000 -0.172) 0.172 ======================= Grid point 230 (74/116) ======================= q-point: ( 0.30 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.937 ( 9.875 5.702 -2.623) 11.701 0.991 ( 13.006 7.509 20.279) 25.235 1.018 ( 12.215 7.052 11.680) 18.313 1.297 ( 23.602 13.627 -15.097) 31.156 1.799 ( 8.477 4.894 42.184) 43.305 2.556 ( -0.579 -0.334 -17.028) 17.041 2.688 ( 6.760 3.903 -24.158) 25.388 3.131 ( 3.016 1.741 -1.795) 3.918 3.185 ( -2.205 -1.273 8.250) 8.634 3.266 ( 2.063 1.191 -0.942) 2.562 3.294 ( 1.139 0.658 1.040) 1.677 3.605 ( -2.339 -1.350 4.476) 5.227 3.720 ( 4.945 2.855 1.125) 5.820 3.857 ( 4.362 2.518 0.134) 5.038 4.157 ( -1.922 -1.110 -3.471) 4.120 4.918 ( -1.931 -1.115 -3.790) 4.397 4.986 ( -6.678 -3.856 3.668) 8.539 5.047 ( -1.193 -0.689 -0.330) 1.417 5.237 ( -0.497 -0.287 -3.139) 3.192 5.263 ( 3.323 1.918 -3.851) 5.436 5.887 ( -3.557 -2.054 -9.067) 9.954 9.104 ( -2.084 -1.203 -0.525) 2.463 9.173 ( 1.939 1.120 -0.491) 2.293 9.967 ( -0.260 -0.150 4.049) 4.060 10.015 ( 3.603 2.080 4.086) 5.832 10.673 ( 0.031 0.018 -1.430) 1.431 10.698 ( 3.436 1.984 -3.696) 5.422 11.213 ( -0.065 -0.038 0.018) 0.077 11.280 ( 4.228 2.441 -0.253) 4.888 12.589 ( -12.343 -7.126 12.665) 19.067 13.355 ( -4.406 -2.544 -3.989) 6.464 22.045 ( -0.754 -0.436 -1.341) 1.599 22.133 ( 3.110 1.796 -0.397) 3.613 22.237 ( 0.831 0.480 1.277) 1.597 22.330 ( 9.843 5.683 -5.676) 12.704 23.175 ( -0.053 -0.031 2.490) 2.490 23.349 ( -0.842 -0.486 0.462) 1.077 23.535 ( 0.833 0.481 -1.588) 1.856 25.147 ( -17.111 -9.879 10.139) 22.208 ======================= Grid point 231 (75/116) ======================= q-point: ( 0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( 14.202 8.199 -5.141) 17.186 1.413 ( 15.488 8.942 12.003) 21.538 1.432 ( 16.825 9.714 15.063) 24.583 1.728 ( 18.445 10.649 -5.406) 21.973 2.192 ( 9.696 5.598 27.004) 29.233 2.484 ( 0.867 0.501 -14.368) 14.402 2.734 ( 7.641 4.412 -17.174) 19.308 3.134 ( -5.505 -3.178 7.423) 9.773 3.175 ( 0.302 0.174 -2.065) 2.094 3.309 ( 2.391 1.380 -3.221) 4.242 3.315 ( 1.408 0.813 -2.213) 2.746 3.594 ( -0.531 -0.306 5.569) 5.603 3.823 ( 3.329 1.922 -1.799) 4.244 3.973 ( 5.580 3.222 -0.458) 6.460 4.072 ( -3.805 -2.197 -4.132) 6.031 4.801 ( -6.867 -3.964 -1.919) 8.158 4.872 ( -3.747 -2.163 1.779) 4.678 5.012 ( -1.634 -0.944 -0.290) 1.909 5.203 ( -1.214 -0.701 -2.534) 2.896 5.342 ( 4.297 2.481 -3.773) 6.234 5.717 ( -7.809 -4.508 -5.176) 10.397 9.043 ( -2.961 -1.709 -0.039) 3.419 9.220 ( 2.257 1.303 -0.078) 2.607 9.975 ( -0.525 -0.303 3.402) 3.455 10.143 ( 5.348 3.087 4.174) 7.453 10.656 ( -0.803 -0.464 -2.070) 2.268 10.757 ( 2.935 1.695 -3.773) 5.072 11.219 ( 0.452 0.261 0.652) 0.835 11.400 ( 6.113 3.529 -0.830) 7.107 12.401 ( -8.728 -5.039 11.447) 15.251 13.194 ( -7.374 -4.258 -4.677) 9.715 22.024 ( -0.583 -0.336 -0.829) 1.068 22.216 ( 4.160 2.402 0.681) 4.851 22.259 ( 0.627 0.362 0.709) 1.013 22.522 ( 8.860 5.115 -7.051) 12.425 23.180 ( -1.212 -0.700 4.790) 4.991 23.303 ( -2.273 -1.313 -2.833) 3.862 23.552 ( 1.405 0.811 -2.421) 2.914 24.819 ( -15.510 -8.954 12.511) 21.846 ======================= Grid point 232 (76/116) ======================= q-point: ( 0.50 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.505 ( 12.708 7.337 -2.165) 14.832 1.817 ( 15.106 8.722 7.360) 18.933 1.871 ( 14.980 8.649 11.679) 20.872 2.082 ( 12.197 7.042 -0.706) 14.102 2.457 ( 8.375 4.835 4.464) 10.652 2.464 ( 2.375 1.371 -10.387) 10.743 2.958 ( 13.389 7.730 1.635) 15.547 3.001 ( -8.268 -4.774 7.395) 12.076 3.104 ( -5.112 -2.952 -1.592) 6.114 3.340 ( 1.489 0.859 -4.416) 4.739 3.347 ( 2.057 1.188 -1.880) 3.030 3.627 ( 1.232 0.711 3.303) 3.596 3.842 ( -0.790 -0.456 -2.969) 3.106 3.949 ( -4.604 -2.658 -5.064) 7.343 4.106 ( 5.656 3.266 0.889) 6.592 4.631 ( -6.683 -3.859 -0.976) 7.779 4.810 ( -1.654 -0.955 -1.223) 2.267 4.974 ( -1.355 -0.783 -0.472) 1.635 5.161 ( -1.395 -0.805 -1.898) 2.489 5.356 ( -4.347 -2.510 -3.603) 6.179 5.550 ( -2.525 -1.458 -0.258) 2.927 8.975 ( -2.847 -1.644 0.730) 3.367 9.277 ( 2.566 1.481 0.775) 3.062 9.974 ( -0.803 -0.464 2.451) 2.621 10.280 ( 4.284 2.473 4.421) 6.634 10.620 ( -1.129 -0.652 -2.996) 3.267 10.797 ( 2.067 1.193 -3.472) 4.214 11.238 ( 0.694 0.400 1.550) 1.745 11.546 ( 6.698 3.867 -1.364) 7.854 12.274 ( -6.478 -3.740 6.330) 9.799 12.997 ( -7.102 -4.100 -3.989) 9.119 22.011 ( -0.285 -0.164 -0.331) 0.466 22.271 ( 0.296 0.171 0.122) 0.363 22.330 ( 5.337 3.082 0.572) 6.190 22.672 ( 6.404 3.697 -4.391) 8.600 23.123 ( -5.734 -3.310 2.555) 7.097 23.272 ( 1.064 0.614 0.267) 1.257 23.577 ( 1.862 1.075 -3.500) 4.108 24.541 ( -13.153 -7.594 9.199) 17.756 ======================= Grid point 233 (77/116) ======================= q-point: ( 0.60 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.739 ( 7.544 4.355 -0.361) 8.718 2.164 ( 12.359 7.135 3.190) 14.623 2.193 ( 7.923 4.575 4.702) 10.287 2.280 ( 6.423 3.708 3.621) 8.253 2.476 ( 0.843 0.486 -5.568) 5.653 2.688 ( 8.886 5.130 -2.506) 10.562 2.793 ( -10.385 -5.996 8.885) 14.925 2.965 ( -4.814 -2.779 -1.739) 5.824 3.279 ( 8.821 5.093 3.081) 10.642 3.331 ( -0.361 -0.208 -4.886) 4.904 3.382 ( 0.337 0.194 3.305) 3.328 3.661 ( 0.665 0.384 -0.059) 0.770 3.774 ( -2.383 -1.376 -4.898) 5.618 3.855 ( 0.388 0.224 -4.102) 4.126 4.236 ( 4.562 2.634 3.417) 6.279 4.502 ( -3.619 -2.089 -1.080) 4.316 4.789 ( 0.523 0.302 -2.033) 2.121 4.947 ( -0.768 -0.444 -1.182) 1.478 5.123 ( -1.177 -0.680 -1.554) 2.064 5.165 ( -8.880 -5.127 1.586) 10.376 5.561 ( 1.640 0.947 -1.461) 2.392 8.927 ( -1.576 -0.910 1.567) 2.401 9.341 ( 2.099 1.212 2.331) 3.362 9.962 ( -1.006 -0.581 1.475) 1.878 10.371 ( 1.749 1.010 4.989) 5.383 10.581 ( -0.744 -0.430 -3.770) 3.867 10.816 ( 1.084 0.626 -5.213) 5.361 11.263 ( 0.540 0.312 2.306) 2.389 11.688 ( 6.039 3.487 -1.652) 7.166 12.136 ( -7.158 -4.133 1.008) 8.326 12.863 ( -2.796 -1.614 -1.350) 3.499 22.008 ( 0.081 0.047 0.103) 0.139 22.273 ( -0.091 -0.052 -0.399) 0.413 22.461 ( 5.679 3.279 0.035) 6.557 22.772 ( 2.913 1.682 -0.761) 3.449 22.975 ( -6.408 -3.700 -1.192) 7.495 23.341 ( 3.594 2.075 5.193) 6.648 23.604 ( 2.084 1.203 -4.476) 5.082 24.294 ( -11.066 -6.389 4.843) 13.665 ======================= Grid point 234 (78/116) ======================= q-point: (-0.30 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.834 ( 0.428 0.247 0.265) 0.561 2.280 ( -1.609 -0.929 2.239) 2.909 2.323 ( -5.870 -3.389 -1.638) 6.973 2.401 ( -2.045 -1.180 8.490) 8.812 2.466 ( 5.894 3.403 0.248) 6.810 2.534 ( -7.990 -4.613 1.614) 9.366 2.872 ( 3.155 1.821 -1.444) 3.919 2.937 ( 3.491 2.016 -2.776) 4.895 3.286 ( -1.393 -0.804 -3.826) 4.150 3.303 ( -4.069 -2.349 -3.383) 5.790 3.370 ( -3.229 -1.864 7.775) 8.622 3.649 ( -1.368 -0.790 -1.876) 2.453 3.750 ( 3.228 1.863 -5.378) 6.543 3.990 ( 9.093 5.250 -0.453) 10.509 4.335 ( 1.904 1.099 4.838) 5.314 4.474 ( 1.601 0.925 1.268) 2.242 4.816 ( 2.705 1.562 -1.977) 3.696 4.924 ( -0.493 -0.285 -1.901) 1.984 5.019 ( -3.889 -2.246 2.755) 5.269 5.098 ( -0.119 -0.069 -1.601) 1.607 5.581 ( 0.639 0.369 -1.760) 1.909 8.922 ( 0.419 0.242 2.162) 2.215 9.388 ( 0.476 0.275 4.089) 4.126 9.943 ( -1.018 -0.588 0.808) 1.427 10.418 ( 0.386 0.223 5.456) 5.474 10.555 ( 0.172 0.100 -4.099) 4.104 10.783 ( -1.459 -0.842 -7.663) 7.846 11.282 ( 0.074 0.042 2.647) 2.649 11.795 ( 3.021 1.744 -1.402) 3.760 11.967 ( -6.183 -3.570 -2.068) 7.433 12.859 ( 2.340 1.351 0.444) 2.738 22.016 ( 0.468 0.270 0.429) 0.690 22.264 ( -0.478 -0.276 -0.778) 0.953 22.584 ( 4.847 2.798 -0.685) 5.638 22.737 ( -6.859 -3.960 3.146) 8.522 22.894 ( 1.161 0.670 -3.680) 3.917 23.482 ( 5.733 3.310 6.695) 9.415 23.632 ( 2.233 1.289 -3.219) 4.124 24.077 ( -8.735 -5.043 0.770) 10.115 ======================= Grid point 235 (79/116) ======================= q-point: (-0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( -7.382 -4.262 0.475) 8.538 2.041 ( -18.198 -10.506 7.982) 22.478 2.046 ( -14.425 -8.328 -0.815) 16.677 2.300 ( -9.646 -5.569 4.374) 11.967 2.419 ( -6.246 -3.606 1.962) 7.475 2.634 ( 6.784 3.917 -0.155) 7.835 2.868 ( 0.015 0.009 -3.506) 3.506 3.030 ( 4.756 2.746 -7.488) 9.285 3.175 ( -4.982 -2.877 -0.964) 5.833 3.258 ( 0.323 0.187 1.984) 2.019 3.379 ( 1.639 0.947 4.047) 4.468 3.580 ( -3.624 -2.093 -2.687) 4.973 3.850 ( 6.201 3.580 -3.223) 7.852 4.123 ( 2.776 1.603 -3.856) 5.014 4.345 ( -3.223 -1.861 3.716) 5.259 4.571 ( 3.428 1.979 7.894) 8.831 4.883 ( 2.750 1.588 -2.470) 4.023 4.920 ( 1.163 0.671 -1.143) 1.763 5.061 ( 8.608 4.970 -1.076) 9.998 5.105 ( 1.372 0.792 -2.082) 2.617 5.574 ( -0.773 -0.446 -0.798) 1.198 8.964 ( 2.151 1.242 2.221) 3.332 9.396 ( -1.701 -0.982 5.089) 5.455 9.925 ( -0.798 -0.460 0.768) 1.199 10.423 ( -2.829 -1.633 3.209) 4.579 10.552 ( 1.191 0.688 -3.928) 4.162 10.707 ( -0.707 -0.408 -6.175) 6.229 11.289 ( -0.503 -0.291 2.493) 2.560 11.731 ( -6.779 -3.914 -1.470) 7.964 11.923 ( 2.080 1.201 -1.838) 3.024 12.960 ( 5.939 3.429 0.119) 6.859 22.033 ( 0.816 0.471 0.583) 1.108 22.244 ( -0.807 -0.466 -0.930) 1.316 22.565 ( -7.840 -4.527 2.160) 9.308 22.671 ( 2.359 1.362 -1.748) 3.236 22.929 ( 2.589 1.495 -1.143) 3.201 23.588 ( 2.149 1.241 -6.477) 6.936 23.748 ( 6.725 3.883 12.203) 14.464 23.901 ( -5.854 -3.380 -1.818) 7.000 ======================= Grid point 240 (80/116) ======================= q-point: ( 0.30 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.926 ( -0.000 13.201 -10.308) 16.749 1.075 ( 0.000 11.529 20.031) 23.112 1.097 ( 0.000 12.578 20.099) 23.710 1.223 ( -0.000 30.244 -15.412) 33.945 2.002 ( 0.000 8.387 41.259) 42.103 2.489 ( -0.000 0.588 -19.448) 19.457 2.562 ( -0.000 6.911 -21.933) 22.996 3.126 ( -0.000 3.848 -1.647) 4.186 3.223 ( 0.000 -2.839 2.671) 3.898 3.228 ( 0.000 -2.143 8.374) 8.644 3.319 ( -0.000 2.280 -1.090) 2.528 3.628 ( 0.000 -3.323 3.553) 4.865 3.710 ( -0.000 4.214 1.527) 4.482 3.875 ( -0.000 6.622 0.143) 6.623 4.141 ( -0.000 -1.272 -5.247) 5.399 4.898 ( -0.000 -3.190 -3.837) 4.990 5.024 ( 0.000 -2.560 3.148) 4.057 5.066 ( 0.000 -0.479 0.513) 0.702 5.178 ( -0.000 -2.601 -3.983) 4.757 5.273 ( -0.000 4.108 -3.528) 5.415 5.823 ( -0.000 -5.771 -9.880) 11.442 9.132 ( -0.000 -0.886 -0.606) 1.074 9.163 ( -0.000 3.862 -1.299) 4.075 9.991 ( 0.000 -0.228 4.415) 4.421 10.028 ( 0.000 3.562 4.285) 5.572 10.616 ( -0.000 -2.376 -1.739) 2.944 10.718 ( -0.000 4.125 -2.754) 4.960 11.244 ( -0.000 1.469 0.019) 1.470 11.251 ( -0.000 3.682 -0.186) 3.686 12.627 ( 0.000 -15.622 11.951) 19.669 13.338 ( -0.000 -4.723 -4.368) 6.433 22.063 ( -0.000 0.201 -1.700) 1.712 22.138 ( -0.000 7.151 -1.578) 7.323 22.214 ( 0.000 -0.333 1.635) 1.669 22.302 ( -0.000 6.229 -2.758) 6.812 23.184 ( 0.000 -0.273 2.597) 2.612 23.363 ( 0.000 -0.293 0.694) 0.753 23.530 ( -0.000 1.090 -1.592) 1.930 25.187 ( 0.000 -17.408 7.356) 18.899 ======================= Grid point 241 (81/116) ======================= q-point: ( 0.40 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( 7.781 16.218 -7.729) 19.578 1.383 ( 8.708 12.894 16.158) 22.431 1.389 ( 8.993 13.102 16.586) 22.971 1.574 ( 12.273 22.818 -8.861) 27.383 2.286 ( 2.155 7.604 24.340) 25.591 2.417 ( 0.799 2.508 -16.197) 16.409 2.585 ( 5.534 6.635 -13.326) 15.882 3.171 ( 0.751 3.111 -1.357) 3.476 3.217 ( -2.718 -2.747 7.357) 8.310 3.239 ( 3.421 -1.842 0.309) 3.898 3.321 ( -0.902 1.422 -2.173) 2.749 3.602 ( -0.470 -3.296 4.401) 5.519 3.780 ( 2.928 1.816 -0.671) 3.510 3.965 ( 1.930 7.514 -0.312) 7.764 4.082 ( -2.121 -1.321 -6.020) 6.518 4.814 ( -2.535 -4.380 -5.798) 7.696 4.958 ( -5.924 -3.219 5.811) 8.901 5.051 ( -2.002 0.981 0.244) 2.242 5.158 ( 2.312 -2.972 -2.870) 4.735 5.302 ( 1.173 2.803 -4.310) 5.274 5.701 ( -1.477 -7.448 -7.234) 10.487 9.096 ( -2.562 -0.010 -0.571) 2.624 9.204 ( 0.679 3.182 -0.991) 3.401 10.003 ( -0.555 -0.104 3.645) 3.689 10.120 ( 3.241 3.982 4.712) 6.969 10.602 ( 1.867 -3.227 -2.034) 4.247 10.744 ( 0.365 3.300 -3.173) 4.592 11.242 ( -0.902 2.376 0.508) 2.592 11.347 ( 4.422 4.767 -0.678) 6.538 12.482 ( -4.530 -13.336 11.758) 18.347 13.222 ( -4.282 -6.097 -4.802) 8.864 22.044 ( -1.282 0.735 -1.281) 1.956 22.178 ( 0.524 1.484 1.124) 1.934 22.281 ( 1.799 4.241 0.889) 4.692 22.403 ( 6.834 6.124 -5.873) 10.895 23.194 ( 0.269 -1.422 3.855) 4.118 23.335 ( -2.587 -0.479 -1.266) 2.919 23.538 ( 0.395 1.488 -2.197) 2.683 24.965 ( -8.898 -15.825 9.564) 20.520 ======================= Grid point 242 (82/116) ======================= q-point: ( 0.50 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( 10.457 14.763 -3.722) 18.470 1.731 ( 10.521 11.191 10.684) 18.710 1.799 ( 12.994 13.197 12.221) 22.189 1.961 ( 12.090 14.525 -1.631) 18.969 2.375 ( 3.189 3.154 -10.069) 11.023 2.437 ( 1.796 6.487 -8.751) 11.040 2.825 ( 11.331 7.248 12.225) 18.176 3.126 ( -6.523 -4.030 7.331) 10.608 3.178 ( -3.872 0.826 -0.241) 3.966 3.297 ( 4.100 0.253 -1.846) 4.504 3.311 ( 0.125 1.442 -3.532) 3.817 3.598 ( 1.758 -3.025 3.147) 4.706 3.815 ( 1.365 -1.990 -1.767) 2.991 3.981 ( -4.270 -1.357 -6.032) 7.514 4.088 ( 3.190 7.579 -0.005) 8.223 4.680 ( -4.576 -4.187 -5.323) 8.174 4.846 ( -5.052 -3.444 4.206) 7.422 5.021 ( -2.785 1.746 -0.221) 3.295 5.146 ( -0.012 -2.453 -2.381) 3.419 5.310 ( 2.104 -3.717 -4.912) 6.510 5.579 ( -2.782 -3.440 -1.494) 4.669 9.043 ( -3.968 1.083 0.193) 4.117 9.247 ( 1.980 1.479 -0.034) 2.472 10.004 ( -1.016 0.259 2.469) 2.682 10.246 ( 4.300 2.512 5.002) 7.058 10.583 ( 0.988 -3.410 -2.661) 4.437 10.762 ( 0.769 1.029 -3.162) 3.413 11.268 ( -0.074 3.714 1.168) 3.894 11.481 ( 5.444 5.423 -1.149) 7.770 12.338 ( -4.337 -9.304 7.546) 12.741 13.042 ( -6.151 -6.081 -4.323) 9.669 22.027 ( -1.104 0.910 -0.561) 1.537 22.209 ( 2.426 -1.684 0.891) 3.085 22.356 ( 0.859 6.482 0.566) 6.563 22.569 ( 7.846 5.404 -4.981) 10.750 23.182 ( -2.388 -3.901 4.154) 6.179 23.278 ( -1.677 1.012 -1.122) 2.257 23.552 ( 0.801 1.661 -3.030) 3.547 24.688 ( -10.660 -13.241 8.266) 18.902 ======================= Grid point 243 (83/116) ======================= q-point: ( 0.60 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.686 ( 7.621 11.482 -1.070) 13.823 2.049 ( 10.084 7.504 4.722) 13.427 2.169 ( 8.417 11.201 5.315) 14.985 2.227 ( 7.559 7.292 3.293) 11.006 2.440 ( 3.161 5.467 -8.181) 10.335 2.563 ( 8.880 6.920 -5.654) 12.598 2.965 ( -10.044 -4.857 7.590) 13.494 3.050 ( -5.080 0.069 1.730) 5.367 3.147 ( 6.494 -0.406 6.704) 9.342 3.320 ( 1.899 2.923 -1.718) 3.886 3.376 ( 3.462 2.328 -0.097) 4.173 3.632 ( 3.859 -1.019 0.209) 3.996 3.764 ( -1.627 -5.129 -1.798) 5.674 3.852 ( -4.825 -1.679 -6.993) 8.660 4.226 ( 3.661 6.577 2.052) 7.802 4.541 ( -4.416 -3.127 -2.454) 5.942 4.770 ( -1.274 -2.458 0.172) 2.774 4.995 ( -2.769 3.095 -0.605) 4.197 5.070 ( -1.169 -7.502 -2.725) 8.066 5.261 ( -2.239 -1.634 -0.600) 2.836 5.536 ( 0.029 -0.614 -0.563) 0.834 8.990 ( -3.953 1.841 1.187) 4.519 9.303 ( 3.294 -0.258 1.561) 3.654 9.996 ( -1.534 0.831 1.338) 2.199 10.348 ( 3.328 -0.376 4.936) 5.965 10.550 ( 0.519 -2.596 -3.185) 4.142 10.758 ( 0.897 -1.703 -3.842) 4.297 11.318 ( -0.625 5.733 1.400) 5.934 11.626 ( 5.476 5.239 -1.241) 7.679 12.200 ( -5.419 -6.774 1.958) 8.893 12.881 ( -3.709 -4.404 -1.978) 6.088 22.020 ( -0.689 0.990 0.002) 1.206 22.229 ( 2.111 -2.756 0.078) 3.472 22.452 ( 2.280 6.650 0.353) 7.039 22.721 ( 5.627 4.869 -2.997) 8.022 23.062 ( -7.225 -3.383 0.575) 7.999 23.312 ( 3.243 0.331 3.751) 4.970 23.571 ( 1.230 1.728 -3.521) 4.110 24.414 ( -10.173 -11.214 4.972) 15.936 ======================= Grid point 244 (84/116) ======================= q-point: ( 0.70 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.860 ( 1.338 7.303 0.011) 7.425 2.237 ( 5.644 1.419 0.401) 5.834 2.374 ( 3.477 7.598 1.880) 8.565 2.441 ( 3.696 6.650 3.964) 8.578 2.482 ( -2.160 4.655 -2.030) 5.519 2.667 ( -5.590 -2.864 -0.049) 6.281 2.803 ( -1.769 -2.096 3.583) 4.512 2.972 ( -2.827 4.477 -0.491) 5.318 3.179 ( 2.694 -7.453 -0.572) 7.945 3.362 ( -2.234 -0.020 -2.604) 3.431 3.434 ( -1.483 -0.454 6.167) 6.359 3.665 ( -0.684 -1.404 -5.766) 5.973 3.706 ( -1.144 0.952 -2.302) 2.741 3.829 ( 11.570 -0.071 -0.312) 11.574 4.354 ( 2.321 4.945 3.293) 6.379 4.465 ( -0.526 -0.826 -0.226) 1.005 4.753 ( 1.919 -1.670 -2.088) 3.291 4.962 ( -0.394 -6.180 0.122) 6.194 4.985 ( -2.048 2.111 -1.470) 3.288 5.203 ( -5.428 3.010 1.029) 6.291 5.539 ( 2.003 -1.713 -1.842) 3.215 8.962 ( -2.325 2.448 1.881) 3.865 9.362 ( 3.202 -2.211 3.494) 5.230 9.982 ( -2.004 1.530 0.578) 2.587 10.401 ( 2.400 -2.816 4.147) 5.558 10.526 ( 0.655 -1.301 -2.936) 3.278 10.722 ( 0.443 -3.471 -5.344) 6.388 11.362 ( -2.509 6.657 1.252) 7.223 11.756 ( 4.284 4.382 -0.959) 6.203 12.030 ( -6.831 -5.222 -1.617) 8.749 12.824 ( 1.289 -1.972 0.141) 2.360 22.023 ( -0.239 1.142 0.345) 1.217 22.229 ( 1.409 -3.060 -0.463) 3.400 22.564 ( 2.959 5.905 0.136) 6.606 22.826 ( 1.878 4.059 -0.645) 4.518 22.893 ( -7.877 -3.050 -0.729) 8.478 23.419 ( 6.193 0.087 3.864) 7.300 23.602 ( 2.019 2.116 -1.535) 3.303 24.163 ( -8.654 -9.127 1.591) 12.678 ======================= Grid point 245 (85/116) ======================= q-point: (-0.20 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.870 ( -6.017 2.642 0.225) 6.575 2.257 ( -11.658 -0.552 0.051) 11.671 2.274 ( -12.177 -2.680 3.804) 13.036 2.419 ( -7.214 -5.680 4.104) 10.057 2.486 ( -5.207 -0.115 4.400) 6.818 2.612 ( 3.223 8.133 0.801) 8.785 2.805 ( 1.756 -2.538 -4.371) 5.351 3.013 ( 0.538 6.962 -4.308) 8.205 3.155 ( 1.867 -6.093 -0.091) 6.373 3.274 ( -2.755 -1.312 -1.607) 3.449 3.380 ( -1.541 -5.009 6.817) 8.598 3.612 ( -2.849 -0.340 -3.460) 4.495 3.755 ( 5.912 2.998 -4.169) 7.831 4.032 ( 7.622 0.180 -0.686) 7.655 4.407 ( -1.409 1.436 2.294) 3.051 4.536 ( 5.681 2.396 2.935) 6.829 4.781 ( 4.700 -1.179 -3.067) 5.735 4.941 ( 4.832 -3.874 -0.083) 6.194 4.978 ( -2.306 5.535 -0.659) 6.033 5.149 ( -4.231 2.854 0.029) 5.104 5.548 ( 1.817 -1.681 -1.526) 2.908 8.978 ( -0.140 2.965 1.966) 3.560 9.392 ( 1.610 -4.340 4.706) 6.601 9.965 ( -2.203 2.004 0.496) 3.019 10.416 ( 1.244 -4.576 1.626) 5.013 10.516 ( 0.986 -0.710 -3.191) 3.415 10.670 ( 0.285 -1.603 -3.794) 4.129 11.369 ( -4.199 5.101 1.380) 6.750 11.809 ( -4.689 -0.303 -1.156) 4.839 11.898 ( 0.348 0.048 -1.479) 1.520 12.877 ( 5.492 0.039 0.043) 5.493 22.037 ( 0.153 1.361 0.433) 1.436 22.214 ( 0.895 -3.324 -0.590) 3.493 22.660 ( 1.587 3.892 -0.551) 4.239 22.709 ( -9.783 -0.644 1.031) 9.858 22.892 ( 2.426 1.684 -0.801) 3.060 23.512 ( 4.056 -0.742 -5.101) 6.559 23.714 ( 6.594 3.165 8.385) 11.127 23.954 ( -6.341 -6.399 -0.173) 9.010 ======================= Grid point 251 (86/116) ======================= q-point: ( 0.40 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( -0.000 18.263 -6.834) 19.500 1.516 ( 0.000 14.435 16.379) 21.832 1.535 ( 0.000 14.227 14.613) 20.395 1.697 ( -0.000 27.352 -6.823) 28.190 2.339 ( -0.000 2.268 -17.658) 17.803 2.421 ( -0.000 7.113 -5.202) 8.812 2.620 ( 0.000 10.583 15.830) 19.042 3.165 ( 0.000 -4.379 2.930) 5.269 3.208 ( -0.000 4.665 -3.413) 5.780 3.241 ( 0.000 -3.093 5.888) 6.651 3.341 ( -0.000 1.794 -0.844) 1.982 3.595 ( 0.000 -3.298 4.377) 5.481 3.757 ( -0.000 -0.350 -1.727) 1.762 4.031 ( -0.000 9.000 -1.133) 9.071 4.061 ( -0.000 -0.824 -6.445) 6.497 4.762 ( -0.000 -4.713 -6.507) 8.035 5.043 ( 0.000 -1.008 6.866) 6.940 5.057 ( 0.000 -1.940 1.303) 2.337 5.085 ( -0.000 -2.368 -3.067) 3.875 5.279 ( -0.000 -2.343 -6.449) 6.861 5.605 ( -0.000 -5.472 -5.077) 7.465 9.094 ( -0.000 -2.052 -0.912) 2.245 9.254 ( -0.000 6.514 -2.313) 6.912 10.018 ( 0.000 -0.874 3.411) 3.521 10.163 ( 0.000 5.321 4.761) 7.140 10.548 ( 0.000 -2.942 -1.003) 3.108 10.756 ( -0.000 2.150 -2.960) 3.658 11.278 ( -0.000 1.924 -0.234) 1.939 11.358 ( -0.000 6.831 -0.064) 6.832 12.422 ( 0.000 -15.418 11.219) 19.068 13.171 ( -0.000 -7.093 -4.741) 8.532 22.047 ( -0.000 -0.222 -1.464) 1.481 22.227 ( 0.000 0.087 1.471) 1.474 22.300 ( -0.000 9.215 0.743) 9.245 22.381 ( -0.000 5.312 -4.623) 7.042 23.186 ( 0.000 -3.115 3.876) 4.972 23.350 ( -0.000 0.135 -1.855) 1.860 23.543 ( -0.000 2.201 -2.552) 3.370 24.908 ( 0.000 -17.897 8.253) 19.708 ======================= Grid point 252 (87/116) ======================= q-point: ( 0.50 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( 6.860 17.185 -3.881) 18.906 1.777 ( 4.452 13.320 10.636) 17.618 1.808 ( 8.039 14.072 13.096) 20.837 1.983 ( 5.058 21.528 -1.746) 22.183 2.307 ( 2.131 4.101 -14.427) 15.149 2.436 ( 0.299 7.572 -14.112) 16.018 2.856 ( 3.969 8.344 20.727) 22.693 3.170 ( 4.667 -4.750 1.649) 6.860 3.207 ( -3.170 -3.102 5.243) 6.867 3.238 ( -0.295 2.700 -3.115) 4.133 3.348 ( -1.636 3.605 -0.586) 4.002 3.574 ( -0.854 -2.480 3.185) 4.126 3.745 ( 1.767 -3.904 -2.189) 4.812 4.002 ( -2.430 -0.847 -6.377) 6.876 4.130 ( 1.559 9.058 -1.306) 9.283 4.665 ( -2.198 -3.843 -6.776) 8.094 4.941 ( -6.792 -4.345 4.765) 9.366 5.051 ( 0.013 -1.800 -2.225) 2.862 5.121 ( 1.025 0.926 2.679) 3.015 5.187 ( 1.457 -8.731 -6.747) 11.130 5.564 ( 0.163 -1.477 -1.212) 1.918 9.074 ( 0.353 -1.498 -0.809) 1.739 9.284 ( -2.415 5.691 -1.961) 6.486 10.023 ( -0.008 -0.746 2.175) 2.300 10.252 ( 1.411 4.253 5.134) 6.814 10.523 ( 0.728 -3.095 -0.856) 3.292 10.755 ( -0.220 0.463 -2.767) 2.814 11.303 ( 0.766 3.075 0.033) 3.169 11.461 ( 3.238 7.037 -0.419) 7.758 12.311 ( -1.351 -12.752 8.371) 15.314 13.044 ( -3.692 -6.808 -4.230) 8.825 22.041 ( 0.065 0.100 -1.132) 1.139 22.204 ( -1.894 0.295 1.252) 2.290 22.412 ( 0.447 6.232 0.373) 6.260 22.478 ( 6.884 7.108 -3.312) 10.434 23.166 ( 0.300 -5.269 3.598) 6.387 23.327 ( -2.270 1.396 -1.534) 3.075 23.553 ( -0.111 2.605 -3.199) 4.127 24.715 ( -5.603 -16.695 6.899) 18.913 ======================= Grid point 253 (88/116) ======================= q-point: ( 0.60 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.677 ( 8.074 14.259 -1.455) 16.451 2.020 ( 5.173 9.224 4.205) 11.381 2.160 ( 9.808 12.339 7.894) 17.629 2.218 ( 4.123 10.303 1.207) 11.163 2.399 ( 5.742 9.665 -7.550) 13.542 2.489 ( 4.199 8.304 -9.331) 13.178 3.052 ( 1.105 0.755 7.455) 7.574 3.120 ( -4.255 -3.507 8.961) 10.522 3.191 ( -4.749 0.900 0.788) 4.897 3.255 ( 7.865 -2.917 -0.842) 8.431 3.376 ( -1.053 6.734 2.513) 7.264 3.556 ( 1.146 -1.671 -2.476) 3.199 3.709 ( 0.560 -6.612 0.807) 6.685 3.892 ( -4.958 -1.890 -7.820) 9.450 4.251 ( 2.716 8.071 -0.169) 8.518 4.558 ( -2.954 -2.806 -4.623) 6.162 4.801 ( -4.937 -4.882 2.621) 7.422 4.997 ( -1.755 -7.356 -3.323) 8.261 5.065 ( -1.293 0.630 -0.751) 1.623 5.217 ( 3.892 0.061 0.620) 3.941 5.540 ( -1.162 -1.679 -0.110) 2.045 9.066 ( -0.798 0.727 -0.013) 1.080 9.280 ( -1.308 1.998 -0.497) 2.439 10.025 ( -0.176 0.182 0.756) 0.798 10.326 ( 1.194 0.642 4.705) 4.896 10.499 ( 0.564 -2.565 -1.268) 2.916 10.729 ( -0.696 -1.472 -2.406) 2.905 11.371 ( 1.951 5.166 0.189) 5.525 11.594 ( 4.261 6.592 -0.615) 7.873 12.200 ( -2.299 -9.183 3.828) 10.211 12.890 ( -4.300 -5.388 -2.559) 7.353 22.040 ( -0.190 0.782 -0.494) 0.944 22.187 ( -0.153 -1.235 0.678) 1.417 22.487 ( 1.530 5.946 -0.466) 6.158 22.659 ( 6.431 6.629 -1.592) 9.372 23.117 ( -1.756 -4.741 1.709) 5.337 23.302 ( -1.195 0.911 0.960) 1.783 23.564 ( 0.199 2.630 -3.238) 4.177 24.464 ( -7.825 -14.589 4.495) 17.155 ======================= Grid point 254 (89/116) ======================= q-point: ( 0.70 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.913 ( 4.013 11.138 -0.315) 11.843 2.161 ( 4.496 2.718 -0.406) 5.269 2.384 ( 5.210 8.726 1.706) 10.305 2.457 ( 5.206 7.491 3.858) 9.904 2.532 ( 3.104 9.642 -4.026) 10.900 2.647 ( 5.071 6.532 -3.119) 8.838 2.930 ( -9.110 -4.837 4.740) 11.352 3.049 ( -2.595 -8.191 0.708) 8.621 3.148 ( -5.120 4.570 5.154) 8.583 3.383 ( 0.635 1.368 -3.954) 4.232 3.430 ( 4.226 0.923 3.128) 5.338 3.604 ( 5.056 -0.367 -2.674) 5.732 3.638 ( 1.237 -7.748 3.100) 8.436 3.747 ( -3.597 -0.737 -6.024) 7.055 4.375 ( 2.788 6.085 1.166) 6.794 4.474 ( -2.086 -1.822 -1.095) 2.978 4.718 ( -0.939 -2.440 -0.699) 2.707 4.877 ( -0.732 -7.759 -1.040) 7.862 5.072 ( -1.736 4.598 -0.187) 4.919 5.277 ( 0.838 1.965 0.698) 2.247 5.491 ( -0.826 -3.236 -0.843) 3.445 9.054 ( -3.026 3.270 0.828) 4.532 9.287 ( 2.435 -2.947 1.370) 4.061 10.028 ( -0.730 1.819 -0.147) 1.965 10.347 ( 1.065 -3.314 2.814) 4.476 10.483 ( 0.731 -1.793 -1.272) 2.317 10.684 ( -0.983 -2.106 -2.098) 3.130 11.459 ( 0.605 6.936 -0.062) 6.963 11.727 ( 4.162 5.464 -0.344) 6.877 12.072 ( -4.663 -6.333 -0.024) 7.864 12.789 ( -0.959 -3.526 -0.435) 3.680 22.045 ( -0.367 1.422 0.090) 1.471 22.176 ( 0.754 -2.530 -0.021) 2.640 22.580 ( 2.438 5.897 0.015) 6.381 22.793 ( 3.469 3.157 -1.574) 4.948 23.031 ( -6.084 0.811 0.672) 6.174 23.323 ( 3.733 -2.602 1.936) 4.945 23.590 ( 1.321 2.884 -1.428) 3.478 24.208 ( -7.728 -11.842 1.794) 14.254 ======================= Grid point 255 (90/116) ======================= q-point: (-0.20 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.004 ( -3.830 6.475 0.001) 7.523 2.268 ( 5.534 0.483 0.875) 5.624 2.482 ( -6.124 3.282 -0.550) 6.969 2.527 ( -5.069 0.666 -0.642) 5.153 2.599 ( -2.854 4.774 1.599) 5.787 2.699 ( -3.521 5.500 1.137) 6.628 2.793 ( -3.514 -0.956 2.309) 4.313 2.983 ( 5.227 -6.176 0.854) 8.136 3.131 ( -3.745 3.713 2.175) 5.704 3.299 ( -3.315 -0.867 -4.019) 5.281 3.393 ( -5.807 -10.604 4.224) 12.807 3.602 ( 4.490 2.504 -4.480) 6.818 3.696 ( 0.812 1.535 -3.190) 3.632 3.849 ( 12.594 -0.136 1.589) 12.694 4.437 ( -0.105 0.411 1.524) 1.582 4.484 ( 3.088 2.193 0.365) 3.805 4.702 ( 1.588 -0.380 -3.104) 3.507 4.826 ( 2.752 -4.997 0.043) 5.705 5.084 ( -2.809 5.646 0.397) 6.318 5.264 ( -4.913 1.208 1.111) 5.179 5.472 ( 3.110 -2.377 -1.702) 4.268 9.044 ( -2.550 3.806 1.183) 4.732 9.307 ( 3.627 -6.094 2.667) 7.576 10.032 ( -1.894 3.369 -0.241) 3.872 10.334 ( 1.754 -5.639 0.210) 5.909 10.474 ( 0.968 -1.235 -1.644) 2.273 10.649 ( -0.138 -0.576 -0.483) 0.765 11.508 ( -3.366 6.793 -0.217) 7.585 11.839 ( 3.023 3.934 0.399) 4.978 11.920 ( -5.626 -4.083 -1.454) 7.102 12.785 ( 3.503 -1.886 -0.018) 3.978 22.057 ( -0.299 1.829 0.292) 1.876 22.161 ( 0.948 -3.119 -0.298) 3.274 22.678 ( 1.619 4.958 0.348) 5.227 22.804 ( -1.445 -2.188 -2.244) 3.451 22.955 ( -6.489 5.547 2.186) 8.812 23.379 ( 6.057 -4.431 -2.535) 7.921 23.675 ( 4.652 3.597 3.493) 6.840 23.990 ( -6.026 -8.095 0.320) 10.097 ======================= Grid point 262 (91/116) ======================= q-point: ( 0.50 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( -0.000 16.299 -2.597) 16.504 1.924 ( 0.000 13.453 8.157) 15.733 1.938 ( 0.000 13.661 12.422) 18.465 2.166 ( -0.000 21.498 0.017) 21.498 2.262 ( -0.000 4.752 -12.897) 13.745 2.446 ( -0.000 8.134 -13.298) 15.588 2.997 ( 0.000 6.354 16.735) 17.901 3.061 ( 0.000 -7.948 1.997) 8.195 3.222 ( 0.000 -3.226 3.896) 5.058 3.264 ( -0.000 3.395 -3.236) 4.690 3.406 ( -0.000 5.818 -0.502) 5.839 3.588 ( 0.000 -1.547 4.531) 4.788 3.669 ( 0.000 -5.260 -2.237) 5.716 3.982 ( -0.000 -1.604 -6.302) 6.503 4.199 ( -0.000 8.952 -2.134) 9.202 4.621 ( -0.000 -2.564 -6.720) 7.193 4.983 ( 0.000 -3.459 -1.107) 3.631 4.989 ( 0.000 -12.178 -3.755) 12.744 5.066 ( 0.000 -0.672 1.572) 1.710 5.132 ( 0.000 -1.201 4.045) 4.219 5.550 ( -0.000 -0.278 -0.863) 0.907 9.038 ( -0.000 -2.314 -1.408) 2.708 9.365 ( -0.000 6.912 -3.514) 7.754 10.018 ( 0.000 -1.458 1.495) 2.088 10.317 ( 0.000 4.938 5.301) 7.245 10.490 ( 0.000 -2.492 0.890) 2.646 10.744 ( -0.000 -0.643 -2.700) 2.775 11.311 ( -0.000 1.765 -0.875) 1.970 11.510 ( -0.000 7.942 0.128) 7.943 12.229 ( 0.000 -12.537 7.685) 14.705 12.992 ( -0.000 -6.154 -3.674) 7.167 22.030 ( -0.000 -0.211 -1.088) 1.108 22.242 ( 0.000 0.103 1.220) 1.225 22.439 ( -0.000 4.999 -4.422) 6.674 22.507 ( -0.000 9.244 2.831) 9.667 23.114 ( 0.000 -6.873 2.293) 7.246 23.357 ( -0.000 1.805 -0.628) 1.911 23.571 ( -0.000 3.681 -4.070) 5.488 24.619 ( 0.000 -17.239 5.389) 18.062 ======================= Grid point 263 (92/116) ======================= q-point: ( 0.60 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.681 ( 5.937 13.027 -1.017) 14.353 2.088 ( 0.701 10.473 2.793) 10.862 2.175 ( 5.965 11.269 9.059) 15.641 2.273 ( 1.367 8.453 -4.324) 9.592 2.397 ( 4.117 13.654 -2.486) 14.477 2.486 ( 1.295 8.196 -7.066) 10.899 3.047 ( 5.680 -8.098 0.747) 9.919 3.087 ( 0.932 -0.607 3.883) 4.039 3.185 ( -3.491 -2.589 4.490) 6.249 3.271 ( -0.991 2.659 1.747) 3.333 3.469 ( 0.826 5.950 -2.137) 6.376 3.564 ( -3.688 1.359 0.866) 4.025 3.639 ( 1.661 -4.750 4.280) 6.606 3.901 ( -3.177 -3.306 -7.315) 8.633 4.288 ( 1.619 7.826 -1.925) 8.220 4.552 ( -1.753 -1.947 -5.381) 5.984 4.810 ( -3.323 -9.095 -0.927) 9.727 4.996 ( -3.240 -2.351 0.625) 4.052 5.005 ( 2.522 -3.440 -0.525) 4.297 5.193 ( 3.017 1.471 3.772) 5.050 5.535 ( -0.681 -1.591 -0.443) 1.786 9.029 ( 2.188 -1.745 -1.262) 3.070 9.375 ( -4.108 5.330 -3.260) 7.478 10.014 ( 0.746 -1.191 0.402) 1.461 10.371 ( -1.553 2.493 4.639) 5.491 10.475 ( -0.001 -1.512 1.353) 2.029 10.715 ( -0.563 -1.802 -2.048) 2.785 11.355 ( 3.373 2.382 -0.903) 4.227 11.609 ( 2.147 7.566 0.018) 7.865 12.142 ( -0.267 -10.329 5.211) 11.572 12.894 ( -3.016 -4.425 -2.552) 5.932 22.032 ( 0.787 0.030 -0.793) 1.118 22.217 ( -2.697 0.034 0.884) 2.838 22.498 ( 2.476 4.877 -2.770) 6.131 22.642 ( 3.570 7.955 2.188) 8.990 23.058 ( 1.095 -7.380 1.122) 7.545 23.359 ( -2.020 2.078 0.580) 2.955 23.585 ( -0.567 4.196 -4.383) 6.094 24.435 ( -4.157 -15.816 3.581) 16.741 ======================= Grid point 264 (93/116) ======================= q-point: ( 0.70 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.912 ( 7.536 9.090 -0.175) 11.809 2.165 ( -0.551 5.578 -1.090) 5.710 2.390 ( 4.905 8.405 1.092) 9.792 2.449 ( 5.896 7.314 4.153) 10.272 2.539 ( 4.130 7.702 -4.268) 9.726 2.620 ( 5.156 7.756 0.450) 9.324 2.978 ( -1.961 -7.945 -2.128) 8.456 3.055 ( -6.973 -6.028 0.574) 9.235 3.199 ( 11.464 -2.080 -1.600) 11.760 3.303 ( -2.446 1.799 6.393) 7.078 3.465 ( -1.941 0.201 -2.791) 3.405 3.583 ( -1.210 8.623 2.923) 9.185 3.619 ( -2.988 -7.240 3.552) 8.600 3.758 ( -3.196 -1.780 -6.483) 7.444 4.389 ( 2.607 5.841 -0.766) 6.442 4.483 ( -1.776 -1.588 -2.643) 3.558 4.704 ( -1.144 -4.253 1.246) 4.577 4.866 ( -5.273 -3.769 0.377) 6.492 5.076 ( 4.678 0.823 -0.659) 4.795 5.272 ( 2.178 2.464 1.347) 3.554 5.484 ( -2.148 -3.221 0.063) 3.872 9.064 ( 3.463 -0.567 -0.550) 3.552 9.309 ( -5.677 1.720 -1.744) 6.183 10.029 ( 1.610 0.154 -0.200) 1.629 10.351 ( -2.825 -1.231 2.295) 3.843 10.468 ( -0.551 -0.702 0.933) 1.290 10.675 ( -0.867 -1.820 -1.061) 2.278 11.461 ( 5.102 3.757 -0.302) 6.343 11.726 ( 2.838 6.558 -0.130) 7.147 12.056 ( -1.315 -7.936 2.079) 8.308 12.793 ( -3.245 -2.386 -0.961) 4.141 22.049 ( 1.105 0.539 -0.395) 1.291 22.172 ( -2.240 -0.788 0.437) 2.415 22.588 ( 2.981 5.239 -1.064) 6.121 22.774 ( 2.432 3.894 1.100) 4.721 23.036 ( 3.717 -4.083 0.053) 5.522 23.327 ( -4.161 0.907 1.043) 4.385 23.602 ( 0.135 4.194 -2.878) 5.088 24.210 ( -5.910 -13.046 1.547) 14.405 ======================= Grid point 265 (94/116) ======================= q-point: (-0.20 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.104 ( 4.111 7.121 0.000) 8.222 2.185 ( 0.065 0.112 0.000) 0.129 2.547 ( 1.031 1.786 -0.000) 2.062 2.549 ( 4.133 7.158 0.000) 8.266 2.726 ( 5.082 8.802 -0.000) 10.164 2.743 ( 0.533 0.923 -0.000) 1.065 2.854 ( -4.310 -7.466 -0.000) 8.621 2.857 ( -3.079 -5.333 0.000) 6.158 3.218 ( -3.520 -6.096 0.000) 7.039 3.352 ( -3.777 -6.541 -0.000) 7.553 3.426 ( -0.535 -0.926 0.000) 1.069 3.491 ( 3.257 5.641 0.000) 6.514 3.673 ( 2.401 4.158 0.000) 4.801 3.735 ( 0.649 1.125 -0.000) 1.299 4.442 ( -0.544 -0.941 -0.000) 1.087 4.472 ( 1.595 2.763 0.000) 3.191 4.684 ( 0.106 0.183 -0.000) 0.211 4.770 ( -1.573 -2.724 -0.000) 3.146 5.152 ( 1.612 2.792 -0.000) 3.223 5.316 ( -0.099 -0.172 -0.000) 0.199 5.418 ( -0.909 -1.575 0.000) 1.819 9.121 ( 1.400 2.425 0.000) 2.800 9.216 ( -2.335 -4.044 -0.000) 4.670 10.072 ( 1.588 2.751 -0.000) 3.177 10.282 ( -2.458 -4.257 -0.000) 4.916 10.455 ( -0.155 -0.269 -0.000) 0.311 10.648 ( -0.322 -0.558 -0.000) 0.644 11.579 ( 2.735 4.737 0.000) 5.470 11.827 ( 2.463 4.267 -0.000) 4.927 11.951 ( -3.314 -5.740 0.000) 6.628 12.740 ( -0.470 -0.815 -0.000) 0.941 22.076 ( 0.869 1.505 -0.000) 1.737 22.130 ( -1.117 -1.934 -0.000) 2.234 22.693 ( 3.112 5.390 -0.000) 6.224 22.789 ( -1.153 -1.998 -0.000) 2.307 23.110 ( 2.534 4.388 0.000) 5.067 23.239 ( -2.979 -5.159 0.000) 5.957 23.661 ( 2.649 4.587 -0.000) 5.297 24.002 ( -5.193 -8.995 -0.000) 10.387 ======================= Grid point 274 (95/116) ======================= q-point: ( 0.60 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.738 ( -0.000 9.645 -0.512) 9.658 2.207 ( -0.000 9.904 1.214) 9.978 2.255 ( 0.000 6.685 3.991) 7.786 2.311 ( -0.000 9.530 -2.131) 9.766 2.459 ( -0.000 7.650 -5.763) 9.577 2.562 ( -0.000 9.192 3.162) 9.721 2.903 ( 0.000 -8.684 2.609) 9.067 3.041 ( -0.000 -7.053 -6.217) 9.402 3.254 ( 0.000 0.101 7.705) 7.705 3.281 ( -0.000 0.997 -2.191) 2.407 3.477 ( -0.000 1.426 -2.380) 2.774 3.608 ( 0.000 -0.663 3.589) 3.650 3.660 ( 0.000 4.608 3.608) 5.852 3.870 ( -0.000 -2.099 -5.365) 5.761 4.334 ( -0.000 6.534 -2.804) 7.110 4.519 ( -0.000 -2.542 -4.975) 5.586 4.770 ( 0.000 -4.347 0.151) 4.349 4.921 ( 0.000 -2.223 0.303) 2.244 5.069 ( 0.000 -0.773 1.868) 2.021 5.144 ( 0.000 -3.223 3.044) 4.433 5.533 ( 0.000 -0.353 0.155) 0.385 8.983 ( -0.000 -1.374 -1.913) 2.355 9.448 ( -0.000 4.883 -4.936) 6.943 9.992 ( 0.000 -1.596 -0.238) 1.613 10.444 ( 0.000 2.796 4.014) 4.892 10.471 ( 0.000 -1.206 2.961) 3.197 10.693 ( 0.000 -2.116 -0.660) 2.216 11.327 ( -0.000 1.018 -1.724) 2.002 11.665 ( -0.000 7.145 0.113) 7.146 12.065 ( 0.000 -9.918 5.049) 11.129 12.876 ( -0.000 -2.388 -1.929) 3.070 22.021 ( -0.000 0.133 -0.699) 0.712 22.252 ( 0.000 -0.192 0.964) 0.983 22.504 ( -0.000 4.989 -2.871) 5.756 22.704 ( -0.000 7.165 3.110) 7.811 22.968 ( 0.000 -8.620 0.103) 8.620 23.404 ( 0.000 2.250 1.854) 2.915 23.617 ( -0.000 5.731 -5.933) 8.249 24.329 ( 0.000 -15.088 2.468) 15.288 ======================= Grid point 275 (96/116) ======================= q-point: (-0.30 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.862 ( 5.468 4.962 -0.237) 7.388 2.250 ( -2.089 6.299 -1.459) 6.795 2.376 ( 5.187 3.603 2.155) 6.673 2.446 ( 4.016 6.868 0.270) 7.960 2.513 ( 2.638 3.777 -3.891) 6.030 2.634 ( 0.382 1.928 3.551) 4.058 2.871 ( 0.946 -8.779 -3.190) 9.389 2.974 ( 6.547 -3.746 -2.726) 8.021 3.172 ( -6.799 -1.441 0.796) 6.995 3.321 ( 0.812 -2.598 2.381) 3.617 3.501 ( 0.491 4.379 -0.805) 4.479 3.609 ( -1.957 -4.485 1.945) 5.266 3.667 ( -0.206 -1.357 1.252) 1.857 3.842 ( -4.514 9.078 -1.108) 10.199 4.395 ( 1.902 4.465 -2.410) 5.419 4.478 ( -0.653 -0.236 -2.658) 2.748 4.720 ( -2.794 -0.661 2.677) 3.925 4.956 ( -7.100 -2.397 0.888) 7.547 4.972 ( 5.725 -0.569 0.286) 5.761 5.209 ( 5.877 -2.266 0.244) 6.304 5.516 ( -2.462 0.139 1.338) 2.806 8.989 ( 2.776 -0.622 -1.785) 3.358 9.420 ( -4.780 2.579 -4.519) 7.065 9.989 ( 1.742 -1.089 -0.484) 2.111 10.422 ( -4.086 0.100 1.743) 4.443 10.489 ( -0.672 0.027 2.741) 2.822 10.668 ( -0.699 -1.721 0.940) 2.082 11.380 ( 5.573 1.062 -1.178) 5.794 11.750 ( 1.847 6.128 -0.012) 6.400 11.993 ( 0.030 -8.675 3.448) 9.335 12.832 ( -2.705 0.010 -0.944) 2.865 22.029 ( 1.013 0.370 -0.506) 1.191 22.221 ( -3.050 -0.373 0.646) 3.140 22.576 ( 3.178 4.831 -1.420) 5.955 22.797 ( 1.160 4.657 2.730) 5.522 22.900 ( 3.160 -8.117 -1.065) 8.775 23.419 ( -2.485 2.523 2.603) 4.395 23.641 ( -0.755 6.227 -5.914) 8.621 24.166 ( -3.206 -12.862 1.198) 13.310 ======================= Grid point 285 (97/116) ======================= q-point: (-0.30 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.838 ( -0.000 0.568 -0.308) 0.646 2.300 ( 0.000 -6.719 1.542) 6.893 2.318 ( -0.000 0.662 -3.072) 3.142 2.472 ( -0.000 7.468 -0.500) 7.485 2.500 ( -0.000 1.387 -3.660) 3.914 2.587 ( -0.000 -11.662 -5.586) 12.931 2.847 ( 0.000 -1.264 -0.098) 1.268 2.866 ( 0.000 2.186 6.690) 7.038 3.254 ( 0.000 -4.169 3.665) 5.551 3.272 ( -0.000 0.055 -1.643) 1.644 3.483 ( -0.000 -3.192 -7.431) 8.087 3.615 ( 0.000 -1.970 2.929) 3.530 3.674 ( 0.000 3.162 5.181) 6.069 3.983 ( -0.000 9.477 0.522) 9.491 4.395 ( -0.000 2.106 -3.401) 4.000 4.495 ( -0.000 4.543 -1.810) 4.890 4.784 ( 0.000 2.508 2.704) 3.688 4.900 ( 0.000 -0.594 1.326) 1.453 5.052 ( 0.000 -4.668 -1.897) 5.038 5.074 ( 0.000 -0.198 1.785) 1.796 5.555 ( 0.000 0.965 1.858) 2.094 8.954 ( -0.000 0.529 -2.229) 2.291 9.458 ( -0.000 1.162 -5.730) 5.847 9.956 ( -0.000 -1.299 -0.946) 1.607 10.481 ( -0.000 -0.146 -1.683) 1.689 10.496 ( 0.000 0.293 4.059) 4.069 10.677 ( 0.000 -1.692 5.399) 5.657 11.319 ( -0.000 0.076 -2.391) 2.392 11.783 ( -0.000 3.592 0.203) 3.598 11.927 ( 0.000 -7.130 3.457) 7.924 12.866 ( -0.000 2.529 -0.556) 2.589 22.023 ( -0.000 0.584 -0.480) 0.757 22.252 ( 0.000 -0.596 0.829) 1.021 22.584 ( -0.000 4.429 -0.568) 4.465 22.776 ( 0.000 -8.766 -2.183) 9.034 22.845 ( 0.000 3.662 2.888) 4.663 23.482 ( 0.000 2.589 4.471) 5.166 23.686 ( -0.000 7.671 -8.519) 11.464 24.076 ( 0.000 -11.401 0.902) 11.437 ======================= Grid point 342 (98/116) ======================= q-point: ( 0.30 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.695 ( -0.000 0.000 -15.966) 15.966 0.695 ( -0.000 0.000 -15.966) 15.966 1.075 ( 0.000 -0.000 24.656) 24.656 1.075 ( 0.000 -0.000 24.656) 24.656 2.125 ( 0.000 -0.000 42.601) 42.601 2.384 ( -0.000 0.000 -20.663) 20.663 2.384 ( -0.000 0.000 -20.663) 20.663 3.079 ( -0.000 0.000 -1.173) 1.173 3.281 ( 0.000 -0.000 1.828) 1.828 3.281 ( 0.000 -0.000 1.828) 1.828 3.296 ( 0.000 -0.000 9.085) 9.085 3.676 ( 0.000 -0.000 2.545) 2.545 3.676 ( 0.000 -0.000 2.545) 2.545 3.805 ( 0.000 -0.000 0.897) 0.897 4.120 ( -0.000 0.000 -8.641) 8.641 4.928 ( -0.000 0.000 -0.433) 0.433 5.066 ( 0.000 -0.000 0.232) 0.232 5.066 ( 0.000 -0.000 0.232) 0.232 5.197 ( -0.000 0.000 -3.914) 3.914 5.197 ( -0.000 0.000 -3.914) 3.914 5.822 ( -0.000 0.000 -10.973) 10.973 9.131 ( -0.000 0.000 -0.519) 0.519 9.131 ( -0.000 0.000 -0.519) 0.519 10.013 ( 0.000 -0.000 4.401) 4.401 10.013 ( 0.000 -0.000 4.401) 4.401 10.645 ( -0.000 0.000 -1.733) 1.733 10.645 ( -0.000 0.000 -1.733) 1.733 11.221 ( 0.000 -0.000 -0.025) 0.025 11.221 ( -0.000 0.000 -0.025) 0.025 12.848 ( 0.000 -0.000 7.565) 7.565 13.367 ( -0.000 0.000 -4.743) 4.743 22.047 ( -0.000 0.000 -1.348) 1.348 22.047 ( -0.000 0.000 -1.348) 1.348 22.232 ( 0.000 -0.000 1.286) 1.286 22.232 ( 0.000 -0.000 1.286) 1.286 23.192 ( 0.000 -0.000 2.169) 2.169 23.383 ( 0.000 -0.000 2.437) 2.437 23.513 ( -0.000 0.000 -1.191) 1.191 25.392 ( -0.000 0.000 -0.157) 0.157 ======================= Grid point 343 (99/116) ======================= q-point: ( 0.40 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.786 ( 13.414 7.745 -11.928) 19.550 1.085 ( 27.407 15.823 -13.294) 34.326 1.295 ( 9.351 5.399 21.676) 24.216 1.296 ( 8.175 4.720 21.348) 23.342 2.292 ( 1.068 0.616 0.079) 1.235 2.296 ( 1.185 0.684 -19.655) 19.703 2.429 ( 8.340 4.815 13.447) 16.539 3.107 ( 2.546 1.470 -1.471) 3.288 3.267 ( -0.345 -0.199 0.923) 1.005 3.301 ( -0.127 -0.073 -0.001) 0.146 3.310 ( -2.547 -1.470 8.659) 9.144 3.662 ( -1.309 -0.756 3.349) 3.674 3.741 ( 3.617 2.088 1.569) 4.461 3.859 ( 3.810 2.200 0.165) 4.402 4.063 ( -1.070 -0.618 -10.161) 10.236 4.872 ( -4.218 -2.435 -2.486) 5.469 5.039 ( -3.679 -2.124 4.175) 5.957 5.046 ( -1.301 -0.751 0.183) 1.513 5.189 ( -0.099 -0.057 -3.537) 3.539 5.209 ( 3.418 1.974 -3.658) 5.382 5.747 ( -2.057 -1.188 -10.148) 10.422 9.100 ( -1.892 -1.092 -0.042) 2.185 9.163 ( 2.062 1.190 -0.878) 2.538 10.024 ( -0.590 -0.341 3.857) 3.917 10.079 ( 3.641 2.102 4.501) 6.159 10.646 ( -0.159 -0.092 -2.262) 2.269 10.655 ( 2.326 1.343 -2.367) 3.581 11.217 ( 0.194 0.112 0.468) 0.519 11.275 ( 3.926 2.267 -0.503) 4.561 12.746 ( -10.149 -5.859 9.748) 15.243 13.290 ( -4.543 -2.623 -5.073) 7.297 22.030 ( -0.537 -0.310 -0.772) 0.990 22.123 ( 4.856 2.804 -0.944) 5.686 22.251 ( 0.590 0.341 0.657) 0.946 22.285 ( 5.268 3.041 -1.441) 6.251 23.210 ( 0.621 0.358 2.438) 2.541 23.366 ( -2.450 -1.415 1.409) 3.160 23.513 ( 0.421 0.243 -1.486) 1.563 25.238 ( -11.872 -6.854 3.832) 14.234 ======================= Grid point 344 (100/116) ======================= q-point: ( 0.50 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.117 ( 17.146 9.899 -5.578) 20.569 1.615 ( 11.201 6.467 15.700) 20.341 1.624 ( 19.650 11.345 1.875) 22.767 1.681 ( 17.505 10.106 9.852) 22.486 2.264 ( 3.524 2.035 -16.665) 17.155 2.288 ( 3.569 2.061 -15.630) 16.164 2.750 ( 10.804 6.238 20.485) 23.985 3.152 ( 0.776 0.448 -1.060) 1.388 3.246 ( -4.664 -2.693 6.203) 8.214 3.280 ( -0.557 -0.322 -2.616) 2.694 3.285 ( 0.211 0.122 1.366) 1.387 3.654 ( -0.703 -0.406 2.779) 2.895 3.821 ( 2.186 1.262 1.203) 2.797 3.972 ( -2.723 -1.572 -9.992) 10.475 3.974 ( 5.910 3.412 0.613) 6.852 4.733 ( -5.590 -3.227 -5.136) 8.249 4.947 ( -6.248 -3.607 6.969) 10.031 5.010 ( -1.780 -1.028 0.087) 2.058 5.163 ( -0.721 -0.416 -2.930) 3.046 5.286 ( 3.869 2.234 -4.166) 6.109 5.634 ( -4.090 -2.362 -5.998) 7.634 9.047 ( -2.651 -1.530 0.689) 3.138 9.215 ( 2.836 1.638 -0.357) 3.295 10.022 ( -1.010 -0.583 2.965) 3.186 10.209 ( 5.314 3.068 4.577) 7.655 10.618 ( -1.139 -0.658 -3.108) 3.375 10.707 ( 2.793 1.613 -2.966) 4.382 11.234 ( 0.858 0.495 1.289) 1.626 11.387 ( 5.871 3.389 -1.010) 6.854 12.540 ( -10.597 -6.118 7.888) 14.558 13.126 ( -7.088 -4.092 -4.508) 9.344 22.017 ( -0.393 -0.227 -0.220) 0.504 22.230 ( 4.480 2.586 1.413) 5.362 22.264 ( 0.400 0.231 0.017) 0.462 22.439 ( 8.536 4.928 -4.764) 10.947 23.245 ( 0.981 0.566 3.905) 4.066 23.282 ( -4.704 -2.716 -0.305) 5.441 23.519 ( 0.837 0.483 -2.168) 2.374 24.946 ( -14.616 -8.438 5.946) 17.893 ======================= Grid point 345 (101/116) ======================= q-point: ( 0.60 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( 14.390 8.308 -1.845) 16.718 1.940 ( 11.324 6.538 9.814) 16.349 2.013 ( 12.259 7.078 5.819) 15.305 2.095 ( 12.888 7.441 5.226) 15.773 2.303 ( 5.606 3.236 -12.339) 13.934 2.379 ( 11.343 6.549 -11.273) 17.281 3.057 ( 3.250 1.877 7.762) 8.621 3.090 ( -5.453 -3.149 -0.537) 6.320 3.157 ( -0.841 -0.485 13.641) 13.676 3.278 ( 1.209 0.698 -3.855) 4.100 3.324 ( 3.144 1.815 -1.044) 3.778 3.653 ( -0.072 -0.042 0.324) 0.335 3.831 ( -3.186 -1.839 -1.891) 4.136 3.850 ( -2.474 -1.428 -5.624) 6.308 4.130 ( 6.660 3.845 2.332) 8.036 4.589 ( -4.764 -2.751 -3.686) 6.622 4.835 ( -5.134 -2.964 4.136) 7.229 4.968 ( -1.710 -0.987 -0.283) 1.995 5.131 ( -0.991 -0.572 -2.388) 2.648 5.295 ( -2.150 -1.242 -5.077) 5.651 5.543 ( -1.472 -0.850 -0.443) 1.757 8.991 ( -2.497 -1.442 1.500) 3.250 9.292 ( 3.519 2.032 1.404) 4.299 10.006 ( -1.321 -0.763 1.962) 2.485 10.347 ( 4.386 2.532 4.267) 6.622 10.570 ( -1.423 -0.822 -3.853) 4.189 10.742 ( 1.409 0.813 -3.710) 4.051 11.265 ( 1.062 0.613 2.041) 2.382 11.528 ( 6.556 3.785 -1.075) 7.646 12.334 ( -9.315 -5.378 1.787) 10.903 12.952 ( -5.898 -3.405 -1.895) 7.069 22.010 ( -0.140 -0.081 0.210) 0.265 22.269 ( 0.114 0.066 -0.501) 0.518 22.347 ( 4.927 2.844 1.922) 6.004 22.609 ( 7.706 4.449 -4.296) 9.881 23.140 ( -6.994 -4.038 0.214) 8.079 23.310 ( 2.734 1.579 3.829) 4.963 23.532 ( 1.302 0.751 -2.358) 2.796 24.635 ( -14.190 -8.193 4.186) 16.912 ======================= Grid point 346 (102/116) ======================= q-point: ( 0.70 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.736 ( 8.184 4.725 -0.087) 9.451 2.216 ( 9.285 5.361 4.198) 11.514 2.217 ( 5.942 3.430 -0.056) 6.861 2.365 ( 7.914 4.569 7.034) 11.531 2.386 ( 4.550 2.627 -7.089) 8.824 2.628 ( 9.309 5.374 -5.245) 11.960 2.925 ( -9.553 -5.515 9.343) 14.456 2.939 ( -5.834 -3.369 -2.207) 7.089 3.278 ( -0.038 -0.022 -1.951) 1.952 3.306 ( 2.035 1.175 -0.150) 2.355 3.440 ( 4.356 2.515 3.715) 6.253 3.647 ( -0.269 -0.155 -1.877) 1.903 3.718 ( -2.670 -1.542 -4.102) 5.131 3.819 ( 1.746 1.008 0.729) 2.144 4.288 ( 5.425 3.132 3.652) 7.252 4.488 ( -2.753 -1.589 -0.210) 3.185 4.772 ( -0.853 -0.492 -0.478) 1.095 4.930 ( -1.323 -0.764 -1.012) 1.832 5.097 ( -0.941 -0.543 -2.004) 2.280 5.172 ( -5.930 -3.424 -0.733) 6.887 5.542 ( 0.809 0.467 -1.098) 1.442 8.954 ( -1.314 -0.759 2.118) 2.606 9.384 ( 3.123 1.803 3.863) 5.285 9.981 ( -1.399 -0.808 1.164) 1.992 10.441 ( 2.076 1.199 3.946) 4.617 10.523 ( -0.865 -0.499 -4.188) 4.305 10.733 ( -0.365 -0.211 -5.720) 5.736 11.297 ( 0.744 0.430 2.439) 2.586 11.671 ( 5.979 3.452 -0.779) 6.948 12.123 ( -8.612 -4.972 -2.766) 10.321 12.858 ( -1.869 -1.079 0.546) 2.225 22.012 ( 0.177 0.102 0.460) 0.503 22.264 ( -0.209 -0.121 -0.807) 0.842 22.472 ( 5.009 2.892 1.584) 5.997 22.746 ( 5.387 3.110 -2.676) 6.772 22.967 ( -7.780 -4.492 -0.047) 8.983 23.408 ( 4.066 2.347 2.678) 5.405 23.564 ( 2.383 1.376 0.177) 2.758 24.337 ( -12.510 -7.223 1.263) 14.500 ======================= Grid point 353 (103/116) ======================= q-point: ( 0.40 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.759 ( -0.000 17.475 -11.679) 21.018 1.018 ( -0.000 34.169 -12.004) 36.216 1.382 ( 0.000 7.709 22.362) 23.654 1.398 ( 0.000 8.110 21.481) 22.961 2.204 ( -0.000 1.891 -20.823) 20.909 2.234 ( -0.000 4.835 -20.864) 21.417 2.551 ( 0.000 6.090 31.308) 31.895 3.104 ( -0.000 3.352 -1.355) 3.616 3.257 ( 0.000 -2.769 2.057) 3.450 3.298 ( 0.000 -0.817 -0.071) 0.820 3.361 ( 0.000 -1.544 8.054) 8.201 3.672 ( 0.000 -2.420 2.615) 3.563 3.730 ( 0.000 2.447 1.205) 2.727 3.874 ( -0.000 5.800 -0.271) 5.806 4.019 ( -0.000 0.509 -11.884) 11.895 4.857 ( 0.000 -6.262 -1.850) 6.530 5.070 ( 0.000 0.532 3.428) 3.469 5.078 ( 0.000 -0.043 1.156) 1.157 5.124 ( -0.000 -2.483 -3.443) 4.245 5.223 ( -0.000 3.819 -3.352) 5.082 5.682 ( -0.000 -4.243 -9.233) 10.162 9.122 ( -0.000 -1.004 -0.789) 1.277 9.149 ( -0.000 2.969 -0.652) 3.040 10.049 ( 0.000 -0.470 3.391) 3.424 10.090 ( 0.000 3.766 4.085) 5.556 10.596 ( 0.000 -2.220 -0.930) 2.407 10.678 ( -0.000 3.386 -2.822) 4.407 11.241 ( -0.000 1.452 -0.339) 1.491 11.252 ( -0.000 3.597 0.275) 3.608 12.777 ( 0.000 -12.996 9.202) 15.924 13.270 ( -0.000 -4.687 -5.070) 6.905 22.042 ( -0.000 0.102 -1.288) 1.292 22.117 ( -0.000 7.660 -1.173) 7.749 22.235 ( 0.000 -0.219 1.299) 1.317 22.282 ( -0.000 3.268 -0.560) 3.316 23.220 ( 0.000 0.497 2.281) 2.335 23.377 ( 0.000 -2.203 0.889) 2.376 23.508 ( -0.000 0.552 -1.297) 1.409 25.254 ( 0.000 -12.567 2.750) 12.865 ======================= Grid point 354 (104/116) ======================= q-point: ( 0.50 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( 9.877 18.961 -5.949) 22.192 1.456 ( 14.967 26.637 -5.922) 31.123 1.627 ( 5.607 8.970 17.927) 20.816 1.647 ( 7.979 9.856 18.670) 22.569 2.154 ( 2.220 3.329 -18.690) 19.114 2.206 ( 1.292 6.557 -19.904) 20.996 2.791 ( 4.559 7.261 22.761) 24.323 3.148 ( 1.197 3.577 -1.365) 4.011 3.244 ( 0.906 -2.234 0.214) 2.420 3.278 ( -0.780 -1.413 -0.637) 1.735 3.352 ( -3.078 -2.131 7.745) 8.603 3.649 ( -0.583 -3.086 1.948) 3.695 3.781 ( 3.072 -0.038 0.920) 3.207 3.956 ( -0.191 3.225 -7.616) 8.273 3.964 ( 0.932 4.883 -3.509) 6.085 4.744 ( -3.382 -6.276 -3.713) 8.038 5.038 ( -4.591 -2.748 4.638) 7.081 5.059 ( -2.363 0.179 1.270) 2.688 5.125 ( 1.956 -0.965 -1.204) 2.491 5.237 ( 1.082 0.758 -4.909) 5.084 5.604 ( 0.022 -3.626 -5.684) 6.742 9.090 ( -1.834 -0.489 -0.264) 1.916 9.190 ( 1.284 2.817 -0.858) 3.213 10.048 ( -0.833 -0.586 2.453) 2.656 10.185 ( 3.378 4.336 3.940) 6.762 10.579 ( 0.799 -2.832 -1.109) 3.144 10.699 ( 0.368 3.154 -2.895) 4.297 11.249 ( -0.178 2.203 0.486) 2.262 11.338 ( 3.865 4.811 -0.493) 6.191 12.624 ( -5.696 -13.363 7.863) 16.518 13.154 ( -4.129 -5.861 -4.359) 8.390 22.030 ( -0.655 0.421 -0.688) 1.039 22.191 ( 0.966 2.426 0.692) 2.702 22.292 ( 1.790 5.067 0.675) 5.416 22.342 ( 5.203 4.235 -2.903) 7.310 23.243 ( 1.001 -0.003 2.829) 3.001 23.327 ( -3.018 -2.695 -0.190) 4.051 23.509 ( 0.118 0.845 -1.719) 1.919 25.056 ( -7.965 -13.947 3.912) 16.531 ======================= Grid point 355 (105/116) ======================= q-point: ( 0.60 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.358 ( 11.906 16.005 -1.961) 20.044 1.878 ( 9.556 8.826 6.989) 14.767 1.937 ( 10.635 13.928 6.605) 18.727 2.009 ( 11.661 10.742 12.026) 19.899 2.187 ( 6.098 6.090 -14.399) 16.781 2.245 ( 5.031 9.110 -15.349) 18.544 3.038 ( 5.622 4.882 11.723) 13.888 3.168 ( -3.225 1.432 0.572) 3.575 3.220 ( -1.520 -2.563 0.498) 3.021 3.264 ( 0.903 0.760 -1.935) 2.267 3.314 ( -1.507 -0.086 6.268) 6.447 3.614 ( 0.898 -4.172 -1.054) 4.395 3.820 ( 1.479 -3.264 2.143) 4.175 3.867 ( -4.018 0.475 -8.645) 9.545 4.098 ( 4.551 7.087 1.035) 8.486 4.608 ( -3.522 -4.230 -3.634) 6.595 4.921 ( -6.517 -5.213 5.504) 9.997 5.022 ( -2.826 1.006 0.575) 3.055 5.111 ( -1.119 -2.591 -2.371) 3.686 5.239 ( 2.963 -2.307 -4.936) 6.202 5.559 ( -1.092 -0.783 -1.109) 1.742 9.049 ( -3.029 0.623 0.690) 3.168 9.248 ( 3.197 1.454 0.321) 3.527 10.033 ( -1.224 -0.460 1.473) 1.970 10.309 ( 4.211 2.886 3.057) 5.950 10.547 ( -0.234 -2.765 -2.260) 3.578 10.720 ( 0.512 1.169 -2.165) 2.513 11.285 ( 0.585 3.273 1.143) 3.516 11.467 ( 5.189 5.515 -0.779) 7.612 12.415 ( -7.297 -10.207 2.684) 12.830 12.994 ( -5.115 -5.675 -2.002) 7.898 22.023 ( -0.615 0.684 0.021) 0.920 22.219 ( 1.847 -1.690 0.351) 2.528 22.369 ( 1.019 6.048 1.306) 6.271 22.509 ( 7.756 6.493 -3.518) 10.709 23.214 ( -5.245 -4.055 0.375) 6.640 23.290 ( 1.970 0.819 2.168) 3.041 23.516 ( 0.608 1.126 -1.585) 2.037 24.766 ( -11.031 -13.201 3.007) 17.464 ======================= Grid point 356 (106/116) ======================= q-point: ( 0.70 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.676 ( 8.392 11.904 -0.239) 14.566 2.100 ( 7.334 3.278 1.708) 8.212 2.207 ( 6.343 9.317 2.649) 11.578 2.315 ( 5.121 8.449 -8.921) 13.311 2.322 ( 8.633 8.192 7.681) 14.164 2.476 ( 11.875 9.052 -4.906) 15.717 3.044 ( -7.640 -2.612 1.977) 8.313 3.076 ( -7.720 -0.340 3.201) 8.364 3.202 ( 1.525 -4.267 0.409) 4.550 3.317 ( 2.446 3.342 -1.441) 4.385 3.403 ( 4.376 3.718 5.105) 7.683 3.606 ( 4.191 -2.138 -3.403) 5.807 3.729 ( -4.646 -0.624 -7.502) 8.846 3.807 ( -1.130 -5.575 4.923) 7.523 4.258 ( 5.057 6.001 2.279) 8.172 4.515 ( -2.379 -2.489 -0.213) 3.450 4.788 ( -4.270 -4.508 1.816) 6.470 4.991 ( -3.206 2.903 0.188) 4.329 5.031 ( -0.277 -7.050 -2.719) 7.561 5.239 ( -0.694 1.195 -2.572) 2.920 5.532 ( -0.786 -1.032 -0.024) 1.298 9.009 ( -3.204 1.497 1.494) 3.839 9.332 ( 4.905 -0.385 2.576) 5.554 10.012 ( -1.597 0.093 0.720) 1.754 10.400 ( 3.338 -0.501 1.244) 3.598 10.506 ( -0.198 -1.519 -2.830) 3.219 10.710 ( -0.614 -1.203 -1.957) 2.378 11.338 ( -0.092 4.760 1.366) 4.953 11.613 ( 5.432 5.394 -0.559) 7.676 12.198 ( -7.872 -6.744 -2.277) 10.614 12.871 ( -2.495 -4.265 0.586) 4.976 22.023 ( -0.449 0.876 0.442) 1.079 22.227 ( 1.603 -2.555 -0.435) 3.047 22.466 ( 2.481 5.708 1.666) 6.444 22.679 ( 5.897 6.003 -2.908) 8.903 23.065 ( -7.493 -3.128 -0.059) 8.120 23.357 ( 3.957 -0.125 1.711) 4.313 23.545 ( 1.809 1.583 0.527) 2.461 24.455 ( -11.195 -11.603 0.732) 16.139 ======================= Grid point 364 (107/116) ======================= q-point: ( 0.50 0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.089 ( -0.000 20.978 -4.242) 21.402 1.609 ( -0.000 29.711 -3.544) 29.921 1.762 ( 0.000 10.540 18.056) 20.907 1.767 ( 0.000 11.026 16.722) 20.030 2.090 ( -0.000 5.125 -17.524) 18.258 2.183 ( -0.000 9.430 -19.241) 21.428 2.925 ( 0.000 7.841 16.412) 18.189 3.167 ( -0.000 3.106 -2.208) 3.811 3.205 ( 0.000 -3.750 2.738) 4.643 3.266 ( -0.000 -0.941 -1.727) 1.967 3.389 ( 0.000 -2.295 5.706) 6.150 3.647 ( 0.000 -2.366 2.837) 3.695 3.739 ( 0.000 -1.967 -0.122) 1.971 3.948 ( -0.000 1.814 -8.482) 8.674 4.011 ( -0.000 8.400 -1.559) 8.543 4.690 ( -0.000 -6.758 -3.078) 7.426 5.040 ( -0.000 -2.981 -2.231) 3.724 5.088 ( 0.000 -0.521 2.152) 2.214 5.130 ( 0.000 -0.778 3.685) 3.766 5.184 ( -0.000 -3.993 -5.291) 6.629 5.553 ( -0.000 -1.377 -1.707) 2.193 9.079 ( -0.000 -2.233 -1.256) 2.562 9.226 ( -0.000 5.358 -1.475) 5.558 10.053 ( 0.000 -1.301 1.321) 1.854 10.228 ( 0.000 5.840 3.737) 6.933 10.547 ( 0.000 -2.542 0.997) 2.731 10.710 ( -0.000 2.366 -3.067) 3.874 11.269 ( -0.000 1.826 -0.931) 2.049 11.362 ( -0.000 6.686 0.589) 6.712 12.556 ( 0.000 -15.748 7.234) 17.330 13.107 ( -0.000 -6.750 -3.732) 7.713 22.029 ( -0.000 -0.187 -1.067) 1.083 22.246 ( 0.000 0.080 1.199) 1.202 22.288 ( -0.000 8.963 -2.309) 9.256 22.356 ( -0.000 5.556 0.917) 5.631 23.235 ( 0.000 -2.734 2.796) 3.910 23.330 ( -0.000 -0.858 -1.258) 1.523 23.510 ( -0.000 1.206 -1.877) 2.231 24.985 ( 0.000 -16.550 2.957) 16.812 ======================= Grid point 365 (108/116) ======================= q-point: ( 0.60 0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.353 ( 7.663 18.581 -1.400) 20.148 1.892 ( 4.205 14.459 2.857) 15.326 1.993 ( 4.895 12.980 12.455) 18.643 2.029 ( 5.942 14.413 11.149) 19.166 2.104 ( 3.759 8.314 -13.702) 16.462 2.221 ( 2.043 11.664 -14.941) 19.064 3.075 ( 1.861 5.216 7.795) 9.562 3.176 ( 3.196 -3.453 -0.717) 4.760 3.210 ( -0.620 1.245 -0.426) 1.454 3.249 ( -0.598 -0.093 0.412) 0.732 3.374 ( -1.054 -0.132 1.681) 1.988 3.592 ( -3.553 -2.657 0.427) 4.457 3.756 ( 2.994 -3.924 4.320) 6.559 3.899 ( -2.940 0.404 -7.143) 7.735 4.113 ( 2.617 8.343 -1.145) 8.818 4.597 ( -2.046 -4.753 -2.257) 5.645 4.975 ( -3.675 -7.051 -1.053) 8.021 5.033 ( -0.697 -1.820 -0.331) 1.976 5.103 ( 0.230 -5.852 -2.872) 6.523 5.175 ( -0.207 2.109 3.981) 4.510 5.552 ( 0.515 -0.374 -0.240) 0.680 9.061 ( 1.093 -1.784 -0.926) 2.288 9.259 ( -1.232 4.667 -1.357) 5.014 10.042 ( -0.151 -1.271 0.392) 1.339 10.313 ( 1.143 4.806 2.596) 5.581 10.523 ( -0.616 -2.479 0.966) 2.731 10.717 ( 0.146 0.833 -1.772) 1.964 11.298 ( 1.606 2.600 -0.668) 3.128 11.460 ( 2.652 7.152 0.257) 7.632 12.404 ( -3.307 -13.249 4.164) 14.277 12.995 ( -3.131 -6.484 -2.161) 7.518 22.028 ( 0.446 0.026 -0.630) 0.772 22.217 ( -2.102 0.378 0.574) 2.211 22.394 ( 3.093 4.156 -2.178) 5.620 22.471 ( 3.838 9.659 1.740) 10.538 23.204 ( 0.075 -6.279 1.686) 6.501 23.313 ( -1.620 2.124 -0.892) 2.817 23.516 ( 0.154 1.552 -1.615) 2.245 24.775 ( -5.750 -16.378 1.769) 17.448 ======================= Grid point 366 (109/116) ======================= q-point: ( 0.70 0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.666 ( 8.477 14.682 -0.000) 16.954 2.054 ( 3.282 5.685 -0.000) 6.564 2.208 ( 5.334 9.239 0.000) 10.668 2.297 ( 6.405 11.095 -0.000) 12.811 2.299 ( 6.638 11.498 0.000) 13.277 2.399 ( 7.634 13.223 -0.000) 15.269 3.098 ( -2.182 -3.779 -0.000) 4.363 3.167 ( -2.267 -3.926 0.000) 4.533 3.227 ( 1.239 2.146 0.000) 2.479 3.245 ( 0.404 0.699 -0.000) 0.807 3.427 ( 3.558 6.162 -0.000) 7.115 3.507 ( -2.085 -3.612 -0.000) 4.171 3.765 ( -1.602 -2.775 0.000) 3.205 3.790 ( -2.865 -4.962 -0.000) 5.729 4.250 ( 4.203 7.280 -0.000) 8.407 4.520 ( -1.625 -2.814 -0.000) 3.250 4.824 ( -4.110 -7.119 -0.000) 8.220 4.970 ( -3.254 -5.637 -0.000) 6.509 5.059 ( 0.132 0.229 -0.000) 0.264 5.222 ( 1.490 2.581 -0.000) 2.980 5.539 ( -1.024 -1.773 -0.000) 2.047 9.066 ( 0.185 0.320 -0.000) 0.370 9.275 ( 0.614 1.064 -0.000) 1.229 10.030 ( -0.211 -0.365 -0.000) 0.422 10.365 ( 0.502 0.869 -0.000) 1.003 10.490 ( -0.855 -1.480 -0.000) 1.709 10.707 ( -0.707 -1.224 -0.000) 1.413 11.372 ( 2.608 4.517 -0.000) 5.216 11.590 ( 3.942 6.828 -0.000) 7.885 12.229 ( -5.054 -8.754 -0.000) 10.109 12.871 ( -3.136 -5.433 -0.000) 6.273 22.037 ( 0.322 0.558 -0.000) 0.644 22.192 ( -0.625 -1.082 -0.000) 1.249 22.483 ( 2.800 4.850 0.000) 5.600 22.647 ( 4.761 8.246 -0.000) 9.522 23.128 ( -2.652 -4.593 -0.000) 5.304 23.314 ( 0.295 0.511 0.000) 0.590 23.538 ( 1.072 1.857 -0.000) 2.145 24.496 ( -8.432 -14.605 -0.000) 16.865 ======================= Grid point 376 (110/116) ======================= q-point: ( 0.60 0.60 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( -0.000 17.294 -0.368) 17.298 2.016 ( -0.000 11.801 3.661) 12.356 2.090 ( -0.000 8.584 -11.321) 14.207 2.121 ( 0.000 10.187 13.088) 16.585 2.196 ( -0.000 16.158 1.376) 16.217 2.276 ( -0.000 16.104 -6.421) 17.336 3.082 ( 0.000 -7.381 0.867) 7.432 3.119 ( 0.000 0.313 0.640) 0.712 3.244 ( -0.000 2.279 0.573) 2.350 3.255 ( -0.000 1.391 0.425) 1.454 3.371 ( -0.000 2.628 -6.162) 6.699 3.638 ( 0.000 -0.996 2.396) 2.595 3.705 ( 0.000 -4.057 8.035) 9.001 3.894 ( -0.000 -1.359 -5.588) 5.751 4.166 ( -0.000 8.522 -2.548) 8.894 4.564 ( 0.000 -3.906 -0.956) 4.021 4.910 ( -0.000 -9.759 -6.005) 11.458 4.970 ( 0.000 -2.609 -0.547) 2.666 5.096 ( 0.000 -0.858 2.406) 2.554 5.214 ( 0.000 -1.052 6.204) 6.293 5.541 ( -0.000 -0.517 -0.229) 0.566 9.015 ( -0.000 -2.510 -1.763) 3.067 9.320 ( -0.000 5.558 -2.660) 6.162 10.025 ( 0.000 -1.755 -0.530) 1.833 10.372 ( -0.000 5.424 1.421) 5.607 10.519 ( 0.000 -2.058 3.074) 3.699 10.715 ( -0.000 0.100 -0.439) 0.451 11.292 ( -0.000 1.581 -1.729) 2.343 11.516 ( -0.000 7.704 0.656) 7.732 12.317 ( 0.000 -12.903 4.179) 13.562 12.951 ( 0.000 -5.828 -1.701) 6.071 22.017 ( -0.000 -0.110 -0.733) 0.741 22.258 ( 0.000 0.034 0.994) 0.995 22.384 ( -0.000 5.395 -3.272) 6.310 22.553 ( -0.000 9.285 3.652) 9.977 23.136 ( 0.000 -7.746 0.801) 7.788 23.349 ( -0.000 2.989 -1.253) 3.241 23.525 ( -0.000 2.056 -1.700) 2.668 24.661 ( 0.000 -16.963 0.522) 16.971 ======================= Grid point 457 (111/116) ======================= q-point: ( 0.40 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.464 ( -0.000 0.000 -15.420) 15.420 0.464 ( -0.000 0.000 -15.420) 15.420 1.420 ( 0.000 -0.000 24.152) 24.152 1.420 ( 0.000 -0.000 24.152) 24.152 2.080 ( -0.000 0.000 -22.312) 22.312 2.080 ( -0.000 0.000 -22.312) 22.312 2.643 ( 0.000 -0.000 29.076) 29.076 3.065 ( -0.000 0.000 -0.707) 0.707 3.300 ( 0.000 -0.000 0.882) 0.882 3.300 ( 0.000 -0.000 0.882) 0.882 3.421 ( 0.000 -0.000 8.763) 8.763 3.704 ( 0.000 -0.000 1.348) 1.348 3.704 ( 0.000 -0.000 1.348) 1.348 3.815 ( 0.000 -0.000 0.536) 0.536 3.947 ( -0.000 0.000 -14.945) 14.945 4.944 ( 0.000 -0.000 2.212) 2.212 5.075 ( 0.000 -0.000 1.088) 1.088 5.075 ( 0.000 -0.000 1.088) 1.088 5.144 ( -0.000 0.000 -3.364) 3.364 5.144 ( -0.000 0.000 -3.364) 3.364 5.679 ( -0.000 0.000 -8.355) 8.355 9.125 ( -0.000 0.000 -0.291) 0.291 9.125 ( -0.000 0.000 -0.291) 0.291 10.067 ( 0.000 -0.000 2.914) 2.914 10.067 ( 0.000 -0.000 2.914) 2.914 10.622 ( -0.000 0.000 -1.333) 1.333 10.622 ( -0.000 0.000 -1.333) 1.333 11.221 ( 0.000 0.000 0.007) 0.007 11.221 ( -0.000 -0.000 0.007) 0.007 12.952 ( 0.000 -0.000 6.661) 6.661 13.296 ( -0.000 0.000 -4.914) 4.914 22.033 ( -0.000 0.000 -0.725) 0.725 22.033 ( -0.000 0.000 -0.725) 0.725 22.246 ( 0.000 -0.000 0.686) 0.686 22.246 ( 0.000 -0.000 0.686) 0.686 23.221 ( 0.000 -0.000 1.629) 1.629 23.407 ( 0.000 -0.000 0.888) 0.888 23.502 ( -0.000 0.000 -0.406) 0.406 25.390 ( -0.000 0.000 -0.089) 0.089 ======================= Grid point 458 (112/116) ======================= q-point: ( 0.50 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.646 ( 17.473 10.088 -6.444) 21.180 0.933 ( 30.807 17.787 -7.199) 36.294 1.600 ( 5.367 3.099 21.615) 22.486 1.607 ( 6.683 3.858 22.363) 23.657 2.006 ( 2.843 1.641 -21.317) 21.568 2.017 ( 3.257 1.880 -22.145) 22.462 2.800 ( 3.562 2.056 19.720) 20.145 3.092 ( 2.324 1.342 -0.607) 2.752 3.276 ( -1.441 -0.832 0.467) 1.728 3.296 ( -1.140 -0.658 -0.700) 1.491 3.433 ( -2.530 -1.461 8.250) 8.753 3.695 ( -0.945 -0.545 1.307) 1.702 3.763 ( 3.745 2.162 1.726) 4.656 3.863 ( 3.757 2.169 0.318) 4.350 3.882 ( 0.122 0.071 -13.659) 13.660 4.850 ( -6.775 -3.912 -0.835) 7.868 5.055 ( -1.513 -0.873 1.136) 2.084 5.103 ( -0.506 -0.292 4.234) 4.274 5.141 ( 0.096 0.055 -3.083) 3.085 5.166 ( 2.971 1.715 -2.040) 3.991 5.623 ( -1.493 -0.862 -6.501) 6.726 9.103 ( -1.551 -0.896 0.407) 1.837 9.151 ( 1.993 1.151 -0.669) 2.396 10.068 ( -0.744 -0.429 2.156) 2.321 10.129 ( 3.980 2.298 2.115) 5.059 10.614 ( -0.683 -0.394 -2.069) 2.214 10.634 ( 1.826 1.054 -0.480) 2.163 11.225 ( 0.609 0.351 0.683) 0.980 11.267 ( 3.574 2.063 -0.623) 4.173 12.858 ( -9.619 -5.554 5.418) 12.358 13.222 ( -4.318 -2.493 -3.703) 6.210 22.024 ( -0.308 -0.178 -0.076) 0.364 22.110 ( 5.913 3.414 -0.635) 6.857 22.255 ( 0.311 0.179 -0.046) 0.362 22.276 ( 2.909 1.679 -0.070) 3.359 23.238 ( 0.923 0.533 1.297) 1.679 23.381 ( -2.632 -1.520 0.652) 3.108 23.497 ( -0.097 -0.056 -0.648) 0.658 25.272 ( -9.585 -5.534 1.174) 11.130 ======================= Grid point 459 (113/116) ======================= q-point: ( 0.60 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( 18.777 10.841 -1.148) 21.712 1.590 ( 26.074 15.054 -1.153) 30.129 1.846 ( 7.558 4.364 16.858) 18.983 1.914 ( 10.932 6.311 17.834) 21.849 2.018 ( 6.220 3.591 -17.943) 19.327 2.024 ( 6.389 3.689 -18.620) 20.029 2.990 ( 6.752 3.898 8.328) 11.409 3.148 ( 1.593 0.920 0.517) 1.911 3.243 ( -2.194 -1.266 -2.651) 3.667 3.249 ( -0.660 -0.381 -0.566) 0.950 3.388 ( -3.995 -2.306 6.909) 8.307 3.671 ( -1.319 -0.762 -0.335) 1.560 3.811 ( -1.392 -0.803 -10.686) 10.806 3.857 ( 2.253 1.301 4.018) 4.787 3.989 ( 6.625 3.825 1.423) 7.781 4.681 ( -6.418 -3.705 -1.748) 7.614 5.017 ( -2.111 -1.219 1.027) 2.645 5.055 ( -6.217 -3.589 8.020) 10.764 5.123 ( -0.467 -0.270 -2.734) 2.787 5.223 ( 2.512 1.450 -4.826) 5.631 5.565 ( -1.217 -0.703 -3.230) 3.522 9.061 ( -2.268 -1.309 1.163) 2.866 9.214 ( 3.615 2.087 0.293) 4.184 10.053 ( -1.248 -0.720 1.283) 1.930 10.251 ( 5.528 3.191 0.783) 6.430 10.575 ( -1.650 -0.953 -2.756) 3.351 10.684 ( 2.148 1.240 0.128) 2.484 11.253 ( 1.284 0.741 1.352) 2.007 11.373 ( 5.768 3.330 -0.930) 6.725 12.606 ( -12.554 -7.248 0.730) 14.514 13.083 ( -6.205 -3.583 -0.835) 7.213 22.018 ( -0.244 -0.141 0.451) 0.532 22.255 ( 5.570 3.216 2.110) 6.769 22.259 ( 0.199 0.115 -0.659) 0.698 22.385 ( 7.116 4.108 -2.955) 8.732 23.262 ( -1.342 -0.775 -0.928) 1.807 23.305 ( -2.013 -1.162 2.437) 3.368 23.499 ( 0.542 0.313 -0.384) 0.734 24.996 ( -14.027 -8.098 1.282) 16.248 ======================= Grid point 469 (114/116) ======================= q-point: ( 0.50 0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.633 ( -0.000 21.236 -4.773) 21.766 0.904 ( -0.000 36.728 -3.324) 36.878 1.697 ( 0.000 5.275 22.122) 22.742 1.704 ( 0.000 5.316 21.790) 22.429 1.905 ( -0.000 3.727 -21.314) 21.637 1.924 ( -0.000 5.905 -22.199) 22.970 2.872 ( 0.000 3.530 10.586) 11.159 3.091 ( -0.000 2.840 -0.457) 2.876 3.281 ( 0.000 -2.194 1.378) 2.591 3.286 ( -0.000 -1.705 -1.120) 2.040 3.472 ( 0.000 -2.456 5.335) 5.873 3.698 ( 0.000 -1.526 0.916) 1.780 3.747 ( 0.000 1.631 2.280) 2.803 3.844 ( -0.000 3.070 -9.879) 10.345 3.868 ( -0.000 4.921 -0.466) 4.943 4.844 ( 0.000 -8.518 -0.118) 8.519 5.078 ( -0.000 -1.802 -2.098) 2.766 5.105 ( 0.000 -0.181 1.882) 1.891 5.114 ( 0.000 2.545 2.331) 3.451 5.179 ( -0.000 2.351 -3.030) 3.835 5.591 ( -0.000 -2.697 -2.559) 3.717 9.111 ( -0.000 -1.351 -0.708) 1.525 9.145 ( -0.000 2.424 0.096) 2.426 10.079 ( 0.000 -0.736 0.742) 1.045 10.132 ( -0.000 4.397 1.584) 4.673 10.594 ( 0.000 -1.593 0.671) 1.728 10.644 ( -0.000 2.488 -1.779) 3.059 11.235 ( -0.000 1.166 -0.611) 1.316 11.258 ( -0.000 3.776 0.565) 3.819 12.874 ( 0.000 -11.800 3.554) 12.324 13.211 ( -0.000 -4.556 -2.356) 5.129 22.028 ( -0.000 -0.104 -0.648) 0.656 22.107 ( -0.000 7.362 -0.205) 7.365 22.249 ( 0.000 0.039 0.730) 0.731 22.278 ( -0.000 2.610 -0.210) 2.618 23.242 ( 0.000 0.983 0.759) 1.242 23.384 ( 0.000 -2.778 0.152) 2.782 23.496 ( -0.000 -0.124 -0.436) 0.454 25.276 ( 0.000 -10.736 0.569) 10.751 ======================= Grid point 470 (115/116) ======================= q-point: ( 0.60 0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.954 ( 11.453 19.837 -0.000) 22.906 1.411 ( 16.349 28.318 -0.000) 32.698 1.879 ( 3.476 6.021 0.000) 6.952 1.892 ( 3.502 6.065 -0.000) 7.003 1.910 ( 4.240 7.344 0.000) 8.480 1.936 ( 4.719 8.173 -0.000) 9.438 2.971 ( 3.262 5.650 0.000) 6.524 3.138 ( 1.781 3.085 -0.000) 3.562 3.242 ( -1.216 -2.107 -0.000) 2.432 3.269 ( -0.750 -1.299 0.000) 1.499 3.434 ( -1.920 -3.326 -0.000) 3.841 3.656 ( -1.801 -3.120 -0.000) 3.602 3.822 ( 0.376 0.651 0.000) 0.752 3.824 ( 1.343 2.326 -0.000) 2.685 3.960 ( 3.730 6.461 -0.000) 7.460 4.717 ( -4.130 -7.154 -0.000) 8.261 5.059 ( -0.741 -1.283 -0.000) 1.481 5.079 ( -1.647 -2.853 -0.000) 3.294 5.147 ( 0.696 1.206 -0.000) 1.393 5.175 ( -0.778 -1.348 -0.000) 1.556 5.561 ( -0.514 -0.891 -0.000) 1.029 9.089 ( -0.691 -1.197 -0.000) 1.382 9.184 ( 1.511 2.618 -0.000) 3.023 10.066 ( -0.573 -0.993 -0.000) 1.147 10.215 ( 2.923 5.063 -0.000) 5.847 10.572 ( -1.087 -1.882 -0.000) 2.174 10.676 ( 1.349 2.337 -0.000) 2.698 11.253 ( 0.934 1.618 -0.000) 1.869 11.334 ( 3.023 5.237 -0.000) 6.047 12.684 ( -7.391 -12.802 -0.000) 14.783 13.119 ( -3.396 -5.882 -0.000) 6.791 22.025 ( 0.023 0.040 -0.000) 0.046 22.196 ( 1.606 2.781 -0.000) 3.212 22.299 ( 3.492 6.048 -0.000) 6.983 22.320 ( 1.814 3.142 -0.000) 3.628 23.265 ( 0.796 1.379 -0.000) 1.592 23.326 ( -2.459 -4.259 -0.000) 4.918 23.495 ( 0.199 0.345 -0.000) 0.398 25.083 ( -7.650 -13.250 -0.000) 15.300 ======================= Grid point 580 (116/116) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 58 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.332 ( 0.000 -0.000 0.000) 0.000 0.332 ( 0.000 -0.000 0.000) 0.000 1.743 ( -0.000 0.000 -0.000) 0.000 1.743 ( -0.000 0.000 -0.000) 0.000 1.769 ( 0.000 -0.000 0.000) 0.000 1.769 ( 0.000 -0.000 0.000) 0.000 2.867 ( 0.000 -0.000 0.000) 0.000 3.060 ( 0.000 -0.000 0.000) 0.000 3.306 ( 0.000 -0.000 0.000) 0.000 3.306 ( 0.000 -0.000 0.000) 0.000 3.516 ( -0.000 0.000 -0.000) 0.000 3.713 ( 0.000 -0.000 0.000) 0.000 3.713 ( 0.000 -0.000 0.000) 0.000 3.791 ( 0.000 -0.000 0.000) 0.000 3.819 ( 0.000 -0.000 0.000) 0.000 4.965 ( 0.000 -0.000 0.000) 0.000 5.092 ( 0.000 -0.000 0.000) 0.000 5.092 ( 0.000 -0.000 0.000) 0.000 5.111 ( 0.000 -0.000 0.000) 0.000 5.111 ( 0.000 -0.000 0.000) 0.000 5.614 ( 0.000 -0.000 0.000) 0.000 9.123 ( 0.000 -0.000 0.000) 0.000 9.123 ( 0.000 -0.000 0.000) 0.000 10.088 ( 0.000 -0.000 0.000) 0.000 10.088 ( 0.000 -0.000 0.000) 0.000 10.612 ( 0.000 -0.000 0.000) 0.000 10.612 ( 0.000 -0.000 0.000) 0.000 11.221 ( 0.000 -0.000 0.000) 0.000 11.221 ( 0.000 -0.000 0.000) 0.000 13.008 ( -0.000 0.000 -0.000) 0.000 13.253 ( 0.000 -0.000 0.000) 0.000 22.027 ( 0.000 -0.000 0.000) 0.000 22.027 ( 0.000 -0.000 0.000) 0.000 22.251 ( 0.000 -0.000 0.000) 0.000 22.251 ( 0.000 -0.000 0.000) 0.000 23.233 ( 0.000 -0.000 0.000) 0.000 23.412 ( 0.000 -0.000 0.000) 0.000 23.500 ( 0.000 -0.000 0.000) 0.000 25.389 ( 0.000 -0.000 0.000) 0.000 =================== 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 3/39000 10.0 496.613 496.613 295.946 0.000 -0.000 -0.000 3/39000 20.0 144.635 144.635 99.915 0.000 -0.000 -0.000 3/39000 30.0 70.227 70.227 48.163 0.000 -0.000 -0.000 3/39000 40.0 42.984 42.984 30.018 0.000 -0.000 -0.000 3/39000 50.0 30.221 30.221 21.540 0.000 -0.000 -0.000 3/39000 60.0 23.175 23.175 16.785 0.000 -0.000 -0.000 3/39000 70.0 18.791 18.791 13.771 0.000 -0.000 -0.000 3/39000 80.0 15.820 15.820 11.692 0.000 -0.000 -0.000 3/39000 90.0 13.678 13.678 10.172 0.000 -0.000 -0.000 3/39000 100.0 12.061 12.061 9.011 0.000 -0.000 -0.000 3/39000 110.0 10.797 10.797 8.096 0.000 -0.000 -0.000 3/39000 120.0 9.783 9.783 7.355 0.000 -0.000 -0.000 3/39000 130.0 8.950 8.950 6.745 0.000 -0.000 -0.000 3/39000 140.0 8.254 8.254 6.232 0.000 -0.000 -0.000 3/39000 150.0 7.663 7.663 5.797 0.000 -0.000 -0.000 3/39000 160.0 7.156 7.156 5.423 0.000 -0.000 -0.000 3/39000 170.0 6.716 6.716 5.098 0.000 -0.000 -0.000 3/39000 180.0 6.330 6.330 4.813 0.000 -0.000 -0.000 3/39000 190.0 5.989 5.989 4.562 0.000 -0.000 -0.000 3/39000 200.0 5.685 5.685 4.339 0.000 -0.000 -0.000 3/39000 210.0 5.413 5.413 4.139 0.000 -0.000 -0.000 3/39000 220.0 5.168 5.168 3.959 0.000 -0.000 -0.000 3/39000 230.0 4.945 4.945 3.797 0.000 -0.000 -0.000 3/39000 240.0 4.743 4.743 3.649 0.000 -0.000 -0.000 3/39000 250.0 4.557 4.557 3.513 0.000 -0.000 -0.000 3/39000 260.0 4.387 4.387 3.389 0.000 -0.000 -0.000 3/39000 270.0 4.230 4.230 3.275 0.000 -0.000 -0.000 3/39000 280.0 4.085 4.085 3.168 0.000 -0.000 -0.000 3/39000 290.0 3.949 3.949 3.070 0.000 -0.000 -0.000 3/39000 300.0 3.824 3.824 2.978 0.000 -0.000 -0.000 3/39000 310.0 3.706 3.706 2.892 0.000 -0.000 -0.000 3/39000 320.0 3.596 3.596 2.811 0.000 -0.000 -0.000 3/39000 330.0 3.492 3.492 2.736 0.000 -0.000 -0.000 3/39000 340.0 3.395 3.395 2.664 0.000 -0.000 -0.000 3/39000 350.0 3.303 3.303 2.597 0.000 -0.000 -0.000 3/39000 360.0 3.216 3.216 2.533 0.000 -0.000 -0.000 3/39000 370.0 3.134 3.134 2.472 0.000 -0.000 -0.000 3/39000 380.0 3.056 3.056 2.415 0.000 -0.000 -0.000 3/39000 390.0 2.982 2.982 2.360 0.000 -0.000 -0.000 3/39000 400.0 2.912 2.912 2.307 0.000 -0.000 -0.000 3/39000 410.0 2.845 2.845 2.258 0.000 -0.000 -0.000 3/39000 420.0 2.781 2.781 2.210 0.000 -0.000 -0.000 3/39000 430.0 2.720 2.720 2.164 0.000 -0.000 -0.000 3/39000 440.0 2.662 2.662 2.120 0.000 -0.000 -0.000 3/39000 450.0 2.606 2.606 2.079 0.000 -0.000 -0.000 3/39000 460.0 2.552 2.552 2.038 0.000 -0.000 -0.000 3/39000 470.0 2.501 2.501 1.999 0.000 -0.000 -0.000 3/39000 480.0 2.452 2.452 1.962 0.000 -0.000 -0.000 3/39000 490.0 2.404 2.404 1.926 0.000 -0.000 -0.000 3/39000 500.0 2.359 2.359 1.892 0.000 -0.000 -0.000 3/39000 510.0 2.315 2.315 1.858 0.000 -0.000 -0.000 3/39000 520.0 2.273 2.273 1.826 0.000 -0.000 -0.000 3/39000 530.0 2.232 2.232 1.795 0.000 -0.000 -0.000 3/39000 540.0 2.193 2.193 1.765 0.000 -0.000 -0.000 3/39000 550.0 2.155 2.155 1.736 0.000 -0.000 -0.000 3/39000 560.0 2.118 2.118 1.708 0.000 -0.000 -0.000 3/39000 570.0 2.083 2.083 1.681 0.000 -0.000 -0.000 3/39000 580.0 2.049 2.049 1.654 0.000 -0.000 -0.000 3/39000 590.0 2.016 2.016 1.629 0.000 -0.000 -0.000 3/39000 600.0 1.983 1.983 1.604 0.000 -0.000 -0.000 3/39000 610.0 1.952 1.952 1.580 0.000 -0.000 -0.000 3/39000 620.0 1.922 1.922 1.556 0.000 -0.000 -0.000 3/39000 630.0 1.893 1.893 1.534 0.000 -0.000 -0.000 3/39000 640.0 1.865 1.865 1.512 0.000 -0.000 -0.000 3/39000 650.0 1.837 1.837 1.490 0.000 -0.000 -0.000 3/39000 660.0 1.811 1.811 1.469 0.000 -0.000 -0.000 3/39000 670.0 1.785 1.785 1.449 0.000 -0.000 -0.000 3/39000 680.0 1.760 1.760 1.429 0.000 -0.000 -0.000 3/39000 690.0 1.735 1.735 1.410 0.000 -0.000 -0.000 3/39000 700.0 1.711 1.711 1.392 0.000 -0.000 -0.000 3/39000 710.0 1.688 1.688 1.373 0.000 -0.000 -0.000 3/39000 720.0 1.665 1.665 1.356 0.000 -0.000 -0.000 3/39000 730.0 1.643 1.643 1.338 0.000 -0.000 -0.000 3/39000 740.0 1.622 1.622 1.321 0.000 -0.000 -0.000 3/39000 750.0 1.601 1.601 1.305 0.000 -0.000 -0.000 3/39000 760.0 1.581 1.581 1.289 0.000 -0.000 -0.000 3/39000 770.0 1.561 1.561 1.273 0.000 -0.000 -0.000 3/39000 780.0 1.542 1.542 1.258 0.000 -0.000 -0.000 3/39000 790.0 1.523 1.523 1.243 0.000 -0.000 -0.000 3/39000 800.0 1.504 1.504 1.228 0.000 -0.000 -0.000 3/39000 810.0 1.487 1.487 1.214 0.000 -0.000 -0.000 3/39000 820.0 1.469 1.469 1.200 0.000 -0.000 -0.000 3/39000 830.0 1.452 1.452 1.187 0.000 -0.000 -0.000 3/39000 840.0 1.435 1.435 1.173 0.000 -0.000 -0.000 3/39000 850.0 1.419 1.419 1.160 0.000 -0.000 -0.000 3/39000 860.0 1.403 1.403 1.148 0.000 -0.000 -0.000 3/39000 870.0 1.387 1.387 1.135 0.000 -0.000 -0.000 3/39000 880.0 1.372 1.372 1.123 0.000 -0.000 -0.000 3/39000 890.0 1.357 1.357 1.111 0.000 -0.000 -0.000 3/39000 900.0 1.342 1.342 1.099 0.000 -0.000 -0.000 3/39000 910.0 1.328 1.328 1.088 0.000 -0.000 -0.000 3/39000 920.0 1.314 1.314 1.076 0.000 -0.000 -0.000 3/39000 930.0 1.300 1.300 1.065 0.000 -0.000 -0.000 3/39000 940.0 1.287 1.287 1.055 0.000 -0.000 -0.000 3/39000 950.0 1.273 1.273 1.044 0.000 -0.000 -0.000 3/39000 960.0 1.260 1.260 1.034 0.000 -0.000 -0.000 3/39000 970.0 1.248 1.248 1.024 0.000 -0.000 -0.000 3/39000 980.0 1.235 1.235 1.014 0.000 -0.000 -0.000 3/39000 990.0 1.223 1.223 1.004 0.000 -0.000 -0.000 3/39000 1000.0 1.211 1.211 0.994 0.000 -0.000 -0.000 3/39000 Thermal conductivity related properties were written into "kappa-m101010.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:34:20]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|