----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 00:26:34]------------------------- 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-3 (148) Number of symmetry operations in supercell: 18 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.782505353870496 2.761180753457951 3.778720023333329 b -4.782505353870485 2.761180753457951 3.778720023333329 c 0.000000000000005 -5.522361506915910 3.778720023333329 Atomic positions (fractional): *1 O 0.06445769129873 0.29459955274832 0.92439136217643 15.999 2 O 0.92439136217643 0.06445769129873 0.29459955274832 15.999 3 O 0.29459955274832 0.92439136217643 0.06445769129873 15.999 4 O 0.93554230870127 0.70540044725169 0.07560863782357 15.999 5 O 0.07560863782357 0.93554230870127 0.70540044725168 15.999 6 O 0.70540044725168 0.07560863782357 0.93554230870127 15.999 *7 O 0.41215884964790 0.20442825843061 0.54108823408205 15.999 8 O 0.54108823408205 0.41215884964790 0.20442825843061 15.999 9 O 0.79557174156939 0.45891176591795 0.58784115035210 15.999 10 O 0.45891176591795 0.58784115035211 0.79557174156939 15.999 11 O 0.58784115035210 0.79557174156939 0.45891176591795 15.999 12 O 0.20442825843061 0.54108823408205 0.41215884964790 15.999 *13 Ca 0.44383900398133 0.93971614220445 0.74955968704545 40.078 14 Ca 0.93971614220445 0.74955968704545 0.44383900398133 40.078 15 Ca 0.25044031295455 0.55616099601867 0.06028385779555 40.078 16 Ca 0.06028385779555 0.25044031295455 0.55616099601867 40.078 17 Ca 0.55616099601867 0.06028385779555 0.25044031295455 40.078 18 Ca 0.74955968704545 0.44383900398134 0.93971614220445 40.078 *19 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 *20 U 0.50000000000000 0.50000000000000 0.50000000000000 238.029 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.565010707740981 0.000000000000000 0.000000000000000 b -4.782505353870491 8.283542260373862 0.000000000000000 c 0.000000000000000 0.000000000000000 11.336160070000000 Atomic positions (fractional): *1 O 0.63664148922424 0.50342483989806 0.42781620207449 15.999 > 1 2 O 0.49657516010194 0.13321664932618 0.42781620207449 15.999 > 2 3 O 0.86678335067382 0.36335851077576 0.42781620207449 15.999 > 3 4 O 0.36335851077576 0.49657516010194 0.57218379792551 15.999 > 4 5 O 0.50342483989806 0.86678335067382 0.57218379792551 15.999 > 5 6 O 0.13321664932618 0.63664148922424 0.57218379792551 15.999 > 6 *7 O 0.02626706892771 0.84480354663813 0.38589178072019 15.999 > 7 8 O 0.15519645336187 0.18146352228958 0.38589178072019 15.999 > 8 9 O 0.18146352228958 0.02626706892771 0.61410821927981 15.999 > 9 10 O 0.84480354663813 0.81853647771042 0.61410821927981 15.999 > 10 11 O 0.97373293107229 0.15519645336187 0.61410821927981 15.999 > 11 12 O 0.81853647771042 0.97373293107229 0.38589178072019 15.999 > 12 13 O 0.30330815589091 0.83675817323140 0.76114953540783 15.999 > 1 14 O 0.16324182676860 0.46654998265951 0.76114953540783 15.999 > 2 15 O 0.53345001734049 0.69669184410909 0.76114953540783 15.999 > 3 16 O 0.03002517744243 0.82990849343527 0.90551713125884 15.999 > 4 17 O 0.17009150656473 0.20011668400716 0.90551713125884 15.999 > 5 18 O 0.79988331599284 0.96997482255757 0.90551713125884 15.999 > 6 19 O 0.69293373559438 0.17813687997147 0.71922511405352 15.999 > 7 20 O 0.82186312002853 0.51479685562291 0.71922511405352 15.999 > 8 21 O 0.84813018895624 0.35960040226104 0.94744155261315 15.999 > 9 22 O 0.51147021330480 0.15186981104376 0.94744155261315 15.999 > 10 23 O 0.64039959773896 0.48852978669520 0.94744155261315 15.999 > 11 24 O 0.48520314437709 0.30706626440562 0.71922511405352 15.999 > 12 25 O 0.96997482255757 0.17009150656473 0.09448286874116 15.999 > 1 26 O 0.82990849343527 0.79988331599284 0.09448286874116 15.999 > 2 27 O 0.20011668400716 0.03002517744243 0.09448286874116 15.999 > 3 28 O 0.69669184410909 0.16324182676860 0.23885046459217 15.999 > 4 29 O 0.83675817323140 0.53345001734049 0.23885046459217 15.999 > 5 30 O 0.46654998265951 0.30330815589091 0.23885046459217 15.999 > 6 31 O 0.35960040226104 0.51147021330480 0.05255844738685 15.999 > 7 32 O 0.48852978669520 0.84813018895624 0.05255844738685 15.999 > 8 33 O 0.51479685562291 0.69293373559438 0.28077488594648 15.999 > 9 34 O 0.17813687997147 0.48520314437709 0.28077488594648 15.999 > 10 35 O 0.30706626440562 0.82186312002853 0.28077488594648 15.999 > 11 36 O 0.15186981104376 0.64039959773896 0.05255844738685 15.999 > 12 *37 Ca 0.73280072623759 0.96147859069830 0.71103827774374 40.078 > 13 38 Ca 0.22867786446071 0.26719927376241 0.71103827774374 40.078 > 14 39 Ca 0.96147859069830 0.22867786446071 0.28896172225626 40.078 > 15 40 Ca 0.77132213553929 0.73280072623759 0.28896172225626 40.078 > 16 41 Ca 0.26719927376241 0.03852140930170 0.28896172225626 40.078 > 17 42 Ca 0.03852140930170 0.77132213553929 0.71103827774374 40.078 > 18 43 Ca 0.39946739290426 0.29481192403163 0.04437161107708 40.078 > 13 44 Ca 0.89534453112737 0.60053260709574 0.04437161107708 40.078 > 14 45 Ca 0.62814525736496 0.56201119779404 0.62229505558959 40.078 > 15 46 Ca 0.43798880220596 0.06613405957092 0.62229505558959 40.078 > 16 47 Ca 0.93386594042908 0.37185474263504 0.62229505558959 40.078 > 17 48 Ca 0.70518807596837 0.10465546887263 0.04437161107708 40.078 > 18 49 Ca 0.06613405957092 0.62814525736496 0.37770494441041 40.078 > 13 50 Ca 0.56201119779404 0.93386594042908 0.37770494441041 40.078 > 14 51 Ca 0.29481192403163 0.89534453112737 0.95562838892292 40.078 > 15 52 Ca 0.10465546887263 0.39946739290426 0.95562838892292 40.078 > 16 53 Ca 0.60053260709574 0.70518807596837 0.95562838892292 40.078 > 17 54 Ca 0.37185474263504 0.43798880220596 0.37770494441041 40.078 > 18 *55 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 > 19 *56 U 0.00000000000000 0.00000000000000 0.50000000000000 238.029 > 20 57 U 0.66666666666667 0.33333333333333 0.33333333333333 238.029 > 19 58 U 0.66666666666667 0.33333333333333 0.83333333333333 238.029 > 20 59 U 0.33333333333333 0.66666666666667 0.66666666666667 238.029 > 19 60 U 0.33333333333333 0.66666666666667 0.16666666666667 238.029 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.565010707740981 0.000000000000000 0.000000000000000 b -4.782505353870491 8.283542260373862 0.000000000000000 c 0.000000000000000 0.000000000000000 11.336160070000000 Atomic positions (fractional): *1 O 0.63664148922424 0.50342483989806 0.42781620207449 15.999 > 1 2 O 0.49657516010194 0.13321664932618 0.42781620207449 15.999 > 2 3 O 0.86678335067382 0.36335851077576 0.42781620207449 15.999 > 3 4 O 0.36335851077576 0.49657516010194 0.57218379792551 15.999 > 4 5 O 0.50342483989806 0.86678335067382 0.57218379792551 15.999 > 5 6 O 0.13321664932618 0.63664148922424 0.57218379792551 15.999 > 6 *7 O 0.02626706892771 0.84480354663813 0.38589178072019 15.999 > 7 8 O 0.15519645336187 0.18146352228958 0.38589178072019 15.999 > 8 9 O 0.18146352228958 0.02626706892771 0.61410821927981 15.999 > 9 10 O 0.84480354663813 0.81853647771042 0.61410821927981 15.999 > 10 11 O 0.97373293107229 0.15519645336187 0.61410821927981 15.999 > 11 12 O 0.81853647771042 0.97373293107229 0.38589178072019 15.999 > 12 13 O 0.30330815589091 0.83675817323140 0.76114953540783 15.999 > 1 14 O 0.16324182676860 0.46654998265951 0.76114953540783 15.999 > 2 15 O 0.53345001734049 0.69669184410909 0.76114953540783 15.999 > 3 16 O 0.03002517744243 0.82990849343527 0.90551713125884 15.999 > 4 17 O 0.17009150656473 0.20011668400716 0.90551713125884 15.999 > 5 18 O 0.79988331599284 0.96997482255757 0.90551713125884 15.999 > 6 19 O 0.69293373559438 0.17813687997147 0.71922511405352 15.999 > 7 20 O 0.82186312002853 0.51479685562291 0.71922511405352 15.999 > 8 21 O 0.84813018895624 0.35960040226104 0.94744155261315 15.999 > 9 22 O 0.51147021330480 0.15186981104376 0.94744155261315 15.999 > 10 23 O 0.64039959773896 0.48852978669520 0.94744155261315 15.999 > 11 24 O 0.48520314437709 0.30706626440562 0.71922511405352 15.999 > 12 25 O 0.96997482255757 0.17009150656473 0.09448286874116 15.999 > 1 26 O 0.82990849343527 0.79988331599284 0.09448286874116 15.999 > 2 27 O 0.20011668400716 0.03002517744243 0.09448286874116 15.999 > 3 28 O 0.69669184410909 0.16324182676860 0.23885046459217 15.999 > 4 29 O 0.83675817323140 0.53345001734049 0.23885046459217 15.999 > 5 30 O 0.46654998265951 0.30330815589091 0.23885046459217 15.999 > 6 31 O 0.35960040226104 0.51147021330480 0.05255844738685 15.999 > 7 32 O 0.48852978669520 0.84813018895624 0.05255844738685 15.999 > 8 33 O 0.51479685562291 0.69293373559438 0.28077488594648 15.999 > 9 34 O 0.17813687997147 0.48520314437709 0.28077488594648 15.999 > 10 35 O 0.30706626440562 0.82186312002853 0.28077488594648 15.999 > 11 36 O 0.15186981104376 0.64039959773896 0.05255844738685 15.999 > 12 *37 Ca 0.73280072623759 0.96147859069830 0.71103827774374 40.078 > 13 38 Ca 0.22867786446071 0.26719927376241 0.71103827774374 40.078 > 14 39 Ca 0.96147859069830 0.22867786446071 0.28896172225626 40.078 > 15 40 Ca 0.77132213553929 0.73280072623759 0.28896172225626 40.078 > 16 41 Ca 0.26719927376241 0.03852140930170 0.28896172225626 40.078 > 17 42 Ca 0.03852140930170 0.77132213553929 0.71103827774374 40.078 > 18 43 Ca 0.39946739290426 0.29481192403163 0.04437161107708 40.078 > 13 44 Ca 0.89534453112737 0.60053260709574 0.04437161107708 40.078 > 14 45 Ca 0.62814525736496 0.56201119779404 0.62229505558959 40.078 > 15 46 Ca 0.43798880220596 0.06613405957092 0.62229505558959 40.078 > 16 47 Ca 0.93386594042908 0.37185474263504 0.62229505558959 40.078 > 17 48 Ca 0.70518807596837 0.10465546887263 0.04437161107708 40.078 > 18 49 Ca 0.06613405957092 0.62814525736496 0.37770494441041 40.078 > 13 50 Ca 0.56201119779404 0.93386594042908 0.37770494441041 40.078 > 14 51 Ca 0.29481192403163 0.89534453112737 0.95562838892292 40.078 > 15 52 Ca 0.10465546887263 0.39946739290426 0.95562838892292 40.078 > 16 53 Ca 0.60053260709574 0.70518807596837 0.95562838892292 40.078 > 17 54 Ca 0.37185474263504 0.43798880220596 0.37770494441041 40.078 > 18 *55 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 > 19 *56 U 0.00000000000000 0.00000000000000 0.50000000000000 238.029 > 20 57 U 0.66666666666667 0.33333333333333 0.33333333333333 238.029 > 19 58 U 0.66666666666667 0.33333333333333 0.83333333333333 238.029 > 20 59 U 0.33333333333333 0.66666666666667 0.66666666666667 238.029 > 19 60 U 0.33333333333333 0.66666666666667 0.16666666666667 238.029 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.9182638 -0.0000041 0.0000000 0.0000041 3.9182638 0.0000000 0.0000000 0.0000000 3.7755345 -------------------------- Born effective charges -------------------------- 1 O -2.0271962 0.7725392 0.6360169 0.7757597 -2.1511516 -0.7876461 0.6191605 -0.6314419 -2.0613848 2 O -1.4497297 -0.4423592 0.3641130 -0.4391387 -2.7286181 0.9446298 0.2372645 0.8519297 -2.0613848 3 O -2.7905958 -0.3350107 -1.0001300 -0.3317902 -1.3877520 -0.1569838 -0.8564250 -0.2204878 -2.0613848 4 O -2.0271962 0.7725392 0.6360169 0.7757597 -2.1511516 -0.7876461 0.6191605 -0.6314419 -2.0613848 5 O -1.4497297 -0.4423592 0.3641130 -0.4391387 -2.7286181 0.9446298 0.2372645 0.8519297 -2.0613848 6 O -2.7905958 -0.3350107 -1.0001300 -0.3317902 -1.3877520 -0.1569838 -0.8564250 -0.2204878 -2.0613848 7 O -1.9616149 0.6185500 0.5956650 0.6373231 -2.2965602 -0.9039776 0.6709208 -0.8458899 -1.9519889 8 O -1.6690149 -0.4683904 0.4850351 -0.4496173 -2.5891603 0.9678498 0.3971017 1.0039794 -1.9519889 9 O -2.7566329 -0.1783193 -1.0807000 -0.1595462 -1.5015422 -0.0638722 -1.0680226 -0.1580895 -1.9519889 10 O -1.6690149 -0.4683904 0.4850351 -0.4496173 -2.5891603 0.9678498 0.3971017 1.0039794 -1.9519889 11 O -1.9616149 0.6185500 0.5956650 0.6373231 -2.2965602 -0.9039776 0.6709208 -0.8458899 -1.9519889 12 O -2.7566329 -0.1783193 -1.0807000 -0.1595462 -1.5015422 -0.0638722 -1.0680226 -0.1580895 -1.9519889 13 Ca 2.6015254 0.1728118 0.0959990 0.0810532 2.3871771 0.1203678 -0.2818816 0.2290423 2.3645960 14 Ca 2.3308375 0.0752286 0.0562420 -0.0165301 2.6578651 -0.1433214 0.3392972 0.1295955 2.3645960 15 Ca 2.5506910 -0.1104024 -0.1522410 -0.2021611 2.4380116 0.0229537 -0.0574156 -0.3586378 2.3645960 16 Ca 2.3308375 0.0752286 0.0562420 -0.0165301 2.6578651 -0.1433214 0.3392972 0.1295955 2.3645960 17 Ca 2.6015254 0.1728118 0.0959990 0.0810532 2.3871771 0.1203678 -0.2818816 0.2290423 2.3645960 18 Ca 2.5506910 -0.1104024 -0.1522410 -0.2021611 2.4380116 0.0229537 -0.0574156 -0.3586378 2.3645960 19 U 5.6245777 -0.1730576 -0.0000000 0.1730576 5.6245777 0.0000000 0.0000000 0.0000000 4.0460722 20 U 4.7188834 -0.0362374 -0.0000000 0.0362374 4.7188834 0.0000000 0.0000000 0.0000000 5.8465943 ---------------------------------------------------------------------------- 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: 180/180 Permutation basis: 7026/7026 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 923 Number of blocks in projector: 430 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: 416 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 396 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 111 Use standard eigh solver. Tree of FC basis block matrices: - (923, 891), data: False |-- (111, 106), data: True |-- (396, 384), data: True |-- (416, 401), data: True ----- Solver_atoms: 1 -- 60 / 60 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 400 - Time: 0.512 Solver_block: 200 / 400 - Time: 0.520 Solver_block: 300 / 400 - Time: 0.516 Solver_block: 400 / 400 - Time: 0.518 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.085 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 180/180 Permutation basis: 7026/7026 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 923 Number of blocks in projector: 430 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: 416 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 396 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 111 Use standard eigh solver. Tree of FC basis block matrices: - (923, 891), data: False |-- (111, 106), data: True |-- (396, 384), data: True |-- (416, 401), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 00:26:45]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:26:46]------------------------- 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-3 (148) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.782505353870496 2.761180753457951 3.778720023333329 b -4.782505353870485 2.761180753457951 3.778720023333329 c 0.000000000000005 -5.522361506915910 3.778720023333329 Atomic positions (fractional): 1 O 0.06445769129873 0.29459955274832 0.92439136217643 15.999 2 O 0.92439136217643 0.06445769129873 0.29459955274832 15.999 3 O 0.29459955274832 0.92439136217643 0.06445769129873 15.999 4 O 0.93554230870127 0.70540044725169 0.07560863782357 15.999 5 O 0.07560863782357 0.93554230870127 0.70540044725168 15.999 6 O 0.70540044725168 0.07560863782357 0.93554230870127 15.999 7 O 0.41215884964790 0.20442825843061 0.54108823408205 15.999 8 O 0.54108823408205 0.41215884964790 0.20442825843061 15.999 9 O 0.79557174156939 0.45891176591795 0.58784115035210 15.999 10 O 0.45891176591795 0.58784115035211 0.79557174156939 15.999 11 O 0.58784115035210 0.79557174156939 0.45891176591795 15.999 12 O 0.20442825843061 0.54108823408205 0.41215884964790 15.999 13 Ca 0.44383900398133 0.93971614220445 0.74955968704545 40.078 14 Ca 0.93971614220445 0.74955968704545 0.44383900398133 40.078 15 Ca 0.25044031295455 0.55616099601867 0.06028385779555 40.078 16 Ca 0.06028385779555 0.25044031295455 0.55616099601867 40.078 17 Ca 0.55616099601867 0.06028385779555 0.25044031295455 40.078 18 Ca 0.74955968704545 0.44383900398134 0.93971614220445 40.078 19 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 20 U 0.50000000000000 0.50000000000000 0.50000000000000 238.029 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.565010707740981 0.000000000000000 0.000000000000000 b -4.782505353870491 8.283542260373862 0.000000000000000 c 0.000000000000000 0.000000000000000 11.336160070000000 Atomic positions (fractional): 1 O 0.63664148922424 0.50342483989806 0.42781620207449 15.999 > 1 2 O 0.49657516010194 0.13321664932618 0.42781620207449 15.999 > 2 3 O 0.86678335067382 0.36335851077576 0.42781620207449 15.999 > 3 4 O 0.36335851077576 0.49657516010194 0.57218379792551 15.999 > 4 5 O 0.50342483989806 0.86678335067382 0.57218379792551 15.999 > 5 6 O 0.13321664932618 0.63664148922424 0.57218379792551 15.999 > 6 7 O 0.02626706892771 0.84480354663813 0.38589178072019 15.999 > 7 8 O 0.15519645336187 0.18146352228958 0.38589178072019 15.999 > 8 9 O 0.18146352228958 0.02626706892771 0.61410821927981 15.999 > 9 10 O 0.84480354663813 0.81853647771042 0.61410821927981 15.999 > 10 11 O 0.97373293107229 0.15519645336187 0.61410821927981 15.999 > 11 12 O 0.81853647771042 0.97373293107229 0.38589178072019 15.999 > 12 13 O 0.30330815589091 0.83675817323140 0.76114953540783 15.999 > 1 14 O 0.16324182676860 0.46654998265951 0.76114953540783 15.999 > 2 15 O 0.53345001734049 0.69669184410909 0.76114953540783 15.999 > 3 16 O 0.03002517744243 0.82990849343527 0.90551713125884 15.999 > 4 17 O 0.17009150656473 0.20011668400716 0.90551713125884 15.999 > 5 18 O 0.79988331599284 0.96997482255757 0.90551713125884 15.999 > 6 19 O 0.69293373559438 0.17813687997147 0.71922511405352 15.999 > 7 20 O 0.82186312002853 0.51479685562291 0.71922511405352 15.999 > 8 21 O 0.84813018895624 0.35960040226104 0.94744155261315 15.999 > 9 22 O 0.51147021330480 0.15186981104376 0.94744155261315 15.999 > 10 23 O 0.64039959773896 0.48852978669520 0.94744155261315 15.999 > 11 24 O 0.48520314437709 0.30706626440562 0.71922511405352 15.999 > 12 25 O 0.96997482255757 0.17009150656473 0.09448286874116 15.999 > 1 26 O 0.82990849343527 0.79988331599284 0.09448286874116 15.999 > 2 27 O 0.20011668400716 0.03002517744243 0.09448286874116 15.999 > 3 28 O 0.69669184410909 0.16324182676860 0.23885046459217 15.999 > 4 29 O 0.83675817323140 0.53345001734049 0.23885046459217 15.999 > 5 30 O 0.46654998265951 0.30330815589091 0.23885046459217 15.999 > 6 31 O 0.35960040226104 0.51147021330480 0.05255844738685 15.999 > 7 32 O 0.48852978669520 0.84813018895624 0.05255844738685 15.999 > 8 33 O 0.51479685562291 0.69293373559438 0.28077488594648 15.999 > 9 34 O 0.17813687997147 0.48520314437709 0.28077488594648 15.999 > 10 35 O 0.30706626440562 0.82186312002853 0.28077488594648 15.999 > 11 36 O 0.15186981104376 0.64039959773896 0.05255844738685 15.999 > 12 37 Ca 0.73280072623759 0.96147859069830 0.71103827774374 40.078 > 37 38 Ca 0.22867786446071 0.26719927376241 0.71103827774374 40.078 > 38 39 Ca 0.96147859069830 0.22867786446071 0.28896172225626 40.078 > 39 40 Ca 0.77132213553929 0.73280072623759 0.28896172225626 40.078 > 40 41 Ca 0.26719927376241 0.03852140930170 0.28896172225626 40.078 > 41 42 Ca 0.03852140930170 0.77132213553929 0.71103827774374 40.078 > 42 43 Ca 0.39946739290426 0.29481192403163 0.04437161107708 40.078 > 37 44 Ca 0.89534453112737 0.60053260709574 0.04437161107708 40.078 > 38 45 Ca 0.62814525736496 0.56201119779404 0.62229505558959 40.078 > 39 46 Ca 0.43798880220596 0.06613405957092 0.62229505558959 40.078 > 40 47 Ca 0.93386594042908 0.37185474263504 0.62229505558959 40.078 > 41 48 Ca 0.70518807596837 0.10465546887263 0.04437161107708 40.078 > 42 49 Ca 0.06613405957092 0.62814525736496 0.37770494441041 40.078 > 37 50 Ca 0.56201119779404 0.93386594042908 0.37770494441041 40.078 > 38 51 Ca 0.29481192403163 0.89534453112737 0.95562838892292 40.078 > 39 52 Ca 0.10465546887263 0.39946739290426 0.95562838892292 40.078 > 40 53 Ca 0.60053260709574 0.70518807596837 0.95562838892292 40.078 > 41 54 Ca 0.37185474263504 0.43798880220596 0.37770494441041 40.078 > 42 55 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 > 55 56 U 0.00000000000000 0.00000000000000 0.50000000000000 238.029 > 56 57 U 0.66666666666667 0.33333333333333 0.33333333333333 238.029 > 55 58 U 0.66666666666667 0.33333333333333 0.83333333333333 238.029 > 56 59 U 0.33333333333333 0.66666666666667 0.66666666666667 238.029 > 55 60 U 0.33333333333333 0.66666666666667 0.16666666666667 238.029 > 56 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.9182638 -0.0000041 0.0000000 0.0000041 3.9182638 0.0000000 0.0000000 0.0000000 3.7755345 -------------------------- Born effective charges -------------------------- 1 O -2.0271962 0.7725392 0.6360169 0.7757597 -2.1511516 -0.7876461 0.6191605 -0.6314419 -2.0613848 2 O -1.4497297 -0.4423592 0.3641130 -0.4391387 -2.7286181 0.9446298 0.2372645 0.8519297 -2.0613848 3 O -2.7905958 -0.3350107 -1.0001300 -0.3317902 -1.3877520 -0.1569838 -0.8564250 -0.2204878 -2.0613848 4 O -2.0271962 0.7725392 0.6360169 0.7757597 -2.1511516 -0.7876461 0.6191605 -0.6314419 -2.0613848 5 O -1.4497297 -0.4423592 0.3641130 -0.4391387 -2.7286181 0.9446298 0.2372645 0.8519297 -2.0613848 6 O -2.7905958 -0.3350107 -1.0001300 -0.3317902 -1.3877520 -0.1569838 -0.8564250 -0.2204878 -2.0613848 7 O -1.9616149 0.6185500 0.5956650 0.6373231 -2.2965602 -0.9039776 0.6709208 -0.8458899 -1.9519889 8 O -1.6690149 -0.4683904 0.4850351 -0.4496173 -2.5891603 0.9678498 0.3971017 1.0039794 -1.9519889 9 O -2.7566329 -0.1783193 -1.0807000 -0.1595462 -1.5015422 -0.0638722 -1.0680226 -0.1580895 -1.9519889 10 O -1.6690149 -0.4683904 0.4850351 -0.4496173 -2.5891603 0.9678498 0.3971017 1.0039794 -1.9519889 11 O -1.9616149 0.6185500 0.5956650 0.6373231 -2.2965602 -0.9039776 0.6709208 -0.8458899 -1.9519889 12 O -2.7566329 -0.1783193 -1.0807000 -0.1595462 -1.5015422 -0.0638722 -1.0680226 -0.1580895 -1.9519889 13 Ca 2.6015254 0.1728118 0.0959990 0.0810532 2.3871771 0.1203678 -0.2818816 0.2290423 2.3645960 14 Ca 2.3308375 0.0752286 0.0562420 -0.0165301 2.6578651 -0.1433214 0.3392972 0.1295955 2.3645960 15 Ca 2.5506910 -0.1104024 -0.1522410 -0.2021611 2.4380116 0.0229537 -0.0574156 -0.3586378 2.3645960 16 Ca 2.3308375 0.0752286 0.0562420 -0.0165301 2.6578651 -0.1433214 0.3392972 0.1295955 2.3645960 17 Ca 2.6015254 0.1728118 0.0959990 0.0810532 2.3871771 0.1203678 -0.2818816 0.2290423 2.3645960 18 Ca 2.5506910 -0.1104024 -0.1522410 -0.2021611 2.4380116 0.0229537 -0.0574156 -0.3586378 2.3645960 19 U 5.6245777 -0.1730576 -0.0000000 0.1730576 5.6245777 0.0000000 0.0000000 0.0000000 4.0460722 20 U 4.7188834 -0.0362374 -0.0000000 0.0362374 4.7188834 0.0000000 0.0000000 0.0000000 5.8465943 ---------------------------------------------------------------------------- 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] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 7, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 55, 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[ 56, 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 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:26:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:26:53]------------------------- 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-3 (148) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.782505353870496 2.761180753457951 3.778720023333329 b -4.782505353870485 2.761180753457951 3.778720023333329 c 0.000000000000005 -5.522361506915910 3.778720023333329 Atomic positions (fractional): 1 O 0.06445769129873 0.29459955274832 0.92439136217643 15.999 2 O 0.92439136217643 0.06445769129873 0.29459955274832 15.999 3 O 0.29459955274832 0.92439136217643 0.06445769129873 15.999 4 O 0.93554230870127 0.70540044725169 0.07560863782357 15.999 5 O 0.07560863782357 0.93554230870127 0.70540044725168 15.999 6 O 0.70540044725168 0.07560863782357 0.93554230870127 15.999 7 O 0.41215884964790 0.20442825843061 0.54108823408205 15.999 8 O 0.54108823408205 0.41215884964790 0.20442825843061 15.999 9 O 0.79557174156939 0.45891176591795 0.58784115035210 15.999 10 O 0.45891176591795 0.58784115035211 0.79557174156939 15.999 11 O 0.58784115035210 0.79557174156939 0.45891176591795 15.999 12 O 0.20442825843061 0.54108823408205 0.41215884964790 15.999 13 Ca 0.44383900398133 0.93971614220445 0.74955968704545 40.078 14 Ca 0.93971614220445 0.74955968704545 0.44383900398133 40.078 15 Ca 0.25044031295455 0.55616099601867 0.06028385779555 40.078 16 Ca 0.06028385779555 0.25044031295455 0.55616099601867 40.078 17 Ca 0.55616099601867 0.06028385779555 0.25044031295455 40.078 18 Ca 0.74955968704545 0.44383900398134 0.93971614220445 40.078 19 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 20 U 0.50000000000000 0.50000000000000 0.50000000000000 238.029 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.565010707740981 0.000000000000000 0.000000000000000 b -4.782505353870491 8.283542260373862 0.000000000000000 c 0.000000000000000 0.000000000000000 11.336160070000000 Atomic positions (fractional): 1 O 0.63664148922424 0.50342483989806 0.42781620207449 15.999 > 1 2 O 0.49657516010194 0.13321664932618 0.42781620207449 15.999 > 2 3 O 0.86678335067382 0.36335851077576 0.42781620207449 15.999 > 3 4 O 0.36335851077576 0.49657516010194 0.57218379792551 15.999 > 4 5 O 0.50342483989806 0.86678335067382 0.57218379792551 15.999 > 5 6 O 0.13321664932618 0.63664148922424 0.57218379792551 15.999 > 6 7 O 0.02626706892771 0.84480354663813 0.38589178072019 15.999 > 7 8 O 0.15519645336187 0.18146352228958 0.38589178072019 15.999 > 8 9 O 0.18146352228958 0.02626706892771 0.61410821927981 15.999 > 9 10 O 0.84480354663813 0.81853647771042 0.61410821927981 15.999 > 10 11 O 0.97373293107229 0.15519645336187 0.61410821927981 15.999 > 11 12 O 0.81853647771042 0.97373293107229 0.38589178072019 15.999 > 12 13 O 0.30330815589091 0.83675817323140 0.76114953540783 15.999 > 1 14 O 0.16324182676860 0.46654998265951 0.76114953540783 15.999 > 2 15 O 0.53345001734049 0.69669184410909 0.76114953540783 15.999 > 3 16 O 0.03002517744243 0.82990849343527 0.90551713125884 15.999 > 4 17 O 0.17009150656473 0.20011668400716 0.90551713125884 15.999 > 5 18 O 0.79988331599284 0.96997482255757 0.90551713125884 15.999 > 6 19 O 0.69293373559438 0.17813687997147 0.71922511405352 15.999 > 7 20 O 0.82186312002853 0.51479685562291 0.71922511405352 15.999 > 8 21 O 0.84813018895624 0.35960040226104 0.94744155261315 15.999 > 9 22 O 0.51147021330480 0.15186981104376 0.94744155261315 15.999 > 10 23 O 0.64039959773896 0.48852978669520 0.94744155261315 15.999 > 11 24 O 0.48520314437709 0.30706626440562 0.71922511405352 15.999 > 12 25 O 0.96997482255757 0.17009150656473 0.09448286874116 15.999 > 1 26 O 0.82990849343527 0.79988331599284 0.09448286874116 15.999 > 2 27 O 0.20011668400716 0.03002517744243 0.09448286874116 15.999 > 3 28 O 0.69669184410909 0.16324182676860 0.23885046459217 15.999 > 4 29 O 0.83675817323140 0.53345001734049 0.23885046459217 15.999 > 5 30 O 0.46654998265951 0.30330815589091 0.23885046459217 15.999 > 6 31 O 0.35960040226104 0.51147021330480 0.05255844738685 15.999 > 7 32 O 0.48852978669520 0.84813018895624 0.05255844738685 15.999 > 8 33 O 0.51479685562291 0.69293373559438 0.28077488594648 15.999 > 9 34 O 0.17813687997147 0.48520314437709 0.28077488594648 15.999 > 10 35 O 0.30706626440562 0.82186312002853 0.28077488594648 15.999 > 11 36 O 0.15186981104376 0.64039959773896 0.05255844738685 15.999 > 12 37 Ca 0.73280072623759 0.96147859069830 0.71103827774374 40.078 > 37 38 Ca 0.22867786446071 0.26719927376241 0.71103827774374 40.078 > 38 39 Ca 0.96147859069830 0.22867786446071 0.28896172225626 40.078 > 39 40 Ca 0.77132213553929 0.73280072623759 0.28896172225626 40.078 > 40 41 Ca 0.26719927376241 0.03852140930170 0.28896172225626 40.078 > 41 42 Ca 0.03852140930170 0.77132213553929 0.71103827774374 40.078 > 42 43 Ca 0.39946739290426 0.29481192403163 0.04437161107708 40.078 > 37 44 Ca 0.89534453112737 0.60053260709574 0.04437161107708 40.078 > 38 45 Ca 0.62814525736496 0.56201119779404 0.62229505558959 40.078 > 39 46 Ca 0.43798880220596 0.06613405957092 0.62229505558959 40.078 > 40 47 Ca 0.93386594042908 0.37185474263504 0.62229505558959 40.078 > 41 48 Ca 0.70518807596837 0.10465546887263 0.04437161107708 40.078 > 42 49 Ca 0.06613405957092 0.62814525736496 0.37770494441041 40.078 > 37 50 Ca 0.56201119779404 0.93386594042908 0.37770494441041 40.078 > 38 51 Ca 0.29481192403163 0.89534453112737 0.95562838892292 40.078 > 39 52 Ca 0.10465546887263 0.39946739290426 0.95562838892292 40.078 > 40 53 Ca 0.60053260709574 0.70518807596837 0.95562838892292 40.078 > 41 54 Ca 0.37185474263504 0.43798880220596 0.37770494441041 40.078 > 42 55 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 > 55 56 U 0.00000000000000 0.00000000000000 0.50000000000000 238.029 > 56 57 U 0.66666666666667 0.33333333333333 0.33333333333333 238.029 > 55 58 U 0.66666666666667 0.33333333333333 0.83333333333333 238.029 > 56 59 U 0.33333333333333 0.66666666666667 0.66666666666667 238.029 > 55 60 U 0.33333333333333 0.66666666666667 0.16666666666667 238.029 > 56 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.9182638 -0.0000041 0.0000000 0.0000041 3.9182638 0.0000000 0.0000000 0.0000000 3.7755345 -------------------------- Born effective charges -------------------------- 1 O -2.0271962 0.7725392 0.6360169 0.7757597 -2.1511516 -0.7876461 0.6191605 -0.6314419 -2.0613848 2 O -1.4497297 -0.4423592 0.3641130 -0.4391387 -2.7286181 0.9446298 0.2372645 0.8519297 -2.0613848 3 O -2.7905958 -0.3350107 -1.0001300 -0.3317902 -1.3877520 -0.1569838 -0.8564250 -0.2204878 -2.0613848 4 O -2.0271962 0.7725392 0.6360169 0.7757597 -2.1511516 -0.7876461 0.6191605 -0.6314419 -2.0613848 5 O -1.4497297 -0.4423592 0.3641130 -0.4391387 -2.7286181 0.9446298 0.2372645 0.8519297 -2.0613848 6 O -2.7905958 -0.3350107 -1.0001300 -0.3317902 -1.3877520 -0.1569838 -0.8564250 -0.2204878 -2.0613848 7 O -1.9616149 0.6185500 0.5956650 0.6373231 -2.2965602 -0.9039776 0.6709208 -0.8458899 -1.9519889 8 O -1.6690149 -0.4683904 0.4850351 -0.4496173 -2.5891603 0.9678498 0.3971017 1.0039794 -1.9519889 9 O -2.7566329 -0.1783193 -1.0807000 -0.1595462 -1.5015422 -0.0638722 -1.0680226 -0.1580895 -1.9519889 10 O -1.6690149 -0.4683904 0.4850351 -0.4496173 -2.5891603 0.9678498 0.3971017 1.0039794 -1.9519889 11 O -1.9616149 0.6185500 0.5956650 0.6373231 -2.2965602 -0.9039776 0.6709208 -0.8458899 -1.9519889 12 O -2.7566329 -0.1783193 -1.0807000 -0.1595462 -1.5015422 -0.0638722 -1.0680226 -0.1580895 -1.9519889 13 Ca 2.6015254 0.1728118 0.0959990 0.0810532 2.3871771 0.1203678 -0.2818816 0.2290423 2.3645960 14 Ca 2.3308375 0.0752286 0.0562420 -0.0165301 2.6578651 -0.1433214 0.3392972 0.1295955 2.3645960 15 Ca 2.5506910 -0.1104024 -0.1522410 -0.2021611 2.4380116 0.0229537 -0.0574156 -0.3586378 2.3645960 16 Ca 2.3308375 0.0752286 0.0562420 -0.0165301 2.6578651 -0.1433214 0.3392972 0.1295955 2.3645960 17 Ca 2.6015254 0.1728118 0.0959990 0.0810532 2.3871771 0.1203678 -0.2818816 0.2290423 2.3645960 18 Ca 2.5506910 -0.1104024 -0.1522410 -0.2021611 2.4380116 0.0229537 -0.0574156 -0.3586378 2.3645960 19 U 5.6245777 -0.1730576 -0.0000000 0.1730576 5.6245777 0.0000000 0.0000000 0.0000000 4.0460722 20 U 4.7188834 -0.0362374 -0.0000000 0.0362374 4.7188834 0.0000000 0.0000000 0.0000000 5.8465943 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 7 7 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.62, Number of G-points: 299, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/60) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 Number of triplets: 60 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 2.834 ( 0.000 0.000 0.000) 0.000 2.930 ( 0.000 0.000 0.000) 0.000 2.930 ( 0.000 0.000 0.000) 0.000 4.426 ( 0.000 0.000 0.000) 0.000 4.426 ( 0.000 0.000 0.000) 0.000 5.045 ( 0.000 0.000 0.000) 0.000 5.045 ( 0.000 0.000 0.000) 0.000 5.630 ( 0.000 0.000 0.000) 0.000 5.781 ( 0.000 0.000 0.000) 0.000 6.096 ( 0.000 0.000 0.000) 0.000 6.096 ( 0.000 0.000 0.000) 0.000 6.137 ( 0.000 0.000 0.000) 0.000 6.176 ( 0.000 0.000 0.000) 0.000 6.559 ( 0.000 0.000 0.000) 0.000 6.559 ( 0.000 0.000 0.000) 0.000 6.935 ( 0.000 0.000 0.000) 0.000 6.935 ( 0.000 0.000 0.000) 0.000 6.997 ( 0.000 0.000 0.000) 0.000 7.187 ( 0.000 0.000 0.000) 0.000 7.187 ( 0.000 0.000 0.000) 0.000 7.288 ( 0.000 0.000 0.000) 0.000 7.639 ( 0.000 0.000 0.000) 0.000 7.639 ( 0.000 0.000 0.000) 0.000 7.993 ( 0.000 0.000 0.000) 0.000 8.494 ( 0.000 0.000 0.000) 0.000 8.494 ( 0.000 0.000 0.000) 0.000 8.501 ( 0.000 0.000 0.000) 0.000 8.509 ( 0.000 0.000 0.000) 0.000 8.509 ( 0.000 0.000 0.000) 0.000 8.695 ( 0.000 0.000 0.000) 0.000 8.809 ( 0.000 0.000 0.000) 0.000 9.245 ( 0.000 0.000 0.000) 0.000 9.245 ( 0.000 0.000 0.000) 0.000 9.601 ( 0.000 0.000 0.000) 0.000 9.601 ( 0.000 0.000 0.000) 0.000 9.961 ( 0.000 0.000 0.000) 0.000 10.068 ( 0.000 0.000 0.000) 0.000 10.068 ( 0.000 0.000 0.000) 0.000 10.298 ( 0.000 0.000 0.000) 0.000 10.809 ( 0.000 0.000 0.000) 0.000 11.369 ( 0.000 0.000 0.000) 0.000 11.369 ( 0.000 0.000 0.000) 0.000 11.632 ( 0.000 0.000 0.000) 0.000 11.632 ( 0.000 0.000 0.000) 0.000 12.060 ( 0.000 0.000 0.000) 0.000 14.331 ( 0.000 0.000 0.000) 0.000 14.331 ( 0.000 0.000 0.000) 0.000 15.460 ( 0.000 0.000 0.000) 0.000 15.488 ( 0.000 0.000 0.000) 0.000 15.488 ( 0.000 0.000 0.000) 0.000 16.366 ( 0.000 0.000 0.000) 0.000 16.622 ( 0.000 0.000 0.000) 0.000 16.622 ( 0.000 0.000 0.000) 0.000 16.754 ( 0.000 0.000 0.000) 0.000 16.754 ( 0.000 0.000 0.000) 0.000 21.195 ( 0.000 0.000 0.000) 0.000 21.643 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.14 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.594 ( 18.264 7.054 19.707) 27.779 0.657 ( 29.310 6.815 11.991) 32.393 1.181 ( 35.020 28.052 30.496) 54.252 2.778 ( -3.583 -2.467 -5.573) 7.070 2.875 ( -5.337 -1.505 -1.300) 5.695 3.032 ( 6.105 2.281 7.235) 9.738 4.403 ( 1.551 -7.142 -2.732) 7.802 4.457 ( -3.398 5.692 3.868) 7.675 5.020 ( -3.188 -3.795 2.128) 5.394 5.046 ( -2.463 0.264 2.194) 3.309 5.597 ( -8.831 -1.492 -5.375) 10.445 5.666 ( -0.002 -0.779 0.020) 0.780 5.953 ( -2.590 -2.393 -12.205) 12.704 6.008 ( 2.988 -7.446 -9.603) 12.513 6.180 ( -0.173 1.366 2.707) 3.037 6.332 ( -4.184 6.142 7.659) 10.672 6.500 ( -5.249 -8.277 -3.486) 10.403 6.610 ( 2.918 -0.383 2.535) 3.884 6.866 ( -10.098 -0.656 0.415) 10.128 6.972 ( 0.174 -0.137 -1.353) 1.371 7.055 ( 1.647 7.230 -6.182) 9.654 7.103 ( 4.004 0.443 -2.666) 4.830 7.308 ( 4.540 4.663 -2.745) 7.064 7.431 ( 0.308 -4.700 1.056) 4.827 7.634 ( 1.952 5.531 -8.331) 10.188 7.786 ( 8.189 -0.503 6.449) 10.436 7.937 ( -1.957 -0.839 -4.709) 5.168 8.371 ( -9.565 -5.637 -2.881) 11.470 8.442 ( -2.296 -3.094 -3.343) 5.101 8.477 ( -1.246 -0.330 2.122) 2.483 8.557 ( 0.657 3.551 2.685) 4.500 8.631 ( 4.261 2.396 4.981) 6.979 8.831 ( 2.817 0.090 0.853) 2.945 8.926 ( -6.897 -3.376 14.812) 16.684 9.210 ( -1.434 -0.187 -3.308) 3.611 9.248 ( -1.359 -2.430 -2.210) 3.554 9.606 ( 1.347 1.149 0.337) 1.803 9.864 ( 3.852 0.765 -5.303) 6.599 10.075 ( 1.133 -0.716 0.117) 1.345 10.116 ( 3.598 2.981 -1.095) 4.799 10.292 ( 1.813 0.083 -2.733) 3.280 10.660 ( -7.321 -3.345 12.856) 15.167 10.844 ( 3.348 1.557 -0.566) 3.735 11.312 ( -3.352 -1.573 -2.896) 4.701 11.364 ( 1.427 2.393 -3.932) 4.819 11.641 ( -1.761 -2.811 3.664) 4.942 11.901 ( 6.296 1.864 -6.214) 9.040 12.236 ( -5.075 0.795 6.540) 8.316 14.289 ( 7.926 -11.017 -7.582) 15.546 14.400 ( -0.555 5.772 6.855) 8.979 15.292 ( -19.265 -13.438 2.966) 23.676 15.540 ( 0.090 12.298 -2.157) 12.486 15.831 ( 7.395 1.849 -25.404) 26.523 16.363 ( 9.409 -20.516 -9.158) 24.357 16.563 ( 2.107 13.521 -16.686) 21.580 16.768 ( -14.093 8.134 10.825) 19.544 17.393 ( 26.150 6.069 28.138) 38.890 20.109 ( -8.971 0.450 -2.593) 9.349 21.212 ( 0.482 0.318 1.697) 1.793 21.651 ( 0.766 0.453 -0.092) 0.895 ======================= Grid point 2 (3/60) ======================= q-point: ( 0.29 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( 16.858 7.409 17.464) 25.378 1.286 ( 26.678 6.776 11.686) 29.903 2.252 ( 28.261 23.715 25.448) 44.819 2.541 ( -9.772 -5.477 -9.728) 14.837 2.709 ( -9.894 -1.815 -3.666) 10.707 3.272 ( 8.896 0.165 7.381) 11.561 4.339 ( 3.787 -6.291 -2.518) 7.763 4.531 ( -5.734 6.100 8.720) 12.088 4.957 ( -4.711 -6.656 6.391) 10.361 5.019 ( -5.972 3.186 0.955) 6.836 5.364 ( -7.912 0.485 -7.911) 11.199 5.648 ( 2.937 -2.564 -5.883) 7.057 5.770 ( 3.893 -5.507 -12.518) 14.219 5.909 ( 4.758 -2.823 -7.982) 9.712 6.069 ( -14.863 -4.649 3.507) 15.963 6.261 ( -9.440 -6.140 -3.387) 11.759 6.412 ( 4.657 3.266 -2.965) 6.414 6.677 ( -7.018 -4.480 1.060) 8.394 6.744 ( -4.931 3.861 6.978) 9.376 6.928 ( 0.567 0.622 -1.278) 1.530 7.059 ( 3.490 4.689 -3.911) 7.033 7.131 ( -3.485 3.305 -1.497) 5.031 7.410 ( 7.084 3.922 -8.535) 11.765 7.435 ( 4.242 -5.044 1.936) 6.869 7.576 ( -1.872 -1.562 -2.758) 3.681 7.859 ( -0.406 2.345 -1.769) 2.965 7.929 ( 2.407 -0.194 2.027) 3.153 8.182 ( -2.264 -2.604 -2.117) 4.048 8.323 ( -4.476 -1.502 -3.776) 6.045 8.491 ( -2.571 -3.078 4.809) 6.261 8.645 ( 2.483 4.246 1.766) 5.226 8.753 ( 0.491 2.744 4.416) 5.222 8.903 ( 1.096 0.875 3.399) 3.677 8.979 ( 1.252 -3.219 4.721) 5.849 9.115 ( -1.730 -3.969 -5.277) 6.826 9.173 ( -1.946 1.356 -2.299) 3.303 9.686 ( 4.583 3.011 1.340) 5.645 9.876 ( 2.837 -0.997 -0.547) 3.057 10.071 ( -0.036 -4.242 -0.633) 4.289 10.137 ( -0.623 5.686 -2.715) 6.331 10.337 ( 5.340 0.224 1.013) 5.440 10.698 ( -2.573 -0.060 6.877) 7.342 10.885 ( 2.612 -0.458 -1.982) 3.311 11.200 ( -4.309 -0.917 -3.237) 5.466 11.361 ( 2.148 3.596 -4.669) 6.272 11.576 ( -7.188 -6.778 3.317) 10.422 11.967 ( 3.983 -1.417 4.248) 5.993 12.251 ( -3.113 4.130 1.436) 5.368 14.221 ( 13.767 -15.269 -9.602) 22.691 14.516 ( -8.736 7.464 6.205) 13.058 14.928 ( -17.007 -1.933 5.965) 18.127 15.593 ( -1.073 11.504 -5.243) 12.688 15.743 ( 12.409 -9.868 -14.135) 21.240 16.246 ( 9.224 -14.774 -3.685) 17.802 16.528 ( 1.413 2.482 -4.870) 5.646 16.722 ( -16.903 14.201 3.557) 22.362 18.178 ( 26.619 4.399 24.682) 36.567 19.871 ( -13.628 1.889 -9.711) 16.840 21.249 ( 0.538 0.450 1.930) 2.054 21.668 ( 0.907 0.564 -0.142) 1.078 ======================= Grid point 3 (4/60) ======================= q-point: ( 0.43 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.655 ( 14.182 7.382 13.618) 21.001 1.837 ( 19.850 4.435 9.271) 22.353 2.183 ( -11.621 -4.526 -10.794) 16.494 2.377 ( -14.666 -5.513 -6.628) 17.012 3.077 ( 14.677 17.890 15.036) 27.596 3.381 ( 2.125 -7.896 -1.503) 8.314 4.389 ( 11.633 -3.678 -0.060) 12.200 4.546 ( -12.852 5.407 4.910) 14.782 4.912 ( -4.878 0.747 -1.147) 5.066 4.981 ( -1.914 -2.356 5.296) 6.104 5.220 ( -1.796 0.067 -2.609) 3.168 5.604 ( 3.425 0.884 -5.863) 6.847 5.651 ( 4.263 -5.851 -8.608) 11.247 5.856 ( -1.229 0.378 -2.208) 2.555 5.861 ( -8.724 -3.160 1.703) 9.433 6.116 ( -1.945 -2.354 -0.332) 3.072 6.400 ( 0.779 -1.324 -4.639) 4.887 6.576 ( -5.209 0.928 1.840) 5.602 6.763 ( -0.740 -0.241 2.859) 2.963 7.008 ( 3.841 -1.933 3.917) 5.817 7.019 ( -6.840 3.343 -1.471) 7.754 7.147 ( 3.142 4.790 -2.421) 6.220 7.356 ( -2.245 0.718 -3.198) 3.973 7.413 ( 3.270 -7.382 -4.410) 9.200 7.568 ( 1.002 0.890 1.057) 1.707 7.913 ( -0.941 3.987 1.755) 4.457 7.966 ( 2.953 1.775 0.077) 3.446 8.174 ( -0.715 -2.199 0.143) 2.316 8.219 ( 1.794 -0.301 -3.746) 4.164 8.446 ( -4.962 -2.923 2.901) 6.448 8.747 ( 3.057 4.778 0.585) 5.702 8.815 ( -0.412 0.784 3.270) 3.388 8.907 ( -3.453 -2.953 1.274) 4.718 8.998 ( 0.446 -0.953 -2.974) 3.155 9.040 ( 2.328 -2.994 0.999) 3.922 9.152 ( -0.922 2.604 -1.187) 3.006 9.778 ( 2.290 0.940 0.471) 2.520 9.917 ( 2.983 0.506 0.270) 3.037 10.002 ( -2.360 -2.458 -0.722) 3.483 10.171 ( 1.160 2.951 -0.228) 3.179 10.427 ( 2.973 0.668 1.045) 3.221 10.744 ( -0.480 0.542 3.009) 3.095 10.859 ( -0.240 -1.776 -1.753) 2.507 11.101 ( -2.090 -0.555 -2.753) 3.501 11.379 ( 2.266 4.426 -2.954) 5.784 11.448 ( -5.827 -6.191 2.901) 8.983 12.069 ( 2.965 -1.601 3.747) 5.039 12.241 ( -2.192 2.946 -1.074) 3.825 14.220 ( 16.353 -12.524 -6.796) 21.690 14.366 ( -18.489 6.921 2.477) 19.897 14.985 ( -2.914 6.550 10.833) 12.990 15.559 ( 2.573 -7.434 -6.425) 10.157 15.636 ( 2.615 1.775 -8.193) 8.781 16.317 ( 10.375 -2.614 -0.233) 10.701 16.491 ( -4.056 -8.154 4.697) 10.247 16.632 ( -8.765 12.915 -3.417) 15.978 18.841 ( 20.291 1.206 17.635) 26.910 19.507 ( -15.655 1.203 -12.610) 20.137 21.276 ( 0.222 0.215 0.810) 0.867 21.680 ( 0.389 0.250 -0.073) 0.468 ======================= Grid point 8 (5/60) ======================= q-point: ( 0.14 0.14 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.798 ( -2.491 16.732 19.710) 25.974 0.945 ( -5.587 18.020 23.802) 30.372 1.641 ( 4.947 30.007 40.319) 50.502 2.727 ( 0.404 -0.991 -7.366) 7.444 2.908 ( 1.872 -5.451 1.158) 5.879 3.069 ( -2.512 2.173 7.740) 8.423 4.306 ( -2.044 -9.465 -1.798) 9.848 4.597 ( 1.824 9.688 6.683) 11.909 5.030 ( -0.221 -8.013 1.858) 8.229 5.102 ( 0.801 -1.412 5.221) 5.468 5.489 ( 4.082 -11.447 -10.813) 16.267 5.636 ( -2.342 -3.251 -1.269) 4.203 5.787 ( -0.166 -7.638 -9.592) 12.263 5.960 ( -10.996 3.947 -8.867) 14.667 6.087 ( 5.254 8.922 -9.409) 13.991 6.427 ( -0.605 -6.006 -0.116) 6.038 6.477 ( 7.151 -5.203 -2.845) 9.289 6.610 ( -6.980 -1.029 6.967) 9.915 6.880 ( 3.346 -2.620 -3.538) 5.530 6.983 ( 6.205 -0.498 2.497) 6.707 7.003 ( 1.574 2.115 -4.571) 5.277 7.118 ( -3.258 4.121 -3.314) 6.212 7.149 ( 0.077 7.655 -6.856) 10.277 7.453 ( -4.153 -0.121 4.765) 6.322 7.627 ( 4.543 -0.894 2.800) 5.411 7.813 ( -2.919 0.844 -1.866) 3.566 7.916 ( -0.889 6.007 -0.327) 6.081 8.380 ( -0.112 -7.600 -2.347) 7.955 8.445 ( -3.180 -1.330 -2.907) 4.509 8.497 ( -2.507 -1.093 3.376) 4.345 8.520 ( 8.506 -3.159 -2.047) 9.302 8.680 ( 0.170 2.562 6.373) 6.871 8.839 ( -2.599 3.915 0.717) 4.754 9.087 ( 1.591 -8.721 7.897) 11.872 9.169 ( 1.859 -2.796 -4.037) 5.251 9.193 ( -3.340 -0.789 -4.838) 5.932 9.585 ( -0.289 2.235 0.082) 2.255 9.766 ( -1.522 5.311 -4.094) 6.876 10.083 ( 1.695 -0.075 -0.011) 1.696 10.141 ( 0.504 5.647 -2.992) 6.410 10.252 ( -2.160 3.547 -1.268) 4.342 10.799 ( 0.109 -0.818 4.027) 4.110 10.888 ( -0.572 -7.792 8.687) 11.684 11.237 ( 1.300 0.206 -6.488) 6.621 11.319 ( 1.353 0.724 -3.517) 3.838 11.715 ( -4.396 -1.981 2.374) 5.374 11.838 ( 1.651 5.669 0.993) 5.987 12.248 ( 1.987 -8.812 2.511) 9.376 14.036 ( -8.294 -12.303 -8.834) 17.268 14.562 ( 2.140 16.115 5.301) 17.099 15.188 ( 4.470 -23.836 -7.534) 25.395 15.650 ( 2.861 8.536 -9.651) 13.199 15.705 ( -4.718 15.612 -5.133) 17.098 15.983 ( -5.075 -7.882 -9.313) 13.214 16.481 ( 2.453 13.960 -7.755) 16.157 17.053 ( 5.910 -8.444 15.413) 18.541 17.731 ( -6.093 19.945 28.951) 35.680 20.032 ( 4.377 -7.967 -8.740) 12.611 21.243 ( 0.137 -0.151 2.940) 2.947 21.653 ( -0.007 0.911 0.217) 0.936 ======================= Grid point 9 (6/60) ======================= q-point: ( 0.29 0.14 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.265 ( 12.066 12.579 19.286) 25.996 1.362 ( 3.065 14.848 21.321) 26.161 2.457 ( 6.219 11.159 11.791) 17.385 2.615 ( -0.934 12.888 9.105) 15.808 2.803 ( -7.808 -4.732 0.118) 9.131 3.210 ( 6.161 -2.442 6.245) 9.105 4.189 ( 2.084 -11.288 -1.389) 11.562 4.772 ( -4.439 6.990 6.856) 10.750 5.018 ( 3.130 -5.037 7.481) 9.547 5.149 ( -2.576 0.132 5.182) 5.788 5.271 ( 5.660 -13.817 -17.654) 23.122 5.454 ( -11.950 2.851 -7.823) 14.565 5.602 ( -2.098 -5.290 -5.790) 8.118 5.829 ( 0.902 0.105 -0.827) 1.229 6.141 ( 10.511 3.247 -12.452) 16.616 6.225 ( -8.674 -2.483 -6.066) 10.872 6.356 ( -10.021 -5.723 -1.976) 11.708 6.733 ( 2.910 1.718 5.446) 6.409 6.861 ( 0.392 -2.357 -1.983) 3.105 7.012 ( 5.305 3.738 -2.272) 6.876 7.025 ( -9.795 6.249 4.313) 12.393 7.065 ( 4.203 -5.727 -1.875) 7.347 7.195 ( 7.808 2.176 -8.489) 11.737 7.445 ( -4.434 -1.324 4.358) 6.356 7.667 ( -6.482 -0.132 2.994) 7.141 7.813 ( 7.520 5.223 -1.751) 9.322 7.960 ( -1.208 2.407 2.885) 3.947 8.195 ( -8.282 -3.443 -2.698) 9.366 8.334 ( -2.688 -3.274 -4.406) 6.112 8.515 ( 1.513 -2.128 1.569) 3.046 8.629 ( 6.979 -0.609 1.290) 7.123 8.823 ( 6.682 -3.838 4.242) 8.796 8.841 ( -2.025 5.048 1.296) 5.591 9.035 ( -3.565 -1.774 -4.618) 6.097 9.059 ( -4.247 -3.551 -1.686) 5.787 9.170 ( 0.822 2.321 0.023) 2.462 9.667 ( 4.905 4.379 1.308) 6.704 9.765 ( 2.501 0.546 -1.726) 3.088 10.078 ( -1.113 -0.688 -2.609) 2.919 10.140 ( 2.193 0.782 -1.973) 3.052 10.299 ( 1.442 5.562 1.962) 6.072 10.842 ( -2.468 -0.551 6.074) 6.579 10.858 ( -2.353 -2.554 0.556) 3.517 11.215 ( -1.923 -0.268 -2.245) 2.968 11.268 ( 2.314 1.320 -5.239) 5.877 11.646 ( -4.496 -7.486 2.495) 9.082 11.923 ( 4.468 -0.001 0.759) 4.532 12.219 ( 3.493 -6.927 -2.908) 8.284 13.804 ( 5.173 -14.061 -5.956) 16.122 14.802 ( 3.904 18.866 -2.621) 19.443 14.908 ( -4.331 -21.245 -3.779) 22.009 15.521 ( -3.164 21.157 -14.713) 25.964 15.692 ( -3.522 3.519 1.952) 5.348 16.002 ( 6.918 -11.563 6.981) 15.176 16.518 ( -1.187 5.539 -1.002) 5.753 17.111 ( -9.712 1.673 5.191) 11.138 18.273 ( 10.169 11.552 27.188) 31.242 19.850 ( -3.234 -4.843 -13.312) 14.530 21.277 ( -0.062 -0.028 2.145) 2.146 21.669 ( 0.260 1.175 0.495) 1.301 ======================= Grid point 10 (7/60) ======================= q-point: ( 0.43 0.14 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.761 ( 8.957 7.441 15.625) 19.487 1.824 ( 10.634 14.071 16.245) 23.978 2.231 ( -13.132 -1.635 -8.179) 15.557 2.497 ( -16.149 -8.064 -3.610) 18.408 3.252 ( 7.288 13.385 14.545) 21.067 3.290 ( 1.896 -1.705 2.694) 3.709 4.162 ( 8.774 -10.056 -1.009) 13.383 4.755 ( -6.684 -7.008 5.464) 11.119 4.917 ( -2.584 -5.525 -17.841) 18.855 5.088 ( -7.066 6.192 -1.435) 9.504 5.226 ( 0.809 -0.743 -3.058) 3.249 5.367 ( 4.258 6.795 7.356) 10.881 5.542 ( 4.207 -3.325 -0.760) 5.416 5.830 ( 0.221 -5.251 0.935) 5.338 6.059 ( -4.635 2.148 -0.438) 5.127 6.124 ( -2.854 -2.589 -1.246) 4.049 6.224 ( 5.691 4.330 -7.179) 10.133 6.725 ( -8.614 0.079 0.452) 8.627 6.752 ( -4.006 -1.750 -4.203) 6.064 6.979 ( -2.128 -4.996 -4.559) 7.090 7.051 ( 1.895 -2.646 0.386) 3.278 7.162 ( 8.150 3.706 1.700) 9.113 7.254 ( 4.773 1.712 1.814) 5.385 7.411 ( -5.691 0.432 6.875) 8.935 7.645 ( -2.499 3.841 2.050) 5.020 7.934 ( 2.485 1.558 0.857) 3.056 8.027 ( -5.807 2.585 -0.200) 6.359 8.059 ( 5.541 -1.167 -0.676) 5.703 8.220 ( -1.437 -1.198 -3.458) 3.931 8.495 ( -2.681 -2.119 -0.781) 3.506 8.729 ( 4.682 -1.543 0.576) 4.963 8.855 ( -0.052 1.433 -0.522) 1.526 8.880 ( -0.595 -2.311 -5.167) 5.692 8.936 ( 3.327 -8.403 1.891) 9.233 8.996 ( -0.888 2.854 0.985) 3.148 9.196 ( -1.494 5.954 -1.884) 6.421 9.768 ( 1.344 0.894 1.799) 2.417 9.844 ( 7.099 1.897 1.028) 7.420 10.013 ( -1.589 0.326 -2.922) 3.342 10.156 ( 1.762 -0.563 -1.207) 2.209 10.399 ( 2.754 3.113 1.548) 4.435 10.793 ( -2.580 -2.761 0.390) 3.799 10.881 ( -1.755 2.572 2.029) 3.717 11.125 ( -4.115 0.113 -0.083) 4.117 11.299 ( 5.514 0.677 -3.423) 6.525 11.503 ( -6.448 -8.652 1.243) 10.862 12.003 ( 6.307 -2.342 -0.130) 6.729 12.156 ( 4.328 -5.942 -7.533) 10.525 13.790 ( 13.880 -10.334 -2.291) 17.455 14.629 ( 3.190 -19.771 -8.503) 21.757 14.889 ( -8.804 21.674 -6.816) 24.367 15.566 ( 0.867 20.620 -9.575) 22.751 15.788 ( -3.669 9.726 15.864) 18.967 16.081 ( 7.733 -18.054 8.379) 21.353 16.515 ( -2.497 -4.515 4.303) 6.719 16.980 ( -15.006 8.854 -2.061) 17.545 18.842 ( 13.347 5.167 21.237) 25.610 19.517 ( -10.481 -4.446 -15.811) 19.484 21.290 ( -0.514 -0.056 0.537) 0.746 21.688 ( -0.106 0.960 0.706) 1.196 ======================= Grid point 11 (8/60) ======================= q-point: (-0.43 0.14 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.733 ( -18.973 -1.310 -8.411) 20.795 2.037 ( -21.447 -4.498 -4.821) 22.438 2.253 ( 6.974 7.671 12.808) 16.478 2.321 ( 12.246 5.651 8.967) 16.196 3.068 ( -18.906 -9.709 -5.169) 21.872 3.475 ( -3.555 3.480 -1.900) 5.325 4.215 ( 12.198 -8.782 -4.328) 15.641 4.544 ( -8.119 -7.751 0.409) 11.232 4.794 ( 6.095 2.235 -10.861) 12.653 4.999 ( -6.267 5.134 -1.208) 8.191 5.248 ( 1.527 1.263 4.206) 4.649 5.580 ( 9.314 0.536 2.691) 9.710 5.651 ( 5.205 5.171 3.514) 8.135 5.814 ( 3.096 -7.333 4.007) 8.912 6.087 ( -4.849 5.990 9.509) 12.240 6.124 ( 0.528 2.096 2.140) 3.042 6.324 ( 10.959 10.756 -10.352) 18.519 6.551 ( -6.021 -6.959 -0.963) 9.252 6.682 ( 0.156 0.192 -2.496) 2.508 6.870 ( 2.325 -7.381 -2.017) 7.997 7.014 ( 0.636 -4.100 -2.445) 4.816 7.276 ( -3.783 1.503 3.850) 5.603 7.390 ( 2.076 7.392 9.207) 11.988 7.517 ( 1.993 1.822 8.480) 8.899 7.658 ( -4.577 5.024 0.222) 6.800 7.871 ( -3.489 -4.821 -2.454) 6.437 7.997 ( -0.571 -2.657 2.468) 3.671 8.088 ( 4.107 -2.492 -2.943) 5.634 8.289 ( 7.133 6.917 -1.494) 10.048 8.404 ( -5.466 0.111 -0.356) 5.479 8.714 ( -0.596 -5.017 -3.729) 6.280 8.773 ( -0.819 -0.633 -2.832) 3.015 8.858 ( 0.802 -1.549 -1.608) 2.372 8.984 ( 5.608 -4.483 1.373) 7.309 9.047 ( 0.354 3.089 1.548) 3.473 9.180 ( -2.435 4.854 -2.287) 5.892 9.776 ( -0.718 -2.049 -1.019) 2.398 9.942 ( -2.177 0.587 -0.663) 2.350 9.992 ( 4.777 2.442 0.188) 5.368 10.149 ( 0.554 -1.937 -0.469) 2.068 10.437 ( -1.072 1.104 -0.905) 1.785 10.738 ( -3.223 -1.782 0.152) 3.686 10.926 ( 0.315 5.074 3.269) 6.045 11.112 ( 0.262 -0.670 0.799) 1.075 11.345 ( 5.528 0.649 -3.300) 6.470 11.407 ( -1.153 -4.476 4.058) 6.151 12.011 ( 2.313 -0.792 -8.935) 9.263 12.099 ( 6.429 -7.867 -2.331) 10.423 13.973 ( 18.738 -4.423 1.441) 19.307 14.445 ( 9.869 -13.537 -12.586) 20.954 14.811 ( -15.322 16.235 -0.978) 22.345 15.611 ( -0.685 9.838 -3.512) 10.469 16.021 ( -3.302 2.723 6.632) 7.894 16.186 ( 7.570 2.114 9.256) 12.143 16.491 ( -2.583 -11.828 10.392) 15.955 16.811 ( -12.725 9.182 -2.273) 15.856 18.927 ( -20.058 -2.381 -15.569) 25.503 19.413 ( 14.041 -1.382 12.774) 19.033 21.275 ( -1.016 -0.233 -0.691) 1.251 21.696 ( -0.850 0.429 0.718) 1.193 ======================= Grid point 12 (9/60) ======================= q-point: (-0.29 0.14 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( -24.454 1.571 -8.553) 25.954 1.517 ( -26.601 -8.063 -8.641) 29.108 2.404 ( -36.628 -6.938 -6.339) 37.814 2.586 ( 10.206 2.433 6.608) 12.399 2.675 ( 3.489 5.872 9.091) 11.371 3.261 ( -8.714 -5.429 -10.642) 14.788 4.263 ( 9.259 -4.562 -4.316) 11.188 4.478 ( -2.336 1.337 2.428) 3.625 4.813 ( 8.960 1.603 -5.632) 10.703 4.964 ( -1.038 -0.275 1.626) 1.949 5.374 ( 3.967 1.359 5.968) 7.294 5.708 ( 1.592 -1.469 3.291) 3.940 5.824 ( 12.359 8.061 -7.882) 16.729 5.905 ( 4.420 -5.733 10.465) 12.725 6.149 ( -1.820 2.914 -0.517) 3.475 6.236 ( 0.524 6.214 7.015) 9.386 6.400 ( 3.628 4.153 -6.457) 8.492 6.469 ( 8.525 -4.341 -1.700) 9.717 6.737 ( 1.706 6.269 1.791) 6.739 6.821 ( 3.368 -12.276 0.742) 12.751 7.015 ( 5.253 -0.395 -0.820) 5.332 7.266 ( -7.777 4.333 4.993) 10.208 7.496 ( -6.878 3.641 -1.932) 8.018 7.568 ( -5.537 0.653 1.556) 5.788 7.668 ( -0.958 -5.963 10.018) 11.698 7.838 ( 3.368 0.443 2.380) 4.148 7.973 ( -2.181 3.438 -2.025) 4.547 8.123 ( 5.722 -2.472 1.072) 6.324 8.349 ( 4.560 0.271 -4.463) 6.386 8.441 ( -0.230 6.751 4.710) 8.235 8.616 ( -1.017 -4.463 -2.252) 5.101 8.713 ( -2.000 0.246 -3.592) 4.119 8.818 ( 0.449 -4.290 -1.844) 4.691 8.988 ( -2.140 -1.428 -2.960) 3.922 9.100 ( 5.224 2.211 -1.351) 5.831 9.190 ( -0.158 1.769 2.305) 2.910 9.710 ( -2.601 -2.815 -1.058) 3.976 9.853 ( -2.476 0.612 -4.514) 5.185 10.083 ( 3.297 -4.333 0.092) 5.446 10.174 ( 0.985 5.003 3.553) 6.215 10.381 ( -4.051 0.614 -2.274) 4.686 10.670 ( -4.913 -0.700 0.273) 4.970 10.978 ( -4.195 0.848 1.665) 4.592 11.156 ( 6.410 1.495 0.457) 6.597 11.370 ( 2.089 -2.838 0.289) 3.536 11.513 ( 5.572 3.232 3.927) 7.544 11.914 ( 3.491 -1.121 -9.007) 9.725 12.101 ( 3.542 -5.484 -0.736) 6.569 14.162 ( 9.823 -4.500 -6.778) 12.754 14.508 ( 25.692 1.085 -5.936) 26.391 14.702 ( -14.911 4.718 6.457) 16.920 15.636 ( -3.843 5.599 2.168) 7.129 15.963 ( 2.145 -13.448 0.390) 13.623 16.385 ( 3.505 7.836 -6.027) 10.489 16.530 ( -3.891 15.278 -2.969) 16.043 16.779 ( -7.239 -7.930 25.695) 27.848 18.282 ( -28.355 -4.997 -20.252) 35.201 19.774 ( 12.386 -0.352 11.097) 16.634 21.244 ( -1.350 -0.251 -0.856) 1.618 21.688 ( -1.459 -0.003 0.484) 1.537 ======================= Grid point 13 (10/60) ======================= q-point: (-0.14 0.14 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.843 ( -27.542 3.055 -3.950) 27.991 0.924 ( -30.031 -2.730 -5.453) 30.644 1.647 ( -51.763 0.009 5.692) 52.075 2.758 ( 7.760 -1.679 -0.837) 7.983 2.912 ( 1.287 7.314 8.215) 11.074 2.974 ( -4.822 -5.524 -7.596) 10.558 4.308 ( 6.542 0.261 -3.376) 7.366 4.494 ( -1.845 -0.573 3.416) 3.924 4.924 ( 8.830 -0.655 -1.274) 8.946 5.000 ( 2.144 0.569 1.560) 2.711 5.526 ( 7.129 0.397 3.429) 7.920 5.688 ( -2.579 -0.519 -1.476) 3.016 5.957 ( 11.086 7.294 -10.927) 17.190 6.044 ( 6.728 -8.578 3.906) 11.581 6.104 ( -0.314 0.608 -2.619) 2.707 6.329 ( -3.750 0.061 10.019) 10.698 6.490 ( 2.653 3.223 -6.078) 7.374 6.500 ( 6.863 -0.567 -0.944) 6.951 6.849 ( 8.277 -10.901 5.058) 14.592 6.870 ( 4.755 4.197 2.499) 6.817 7.104 ( 2.554 5.629 0.949) 6.254 7.230 ( -7.282 5.233 -1.493) 9.091 7.356 ( -6.100 -1.060 1.420) 6.352 7.435 ( -5.318 -2.609 -4.755) 7.596 7.703 ( -2.182 -5.730 6.352) 8.829 7.880 ( -5.204 2.693 -4.649) 7.480 7.936 ( 2.324 0.864 -0.400) 2.511 8.285 ( 8.291 0.005 2.838) 8.763 8.366 ( 6.038 0.657 -4.102) 7.329 8.537 ( -1.033 -1.485 -1.208) 2.176 8.553 ( -1.065 0.561 3.757) 3.945 8.643 ( -4.508 1.531 0.406) 4.778 8.782 ( 0.200 -1.139 1.557) 1.940 8.872 ( -4.772 -0.627 -2.436) 5.395 9.193 ( 6.428 0.571 -1.063) 6.540 9.226 ( 0.740 -0.094 0.351) 0.824 9.639 ( -4.255 -0.402 0.701) 4.331 9.823 ( 3.437 0.315 -1.014) 3.598 10.067 ( 0.586 -0.778 -1.562) 1.841 10.252 ( -5.787 2.287 0.517) 6.244 10.298 ( 1.524 -1.221 -1.758) 2.628 10.593 ( -5.011 0.019 1.550) 5.245 10.911 ( -4.429 -0.312 -0.639) 4.485 11.278 ( 5.404 0.226 1.089) 5.518 11.375 ( 0.558 -0.570 0.138) 0.810 11.617 ( 1.477 0.986 -0.232) 1.791 11.915 ( 8.391 -1.356 -4.861) 9.792 12.123 ( -0.098 0.951 5.737) 5.816 14.159 ( 8.733 5.251 -10.877) 14.905 14.513 ( -10.777 -8.900 5.558) 15.041 14.976 ( 25.726 2.901 0.044) 25.890 15.636 ( -7.502 4.801 3.952) 9.744 16.007 ( 13.874 -3.653 3.385) 14.740 16.285 ( 0.255 -15.782 -10.702) 19.070 16.524 ( 0.905 18.701 -12.141) 22.315 17.017 ( -8.821 -1.283 27.533) 28.940 17.550 ( -31.894 -2.158 -14.869) 35.256 20.034 ( 7.573 0.076 5.875) 9.585 21.216 ( -1.247 -0.004 -0.027) 1.247 21.668 ( -1.491 0.001 0.052) 1.492 ======================= Grid point 15 (11/60) ======================= q-point: ( 0.14 0.29 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( -10.324 14.935 16.308) 24.405 1.498 ( -8.181 18.644 20.189) 28.673 2.404 ( -12.699 20.009 29.634) 37.944 2.535 ( 9.718 -2.155 -6.538) 11.909 2.740 ( 9.684 -8.829 -1.438) 13.183 3.320 ( -8.484 4.904 8.125) 12.730 4.246 ( -5.272 -10.483 -1.910) 11.889 4.694 ( 9.230 1.424 6.616) 11.445 4.932 ( -1.070 -7.181 -1.554) 7.425 5.115 ( 2.160 -5.458 4.493) 7.392 5.269 ( 2.034 -0.988 -4.127) 4.706 5.540 ( -0.471 -5.939 -7.240) 9.376 5.680 ( 0.559 1.249 -9.115) 9.217 5.889 ( 2.295 8.045 -7.433) 11.191 6.127 ( -12.943 -0.497 -11.091) 17.052 6.252 ( 14.014 -5.715 -0.870) 15.160 6.318 ( 5.214 -1.898 -3.533) 6.578 6.692 ( -2.392 -9.153 1.403) 9.564 6.808 ( 4.262 2.901 3.351) 6.149 6.918 ( 2.479 -2.638 1.497) 3.917 6.982 ( -3.842 5.981 -6.698) 9.767 7.070 ( -1.535 -1.343 -0.205) 2.050 7.268 ( -3.260 3.247 0.323) 4.612 7.586 ( 4.101 2.460 1.790) 5.106 7.600 ( -2.979 4.055 4.976) 7.077 7.787 ( -1.085 -2.104 -1.817) 2.984 7.994 ( 3.827 3.803 -0.226) 5.400 8.192 ( 3.542 -4.209 -2.344) 5.980 8.333 ( 6.247 -2.251 -3.633) 7.569 8.517 ( -8.529 -4.493 0.198) 9.642 8.569 ( -1.140 -0.581 2.048) 2.414 8.773 ( -1.494 0.480 4.022) 4.318 8.925 ( -3.076 3.790 -1.166) 5.019 9.007 ( 4.329 -7.751 1.982) 9.096 9.106 ( 1.942 0.430 -4.443) 4.867 9.171 ( -0.371 3.181 -0.598) 3.258 9.675 ( -3.939 3.967 2.960) 6.326 9.809 ( -4.737 2.622 -3.490) 6.442 10.050 ( -0.128 -1.427 -2.239) 2.659 10.088 ( 0.979 0.605 -4.221) 4.375 10.358 ( -2.676 6.682 1.529) 7.359 10.825 ( 3.284 -2.534 6.027) 7.316 10.896 ( 1.619 -0.512 1.782) 2.462 11.160 ( -0.209 -0.051 -5.524) 5.528 11.260 ( 0.486 -1.670 -1.130) 2.074 11.709 ( 5.455 -3.714 0.659) 6.632 11.912 ( -7.075 -0.483 -1.948) 7.354 12.189 ( -1.737 -8.208 1.785) 8.578 14.013 ( -14.328 -9.931 -8.699) 19.483 14.572 ( 7.844 -5.651 -9.361) 13.457 14.930 ( 2.293 6.364 2.041) 7.065 15.574 ( 0.354 5.262 -3.739) 6.465 15.797 ( 7.110 20.533 -8.895) 23.479 15.984 ( -13.892 -13.096 -0.328) 19.095 16.544 ( -0.341 8.469 2.639) 8.877 16.956 ( 15.250 -7.541 10.771) 20.136 18.434 ( -14.484 20.595 24.721) 35.286 19.712 ( 8.011 -13.429 -11.113) 19.184 21.272 ( 0.143 -0.161 2.071) 2.082 21.669 ( -0.254 1.162 0.546) 1.309 ======================= Grid point 16 (12/60) ======================= q-point: ( 0.29 0.29 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.547 ( -0.023 14.518 17.408) 22.668 1.787 ( -5.556 14.932 19.510) 25.188 2.472 ( -0.443 -2.039 -5.082) 5.493 2.727 ( 4.250 -8.913 -3.472) 10.467 2.983 ( 6.541 21.038 22.592) 31.556 3.343 ( -7.567 1.960 11.203) 13.661 4.049 ( -1.589 -13.291 -2.840) 13.684 4.699 ( 8.097 -17.565 -11.669) 22.589 4.974 ( -4.663 -4.898 1.397) 6.905 5.084 ( 4.089 7.778 5.912) 10.590 5.289 ( -5.211 0.545 0.711) 5.288 5.439 ( 0.072 -5.725 1.534) 5.928 5.588 ( 5.200 3.570 -13.801) 15.174 5.781 ( -8.389 0.776 -9.501) 12.698 5.933 ( 1.509 5.295 -1.446) 5.692 6.239 ( -2.348 -3.536 -2.077) 4.725 6.437 ( -1.204 0.598 1.561) 2.060 6.581 ( 6.762 -7.282 -4.086) 10.744 6.867 ( 3.797 1.270 -6.243) 7.417 6.913 ( 0.018 1.740 -0.453) 1.798 6.993 ( 2.397 3.305 0.014) 4.083 7.056 ( 0.091 -3.154 0.533) 3.200 7.302 ( -6.873 5.744 7.007) 11.373 7.577 ( -4.901 -1.276 6.531) 8.264 7.702 ( 2.567 4.157 -3.742) 6.154 7.800 ( 1.467 0.674 6.266) 6.470 8.049 ( -1.249 4.165 -0.924) 4.445 8.155 ( 4.900 -8.291 -4.747) 10.737 8.296 ( -9.179 -4.561 -2.462) 10.541 8.386 ( 8.160 -2.723 -1.701) 8.769 8.580 ( 0.164 -1.686 0.975) 1.955 8.797 ( -0.051 -1.210 1.584) 1.994 8.905 ( 0.739 2.922 -3.184) 4.384 8.986 ( -2.179 -4.290 -2.636) 5.486 9.067 ( -1.338 1.064 -1.691) 2.404 9.193 ( 0.131 3.904 0.771) 3.982 9.710 ( -1.448 6.142 2.390) 6.748 9.771 ( -0.719 2.140 0.851) 2.413 10.028 ( 0.475 -1.709 -3.347) 3.788 10.042 ( 3.685 -1.364 -3.248) 5.098 10.407 ( -2.103 7.019 2.022) 7.601 10.854 ( -1.215 0.384 -1.815) 2.218 10.932 ( -0.324 -4.084 5.061) 6.511 11.129 ( 3.642 1.490 -2.945) 4.915 11.260 ( -0.614 -2.543 0.245) 2.627 11.653 ( -3.700 -4.739 -1.838) 6.287 11.835 ( 4.155 -3.629 -5.115) 7.523 12.065 ( -2.384 -10.971 -2.419) 11.485 13.664 ( -6.344 -9.591 -4.533) 12.361 14.405 ( 6.807 -15.672 -14.311) 22.288 15.136 ( -1.593 19.865 2.642) 20.103 15.535 ( 0.023 24.130 -16.215) 29.072 15.886 ( -4.675 -11.331 21.682) 24.907 15.966 ( 3.529 5.504 1.121) 6.633 16.605 ( -2.349 -2.312 5.322) 6.260 17.130 ( 5.055 -2.700 -0.630) 5.765 18.733 ( -7.354 16.610 23.455) 29.667 19.579 ( 6.535 -10.498 -13.015) 17.953 21.294 ( 0.250 -0.420 1.098) 1.202 21.689 ( -0.042 1.405 0.973) 1.710 ======================= Grid point 17 (13/60) ======================= q-point: ( 0.43 0.29 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.909 ( 5.089 9.008 13.840) 17.280 2.091 ( 0.897 14.515 13.803) 20.050 2.319 ( -9.678 -0.901 -2.958) 10.160 2.558 ( -8.704 -8.860 -4.826) 13.324 3.380 ( -4.021 0.691 10.441) 11.210 3.472 ( 1.448 10.668 11.720) 15.914 3.930 ( 5.795 -10.797 -4.195) 12.952 4.504 ( 9.157 -9.506 -18.416) 22.657 4.833 ( -6.928 -12.521 3.899) 14.832 5.161 ( -4.173 4.107 -6.367) 8.650 5.242 ( -0.536 0.537 2.887) 2.985 5.451 ( 5.099 -0.682 1.789) 5.447 5.557 ( -4.201 7.825 -3.181) 9.434 5.748 ( 11.446 2.594 -2.773) 12.060 5.999 ( -2.544 5.269 3.425) 6.780 6.153 ( -5.802 0.212 0.891) 5.874 6.315 ( -6.454 -3.354 3.485) 8.065 6.633 ( 6.247 -4.872 -4.440) 9.082 6.811 ( -3.175 -1.150 -5.518) 6.469 6.902 ( -3.931 -4.118 -5.708) 8.062 6.977 ( 4.326 0.078 -0.098) 4.328 7.120 ( 4.153 4.594 2.579) 6.708 7.357 ( -3.203 8.031 8.012) 11.788 7.626 ( -3.438 0.777 10.723) 11.287 7.711 ( -0.587 2.161 0.283) 2.258 7.913 ( 3.510 2.154 1.553) 4.401 8.027 ( -2.328 -1.512 -1.630) 3.219 8.043 ( -0.231 -8.820 -7.633) 11.667 8.166 ( -1.817 0.844 1.659) 2.601 8.498 ( 4.283 2.816 -0.592) 5.160 8.545 ( 5.542 -8.683 -2.837) 10.685 8.793 ( 0.394 -1.040 -5.430) 5.543 8.853 ( 0.483 -3.763 -2.275) 4.423 8.907 ( -2.029 2.758 -0.274) 3.435 9.068 ( -1.860 2.660 2.326) 3.993 9.232 ( -0.218 4.139 -1.255) 4.330 9.789 ( 1.084 1.812 2.053) 2.945 9.815 ( 1.732 1.921 2.231) 3.415 9.979 ( 0.825 -0.002 -3.267) 3.369 10.073 ( 4.327 -1.373 -0.974) 4.643 10.459 ( -1.501 5.421 1.630) 5.856 10.797 ( -1.669 -1.534 -0.542) 2.331 10.955 ( -1.098 1.564 1.278) 2.299 11.173 ( 4.565 -1.185 -1.759) 5.034 11.196 ( -4.036 -2.150 0.412) 4.591 11.524 ( -4.719 -7.458 0.798) 8.861 11.812 ( 9.129 -5.015 -10.101) 14.509 11.933 ( 2.355 -6.979 -3.015) 7.959 13.568 ( 6.324 -4.895 -1.151) 8.080 14.197 ( 5.640 -11.061 -14.253) 18.902 15.220 ( -8.529 6.724 5.562) 12.202 15.601 ( 0.580 30.471 -13.341) 33.269 16.007 ( -0.079 -16.804 10.577) 19.856 16.144 ( 0.145 14.910 16.881) 22.523 16.573 ( -3.073 -9.895 5.703) 11.827 17.074 ( -2.682 0.831 -7.673) 8.170 19.083 ( 1.116 10.161 20.236) 22.672 19.355 ( -2.628 -8.484 -14.842) 17.297 21.296 ( -0.260 -0.462 -0.122) 0.544 21.712 ( -0.200 1.106 1.018) 1.517 ======================= Grid point 18 (14/60) ======================= q-point: (-0.43 0.29 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.943 ( -16.768 2.915 -3.974) 17.478 2.193 ( -13.346 -9.427 -5.141) 17.129 2.304 ( 2.388 3.610 6.101) 7.480 2.456 ( 4.384 13.344 12.266) 18.648 3.323 ( -17.799 -1.752 5.314) 18.658 3.515 ( -7.735 -2.775 -3.364) 8.880 3.937 ( 10.560 -2.957 -4.073) 11.698 4.411 ( 11.059 -3.275 -10.436) 15.555 4.674 ( -4.423 -12.287 5.192) 14.053 5.105 ( -3.521 2.952 -2.317) 5.146 5.289 ( 2.554 4.214 2.695) 5.616 5.539 ( 2.445 3.777 -2.092) 4.962 5.601 ( 7.651 1.870 1.774) 8.074 5.881 ( -5.456 1.377 5.008) 7.533 5.996 ( 9.631 0.642 -7.847) 12.439 6.158 ( 0.297 1.809 4.001) 4.401 6.352 ( -1.454 5.983 5.743) 8.420 6.501 ( -4.286 -10.958 -6.501) 13.443 6.720 ( -2.521 1.286 1.867) 3.391 6.763 ( 1.411 -4.224 -3.147) 5.453 6.987 ( -2.594 0.304 -0.635) 2.688 7.306 ( 6.839 6.342 1.995) 9.538 7.537 ( 2.546 8.140 7.602) 11.425 7.718 ( -3.240 1.758 7.633) 8.477 7.724 ( -3.599 4.068 0.181) 5.434 7.825 ( -1.989 -9.315 -4.339) 10.467 7.968 ( 2.681 -3.107 -1.047) 4.235 8.007 ( 1.014 -0.694 2.753) 3.015 8.194 ( 2.220 -0.259 -1.741) 2.833 8.487 ( -0.041 0.915 0.891) 1.278 8.571 ( 4.638 -3.152 -5.712) 8.005 8.722 ( 1.598 -2.380 -3.295) 4.368 8.816 ( 0.578 -1.842 -0.777) 2.080 8.930 ( 0.557 1.139 0.348) 1.314 9.096 ( -1.193 2.624 1.407) 3.207 9.225 ( -1.889 2.953 -1.018) 3.650 9.771 ( -2.605 -1.891 -0.591) 3.273 9.908 ( 5.476 -1.327 1.089) 5.738 9.946 ( -0.446 0.390 -4.425) 4.464 10.125 ( 2.719 1.176 1.104) 3.162 10.479 ( -2.501 3.669 -0.444) 4.463 10.788 ( -1.433 -0.450 2.984) 3.341 10.982 ( 1.876 2.866 0.949) 3.555 11.103 ( -3.236 -3.560 -1.652) 5.087 11.219 ( 5.186 -0.885 -1.460) 5.460 11.470 ( -1.720 -3.121 6.507) 7.419 11.736 ( 7.805 -5.910 -12.345) 15.756 11.956 ( 6.200 -1.305 -0.534) 6.358 13.730 ( 16.995 1.043 1.584) 17.100 14.036 ( 5.008 -3.836 -13.338) 14.754 15.161 ( -12.406 -9.390 11.967) 19.629 15.708 ( -2.123 32.250 -12.082) 34.504 15.931 ( -2.077 -23.452 8.653) 25.083 16.397 ( -2.547 12.697 -2.271) 13.147 16.580 ( 1.131 2.612 5.011) 5.763 16.958 ( -3.411 -2.921 4.835) 6.598 18.959 ( -15.346 -6.600 -15.139) 22.544 19.445 ( 7.861 4.033 15.005) 17.413 21.279 ( -0.832 -0.338 -0.600) 1.080 21.723 ( -0.736 0.500 0.708) 1.137 ======================= Grid point 19 (15/60) ======================= q-point: (-0.29 0.29 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( -23.355 3.953 -3.147) 23.895 1.757 ( -24.699 -3.859 -3.594) 25.256 2.467 ( 9.296 -2.616 0.282) 9.661 2.772 ( 6.423 10.879 6.276) 14.107 2.965 ( -32.017 -0.409 2.465) 32.115 3.230 ( -12.166 -7.166 -5.372) 15.107 4.067 ( 9.768 4.963 -2.887) 11.331 4.495 ( 8.397 -4.998 3.315) 10.319 4.643 ( 1.990 -6.097 4.887) 8.063 5.042 ( -4.049 1.201 0.034) 4.224 5.418 ( 2.429 4.726 3.707) 6.479 5.607 ( 8.106 5.154 -6.291) 11.482 5.724 ( 1.641 2.647 -2.937) 4.281 5.835 ( 3.211 -5.221 0.568) 6.156 6.041 ( 8.242 -1.975 -7.726) 11.468 6.249 ( 5.404 -1.785 2.913) 6.393 6.321 ( -0.459 -6.248 -1.024) 6.348 6.475 ( -0.167 8.828 5.774) 10.550 6.707 ( 0.688 -8.768 1.900) 8.998 6.801 ( 1.500 3.766 1.231) 4.237 6.969 ( 1.571 5.266 -0.810) 5.555 7.407 ( -1.920 6.221 -0.545) 6.533 7.552 ( -4.030 -6.115 -7.777) 10.683 7.626 ( -2.817 -2.658 0.279) 3.883 7.756 ( -2.113 -0.008 1.750) 2.744 7.868 ( 1.578 2.947 4.673) 5.746 7.970 ( -2.746 1.760 1.906) 3.778 8.087 ( 4.850 -2.648 7.922) 9.659 8.197 ( 5.102 0.714 -5.708) 7.689 8.506 ( 3.560 -6.158 -5.493) 8.987 8.571 ( 0.747 6.105 4.498) 7.620 8.688 ( -0.069 -1.352 -1.006) 1.687 8.798 ( -0.912 -2.885 0.867) 3.148 8.944 ( 1.794 -0.980 -0.879) 2.225 9.084 ( -2.632 2.922 -1.698) 4.284 9.235 ( -0.660 1.271 1.975) 2.440 9.713 ( -2.034 -0.608 0.150) 2.128 9.862 ( -3.140 -0.891 -2.258) 3.969 9.978 ( 5.402 -2.152 -1.397) 5.980 10.189 ( 2.945 1.962 0.083) 3.540 10.439 ( -4.688 2.598 -1.438) 5.549 10.774 ( -5.197 -0.151 2.160) 5.630 10.986 ( 0.587 -4.525 -3.655) 5.846 11.115 ( 3.107 3.508 3.794) 6.029 11.280 ( 5.643 -1.130 -0.793) 5.809 11.547 ( 2.226 0.630 3.014) 3.799 11.679 ( 6.483 -1.844 -5.476) 8.684 12.060 ( 4.982 1.932 3.685) 6.491 13.954 ( 4.178 5.288 -10.436) 12.423 14.116 ( 25.522 4.888 2.674) 26.123 14.990 ( -15.275 -19.653 14.085) 28.599 15.732 ( 2.613 -6.006 -3.891) 7.618 15.848 ( -6.028 11.841 -0.307) 13.291 16.352 ( -2.778 -12.198 2.271) 12.715 16.523 ( -0.896 22.363 -25.664) 34.052 17.147 ( 0.412 -3.472 22.995) 23.259 18.426 ( -25.125 -3.218 -11.701) 27.902 19.753 ( 10.019 0.431 8.513) 13.154 21.256 ( -1.216 -0.056 -0.124) 1.223 21.715 ( -1.340 -0.003 0.142) 1.348 ======================= Grid point 20 (16/60) ======================= q-point: (-0.14 0.29 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.253 ( -25.297 1.661 4.598) 25.765 1.407 ( -25.533 11.258 3.682) 28.146 2.499 ( -23.685 -1.055 8.045) 25.036 2.564 ( -5.125 -0.065 -1.856) 5.451 2.817 ( -0.880 -6.330 -8.534) 10.662 3.138 ( -2.069 8.393 8.406) 12.057 4.209 ( 6.016 8.291 -2.165) 10.471 4.561 ( -2.041 -8.448 8.094) 11.876 4.764 ( 10.137 -1.783 3.542) 10.885 5.026 ( -1.284 -0.055 2.372) 2.698 5.470 ( 1.317 -5.415 -3.220) 6.437 5.628 ( 4.066 2.706 -5.508) 7.362 5.748 ( 8.186 13.163 -11.940) 19.566 5.901 ( 5.139 -4.557 2.616) 7.350 6.039 ( 4.153 -3.692 -3.750) 6.704 6.255 ( 4.608 -7.290 -5.079) 10.009 6.374 ( 6.710 -0.879 2.018) 7.062 6.622 ( -2.810 4.193 6.961) 8.598 6.683 ( 4.479 -10.202 5.216) 12.303 6.867 ( 4.213 2.181 0.044) 4.744 7.103 ( 5.586 9.350 -0.942) 10.932 7.291 ( -8.279 -1.500 -7.937) 11.566 7.412 ( -1.021 -1.558 -3.997) 4.409 7.514 ( -7.686 -2.276 2.576) 8.420 7.693 ( -0.582 -0.276 -8.697) 8.721 7.898 ( -1.349 -2.723 2.157) 3.726 7.944 ( -4.835 2.129 0.336) 5.294 8.178 ( 3.208 -1.217 -3.449) 4.865 8.296 ( 6.211 1.049 4.671) 7.842 8.429 ( 2.383 -5.117 -4.293) 7.092 8.651 ( -2.488 0.256 4.016) 4.731 8.740 ( -0.425 3.047 4.017) 5.059 8.807 ( 2.965 2.664 3.906) 5.581 8.924 ( -2.064 -2.117 0.864) 3.080 9.086 ( 3.624 1.394 -2.208) 4.467 9.234 ( -2.000 -0.657 -0.178) 2.112 9.716 ( -2.443 1.869 2.122) 3.737 9.815 ( -0.456 0.737 2.094) 2.266 10.012 ( 3.914 0.594 -2.039) 4.454 10.231 ( 1.594 -0.589 -2.097) 2.699 10.359 ( -6.071 1.999 0.048) 6.392 10.700 ( -5.484 -0.797 1.471) 5.734 10.922 ( -0.461 -0.888 -2.917) 3.083 11.205 ( 3.264 -2.771 0.863) 4.368 11.355 ( 4.652 1.221 1.375) 5.003 11.537 ( 2.687 -1.053 -7.108) 7.672 11.810 ( 5.640 3.433 6.256) 9.095 12.213 ( 2.196 2.574 6.228) 7.088 14.008 ( 7.555 16.950 -8.529) 20.424 14.529 ( 15.994 -6.324 4.202) 17.704 14.799 ( -6.670 -13.824 12.803) 19.988 15.713 ( 9.183 -7.789 -2.384) 12.275 15.883 ( -7.252 15.356 -1.815) 17.079 16.105 ( -3.554 -9.405 -9.727) 13.989 16.478 ( 3.561 12.382 -9.594) 16.064 17.191 ( -8.609 -17.792 -2.453) 19.917 18.045 ( -24.076 14.195 12.460) 30.601 19.928 ( 8.739 -5.384 -1.373) 10.356 21.243 ( -1.239 0.251 0.912) 1.559 21.690 ( -1.540 -0.062 -0.409) 1.594 ======================= Grid point 22 (17/60) ======================= q-point: ( 0.14 0.43 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.734 ( -9.719 10.952 12.508) 19.257 1.992 ( -6.646 14.731 15.630) 22.482 2.180 ( 15.903 -5.412 -8.785) 18.957 2.463 ( 13.102 -8.135 -1.333) 15.480 3.052 ( -11.820 8.059 16.075) 21.519 3.480 ( 2.783 4.298 0.155) 5.123 4.273 ( -11.606 -9.316 0.509) 14.891 4.505 ( 4.337 -14.187 -3.763) 15.305 4.939 ( 4.261 8.693 0.489) 9.694 5.116 ( -1.169 -1.956 0.770) 2.405 5.194 ( 7.889 3.963 -2.814) 9.266 5.462 ( -5.744 -1.143 -5.001) 7.701 5.594 ( -4.271 0.011 -3.047) 5.247 5.879 ( 3.639 -1.678 1.228) 4.191 5.977 ( 8.850 -7.267 1.345) 11.530 6.123 ( -3.186 -0.115 -6.270) 7.034 6.237 ( 0.430 7.294 -5.728) 9.285 6.653 ( 2.040 -1.232 1.208) 2.672 6.816 ( 2.928 -0.499 -0.641) 3.038 6.867 ( -3.084 -7.533 -1.270) 8.238 7.027 ( -6.368 -0.406 -1.129) 6.480 7.119 ( 0.658 5.872 0.714) 5.951 7.342 ( 1.250 -0.415 9.315) 9.408 7.552 ( 3.606 -1.287 -0.677) 3.888 7.649 ( 7.105 7.569 1.315) 10.464 7.858 ( -7.229 1.811 1.884) 7.687 7.946 ( -1.485 -1.903 3.275) 4.069 8.167 ( 2.937 -4.134 -1.193) 5.210 8.212 ( -0.741 6.640 -5.562) 8.693 8.521 ( 5.880 -4.584 -0.186) 7.458 8.622 ( -8.445 -1.924 -0.367) 8.669 8.832 ( -1.467 -0.521 1.915) 2.468 8.896 ( -3.414 -6.603 -4.771) 8.833 8.978 ( 2.498 -0.757 -5.195) 5.814 9.015 ( 2.654 2.587 3.647) 5.199 9.224 ( 0.684 5.621 1.064) 5.761 9.787 ( -1.178 2.109 2.261) 3.309 9.858 ( -4.724 1.168 -2.128) 5.311 9.972 ( 1.062 -1.863 -5.209) 5.633 10.101 ( -5.410 -0.082 -0.072) 5.411 10.449 ( -0.584 3.568 1.390) 3.873 10.812 ( 3.597 -2.334 3.488) 5.527 10.881 ( 1.972 2.283 -1.364) 3.311 11.110 ( 1.446 0.815 0.136) 1.666 11.255 ( -3.926 -2.611 -1.608) 4.981 11.557 ( 7.045 -5.062 -0.443) 8.686 11.942 ( -7.020 -5.313 -6.501) 10.944 12.209 ( -4.185 -3.061 0.811) 5.248 14.048 ( -12.707 -12.211 -4.482) 18.184 14.278 ( 0.340 -10.949 -7.492) 13.271 15.044 ( 3.361 21.227 -4.333) 21.924 15.547 ( 1.004 15.286 -15.822) 22.023 15.776 ( 6.790 6.861 10.624) 14.354 16.094 ( -8.261 -14.964 7.609) 18.710 16.563 ( 4.690 -15.746 6.371) 17.621 16.897 ( 8.843 18.650 5.636) 21.396 19.015 ( -4.116 8.865 9.507) 13.635 19.349 ( 2.115 -8.639 -4.867) 10.139 21.285 ( 0.287 -0.151 0.503) 0.598 21.689 ( 0.127 1.007 0.792) 1.287 ======================= Grid point 23 (18/60) ======================= q-point: ( 0.29 0.43 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.885 ( -3.722 10.863 11.949) 16.573 2.158 ( -0.329 4.234 6.571) 7.824 2.363 ( 8.831 3.965 4.665) 10.746 2.515 ( 5.328 -7.316 -2.035) 9.277 3.280 ( 5.162 10.846 12.104) 17.053 3.555 ( 0.140 2.837 4.238) 5.102 3.992 ( -11.417 -13.470 0.080) 17.658 4.328 ( 2.179 -13.192 -11.124) 17.393 4.990 ( -3.671 -6.128 2.678) 7.629 5.147 ( 8.696 9.161 -14.782) 19.444 5.305 ( -2.162 8.490 -1.781) 8.940 5.330 ( 1.275 -3.303 0.625) 3.595 5.528 ( -4.329 -1.282 8.455) 9.585 5.773 ( -8.064 -2.293 -9.821) 12.912 5.977 ( 7.232 -1.169 1.986) 7.591 6.217 ( 4.496 1.519 9.134) 10.293 6.360 ( 8.146 8.171 -3.814) 12.152 6.548 ( -7.811 -6.839 -0.904) 10.421 6.749 ( -0.008 -4.807 -3.702) 6.067 6.845 ( 3.810 0.091 -3.730) 5.333 7.035 ( 2.136 5.289 2.233) 6.126 7.122 ( -7.596 1.436 0.542) 7.749 7.499 ( -0.482 2.154 10.399) 10.630 7.608 ( 5.926 1.269 0.211) 6.064 7.770 ( 2.606 -3.169 1.237) 4.285 7.808 ( -5.007 4.513 0.532) 6.762 7.956 ( -0.830 -3.764 3.712) 5.351 8.126 ( -3.136 2.549 -5.627) 6.928 8.209 ( 5.885 -1.461 -0.538) 6.087 8.449 ( -11.466 -2.234 0.805) 11.709 8.521 ( 3.323 -4.920 -3.893) 7.100 8.762 ( 0.949 -3.264 -4.916) 5.977 8.845 ( 0.129 0.117 -1.124) 1.138 8.953 ( 1.186 -0.372 -2.101) 2.441 9.102 ( 0.155 3.038 1.948) 3.613 9.245 ( -1.820 3.417 -0.543) 3.910 9.796 ( -2.228 3.896 -0.473) 4.513 9.823 ( -0.131 -0.421 1.536) 1.598 9.930 ( 2.848 -1.364 -3.144) 4.456 10.024 ( -4.060 0.697 0.513) 4.152 10.495 ( -0.233 3.500 1.507) 3.818 10.848 ( 0.364 0.204 -1.074) 1.152 10.920 ( 1.855 -1.258 1.015) 2.460 11.118 ( -1.274 2.513 -0.071) 2.819 11.224 ( 2.131 -3.718 1.072) 4.417 11.554 ( 4.415 -6.093 -5.054) 9.064 11.717 ( -5.509 -5.177 -5.636) 9.429 12.042 ( -7.682 -7.250 -3.490) 11.124 13.673 ( -13.135 -9.658 -4.069) 16.804 14.091 ( 1.585 -12.334 -6.198) 13.894 15.243 ( 5.434 23.803 -10.135) 26.435 15.579 ( 2.472 27.337 -11.369) 29.710 16.000 ( 0.831 0.639 7.466) 7.540 16.131 ( 0.457 -14.274 26.929) 30.481 16.568 ( 5.264 -18.916 5.252) 20.325 17.097 ( -1.819 13.749 -4.590) 14.608 19.112 ( 9.306 -4.236 -3.336) 10.755 19.319 ( -6.887 4.918 7.481) 11.295 21.291 ( 0.470 -0.415 -0.056) 0.629 21.713 ( 0.109 1.159 1.010) 1.541 ======================= Grid point 24 (19/60) ======================= q-point: ( 0.43 0.43 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.065 ( 0.878 4.915 6.570) 8.252 2.252 ( 1.109 2.818 1.374) 3.325 2.452 ( -4.309 -0.117 2.388) 4.928 2.548 ( 0.985 1.717 3.345) 3.887 3.562 ( 2.054 5.704 6.394) 8.811 3.667 ( 3.303 3.443 5.618) 7.371 3.753 ( -6.664 -11.152 2.118) 13.163 4.114 ( 4.320 -7.063 -14.049) 16.307 4.841 ( -4.808 -7.202 -4.472) 9.746 5.143 ( 3.457 5.546 -4.166) 7.751 5.236 ( -1.967 -3.501 -0.518) 4.049 5.447 ( 2.302 3.181 2.603) 4.711 5.572 ( -3.857 1.235 -4.799) 6.280 5.630 ( 4.049 2.668 2.367) 5.396 6.121 ( 2.606 2.688 6.004) 7.075 6.325 ( -5.468 -7.656 -1.334) 9.502 6.406 ( -0.049 3.069 10.282) 10.731 6.473 ( 0.578 4.563 -4.859) 6.690 6.699 ( 3.376 -1.432 -5.481) 6.594 6.882 ( 5.427 0.333 -1.890) 5.756 6.956 ( -8.649 -3.144 -0.208) 9.205 7.149 ( 1.892 4.940 2.100) 5.692 7.580 ( -4.248 3.328 4.770) 7.203 7.716 ( 5.669 -3.057 -0.197) 6.444 7.727 ( -2.674 0.332 -0.952) 2.857 7.821 ( 2.570 -0.665 3.022) 4.022 7.956 ( -1.179 0.446 1.383) 1.872 8.034 ( -2.509 -1.013 -3.245) 4.225 8.295 ( 3.734 -3.011 0.996) 4.899 8.322 ( -5.087 -0.496 2.278) 5.596 8.495 ( 3.871 0.019 -1.408) 4.119 8.662 ( -0.165 -3.312 -8.613) 9.229 8.813 ( -0.300 -0.390 -2.089) 2.146 8.947 ( -0.751 0.543 0.679) 1.149 9.134 ( -0.757 2.008 1.200) 2.459 9.257 ( -0.213 2.745 -0.251) 2.764 9.821 ( -0.089 1.365 1.204) 1.822 9.832 ( 0.315 -0.266 0.991) 1.073 9.903 ( 1.291 -1.817 -3.236) 3.929 10.049 ( 1.057 2.733 2.256) 3.698 10.532 ( -0.645 2.606 0.889) 2.828 10.827 ( -2.428 1.231 0.982) 2.894 10.930 ( 2.575 -1.670 -2.215) 3.785 11.138 ( 0.013 1.738 0.456) 1.797 11.207 ( -1.110 -4.546 0.583) 4.716 11.494 ( 4.554 -4.809 -6.504) 9.282 11.569 ( -2.526 -3.394 -1.576) 4.515 11.863 ( -2.331 -3.561 -2.414) 4.892 13.463 ( -1.185 -4.253 -1.888) 4.801 13.966 ( 1.072 -5.185 -4.813) 7.155 15.329 ( 0.440 4.818 -2.058) 5.258 15.768 ( 1.420 36.111 -9.356) 37.330 16.019 ( -3.280 -16.088 9.339) 18.889 16.430 ( 3.180 -1.114 21.423) 21.687 16.517 ( 2.285 -13.816 1.114) 14.048 17.021 ( -4.135 6.599 -10.262) 12.882 19.114 ( 4.880 -6.233 -6.993) 10.562 19.395 ( -4.221 6.500 9.175) 12.011 21.289 ( 0.126 -0.412 -0.387) 0.579 21.733 ( -0.050 0.695 0.673) 0.968 ======================= Grid point 25 (20/60) ======================= q-point: (-0.43 0.43 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.105 ( -4.302 0.314 -1.075) 4.445 2.218 ( -5.468 -0.620 -2.081) 5.883 2.414 ( -6.511 -0.219 1.053) 6.599 2.595 ( 1.182 4.172 1.588) 4.618 3.529 ( -10.679 -1.463 -2.924) 11.168 3.628 ( -6.373 -5.394 1.685) 8.517 3.821 ( 3.263 6.693 4.126) 8.513 4.075 ( 13.487 -0.453 -6.635) 15.038 4.748 ( -2.659 -7.190 10.116) 12.693 5.113 ( -2.900 -3.907 -1.059) 4.980 5.278 ( 5.637 8.115 -3.255) 10.404 5.477 ( 1.472 -0.630 -1.690) 2.329 5.583 ( 3.702 1.631 3.136) 5.119 5.717 ( 7.784 0.601 -5.358) 9.469 6.124 ( -12.339 -1.490 -4.431) 13.195 6.236 ( -0.697 2.342 5.496) 6.015 6.399 ( -2.970 -7.437 -1.191) 8.097 6.506 ( -3.350 5.467 5.386) 8.374 6.660 ( 2.803 -1.795 -4.644) 5.714 6.790 ( -3.916 -1.566 2.101) 4.712 7.023 ( 1.728 4.424 -0.585) 4.785 7.239 ( 7.487 1.105 -1.007) 7.635 7.623 ( 1.707 -1.932 0.196) 2.586 7.663 ( -1.610 0.161 -2.858) 3.284 7.753 ( 2.059 0.368 2.917) 3.589 7.842 ( -3.480 0.969 -4.240) 5.570 7.968 ( 1.804 -0.139 5.461) 5.753 8.017 ( 1.015 0.085 0.872) 1.341 8.279 ( -7.345 2.601 5.498) 9.536 8.326 ( 6.212 -6.359 -2.634) 9.271 8.520 ( 1.293 0.119 -4.607) 4.786 8.619 ( 5.437 1.932 -0.223) 5.774 8.798 ( 0.214 -0.799 0.820) 1.165 8.951 ( -0.731 1.076 -0.303) 1.335 9.144 ( -0.790 0.115 0.963) 1.251 9.260 ( -0.987 0.533 0.196) 1.139 9.801 ( -2.754 -0.518 0.163) 2.807 9.855 ( 1.372 -1.279 0.604) 1.971 9.888 ( 1.409 0.129 -2.288) 2.690 10.098 ( 2.341 -0.121 -0.627) 2.426 10.535 ( -1.746 2.184 -0.755) 2.897 10.845 ( -1.083 1.269 2.790) 3.251 10.919 ( 3.048 -3.116 -2.229) 4.896 11.132 ( -1.772 1.393 0.411) 2.291 11.182 ( -0.702 -1.585 2.009) 2.654 11.456 ( 4.248 -1.170 -5.415) 6.981 11.558 ( 1.001 -0.388 3.955) 4.098 11.874 ( 5.238 2.406 0.715) 5.809 13.518 ( 11.402 2.039 -0.259) 11.586 13.914 ( 0.114 2.860 -2.864) 4.049 15.303 ( -4.502 -14.676 9.528) 18.067 15.844 ( -7.522 -17.780 5.028) 19.950 15.975 ( -0.846 25.751 -7.364) 26.797 16.431 ( -2.331 -7.765 2.386) 8.452 16.564 ( -1.994 18.239 -20.658) 27.629 17.022 ( 5.971 -7.233 13.967) 16.824 18.965 ( -9.684 -1.774 -4.872) 10.985 19.518 ( 4.484 0.537 4.447) 6.338 21.281 ( -0.414 -0.073 -0.096) 0.431 21.739 ( -0.283 -0.018 0.080) 0.295 ======================= Grid point 26 (21/60) ======================= q-point: (-0.29 0.43 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.935 ( -17.054 1.511 0.732) 17.136 2.053 ( -13.475 2.029 -1.295) 13.688 2.309 ( -0.303 -4.381 -3.960) 5.914 2.656 ( 7.578 -2.261 -9.068) 12.032 3.278 ( -11.128 0.471 -2.495) 11.414 3.464 ( -15.208 -2.351 4.046) 15.912 4.028 ( 6.001 13.594 2.477) 15.064 4.267 ( 14.876 0.669 0.243) 14.893 4.816 ( -7.958 -10.611 21.233) 25.036 5.050 ( 1.079 0.545 -2.779) 3.030 5.378 ( 5.105 6.190 -6.375) 10.248 5.463 ( 4.559 -4.333 -3.844) 7.371 5.705 ( 6.709 -0.624 -0.647) 6.769 5.778 ( 2.538 3.755 -4.662) 6.502 5.854 ( -4.994 1.280 -3.104) 6.017 6.245 ( -4.954 -7.717 1.820) 9.349 6.291 ( -1.964 -3.704 1.246) 4.374 6.605 ( 4.174 5.392 2.563) 7.285 6.653 ( -0.457 1.064 1.664) 2.027 6.800 ( 0.875 -0.424 0.521) 1.103 7.018 ( -2.068 5.515 -1.643) 6.114 7.320 ( 7.250 -7.743 -4.127) 11.382 7.517 ( -6.054 1.508 -2.578) 6.751 7.614 ( -0.933 -2.772 -4.030) 4.979 7.734 ( -2.116 -0.038 -5.138) 5.557 7.897 ( 3.869 3.149 3.339) 6.003 8.032 ( 3.595 0.686 -3.797) 5.274 8.109 ( 4.685 -2.263 9.029) 10.421 8.198 ( -6.676 -2.433 -0.879) 7.159 8.345 ( 0.898 1.296 1.395) 2.106 8.592 ( 7.566 1.083 1.469) 7.784 8.686 ( 0.673 3.529 1.609) 3.937 8.813 ( -0.737 -1.133 3.005) 3.295 8.925 ( -1.470 -0.076 -1.223) 1.914 9.125 ( -2.181 -0.458 -1.180) 2.522 9.269 ( 0.404 -0.962 1.867) 2.139 9.773 ( -2.745 2.206 1.822) 3.965 9.866 ( 2.190 -0.063 -2.060) 3.007 9.877 ( 0.244 -3.085 1.653) 3.509 10.130 ( 4.875 0.127 -1.888) 5.229 10.503 ( -2.795 1.448 -1.307) 3.409 10.833 ( -1.931 0.360 -1.688) 2.590 10.912 ( -0.365 -4.159 1.071) 4.311 11.164 ( 0.693 4.071 1.555) 4.413 11.185 ( 2.508 -3.312 -0.211) 4.160 11.466 ( 2.048 3.641 -3.071) 5.185 11.676 ( 3.668 2.670 7.144) 8.462 12.052 ( 7.779 5.464 4.848) 10.671 13.791 ( 15.509 8.690 -1.057) 17.809 13.978 ( 5.635 9.254 1.732) 10.972 15.173 ( -10.415 -27.882 16.942) 34.248 15.624 ( -4.194 -22.278 5.700) 23.375 16.038 ( -2.915 18.864 -8.977) 21.094 16.302 ( -6.533 4.978 -19.368) 21.038 16.412 ( -0.370 14.598 -9.799) 17.586 17.216 ( 5.417 -13.198 8.871) 16.800 18.728 ( -19.675 6.861 2.689) 21.009 19.627 ( 10.224 -5.369 -2.400) 11.795 21.275 ( -0.808 0.233 0.450) 0.954 21.726 ( -0.689 -0.564 -0.553) 1.048 ======================= Grid point 27 (22/60) ======================= q-point: (-0.14 0.43 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.713 ( -20.461 4.065 8.082) 22.371 1.885 ( -16.103 9.490 3.267) 18.975 2.238 ( 7.710 -7.877 -7.937) 13.582 2.500 ( 3.117 -9.916 -14.489) 17.832 3.229 ( -12.429 5.892 5.230) 14.716 3.281 ( -7.199 0.811 4.953) 8.776 4.248 ( 1.884 16.794 1.199) 16.941 4.485 ( 11.641 -2.407 1.615) 11.997 4.844 ( -6.534 -10.425 17.461) 21.361 5.049 ( -1.277 -1.371 -1.299) 2.279 5.271 ( 2.213 -7.619 -7.729) 11.076 5.547 ( 8.063 3.652 -2.063) 9.089 5.684 ( -0.269 14.117 -12.583) 18.913 5.789 ( 4.127 -5.450 4.434) 8.148 5.945 ( 0.842 4.229 -4.179) 6.005 6.113 ( -0.621 -5.191 -1.639) 5.478 6.293 ( 6.156 -8.499 5.660) 11.924 6.631 ( -1.860 -2.403 0.818) 3.147 6.765 ( -1.999 -3.323 4.099) 5.643 6.825 ( 5.348 8.163 1.958) 9.954 7.087 ( 4.329 8.967 -2.693) 10.315 7.209 ( 0.484 -11.831 -3.042) 12.226 7.399 ( -6.423 4.021 -8.669) 11.514 7.535 ( -0.024 -0.559 -4.961) 4.993 7.623 ( -4.417 -3.601 -2.088) 6.069 7.952 ( -0.993 -1.239 1.080) 1.920 8.011 ( -1.577 -0.959 -2.258) 2.917 8.115 ( 1.854 -0.068 -0.097) 1.858 8.244 ( 3.718 -3.998 2.192) 5.884 8.379 ( -1.662 2.974 2.825) 4.426 8.698 ( 3.731 -0.336 2.839) 4.700 8.819 ( 0.100 4.136 4.450) 6.077 8.844 ( 2.161 3.001 3.606) 5.165 8.901 ( 0.940 0.794 -0.777) 1.455 9.054 ( -1.568 -1.497 -2.924) 3.640 9.252 ( -2.294 -3.691 -0.203) 4.350 9.791 ( -1.707 2.814 0.276) 3.303 9.876 ( -0.744 1.397 3.981) 4.284 9.925 ( 5.275 -1.090 1.102) 5.498 10.183 ( 3.188 0.254 -1.123) 3.389 10.452 ( -3.561 1.152 -0.406) 3.765 10.771 ( -3.856 0.162 -0.746) 3.931 10.871 ( -0.148 -2.660 -0.655) 2.744 11.148 ( 0.481 -2.645 -2.920) 3.969 11.287 ( 6.941 1.432 2.545) 7.530 11.466 ( -1.799 2.788 -2.794) 4.338 11.882 ( 4.833 5.783 8.544) 11.393 12.243 ( 3.987 1.968 2.757) 5.232 14.007 ( 4.794 21.063 -3.840) 21.940 14.291 ( 15.676 -1.557 5.732) 16.764 14.995 ( -9.825 -22.184 17.133) 29.702 15.534 ( 3.343 -12.758 5.060) 14.126 15.929 ( -6.342 -6.671 -16.543) 18.931 16.095 ( -0.413 23.410 -7.036) 24.448 16.442 ( 0.066 11.285 -4.730) 12.236 17.059 ( -7.052 -23.049 -6.511) 24.967 18.670 ( -16.166 16.797 15.174) 27.816 19.639 ( 10.482 -10.896 -9.931) 18.089 21.273 ( -0.777 0.239 0.788) 1.132 21.699 ( -0.907 -0.542 -0.767) 1.305 ======================= Grid point 57 (23/60) ======================= q-point: ( 0.14 0.14 0.14) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( -0.000 0.000 27.118) 27.118 1.049 ( -0.000 0.000 27.118) 27.118 1.956 ( -0.000 0.000 44.343) 44.343 2.666 ( 0.000 -0.000 -5.968) 5.968 3.061 ( -0.000 0.000 4.750) 4.750 3.061 ( 0.000 0.000 4.750) 4.750 4.487 ( 0.000 0.000 3.907) 3.907 4.487 ( -0.000 0.000 3.907) 3.907 5.162 ( -0.000 0.000 4.951) 4.951 5.162 ( -0.000 0.000 4.951) 4.951 5.504 ( 0.000 -0.000 -11.288) 11.288 5.717 ( -0.000 0.000 2.091) 2.091 5.731 ( 0.000 -0.000 -17.231) 17.231 5.731 ( 0.000 -0.000 -17.231) 17.231 5.761 ( 0.000 -0.000 -9.764) 9.764 6.459 ( 0.000 -0.000 -7.821) 7.821 6.459 ( 0.000 -0.000 -7.821) 7.821 6.715 ( -0.000 0.000 12.080) 12.080 6.878 ( 0.000 -0.000 -4.198) 4.198 6.878 ( 0.000 -0.000 -4.198) 4.198 6.972 ( 0.000 -0.000 -1.683) 1.683 7.091 ( -0.000 0.000 3.820) 3.820 7.091 ( -0.000 0.000 3.820) 3.820 7.516 ( -0.000 0.000 5.422) 5.422 7.741 ( -0.000 0.000 1.165) 1.165 7.741 ( 0.000 0.000 1.165) 1.165 7.839 ( 0.000 -0.000 -1.801) 1.801 8.456 ( 0.000 -0.000 -0.973) 0.973 8.456 ( 0.000 -0.000 -0.973) 0.973 8.524 ( 0.000 -0.000 -0.460) 0.460 8.524 ( 0.000 -0.000 -0.460) 0.460 8.705 ( -0.000 0.000 0.163) 0.163 8.799 ( -0.000 0.000 5.314) 5.314 9.107 ( 0.000 -0.000 -6.082) 6.082 9.107 ( 0.000 -0.000 -6.082) 6.082 9.295 ( 0.000 -0.000 -3.791) 3.791 9.582 ( -0.000 -0.000 0.557) 0.557 9.582 ( 0.000 0.000 0.557) 0.557 10.093 ( 0.000 0.000 -0.113) 0.113 10.093 ( 0.000 0.000 -0.113) 0.113 10.180 ( 0.000 -0.000 -1.751) 1.751 10.820 ( -0.000 0.000 3.174) 3.174 11.168 ( 0.000 -0.000 -6.142) 6.142 11.168 ( 0.000 -0.000 -6.142) 6.142 11.208 ( -0.000 0.000 9.637) 9.637 11.778 ( -0.000 0.000 1.533) 1.533 11.778 ( -0.000 0.000 1.533) 1.533 12.330 ( 0.000 -0.000 -1.046) 1.046 14.200 ( 0.000 -0.000 -5.697) 5.697 14.200 ( 0.000 -0.000 -5.697) 5.697 15.278 ( 0.000 -0.000 -18.678) 18.678 15.278 ( 0.000 -0.000 -18.678) 18.678 15.681 ( -0.000 0.000 3.597) 3.597 16.153 ( -0.000 0.000 7.414) 7.414 16.153 ( -0.000 0.000 7.414) 7.414 17.675 ( -0.000 0.000 22.959) 22.959 17.675 ( -0.000 0.000 22.959) 22.959 19.959 ( 0.000 -0.000 -13.422) 13.422 21.287 ( -0.000 0.000 2.673) 2.673 21.651 ( -0.000 0.000 0.757) 0.757 ======================= Grid point 58 (24/60) ======================= q-point: ( 0.29 0.14 0.14) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( 5.462 5.520 23.518) 24.767 1.523 ( 10.970 0.577 24.624) 26.963 2.502 ( -3.773 -2.669 0.989) 4.726 2.623 ( 7.816 8.141 25.519) 27.903 2.903 ( -13.069 -4.799 0.915) 13.952 3.284 ( 9.047 1.477 4.972) 10.429 4.369 ( -4.769 -5.471 1.360) 7.384 4.717 ( 4.161 4.483 7.470) 9.655 5.119 ( -12.585 4.283 -4.012) 13.886 5.231 ( 0.799 -0.650 4.048) 4.177 5.252 ( -7.505 0.047 -7.734) 10.777 5.316 ( 0.164 -15.854 -17.155) 23.360 5.574 ( -2.432 0.287 -6.388) 6.841 5.795 ( 6.698 8.617 -4.411) 11.772 5.854 ( 12.790 1.661 -9.545) 16.045 6.249 ( -5.792 -7.219 -3.820) 10.013 6.394 ( -6.108 0.635 -1.042) 6.229 6.793 ( 1.673 -2.795 -1.071) 3.429 6.833 ( -3.914 2.542 -2.690) 5.387 6.896 ( 2.341 0.764 -0.207) 2.472 6.917 ( -2.674 4.724 -0.038) 5.428 7.112 ( -1.298 -0.322 4.098) 4.311 7.251 ( 8.071 -1.134 5.635) 9.908 7.545 ( -2.135 -3.064 3.156) 4.890 7.694 ( -2.793 5.306 3.721) 7.057 7.766 ( 0.779 -6.475 -2.001) 6.822 7.928 ( 5.741 4.523 2.238) 7.644 8.247 ( -11.568 -5.972 -3.108) 13.384 8.364 ( -6.257 -4.109 -1.228) 7.586 8.536 ( 4.251 -0.678 -2.342) 4.901 8.615 ( 0.900 7.196 1.923) 7.502 8.758 ( 5.229 1.649 -1.056) 5.584 8.908 ( 0.751 2.954 3.969) 5.004 8.991 ( 0.978 -4.306 -6.490) 7.850 9.066 ( 2.688 -1.558 -4.782) 5.703 9.150 ( -7.148 -0.764 -1.609) 7.367 9.649 ( 6.605 -0.329 1.780) 6.849 9.682 ( 4.827 5.583 -0.729) 7.416 10.037 ( -1.873 -1.142 -2.838) 3.587 10.095 ( -1.475 3.329 -1.161) 3.822 10.251 ( 7.166 1.144 0.683) 7.289 10.858 ( -0.031 -0.134 1.940) 1.945 11.002 ( -5.772 -5.811 -0.588) 8.211 11.144 ( -0.361 5.097 -4.009) 6.495 11.259 ( -2.636 -3.631 3.892) 5.940 11.752 ( -3.199 -2.416 -2.130) 4.539 11.845 ( 6.684 4.236 -3.600) 8.694 12.260 ( -2.611 -1.823 -3.802) 4.960 13.973 ( 2.284 -8.558 -6.276) 10.856 14.384 ( 8.003 12.821 -8.406) 17.294 14.936 ( -11.057 6.496 -15.513) 20.128 15.118 ( 13.152 -5.448 -20.868) 25.261 15.746 ( -1.193 -0.323 9.711) 9.789 16.313 ( -5.093 6.023 12.590) 14.857 16.355 ( 10.283 -4.147 13.172) 17.218 17.465 ( -25.656 -10.953 15.937) 32.128 18.382 ( 22.550 8.571 20.938) 31.943 19.718 ( -7.008 -1.406 -15.019) 16.633 21.305 ( -0.749 -0.270 1.408) 1.618 21.670 ( 0.391 0.202 1.369) 1.438 ======================= Grid point 59 (25/60) ======================= q-point: ( 0.43 0.14 0.14) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.825 ( 5.886 8.133 17.157) 19.878 1.981 ( 12.398 -3.204 20.093) 23.826 2.239 ( -14.089 -6.698 -2.922) 15.872 2.622 ( -16.295 -8.114 -0.667) 18.215 3.161 ( 8.645 12.039 12.529) 19.407 3.407 ( 1.180 -4.336 2.043) 4.936 4.308 ( 2.530 -4.923 -0.879) 5.604 4.732 ( -3.362 -2.770 -11.220) 12.036 4.810 ( -17.137 6.509 -10.900) 21.327 5.029 ( 3.739 -5.895 -1.918) 7.240 5.210 ( -3.879 3.608 0.971) 5.386 5.364 ( 7.800 -0.601 3.537) 8.585 5.555 ( 4.840 0.003 -0.207) 4.844 5.882 ( 11.330 6.851 -12.424) 18.156 5.943 ( 2.341 0.620 5.336) 5.860 6.095 ( -4.999 -5.195 0.274) 7.214 6.261 ( -11.194 -3.048 4.651) 12.499 6.736 ( -7.768 0.309 0.238) 7.778 6.768 ( -2.155 -5.180 -2.662) 6.210 6.898 ( 8.365 4.488 -3.817) 10.232 6.984 ( -1.176 6.960 -0.841) 7.108 7.141 ( 0.722 -0.552 3.203) 3.329 7.428 ( 9.559 -7.631 6.461) 13.833 7.555 ( -2.544 0.200 5.938) 6.463 7.621 ( -6.972 -3.468 2.641) 8.222 7.850 ( 5.552 6.523 0.829) 8.606 8.045 ( -0.066 -1.750 -4.752) 5.065 8.070 ( -1.115 1.268 7.042) 7.242 8.210 ( -5.711 -2.728 -3.777) 7.371 8.501 ( -0.380 -3.121 -5.298) 6.161 8.697 ( -1.841 6.419 0.715) 6.716 8.820 ( 2.929 -0.108 -2.501) 3.854 8.874 ( 1.420 -3.004 -3.548) 4.861 8.945 ( -1.349 2.940 -3.105) 4.484 9.066 ( -2.254 3.967 -0.920) 4.654 9.090 ( 5.966 -6.416 0.724) 8.791 9.782 ( 2.738 2.635 1.902) 4.249 9.795 ( 7.186 2.632 1.349) 7.771 9.952 ( -2.737 0.171 -4.475) 5.249 10.098 ( 1.026 3.971 -1.942) 4.538 10.380 ( 6.465 0.723 1.070) 6.593 10.848 ( -0.667 -1.980 -0.750) 2.220 10.895 ( -4.663 -2.269 1.270) 5.339 11.134 ( -1.648 1.853 0.768) 2.596 11.250 ( 0.866 -0.302 -0.270) 0.956 11.611 ( -5.971 -3.610 -2.340) 7.360 11.894 ( 3.776 4.995 -8.605) 10.642 12.170 ( 2.139 -2.541 -5.851) 6.728 13.938 ( 11.508 -7.987 -4.864) 14.828 14.409 ( 0.228 13.732 -13.926) 19.559 14.684 ( -4.216 -1.122 -11.234) 12.052 15.134 ( 13.300 10.768 -11.653) 20.704 15.863 ( -0.465 -1.081 10.181) 10.248 16.405 ( -2.998 -4.696 11.949) 13.184 16.672 ( 6.489 -1.459 19.635) 20.731 17.143 ( -26.464 -9.646 10.125) 29.932 18.966 ( 14.834 4.490 12.210) 19.731 19.374 ( -8.905 -1.343 -13.553) 16.272 21.298 ( -1.012 -0.345 0.123) 1.076 21.695 ( 0.173 0.047 1.628) 1.638 ======================= Grid point 60 (26/60) ======================= q-point: (-0.43 0.14 0.14) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( -18.623 -11.619 -2.072) 22.048 2.104 ( -18.538 -4.305 2.853) 19.244 2.279 ( 4.939 4.722 10.586) 12.600 2.497 ( 9.666 -6.129 13.417) 17.636 3.198 ( -12.771 -10.629 -5.790) 17.595 3.360 ( -6.371 4.711 -1.566) 8.077 4.273 ( 7.194 -9.091 -11.360) 16.231 4.558 ( 4.635 2.809 -8.932) 10.447 4.561 ( -12.952 11.466 -1.486) 17.362 5.056 ( -1.006 -5.616 5.065) 7.630 5.261 ( 4.654 2.208 4.040) 6.546 5.493 ( 7.578 2.627 -4.094) 9.005 5.665 ( 7.841 -0.353 0.317) 7.855 5.978 ( 4.857 4.239 -0.644) 6.479 6.038 ( 3.377 -0.712 -0.463) 3.482 6.056 ( -4.169 8.496 5.559) 10.975 6.189 ( -2.831 -1.405 6.961) 7.645 6.582 ( -3.348 -4.060 -6.676) 8.501 6.710 ( -1.157 -2.689 2.590) 3.909 6.927 ( -2.041 5.144 -3.044) 6.316 7.036 ( 4.497 -7.508 2.867) 9.210 7.283 ( 3.684 12.112 5.157) 13.670 7.463 ( 1.527 -13.889 3.600) 14.429 7.580 ( -3.497 2.872 -0.058) 4.525 7.660 ( 0.345 1.077 11.099) 11.156 7.900 ( -2.532 -0.315 -2.374) 3.485 8.041 ( -1.213 -2.744 -4.163) 5.132 8.073 ( 6.359 2.567 0.060) 6.858 8.207 ( 0.978 2.477 4.471) 5.204 8.372 ( -2.259 -0.599 -5.021) 5.538 8.668 ( -0.966 0.731 -5.392) 5.526 8.770 ( -1.419 -1.617 -1.413) 2.573 8.891 ( 2.328 -1.466 0.692) 2.837 8.922 ( -2.964 7.930 -4.361) 9.523 9.070 ( 0.291 -0.700 1.926) 2.069 9.144 ( 5.770 -3.737 -0.438) 6.889 9.801 ( -0.536 -2.266 -2.325) 3.290 9.846 ( -4.138 2.301 -4.014) 6.208 9.948 ( 4.519 6.125 2.791) 8.106 10.149 ( 4.209 0.756 -1.086) 4.412 10.440 ( 0.848 -2.458 -0.442) 2.638 10.807 ( -3.208 -3.624 1.636) 5.109 10.879 ( 0.731 3.843 2.578) 4.685 11.138 ( -0.467 -0.946 -0.266) 1.088 11.265 ( 2.867 2.790 -1.781) 4.379 11.534 ( -1.624 -1.696 4.114) 4.737 11.833 ( 0.529 4.717 -11.261) 12.221 12.127 ( 5.515 -1.987 -8.157) 10.045 14.048 ( 16.497 -3.958 -3.675) 17.359 14.319 ( 7.742 2.440 -19.521) 21.142 14.530 ( -10.384 9.240 0.119) 13.900 15.350 ( 12.199 18.212 -5.693) 22.647 15.937 ( 0.533 -3.948 4.220) 5.803 16.426 ( -4.550 -11.552 8.170) 14.863 16.809 ( -21.458 -4.085 8.060) 23.283 17.011 ( 3.348 -6.579 26.226) 27.245 18.766 ( -21.410 -3.854 -15.959) 26.980 19.519 ( 16.256 3.545 5.931) 17.664 21.275 ( -1.201 -0.526 -0.456) 1.388 21.711 ( -0.562 -0.391 1.352) 1.515 ======================= Grid point 61 (27/60) ======================= q-point: (-0.29 0.14 0.14) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( -20.997 -14.278 3.324) 25.609 1.650 ( -26.258 -13.327 -1.111) 29.467 2.530 ( -5.064 -0.090 5.791) 7.693 2.684 ( -18.367 -9.521 2.480) 20.836 2.779 ( 7.159 -7.430 8.738) 13.521 3.159 ( -10.086 1.218 -11.276) 15.178 4.171 ( 7.348 -0.656 -11.370) 13.554 4.540 ( -5.953 5.764 8.709) 12.021 4.678 ( 9.783 6.724 -2.413) 12.114 5.015 ( -2.426 -3.373 0.797) 4.231 5.451 ( 4.652 -1.616 6.874) 8.455 5.538 ( 12.015 6.825 -12.752) 18.803 5.725 ( 3.625 -1.415 -4.010) 5.588 6.075 ( -1.688 4.917 6.379) 8.229 6.112 ( 4.768 -0.431 -0.347) 4.800 6.154 ( 3.623 7.387 3.426) 8.912 6.329 ( 4.363 3.374 5.023) 7.459 6.474 ( 4.557 -2.629 -3.320) 6.220 6.695 ( -4.657 1.454 2.012) 5.277 6.911 ( -1.206 5.527 -2.991) 6.399 7.088 ( 8.758 -9.260 2.411) 12.972 7.371 ( -5.703 -4.313 3.060) 7.778 7.418 ( -2.534 -2.435 -1.675) 3.893 7.562 ( -4.965 2.092 2.888) 6.113 7.781 ( -1.857 3.999 2.241) 4.946 7.842 ( -0.185 0.342 -0.186) 0.431 7.922 ( 0.796 -4.024 -3.672) 5.506 8.207 ( -0.022 0.736 0.082) 0.740 8.237 ( 8.260 3.615 -0.081) 9.016 8.418 ( 2.926 2.883 3.942) 5.693 8.594 ( 0.112 -0.152 -5.114) 5.118 8.719 ( -2.349 -2.845 0.422) 3.713 8.875 ( -4.495 6.231 -2.784) 8.172 8.902 ( -0.901 -3.195 1.907) 3.828 9.102 ( 3.399 -0.887 0.312) 3.527 9.183 ( 2.605 -0.251 -0.747) 2.721 9.734 ( -1.043 2.236 -4.671) 5.283 9.758 ( -2.545 -3.183 -0.200) 4.081 10.098 ( 0.859 6.918 2.057) 7.268 10.180 ( 4.870 -3.620 -0.648) 6.103 10.377 ( -2.879 -3.622 -0.861) 4.706 10.733 ( -5.809 -3.174 2.173) 6.967 10.982 ( -1.697 2.274 3.543) 4.539 11.128 ( 5.401 1.175 -1.720) 5.789 11.333 ( 3.010 2.258 -1.090) 3.917 11.609 ( 1.473 -0.873 6.811) 7.023 11.768 ( 3.478 5.368 -6.865) 9.383 12.076 ( 3.963 -0.086 -9.712) 10.490 14.098 ( 11.037 -6.684 -16.401) 20.868 14.395 ( 22.650 4.732 -5.920) 23.885 14.524 ( -13.357 15.621 9.288) 22.554 15.655 ( 12.186 20.326 -1.645) 23.756 15.920 ( 2.628 -7.780 -1.917) 8.433 16.222 ( -12.747 -11.811 1.353) 17.430 16.667 ( -6.469 -8.302 5.386) 11.823 17.314 ( -4.664 -3.960 28.936) 29.576 18.147 ( -25.333 -10.055 -14.615) 30.926 19.802 ( 11.179 6.068 -0.610) 12.735 21.247 ( -1.263 -0.688 -0.012) 1.439 21.704 ( -1.363 -0.789 0.625) 1.694 ======================= Grid point 62 (28/60) ======================= q-point: (-0.14 0.14 0.14) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.042 ( -18.137 -16.123 14.610) 28.326 1.126 ( -24.921 -18.495 3.602) 31.243 1.977 ( -41.829 -18.074 15.984) 48.289 2.791 ( 3.503 6.107 1.712) 7.245 2.869 ( -1.858 -2.488 -8.465) 9.017 2.970 ( 2.080 -2.101 6.213) 6.881 4.197 ( 8.616 2.405 -5.800) 10.662 4.620 ( -6.298 0.473 10.806) 12.517 4.857 ( 10.017 5.384 -1.541) 11.476 5.010 ( 1.172 2.064 2.165) 3.213 5.460 ( 3.269 4.611 -7.870) 9.689 5.654 ( 2.175 -0.002 -4.847) 5.313 5.732 ( 11.734 0.916 -6.201) 13.303 6.086 ( 4.425 -8.028 -6.831) 11.432 6.178 ( -0.568 4.428 2.985) 5.370 6.327 ( 0.099 8.283 5.131) 9.744 6.432 ( 4.927 -0.868 1.169) 5.138 6.513 ( 2.069 0.737 -2.788) 3.549 6.776 ( 3.120 9.023 7.098) 11.897 6.903 ( -0.259 4.530 -2.519) 5.189 7.175 ( 7.266 -2.921 -4.773) 9.171 7.198 ( -5.545 -7.191 -4.773) 10.259 7.333 ( -4.879 -2.570 1.671) 5.762 7.469 ( -8.709 -4.438 2.305) 10.043 7.655 ( -4.999 4.708 -7.594) 10.238 7.856 ( 1.220 -0.344 -1.876) 2.264 7.969 ( 0.862 -3.701 3.156) 4.940 8.271 ( 5.023 5.466 -1.226) 7.524 8.381 ( 5.710 -0.932 4.720) 7.467 8.497 ( 0.788 4.439 -3.863) 5.936 8.526 ( -0.823 0.013 -4.156) 4.236 8.670 ( -3.006 -2.470 3.187) 5.030 8.857 ( -1.965 0.832 2.705) 3.446 8.904 ( -1.471 -1.620 8.157) 8.446 9.156 ( 4.989 -0.153 -2.438) 5.555 9.203 ( 1.502 1.736 -1.482) 2.733 9.656 ( -4.880 -1.087 -0.580) 5.033 9.768 ( 4.025 -0.154 0.098) 4.029 10.098 ( -0.918 -0.299 -1.465) 1.755 10.254 ( 3.742 1.221 -2.864) 4.868 10.296 ( -3.935 -4.592 2.318) 6.477 10.666 ( -4.192 -0.926 5.524) 6.996 10.928 ( -4.150 -3.004 -1.188) 5.259 11.263 ( 5.265 4.391 1.350) 6.987 11.322 ( -0.415 0.822 -4.970) 5.055 11.667 ( 1.693 -1.394 2.056) 3.006 11.878 ( 6.598 -0.509 -1.497) 6.785 12.050 ( 2.785 7.788 -0.912) 8.321 14.012 ( 12.837 -6.618 -14.288) 20.316 14.573 ( -9.384 7.457 12.507) 17.323 14.803 ( 22.780 11.453 -1.689) 25.553 15.824 ( -8.850 -5.412 1.269) 10.450 15.863 ( 4.588 8.445 -13.203) 16.330 16.173 ( 13.552 1.154 3.821) 14.127 16.452 ( -6.877 -14.653 -6.859) 17.580 17.345 ( -31.199 10.113 -2.975) 32.932 17.683 ( -6.589 -26.673 22.550) 35.544 19.954 ( 5.524 10.382 -5.160) 12.842 21.229 ( -1.066 -0.616 1.086) 1.642 21.677 ( -1.566 -0.841 -0.017) 1.778 ======================= Grid point 65 (29/60) ======================= q-point: ( 0.29 0.29 0.14) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.677 ( 1.910 1.860 23.541) 23.692 1.841 ( -4.104 9.488 22.317) 24.595 2.503 ( -0.344 -4.634 -1.052) 4.764 2.879 ( 2.754 -8.131 4.059) 9.496 2.983 ( 1.649 6.429 15.253) 16.634 3.347 ( -2.346 9.874 5.307) 11.452 4.312 ( -1.492 -17.238 1.131) 17.339 4.803 ( -1.432 -16.069 -18.114) 24.256 4.889 ( 1.987 13.543 2.217) 13.866 5.152 ( 6.826 -3.048 -3.706) 8.344 5.266 ( -0.232 -4.718 -16.906) 17.554 5.373 ( -2.700 4.969 3.963) 6.905 5.418 ( -2.237 5.928 -7.797) 10.047 5.633 ( -0.916 0.764 0.607) 1.339 5.873 ( -0.188 6.385 3.533) 7.299 6.273 ( -5.032 -2.795 1.304) 5.902 6.416 ( 6.182 2.263 2.864) 7.179 6.697 ( -3.163 -6.594 -4.877) 8.790 6.791 ( 3.078 -1.958 -3.270) 4.899 6.897 ( 0.558 -1.004 -1.746) 2.090 6.968 ( 3.628 0.871 3.335) 5.004 7.166 ( 0.165 -4.180 4.496) 6.141 7.302 ( -7.030 5.087 6.759) 10.999 7.617 ( 5.118 0.250 -0.869) 5.197 7.658 ( -3.207 0.425 4.275) 5.361 7.863 ( -4.855 8.031 -2.533) 9.721 7.920 ( 4.368 0.051 5.484) 7.011 8.246 ( 4.004 -8.966 -4.726) 10.898 8.387 ( -10.201 -7.534 -1.498) 12.770 8.439 ( 5.002 -3.364 0.952) 6.102 8.559 ( 4.163 1.907 -2.554) 5.243 8.774 ( -0.678 6.785 -2.199) 7.165 8.873 ( -0.190 -3.313 -1.531) 3.654 8.977 ( -0.307 2.734 -5.793) 6.413 9.006 ( -3.157 0.146 -0.249) 3.170 9.144 ( 1.436 -0.186 -1.747) 2.269 9.641 ( -0.882 3.753 2.138) 4.409 9.715 ( 0.482 6.208 2.685) 6.780 10.014 ( -1.825 -2.455 -2.647) 4.046 10.046 ( 4.479 -1.717 -2.623) 5.467 10.273 ( -1.825 8.672 0.488) 8.875 10.864 ( -0.185 -2.301 -0.098) 2.311 11.021 ( -4.349 -1.559 -1.313) 4.803 11.069 ( 5.397 1.555 -2.634) 6.203 11.342 ( -0.622 -4.634 4.316) 6.363 11.675 ( 0.878 -2.855 -5.736) 6.468 11.767 ( -0.312 2.348 -7.122) 7.506 12.169 ( -0.946 -6.800 -6.574) 9.506 13.809 ( -4.742 -12.583 -4.178) 14.081 14.274 ( 2.478 7.483 -15.950) 17.791 14.776 ( 7.557 10.591 -10.975) 17.021 14.936 ( -4.508 17.090 -18.219) 25.384 15.898 ( 0.089 2.467 10.538) 10.823 16.467 ( -1.687 -9.149 26.045) 27.656 16.594 ( -0.746 5.243 12.923) 13.966 17.626 ( 2.547 -31.710 11.506) 33.829 18.623 ( -2.657 24.842 16.114) 29.730 19.526 ( 1.578 -4.920 -16.388) 17.183 21.316 ( 0.099 -0.754 0.311) 0.821 21.692 ( -0.014 0.454 1.958) 2.010 ======================= Grid point 66 (30/60) ======================= q-point: ( 0.43 0.29 0.14) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.057 ( 7.879 2.938 20.189) 21.871 2.090 ( -2.637 2.434 14.035) 14.486 2.380 ( -10.232 -4.344 3.395) 11.623 2.700 ( -8.288 -13.353 -3.278) 16.054 3.296 ( 1.592 13.152 5.101) 14.197 3.489 ( -0.726 7.426 6.592) 9.957 4.142 ( 0.184 -17.886 -3.202) 18.171 4.414 ( 3.099 -9.770 -19.993) 22.467 4.914 ( -3.762 6.980 -14.753) 16.749 5.056 ( -3.145 2.179 2.217) 4.422 5.261 ( 7.022 -1.207 -0.326) 7.133 5.356 ( -2.701 2.861 -0.255) 3.942 5.434 ( 1.859 4.800 -0.736) 5.200 5.725 ( 7.168 -0.256 4.912) 8.693 6.010 ( 1.505 5.256 6.870) 8.780 6.191 ( -9.345 -2.298 5.315) 10.994 6.425 ( -7.049 -5.284 2.222) 9.086 6.712 ( -2.893 -4.451 -4.821) 7.171 6.720 ( 10.862 -0.425 -0.492) 10.882 6.865 ( -1.573 2.315 0.170) 2.804 7.038 ( 0.490 2.085 0.201) 2.151 7.132 ( -0.765 -7.538 1.464) 7.716 7.354 ( 0.114 2.081 6.656) 6.975 7.666 ( 0.107 2.232 -0.586) 2.310 7.732 ( -0.719 2.826 7.092) 7.668 7.849 ( 0.634 5.280 -0.083) 5.318 8.003 ( 0.469 0.488 -1.163) 1.345 8.125 ( -1.005 -10.803 -7.729) 13.322 8.229 ( -4.318 -1.104 7.096) 8.379 8.440 ( -2.426 1.924 -3.146) 4.414 8.634 ( 10.884 -6.877 -3.378) 13.310 8.750 ( -0.826 -2.215 -6.498) 6.915 8.812 ( -0.778 5.133 -1.323) 5.358 8.905 ( 0.868 -0.804 -2.361) 2.641 9.041 ( 0.108 1.544 3.114) 3.478 9.136 ( -1.971 3.932 -1.268) 4.577 9.748 ( 4.901 4.673 2.141) 7.102 9.815 ( 0.987 2.641 3.046) 4.151 9.936 ( -1.610 -0.178 -2.995) 3.405 10.057 ( 2.988 0.461 -3.412) 4.558 10.351 ( 1.947 6.700 0.368) 6.987 10.824 ( -0.433 -2.096 -1.235) 2.471 10.955 ( -2.987 -0.142 0.421) 3.020 11.130 ( 3.751 2.845 -1.644) 4.986 11.277 ( -5.240 -4.770 1.224) 7.191 11.600 ( -0.285 -2.413 -3.753) 4.471 11.710 ( 5.950 0.489 -10.703) 12.255 12.004 ( 0.687 -7.585 -6.890) 10.271 13.673 ( 5.617 -9.352 -2.543) 11.202 14.092 ( 3.201 -3.356 -18.678) 19.245 14.867 ( -5.944 26.263 -10.496) 28.900 14.980 ( 11.471 24.046 -8.225) 27.883 16.025 ( -3.608 -0.271 10.503) 11.109 16.562 ( -8.792 -10.113 16.069) 20.924 16.882 ( 5.481 -5.612 25.550) 26.728 17.384 ( -11.270 -26.905 5.368) 29.660 19.040 ( 7.092 17.198 11.171) 21.699 19.251 ( -4.440 -3.484 -17.366) 18.260 21.305 ( -0.571 -0.729 -0.342) 0.987 21.720 ( -0.097 0.206 1.957) 1.971 ======================= Grid point 67 (31/60) ======================= q-point: (-0.43 0.29 0.14) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.981 ( -17.833 -7.781 2.653) 19.636 2.345 ( -17.581 -11.366 -1.488) 20.987 2.417 ( 1.262 6.818 10.843) 12.870 2.441 ( 10.378 -5.588 12.310) 17.044 3.290 ( -10.608 4.368 -5.900) 12.900 3.524 ( -11.494 2.222 1.864) 11.855 3.933 ( 5.876 -8.443 -11.820) 15.669 4.347 ( 12.329 -1.675 -4.993) 13.407 4.785 ( -4.553 7.840 -2.266) 9.345 5.102 ( 0.079 -0.182 2.582) 2.589 5.248 ( -1.705 1.785 -2.698) 3.657 5.386 ( 4.633 -2.128 -0.727) 5.150 5.540 ( 5.840 6.803 -0.376) 8.974 5.912 ( 8.866 -0.495 3.018) 9.378 6.036 ( -7.188 -5.687 0.940) 9.214 6.179 ( 1.601 4.181 6.257) 7.694 6.364 ( -5.332 0.903 5.388) 7.634 6.537 ( -6.179 -2.031 -5.393) 8.450 6.745 ( 0.894 -4.931 1.469) 5.223 6.880 ( 0.181 -5.771 2.514) 6.297 7.014 ( -1.663 -3.383 -1.189) 3.952 7.250 ( 11.410 3.085 3.453) 12.314 7.487 ( 0.615 6.414 6.636) 9.250 7.648 ( -3.188 2.520 -2.539) 4.792 7.789 ( -2.212 -0.898 4.142) 4.781 7.922 ( 0.264 -7.780 -6.162) 9.928 7.942 ( 0.868 3.947 -0.254) 4.049 8.008 ( 2.893 2.610 0.007) 3.896 8.230 ( -1.848 -2.901 -1.451) 3.732 8.421 ( -2.774 4.843 4.742) 7.324 8.576 ( 1.308 -3.162 -7.264) 8.029 8.737 ( 5.385 -3.436 -1.752) 6.623 8.834 ( 2.154 -0.034 -0.009) 2.155 8.931 ( 2.295 1.522 -0.507) 2.800 9.056 ( -2.364 0.173 0.798) 2.501 9.150 ( -1.019 5.203 1.288) 5.456 9.781 ( -2.946 -1.199 -3.088) 4.434 9.861 ( 0.403 1.290 -0.873) 1.609 9.940 ( 4.188 1.834 1.078) 4.697 10.088 ( 3.125 2.823 -1.611) 4.509 10.411 ( 0.411 1.850 -1.040) 2.161 10.819 ( 1.453 1.194 -0.007) 1.880 10.947 ( -0.831 1.675 2.656) 3.248 11.152 ( -4.816 -2.472 -1.389) 5.588 11.204 ( 4.741 0.334 -0.268) 4.760 11.585 ( 0.797 -0.847 3.248) 3.450 11.639 ( 5.597 -1.648 -12.856) 14.118 11.922 ( 4.660 -1.210 -6.522) 8.107 13.754 ( 15.163 -2.952 -0.912) 15.474 13.891 ( 4.038 -3.517 -16.206) 17.067 14.915 ( -8.204 30.134 -4.921) 31.616 15.276 ( 12.092 23.382 -5.430) 26.878 16.006 ( -8.079 -4.358 3.193) 9.719 16.494 ( -8.844 -16.746 11.329) 22.067 16.975 ( -8.737 -25.240 3.621) 26.954 17.315 ( 2.465 -6.278 29.593) 30.352 18.820 ( -16.876 -2.157 -17.604) 24.481 19.434 ( 11.736 11.361 4.417) 16.921 21.282 ( -0.963 -0.610 -0.237) 1.164 21.736 ( -0.675 -0.314 1.369) 1.558 ======================= Grid point 68 (32/60) ======================= q-point: (-0.29 0.29 0.14) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.667 ( -21.626 -7.410 7.285) 23.993 1.896 ( -24.171 -13.245 0.020) 27.562 2.584 ( 7.860 -4.131 3.171) 9.428 2.706 ( 7.825 1.578 5.958) 9.961 2.995 ( -19.632 -1.151 -2.409) 19.812 3.270 ( -19.208 -2.352 -0.225) 19.353 3.927 ( 9.059 3.414 -6.501) 11.661 4.510 ( 13.512 1.396 -2.033) 13.735 4.840 ( -6.469 6.403 11.997) 15.059 5.068 ( -4.573 -4.582 2.973) 7.123 5.257 ( 7.936 11.096 -14.359) 19.806 5.426 ( 4.778 -3.324 1.135) 5.930 5.655 ( 0.824 2.523 0.245) 2.665 5.908 ( 4.739 -5.607 -7.390) 10.417 6.046 ( 8.486 -2.735 0.231) 8.918 6.278 ( -1.855 4.193 3.127) 5.550 6.358 ( -1.651 -1.102 -2.957) 3.562 6.499 ( 1.046 3.121 10.712) 11.206 6.780 ( 1.782 -0.781 4.152) 4.585 6.890 ( 3.305 -1.349 -0.962) 3.697 6.928 ( 0.082 -8.386 -0.277) 8.391 7.342 ( -2.786 -2.183 -1.947) 4.040 7.537 ( -5.989 2.198 -2.795) 6.965 7.623 ( 1.300 2.848 -0.239) 3.139 7.760 ( -2.451 -5.553 -9.526) 11.296 7.841 ( 4.635 1.048 3.286) 5.778 7.971 ( -6.665 4.163 4.136) 8.880 8.085 ( 6.007 2.860 -2.897) 7.257 8.234 ( 4.479 0.341 4.041) 6.042 8.473 ( 1.315 1.034 -1.395) 2.179 8.518 ( -0.648 3.170 -2.424) 4.043 8.748 ( -0.282 -2.955 2.063) 3.615 8.866 ( 1.655 -2.445 1.429) 3.280 8.968 ( 4.642 -0.865 -1.806) 5.055 9.028 ( -3.729 0.630 2.578) 4.577 9.199 ( -1.067 4.179 1.211) 4.480 9.710 ( -0.988 0.412 -1.052) 1.501 9.807 ( -3.966 0.840 -1.360) 4.276 10.048 ( 6.229 -3.577 -0.107) 7.184 10.124 ( 2.046 3.779 -1.702) 4.622 10.384 ( -2.281 0.527 -0.979) 2.537 10.818 ( -3.311 -1.645 1.276) 3.911 11.029 ( 0.564 -2.758 -2.625) 3.849 11.075 ( 2.162 4.854 4.113) 6.720 11.280 ( 3.652 0.411 -0.866) 3.776 11.547 ( 6.060 -4.261 -9.315) 11.902 11.684 ( 3.257 0.982 5.631) 6.579 11.957 ( 5.174 8.581 -4.183) 10.858 13.752 ( 3.902 -0.171 -11.989) 12.609 14.049 ( 23.041 4.883 -0.105) 23.553 14.995 ( -12.024 24.530 3.374) 27.526 15.607 ( 13.697 17.010 -0.641) 21.849 15.828 ( -5.042 -3.042 -8.198) 10.094 16.259 ( -11.881 -22.177 5.061) 25.663 16.698 ( -6.923 -19.643 0.842) 20.845 17.683 ( 2.853 -13.178 31.752) 34.496 18.266 ( -25.408 0.057 -16.342) 30.210 19.708 ( 10.343 10.015 -2.028) 14.539 21.264 ( -1.084 -0.414 0.546) 1.283 21.727 ( -1.472 -0.768 0.452) 1.721 ======================= Grid point 69 (33/60) ======================= q-point: (-0.14 0.29 0.14) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( -21.276 -7.490 11.981) 25.541 1.469 ( -24.232 -7.747 10.738) 27.614 2.604 ( -7.204 -5.656 -2.478) 9.489 2.696 ( 1.088 -6.449 1.276) 6.663 2.833 ( -15.442 -2.274 9.371) 18.206 3.083 ( -3.950 6.286 4.680) 8.776 4.041 ( 8.016 6.271 -3.526) 10.771 4.696 ( 11.179 0.670 -0.373) 11.206 4.918 ( -9.785 -0.948 14.872) 17.827 5.066 ( -0.137 2.455 5.057) 5.623 5.268 ( 7.930 9.651 -16.198) 20.455 5.510 ( 6.901 4.484 -5.395) 9.841 5.599 ( 1.866 -9.562 -2.239) 9.997 5.864 ( 3.096 -0.936 -6.586) 7.338 6.174 ( 8.746 -4.824 2.131) 10.213 6.287 ( 2.324 -4.227 -4.947) 6.909 6.310 ( 2.027 5.415 -5.047) 7.675 6.684 ( -2.918 2.370 11.392) 11.996 6.828 ( 0.530 2.746 -3.191) 4.243 6.905 ( 3.971 1.893 4.282) 6.139 6.990 ( 9.883 -5.881 2.152) 11.700 7.170 ( -8.067 -1.447 -5.581) 9.916 7.423 ( -6.636 3.114 -5.693) 9.281 7.501 ( -4.559 -4.952 -10.900) 12.811 7.644 ( 0.066 -2.313 2.478) 3.390 7.920 ( -8.404 3.877 0.617) 9.276 7.936 ( 3.294 -2.385 1.792) 4.444 8.161 ( 5.542 -0.601 -1.456) 5.762 8.358 ( 3.420 -1.465 -1.577) 4.041 8.448 ( 1.684 -1.298 0.969) 2.336 8.571 ( 0.136 11.895 -0.893) 11.930 8.743 ( -1.901 -0.214 3.805) 4.258 8.877 ( -0.527 -3.553 2.776) 4.540 9.009 ( 6.645 -3.931 -1.509) 7.867 9.034 ( -1.194 1.395 1.969) 2.693 9.206 ( -2.623 2.203 0.032) 3.426 9.735 ( -1.671 -1.165 1.448) 2.499 9.745 ( -2.101 4.425 0.026) 4.899 10.060 ( 2.269 -2.561 0.013) 3.422 10.170 ( 2.646 2.403 -3.871) 5.268 10.349 ( -3.063 -1.009 1.917) 3.752 10.769 ( -2.775 -2.347 3.671) 5.166 10.929 ( -3.080 -3.116 -2.667) 5.129 11.228 ( 4.031 1.215 -0.137) 4.212 11.294 ( 0.911 4.111 -2.882) 5.103 11.523 ( 8.325 -5.034 -3.320) 10.280 11.829 ( 4.267 2.357 4.939) 6.940 12.099 ( 3.769 13.150 -1.136) 13.726 13.710 ( 5.753 4.348 -8.367) 11.046 14.483 ( 24.809 11.759 -1.277) 27.485 15.026 ( -16.973 3.403 13.482) 21.941 15.674 ( 4.088 7.520 -15.216) 17.459 15.868 ( 2.426 -6.459 5.869) 9.058 16.010 ( -2.583 -8.278 -5.349) 10.188 16.437 ( -4.062 -9.440 1.428) 10.376 17.548 ( -18.892 -19.841 -12.722) 30.207 18.074 ( -11.080 3.726 28.846) 31.125 19.857 ( 8.173 7.099 -8.565) 13.804 21.259 ( -0.877 -0.129 1.590) 1.820 21.695 ( -1.798 -0.831 -0.051) 1.981 ======================= Grid point 72 (34/60) ======================= q-point: ( 0.29 0.43 0.14) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.967 ( -2.286 1.835 17.244) 17.492 2.244 ( -4.670 2.888 14.716) 15.707 2.395 ( 11.623 -0.276 5.438) 12.835 2.681 ( 5.753 -13.468 -0.735) 14.664 3.224 ( 1.330 9.186 6.936) 11.587 3.494 ( 0.961 7.010 0.759) 7.116 4.227 ( -5.391 -11.555 -0.419) 12.758 4.439 ( -3.671 -19.240 -14.765) 24.529 4.747 ( 14.395 6.628 -23.133) 28.041 5.080 ( -3.216 14.235 -0.199) 14.595 5.157 ( -1.662 -8.337 3.376) 9.147 5.449 ( -1.053 0.334 2.564) 2.792 5.519 ( -4.715 8.677 -1.443) 9.980 5.717 ( -5.192 -2.069 5.770) 8.033 5.986 ( -0.556 4.497 3.246) 5.574 6.245 ( 10.379 0.532 0.984) 10.439 6.384 ( 6.405 -5.783 7.056) 11.147 6.649 ( -4.342 -6.608 -3.986) 8.855 6.762 ( -3.018 -1.039 0.941) 3.328 6.868 ( -1.848 -3.586 -0.958) 4.146 6.926 ( 2.897 5.593 2.793) 6.890 7.198 ( -0.265 -2.457 2.805) 3.738 7.543 ( 1.865 -0.744 -0.035) 2.008 7.570 ( -6.202 7.723 6.799) 12.014 7.784 ( -1.725 2.206 4.231) 5.074 7.817 ( 7.289 2.348 -0.670) 7.687 7.957 ( -2.955 -0.065 -6.119) 6.795 8.103 ( -2.273 -6.429 2.941) 7.426 8.253 ( 10.096 -3.732 -0.527) 10.777 8.456 ( -0.224 1.045 -5.893) 5.989 8.548 ( -7.382 -4.944 -1.272) 8.975 8.763 ( -2.036 -1.004 -3.462) 4.140 8.833 ( -0.101 -2.781 -3.638) 4.580 8.951 ( 5.219 3.890 0.588) 6.536 9.030 ( -4.011 1.968 -0.666) 4.517 9.162 ( -0.547 4.846 -0.087) 4.878 9.726 ( -3.447 3.443 0.782) 4.934 9.828 ( -1.765 3.217 2.814) 4.624 9.926 ( 4.187 -1.941 -2.437) 5.219 10.007 ( -4.039 0.153 -1.741) 4.401 10.394 ( -3.210 8.099 0.076) 8.713 10.837 ( -0.126 -1.040 -1.488) 1.820 10.968 ( 4.687 -1.599 -0.132) 4.954 11.077 ( -3.496 1.490 -0.504) 3.834 11.293 ( 4.516 -3.641 0.248) 5.806 11.566 ( -0.272 -3.462 -5.666) 6.645 11.699 ( -3.678 -1.760 -8.487) 9.415 12.061 ( -2.900 -3.475 -7.382) 8.660 13.791 ( -11.804 -8.140 -4.663) 15.078 14.110 ( -3.270 -1.811 -12.285) 12.841 14.661 ( 7.569 18.082 -12.076) 23.024 14.965 ( -2.903 23.377 -12.857) 26.837 16.050 ( 2.028 1.459 12.544) 12.791 16.693 ( 6.994 -2.370 20.015) 21.334 16.883 ( -8.959 -3.836 21.510) 23.615 17.324 ( 13.114 -30.896 7.443) 34.379 19.033 ( -1.605 10.616 0.197) 10.739 19.249 ( -0.100 1.822 -8.244) 8.444 21.302 ( 0.658 -0.877 -0.259) 1.127 21.721 ( 0.078 0.235 1.910) 1.926 ======================= Grid point 73 (35/60) ======================= q-point: ( 0.43 0.43 0.14) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.177 ( 3.150 -3.183 12.215) 13.010 2.315 ( -3.797 -1.038 8.871) 9.705 2.544 ( -6.309 -3.901 6.029) 9.559 2.610 ( 2.900 -6.912 0.632) 7.523 3.437 ( 2.285 12.220 1.199) 12.489 3.584 ( 4.039 8.819 -2.838) 10.106 3.995 ( -7.843 -15.925 -7.970) 19.459 4.090 ( 0.479 -9.643 -5.411) 11.068 4.693 ( 9.237 6.001 -17.382) 20.578 5.126 ( -1.416 -3.263 4.175) 5.485 5.160 ( 2.171 9.217 -4.584) 10.521 5.418 ( -2.367 5.885 -1.224) 6.460 5.548 ( -3.546 -0.610 5.641) 6.691 5.748 ( -1.713 -6.000 10.287) 12.031 6.112 ( 2.899 6.014 4.917) 8.292 6.380 ( -5.484 -5.973 -6.451) 10.362 6.408 ( 5.776 -1.419 4.469) 7.440 6.599 ( 2.165 -3.976 9.518) 10.540 6.690 ( -2.894 -3.452 -1.659) 4.800 6.859 ( 3.957 -0.335 0.719) 4.035 7.029 ( -1.263 2.789 2.734) 4.105 7.135 ( -3.296 -5.445 0.548) 6.389 7.552 ( -7.415 4.657 2.858) 9.211 7.633 ( 3.858 4.623 -0.168) 6.024 7.843 ( 0.825 4.887 -0.617) 4.994 7.850 ( 1.687 -8.933 -0.811) 9.127 7.875 ( 1.189 2.484 -4.244) 5.060 8.025 ( -2.028 -2.354 -1.541) 3.469 8.349 ( 9.768 -4.876 -5.624) 12.281 8.396 ( -7.707 -2.458 3.591) 8.851 8.475 ( 4.051 2.532 3.116) 5.704 8.648 ( -3.477 -4.588 -5.333) 7.847 8.795 ( 0.951 0.286 -1.643) 1.919 8.957 ( -4.570 1.672 0.168) 4.869 9.069 ( 2.925 3.145 1.421) 4.524 9.189 ( -1.021 4.516 0.480) 4.655 9.769 ( 1.252 4.527 1.071) 4.818 9.847 ( 0.069 -0.700 0.094) 0.710 9.918 ( -0.335 -1.969 -1.919) 2.770 10.000 ( 1.528 4.762 0.567) 5.033 10.419 ( -1.938 8.245 -1.380) 8.581 10.810 ( -0.831 1.410 -1.558) 2.259 10.965 ( 0.632 -3.474 0.020) 3.531 11.093 ( 1.694 3.567 -0.729) 4.016 11.282 ( 0.159 -5.160 -1.763) 5.455 11.460 ( 1.543 -1.295 -7.380) 7.650 11.562 ( -0.075 -1.110 -5.819) 5.924 11.903 ( -2.553 -5.042 -3.259) 6.524 13.542 ( -3.042 -7.918 -2.857) 8.950 13.910 ( -3.492 0.076 -9.571) 10.188 14.841 ( 9.863 26.110 -12.998) 30.789 15.075 ( 2.497 32.347 -9.873) 33.913 16.221 ( -2.800 -2.759 14.168) 14.703 16.824 ( -10.478 -9.465 8.800) 16.638 17.057 ( -0.290 -18.623 26.466) 32.363 17.216 ( 6.129 -29.072 6.611) 30.438 19.034 ( 3.115 0.425 -12.991) 13.366 19.257 ( -1.729 16.235 0.829) 16.348 21.296 ( 0.089 -0.792 -0.288) 0.847 21.744 ( 0.024 -0.228 1.580) 1.597 ======================= Grid point 74 (36/60) ======================= q-point: (-0.43 0.43 0.14) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.188 ( -8.774 -6.707 4.967) 12.109 2.344 ( -2.336 -11.632 3.050) 12.250 2.481 ( -2.288 -3.355 4.414) 5.997 2.577 ( -3.987 0.115 2.118) 4.516 3.420 ( -10.261 6.595 -6.229) 13.696 3.663 ( -4.238 1.422 -8.421) 9.534 3.712 ( 4.974 0.136 -2.862) 5.740 4.097 ( 9.686 -4.352 1.713) 10.756 4.764 ( 8.986 9.420 -4.081) 13.643 5.123 ( -1.699 7.947 -4.383) 9.234 5.218 ( 4.038 -1.981 1.863) 4.868 5.419 ( -6.103 -2.005 5.679) 8.574 5.584 ( 0.858 3.944 4.067) 5.730 5.802 ( 4.683 -8.134 4.150) 10.262 6.079 ( -9.984 -5.823 -10.138) 15.374 6.286 ( 1.281 2.976 7.823) 8.468 6.494 ( 0.191 -2.044 4.057) 4.547 6.592 ( -8.835 -5.221 3.022) 10.698 6.625 ( 3.286 -2.501 -2.539) 4.847 6.924 ( -6.346 -9.094 2.734) 11.421 6.984 ( 2.889 0.797 0.694) 3.076 7.190 ( 6.817 5.720 3.587) 9.595 7.599 ( 3.277 4.682 1.139) 5.828 7.665 ( -2.566 2.159 -2.240) 4.032 7.704 ( -0.700 -5.824 -6.705) 8.908 7.844 ( -0.062 -2.078 -1.080) 2.343 7.957 ( 1.278 3.794 0.777) 4.078 7.989 ( 3.023 3.341 -1.670) 4.805 8.300 ( -4.460 1.413 0.488) 4.704 8.396 ( 3.653 -6.425 -2.602) 7.836 8.510 ( 2.717 -2.857 -3.240) 5.103 8.625 ( 1.874 1.914 6.395) 6.933 8.818 ( 1.405 0.550 1.260) 1.966 8.940 ( -0.947 0.843 0.379) 1.323 9.108 ( -0.950 2.543 -0.585) 2.777 9.232 ( -0.751 3.598 2.787) 4.613 9.781 ( -2.087 0.594 -2.319) 3.176 9.849 ( 1.132 -0.392 -0.083) 1.201 9.906 ( 1.448 -0.205 0.683) 1.615 10.058 ( 1.946 2.962 -1.803) 3.976 10.437 ( -1.257 5.605 -1.873) 6.042 10.803 ( 0.617 4.291 -2.624) 5.068 10.976 ( 1.161 -2.282 2.315) 3.452 11.132 ( 2.079 -0.279 -0.678) 2.204 11.208 ( -2.592 -1.053 0.283) 2.812 11.396 ( 2.801 -1.120 -7.001) 7.623 11.568 ( 5.491 3.369 -0.984) 6.517 11.841 ( 0.543 -0.198 -0.256) 0.632 13.518 ( 8.935 -2.787 -0.639) 9.382 13.778 ( -3.281 4.701 -6.006) 8.302 15.053 ( 7.366 28.335 -11.222) 31.354 15.301 ( 6.117 32.107 -9.723) 34.100 16.193 ( -15.004 -10.779 9.216) 20.646 16.650 ( -11.886 -20.211 10.035) 25.505 16.814 ( -2.142 -32.032 0.156) 32.104 17.494 ( 8.858 -14.256 26.152) 31.074 18.833 ( -11.164 4.564 -11.420) 16.609 19.416 ( 7.528 11.416 -3.908) 14.222 21.287 ( -0.396 -0.438 0.133) 0.605 21.753 ( -0.321 -0.866 0.843) 1.251 ======================= Grid point 75 (37/60) ======================= q-point: (-0.29 0.43 0.14) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.016 ( -17.002 -4.469 8.359) 19.466 2.139 ( -15.538 -8.916 2.941) 18.154 2.416 ( 2.810 -11.163 -1.337) 11.589 2.599 ( 5.543 -3.247 -6.043) 8.819 3.193 ( -12.268 4.049 -3.623) 13.417 3.513 ( -7.421 0.062 0.070) 7.422 3.846 ( 5.506 9.366 0.029) 10.864 4.284 ( 13.768 -0.716 1.776) 13.900 4.939 ( 8.476 6.344 -4.157) 11.374 5.147 ( -0.259 14.654 -2.343) 14.842 5.250 ( -4.115 0.255 2.559) 4.852 5.374 ( -3.620 -8.444 9.555) 13.255 5.703 ( -2.554 -9.620 -12.350) 15.862 5.740 ( -1.033 3.402 6.022) 6.993 5.873 ( 7.325 -4.211 -0.294) 8.454 6.335 ( -4.721 -4.657 -4.347) 7.929 6.432 ( -8.563 -0.549 6.588) 10.818 6.574 ( 5.182 1.392 4.814) 7.208 6.653 ( 8.726 -4.234 -2.882) 10.118 6.875 ( -0.683 -4.123 4.835) 6.391 6.949 ( -4.817 1.844 -1.736) 5.442 7.349 ( 1.206 1.618 -0.601) 2.106 7.512 ( -1.948 -8.056 -1.893) 8.502 7.587 ( -1.987 0.937 -8.348) 8.632 7.694 ( -1.447 -1.167 -0.499) 1.925 7.828 ( 2.230 4.303 -1.041) 4.957 7.983 ( 3.123 1.725 -1.314) 3.802 8.147 ( 5.797 5.152 4.197) 8.819 8.269 ( -5.842 2.204 3.771) 7.294 8.319 ( 4.148 -3.589 -6.788) 8.727 8.581 ( 4.345 1.408 0.714) 4.623 8.704 ( 1.671 -0.555 3.136) 3.597 8.865 ( 1.030 -0.327 2.803) 3.004 8.922 ( -1.973 -0.956 0.053) 2.193 9.095 ( -1.711 1.714 -1.395) 2.795 9.281 ( -1.102 1.607 2.761) 3.379 9.744 ( -1.999 1.995 0.812) 2.939 9.837 ( -0.742 0.925 -0.883) 1.479 9.962 ( 3.246 -2.132 2.290) 4.509 10.076 ( 3.213 1.874 -3.079) 4.829 10.431 ( -2.315 3.856 -0.879) 4.583 10.815 ( 0.301 0.471 -1.449) 1.553 10.990 ( 0.532 -2.515 -0.053) 2.572 11.127 ( -0.275 1.271 1.354) 1.877 11.215 ( 3.006 -1.254 -1.575) 3.618 11.362 ( 1.315 2.590 -3.843) 4.817 11.714 ( 5.123 2.722 4.954) 7.629 11.926 ( 6.116 10.248 -0.994) 11.976 13.655 ( 2.946 4.552 -2.055) 5.798 13.830 ( 13.027 8.668 1.595) 15.728 15.273 ( 4.830 27.702 -5.838) 28.719 15.538 ( 10.210 27.519 -15.638) 33.258 15.875 ( -19.317 -20.884 8.050) 29.565 16.323 ( -12.340 -28.193 7.058) 31.574 16.611 ( -4.059 -18.807 2.423) 19.392 17.715 ( 4.810 -24.350 11.884) 27.519 18.574 ( -19.100 12.598 1.559) 22.933 19.549 ( 11.488 5.494 -9.846) 16.097 21.282 ( -0.541 -0.133 0.627) 0.839 21.740 ( -0.947 -1.295 0.037) 1.605 ======================= Grid point 76 (38/60) ======================= q-point: (-0.14 0.43 0.14) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.830 ( -19.143 -2.547 10.384) 21.927 1.910 ( -18.386 -2.029 11.819) 21.951 2.351 ( 6.583 -13.845 -5.915) 16.432 2.488 ( 6.187 -7.628 -11.033) 14.771 3.147 ( 0.249 5.277 2.646) 5.909 3.400 ( -15.567 -0.676 8.866) 17.928 4.009 ( 3.638 11.739 -0.058) 12.290 4.521 ( 14.325 0.143 2.410) 14.527 4.994 ( 6.274 4.698 -10.436) 13.051 5.158 ( -5.312 1.970 -1.251) 5.802 5.316 ( -8.975 6.038 11.694) 15.929 5.401 ( -0.015 -8.740 -6.226) 10.731 5.423 ( 5.198 -1.520 0.895) 5.490 5.817 ( -0.036 3.187 -3.321) 4.603 5.987 ( 9.116 -6.542 4.578) 12.119 6.163 ( -1.831 -4.808 -3.874) 6.440 6.369 ( -7.612 4.682 -1.707) 9.098 6.703 ( 9.504 -5.204 -2.828) 11.198 6.756 ( 5.404 0.527 -0.435) 5.447 6.888 ( 2.910 -3.774 3.808) 6.100 6.939 ( 0.343 4.673 3.050) 5.591 7.245 ( -6.808 1.727 -4.653) 8.425 7.394 ( -4.642 -8.526 -1.815) 9.875 7.446 ( -4.374 0.400 -3.956) 5.911 7.667 ( -1.223 -1.566 1.967) 2.796 7.896 ( 2.869 2.687 -0.284) 3.941 8.033 ( 2.313 2.935 -1.301) 3.957 8.133 ( -3.094 -5.671 -2.367) 6.880 8.258 ( -2.714 3.300 -2.714) 5.062 8.416 ( 7.183 -0.922 4.470) 8.511 8.655 ( 0.983 9.214 -0.507) 9.281 8.788 ( 4.849 -0.511 3.137) 5.798 8.875 ( 0.759 -0.848 -2.490) 2.738 8.909 ( -1.879 -0.971 3.463) 4.058 9.045 ( -1.538 -1.176 -2.320) 3.022 9.280 ( -2.866 -0.502 0.571) 2.966 9.761 ( -0.748 1.436 1.184) 2.006 9.839 ( -2.168 3.722 1.269) 4.490 10.010 ( 2.426 -2.193 1.843) 3.754 10.123 ( 3.103 3.567 -1.810) 5.063 10.420 ( -2.755 1.602 1.469) 3.510 10.785 ( -0.488 -1.975 -0.623) 2.128 10.933 ( -3.111 -3.810 0.353) 4.931 11.152 ( 1.779 -2.175 -3.000) 4.110 11.274 ( 5.809 3.505 0.649) 6.816 11.375 ( 2.351 2.666 -1.612) 3.903 11.874 ( 3.547 4.883 5.268) 8.011 12.103 ( 5.700 12.262 -4.427) 14.228 13.690 ( -1.568 11.282 -1.637) 11.508 14.244 ( 21.508 11.600 3.062) 24.628 15.358 ( -13.828 -6.293 -14.297) 20.862 15.567 ( 6.194 21.268 4.371) 22.578 15.782 ( 4.672 -7.103 5.479) 10.114 16.050 ( -13.160 -17.980 6.755) 23.283 16.414 ( -1.765 -7.427 0.287) 7.639 17.422 ( -11.096 -24.489 -10.511) 28.867 18.632 ( -10.939 11.114 21.741) 26.755 19.590 ( 11.673 -0.907 -14.505) 18.640 21.284 ( -0.290 -0.155 0.785) 0.851 21.709 ( -1.278 -1.220 -0.121) 1.771 ======================= Grid point 79 (39/60) ======================= q-point: ( 0.29 -0.43 0.14) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.018 ( 16.406 -5.184 4.298) 17.735 2.240 ( 9.162 -9.938 8.022) 15.718 2.362 ( 4.108 -3.175 5.501) 7.564 2.727 ( -6.078 4.590 10.883) 13.284 3.228 ( 7.498 4.938 -4.244) 9.930 3.400 ( 11.711 -2.860 -4.149) 12.749 4.195 ( -0.855 -8.009 -12.269) 14.676 4.295 ( -9.983 -3.622 -0.005) 10.619 4.436 ( -0.402 3.882 -9.731) 10.485 5.141 ( 0.407 -4.476 4.056) 6.053 5.250 ( -5.531 12.174 -6.180) 14.730 5.528 ( -1.569 2.275 4.826) 5.561 5.610 ( -2.610 4.771 -2.639) 6.045 5.889 ( -4.930 -1.156 8.628) 10.004 6.032 ( 0.088 -5.321 6.336) 8.274 6.134 ( 5.181 2.829 0.244) 5.908 6.291 ( 4.347 -3.634 1.650) 5.902 6.581 ( 3.527 2.145 -2.850) 5.017 6.741 ( -0.087 -10.729 -4.121) 11.494 6.817 ( -0.273 -0.403 3.529) 3.563 7.154 ( -3.766 -5.568 1.666) 6.926 7.235 ( -3.499 11.879 9.174) 15.411 7.524 ( -1.425 -1.974 -0.271) 2.449 7.708 ( 7.089 2.473 2.123) 7.803 7.746 ( -1.312 0.265 3.806) 4.035 7.852 ( 0.662 1.375 -3.410) 3.736 7.960 ( -7.111 1.083 -3.580) 8.034 8.056 ( 2.996 -1.095 -3.091) 4.441 8.244 ( -0.732 -2.134 5.394) 5.846 8.288 ( 0.409 0.327 -9.320) 9.335 8.586 ( -2.430 -0.927 -3.338) 4.231 8.767 ( -2.563 -5.375 0.681) 5.993 8.780 ( -0.616 0.177 0.353) 0.732 8.937 ( 2.714 1.747 2.287) 3.956 9.099 ( -1.816 2.809 -0.012) 3.345 9.193 ( 0.833 4.534 -1.467) 4.838 9.760 ( 1.521 -0.919 -3.044) 3.525 9.842 ( 0.730 -0.471 -0.215) 0.895 9.893 ( -3.197 0.765 2.588) 4.183 10.106 ( -5.313 3.966 -0.445) 6.645 10.479 ( -0.105 4.370 -0.688) 4.425 10.845 ( -1.647 3.179 0.048) 3.581 10.892 ( 2.940 -3.609 1.310) 4.836 11.121 ( -0.626 0.974 -2.526) 2.779 11.215 ( -1.653 -2.002 0.257) 2.609 11.546 ( -3.806 -1.895 1.021) 4.372 11.620 ( -3.186 -1.856 -8.648) 9.401 11.997 ( -3.219 0.598 -8.590) 9.193 13.900 ( -17.185 -3.087 -4.840) 18.118 14.031 ( -4.458 -0.546 -8.731) 9.818 14.565 ( 7.774 16.800 -7.265) 19.886 15.103 ( -8.153 20.398 -8.188) 23.443 16.144 ( 6.475 3.623 8.191) 11.052 16.749 ( 14.425 -3.599 9.675) 17.738 16.923 ( 8.142 -25.980 11.457) 29.538 17.282 ( -7.276 -11.410 20.879) 24.881 18.737 ( 16.285 -3.682 -9.139) 19.034 19.457 ( -10.727 11.338 -4.216) 16.168 21.280 ( 0.903 -0.666 -0.081) 1.125 21.736 ( 0.652 -0.323 1.234) 1.432 ======================= Grid point 80 (40/60) ======================= q-point: ( 0.43 -0.43 0.14) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.196 ( 3.769 -4.898 5.060) 7.988 2.383 ( 5.372 -9.531 8.683) 13.968 2.454 ( 6.539 -5.248 0.988) 8.443 2.668 ( -4.196 -5.526 -0.283) 6.944 3.431 ( 5.578 3.568 -10.033) 12.021 3.457 ( 10.023 11.170 -1.519) 15.085 3.888 ( -8.309 -9.873 -6.497) 14.448 4.184 ( -12.015 -1.019 7.488) 14.194 4.447 ( 10.160 11.877 -8.757) 17.915 5.155 ( -0.656 2.582 -0.704) 2.755 5.202 ( -2.498 2.400 0.153) 3.467 5.485 ( -2.479 6.184 -3.757) 7.649 5.623 ( -2.074 -5.816 5.776) 8.455 5.925 ( -7.506 -5.416 10.660) 14.117 6.104 ( 5.139 -0.322 -0.620) 5.186 6.251 ( 1.848 -6.697 -2.252) 7.303 6.352 ( 9.644 4.868 7.129) 12.943 6.581 ( 0.900 -8.144 -6.966) 10.754 6.681 ( 4.390 0.391 5.143) 6.773 6.805 ( -0.733 -3.619 -0.391) 3.713 7.117 ( 0.703 -4.240 -0.040) 4.298 7.271 ( -12.063 2.133 6.582) 13.907 7.558 ( 1.775 3.537 -0.104) 3.958 7.704 ( -1.748 -0.167 -3.133) 3.592 7.738 ( -1.495 -3.958 1.446) 4.472 7.815 ( 0.355 4.645 -7.746) 9.039 7.931 ( 1.388 -0.794 4.393) 4.675 8.003 ( -1.586 -1.678 -4.182) 4.777 8.210 ( -0.261 5.473 -3.916) 6.735 8.286 ( 5.699 -3.848 -3.139) 7.559 8.577 ( 0.572 2.923 5.319) 6.096 8.688 ( -7.441 -3.823 0.478) 8.380 8.792 ( 0.294 0.682 2.815) 2.911 9.004 ( -0.771 -4.379 1.479) 4.686 9.065 ( 0.566 5.795 -2.774) 6.450 9.243 ( 0.590 3.162 1.933) 3.753 9.778 ( 2.434 1.138 -0.288) 2.702 9.825 ( -0.712 -0.042 -1.180) 1.379 9.916 ( -0.889 1.210 2.075) 2.561 10.065 ( -3.098 3.456 -0.965) 4.740 10.487 ( -1.625 5.374 -2.578) 6.178 10.830 ( -2.028 2.838 -3.128) 4.685 10.913 ( 2.737 -1.812 2.349) 4.036 11.109 ( -0.844 2.759 -1.144) 3.104 11.176 ( 1.428 -3.623 -1.188) 4.072 11.458 ( -0.935 0.281 -4.446) 4.552 11.509 ( -5.514 2.029 -0.226) 5.880 11.881 ( -2.320 -1.301 -2.247) 3.482 13.574 ( -12.330 -4.772 -1.826) 13.346 13.900 ( -3.873 3.610 -4.696) 7.077 14.788 ( 8.600 24.359 -6.834) 26.721 15.178 ( 1.203 30.871 -10.917) 32.767 16.355 ( 4.588 -1.052 9.016) 10.171 16.825 ( 6.796 -38.998 5.018) 39.902 16.913 ( -4.951 -8.804 -0.759) 10.129 17.301 ( -0.206 -21.474 26.571) 34.164 18.895 ( 6.709 8.672 -0.871) 10.999 19.336 ( -2.621 8.936 -11.629) 14.898 21.287 ( 0.386 -0.342 0.257) 0.576 21.752 ( 0.414 -0.891 0.767) 1.246 ======================= Grid point 81 (41/60) ======================= q-point: (-0.43 -0.43 0.14) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.174 ( 0.236 -11.573 -0.758) 11.600 2.390 ( -4.236 -10.007 3.155) 11.315 2.478 ( 2.294 -4.740 1.429) 5.456 2.578 ( -1.047 -5.889 -2.117) 6.345 3.403 ( 7.640 5.009 -13.386) 16.206 3.565 ( -1.141 3.578 -6.682) 7.665 3.706 ( -3.944 -0.200 1.969) 4.413 4.138 ( -6.630 5.469 7.691) 11.533 4.661 ( 10.240 11.785 -2.596) 15.826 5.131 ( -0.003 9.396 -7.097) 11.775 5.253 ( -0.213 -3.203 8.079) 8.693 5.492 ( 2.740 -1.283 1.380) 3.326 5.647 ( 0.991 -0.005 3.591) 3.725 5.820 ( -10.209 -12.614 8.187) 18.176 6.046 ( -6.648 -0.809 -6.651) 9.438 6.261 ( 10.226 -3.934 -0.087) 10.957 6.419 ( -0.624 -6.632 -6.309) 9.175 6.563 ( 0.234 1.462 2.888) 3.246 6.786 ( -2.240 0.930 8.233) 8.582 6.884 ( 7.553 -0.716 2.587) 8.016 7.006 ( -5.651 -3.942 -0.951) 6.955 7.211 ( -0.281 -4.229 1.901) 4.645 7.548 ( 1.027 -0.114 -3.549) 3.697 7.653 ( -4.489 -1.238 -3.459) 5.801 7.701 ( -0.037 3.074 -1.814) 3.569 7.825 ( 1.528 1.741 2.676) 3.539 7.920 ( -0.261 0.194 -3.748) 3.762 8.017 ( 2.057 3.730 1.931) 4.677 8.231 ( 0.438 2.622 -2.446) 3.612 8.315 ( 7.181 -1.810 -0.787) 7.447 8.512 ( -8.954 -1.650 -1.024) 9.162 8.728 ( 2.198 2.823 7.544) 8.349 8.844 ( -0.352 0.058 3.206) 3.226 8.959 ( -0.885 -0.492 -0.114) 1.019 9.098 ( 1.870 1.836 -2.366) 3.531 9.288 ( -0.289 -0.084 2.181) 2.202 9.796 ( -1.052 1.447 -0.816) 1.966 9.813 ( 1.706 -0.370 -1.106) 2.067 9.934 ( -1.300 0.891 2.813) 3.225 10.031 ( -0.777 0.937 -3.120) 3.349 10.471 ( -0.877 4.828 -3.243) 5.882 10.815 ( 0.618 4.004 -1.224) 4.232 10.963 ( -0.413 -2.434 2.193) 3.303 11.113 ( 0.997 4.027 -1.299) 4.347 11.173 ( 1.561 -3.029 0.104) 3.409 11.453 ( -2.136 5.890 1.364) 6.412 11.496 ( 1.781 6.076 0.340) 6.341 11.848 ( -0.089 0.260 0.713) 0.764 13.452 ( -0.411 -0.257 1.754) 1.819 13.858 ( -4.474 8.993 -0.751) 10.072 15.042 ( 7.646 24.306 -5.795) 26.130 15.328 ( 4.171 31.186 -16.196) 35.387 16.386 ( -5.837 -9.623 -2.193) 11.466 16.570 ( -6.543 -37.679 8.515) 39.179 16.686 ( -1.085 -19.385 5.219) 20.104 17.502 ( 6.327 -20.184 19.986) 29.101 18.999 ( -7.227 13.409 2.472) 15.432 19.253 ( 6.651 4.273 -15.553) 17.447 21.291 ( -0.071 -0.047 0.260) 0.274 21.751 ( 0.090 -1.556 0.199) 1.571 ======================= Grid point 82 (42/60) ======================= q-point: (-0.29 -0.43 0.14) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.032 ( 3.733 -17.018 -5.164) 18.172 2.234 ( -0.200 -12.100 -5.148) 13.151 2.429 ( -10.554 -5.508 2.880) 12.248 2.483 ( -5.365 0.025 3.274) 6.285 3.280 ( -7.267 -4.740 -9.518) 12.879 3.481 ( 6.757 1.517 -8.303) 10.812 3.825 ( 6.861 8.312 4.157) 11.552 4.249 ( 0.019 8.210 5.400) 9.827 4.827 ( 5.906 8.004 -3.374) 10.504 5.170 ( 2.698 11.835 -6.137) 13.602 5.290 ( 0.728 -1.815 1.770) 2.638 5.494 ( 0.248 -8.500 -7.163) 11.118 5.644 ( -10.925 -11.191 17.250) 23.285 5.771 ( 4.135 3.353 2.072) 5.713 5.930 ( -7.174 5.800 5.142) 10.561 6.219 ( 3.639 -9.601 -7.922) 12.969 6.461 ( 5.802 2.471 -0.327) 6.315 6.545 ( -0.756 -4.872 1.855) 5.267 6.730 ( -12.569 1.246 5.141) 13.636 6.900 ( -1.388 0.129 -0.583) 1.512 6.992 ( -0.903 1.532 -1.837) 2.557 7.288 ( 7.455 -7.315 5.003) 11.581 7.447 ( -2.081 -6.782 -2.946) 7.682 7.597 ( -1.898 1.057 -1.290) 2.526 7.697 ( -1.056 3.602 -1.178) 3.934 7.814 ( -1.015 1.054 -2.740) 3.106 7.956 ( 1.233 -2.181 3.169) 4.040 8.108 ( 2.672 4.599 -2.404) 5.837 8.203 ( 2.777 1.896 -0.622) 3.420 8.423 ( -1.273 3.093 0.435) 3.373 8.453 ( 6.426 2.453 0.102) 6.879 8.804 ( -4.276 -0.010 4.622) 6.296 8.860 ( 0.888 -0.915 0.134) 1.282 8.977 ( -0.410 1.531 3.066) 3.451 9.083 ( -0.592 0.225 -3.671) 3.725 9.293 ( 1.172 -2.226 -0.081) 2.517 9.785 ( -0.116 1.061 -1.876) 2.158 9.828 ( 1.952 0.638 0.356) 2.084 9.971 ( -0.252 -0.327 3.614) 3.638 10.016 ( 1.738 1.379 0.220) 2.229 10.467 ( -0.041 2.997 -1.911) 3.555 10.845 ( -3.226 1.784 0.959) 3.809 10.936 ( 2.388 -2.384 -1.337) 3.630 11.136 ( -0.546 3.216 -1.901) 3.776 11.171 ( 0.580 -2.607 1.982) 3.325 11.466 ( -7.058 9.185 2.025) 11.759 11.692 ( 9.577 5.602 4.010) 11.798 11.914 ( 4.582 7.536 -0.928) 8.868 13.609 ( 10.868 4.974 6.309) 13.515 13.906 ( -3.843 14.158 3.009) 14.976 15.296 ( 8.621 22.180 -4.171) 24.159 15.366 ( 3.738 18.819 -24.687) 31.266 16.105 ( -12.494 -13.668 3.996) 18.944 16.275 ( -4.489 -27.897 7.245) 29.170 16.611 ( -5.889 -17.565 8.834) 20.524 17.548 ( 0.890 -24.164 5.947) 24.901 19.010 ( -11.371 12.406 6.286) 17.965 19.206 ( 10.617 0.898 -15.911) 19.149 21.289 ( -0.127 -0.152 -0.131) 0.238 21.733 ( -0.303 -1.900 -0.251) 1.940 ======================= Grid point 83 (43/60) ======================= q-point: (-0.14 -0.43 0.14) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.877 ( 5.843 -18.489 -7.062) 20.636 2.082 ( 9.568 -14.166 -10.471) 20.047 2.276 ( -15.803 -0.299 10.897) 19.198 2.405 ( -12.785 1.740 4.744) 13.747 3.059 ( 6.011 -10.979 -8.508) 15.135 3.507 ( 4.281 -1.118 -3.236) 5.482 4.063 ( 5.865 12.512 1.452) 13.895 4.387 ( 5.339 5.121 1.602) 7.569 4.890 ( 0.065 9.314 -7.168) 11.753 5.166 ( 2.277 -10.189 -6.219) 12.152 5.234 ( -3.238 0.681 -2.170) 3.957 5.456 ( 1.810 4.730 6.975) 8.620 5.634 ( -5.732 -1.114 9.575) 11.215 5.814 ( -5.602 4.783 -2.667) 7.834 6.014 ( -1.769 -0.459 11.982) 12.121 6.163 ( -2.272 -1.046 1.197) 2.773 6.419 ( 7.355 -7.320 -1.116) 10.436 6.584 ( -8.437 5.344 -4.586) 10.989 6.693 ( 3.092 4.966 -1.553) 6.052 6.833 ( -0.068 -0.990 -3.677) 3.809 6.975 ( -0.143 0.746 -0.229) 0.793 7.303 ( -2.441 -2.846 3.650) 5.233 7.374 ( -1.420 -12.538 6.117) 14.023 7.540 ( -6.377 1.924 1.351) 6.796 7.707 ( -1.146 0.273 1.643) 2.022 7.825 ( 6.515 -0.205 -4.127) 7.715 7.960 ( 1.522 -3.057 -0.385) 3.437 8.080 ( -1.277 4.739 -3.154) 5.834 8.354 ( 5.813 0.372 2.735) 6.435 8.395 ( -6.065 5.753 -1.084) 8.429 8.605 ( 8.987 1.509 -0.015) 9.113 8.790 ( -1.782 2.303 0.168) 2.917 8.845 ( 0.661 -0.183 -1.394) 1.553 8.996 ( -4.087 0.213 -2.190) 4.642 9.035 ( -0.279 0.208 3.541) 3.558 9.272 ( 0.034 -3.067 -2.287) 3.826 9.768 ( 1.123 0.349 -2.291) 2.575 9.889 ( 2.590 1.734 1.670) 3.536 10.009 ( -0.216 0.085 2.349) 2.360 10.092 ( 2.632 1.976 2.068) 3.887 10.464 ( -0.446 -0.254 -0.274) 0.582 10.769 ( -2.062 -2.373 -2.685) 4.134 10.954 ( -1.244 -1.858 2.641) 3.461 11.115 ( -1.160 1.083 -1.319) 2.063 11.232 ( 4.479 1.396 3.572) 5.896 11.440 ( -6.471 7.209 -1.731) 9.841 11.915 ( 6.065 5.525 4.880) 9.546 12.039 ( 5.641 10.166 -6.850) 13.494 13.867 ( -1.835 12.495 5.395) 13.733 14.147 ( 12.247 15.068 6.592) 20.506 15.128 ( -0.809 -1.494 -24.154) 24.213 15.614 ( 13.596 14.714 2.353) 20.171 15.911 ( -10.825 -9.611 6.624) 15.920 16.200 ( -3.259 -13.695 14.989) 20.563 16.417 ( -9.036 -8.552 2.377) 12.666 17.233 ( -10.105 -23.679 -9.587) 27.472 19.031 ( 5.122 -4.839 -5.116) 8.708 19.228 ( 1.112 9.238 2.210) 9.564 21.282 ( 0.218 -0.536 -0.556) 0.802 21.708 ( -0.447 -1.676 -0.107) 1.738 ======================= Grid point 86 (44/60) ======================= q-point: ( 0.29 -0.29 0.14) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.752 ( 22.629 -2.856 8.830) 24.458 1.913 ( 22.744 -12.300 4.860) 26.310 2.494 ( -8.079 -2.251 3.444) 9.067 2.857 ( -2.066 -7.630 -7.749) 11.070 3.014 ( 21.956 -8.788 0.655) 23.658 3.143 ( 10.868 10.270 6.456) 16.287 4.056 ( -2.241 4.972 -8.868) 10.411 4.383 ( -11.018 -2.670 -2.317) 11.572 4.600 ( -11.499 3.127 6.902) 13.771 5.104 ( 6.600 -3.854 3.345) 8.343 5.312 ( -5.838 8.558 -11.790) 15.694 5.598 ( 3.824 1.809 3.534) 5.512 5.648 ( -5.294 4.396 -4.457) 8.198 5.970 ( -5.453 -8.094 1.992) 9.960 6.126 ( -4.401 5.631 1.361) 7.275 6.137 ( 0.718 2.392 1.336) 2.832 6.339 ( -4.960 -3.395 9.382) 11.142 6.520 ( 4.733 4.784 -4.048) 7.853 6.623 ( -2.531 -7.928 -1.414) 8.441 6.850 ( -0.567 -2.102 2.100) 3.025 7.099 ( -1.902 -7.815 -2.306) 8.368 7.454 ( 2.843 8.842 3.608) 9.964 7.505 ( 2.724 -3.997 -2.608) 5.496 7.657 ( 7.665 3.360 3.097) 8.924 7.724 ( 1.379 -3.078 -3.468) 4.838 7.809 ( 2.219 -3.402 -5.299) 6.676 7.938 ( -3.672 2.338 -0.514) 4.384 8.037 ( -6.687 -1.929 -2.337) 7.342 8.253 ( -4.393 2.453 2.403) 5.576 8.383 ( -5.234 4.794 -2.634) 7.571 8.547 ( 0.947 2.300 -3.687) 4.448 8.781 ( 0.868 -1.224 2.793) 3.170 8.804 ( -0.314 -5.133 4.752) 7.002 8.953 ( 0.037 0.689 1.716) 1.849 9.127 ( -0.936 -0.222 0.168) 0.977 9.187 ( 2.138 3.764 -0.747) 4.393 9.700 ( 1.725 0.265 -0.294) 1.770 9.819 ( 2.319 2.470 0.295) 3.401 10.013 ( -5.721 -0.614 2.035) 6.103 10.168 ( -2.420 2.267 -2.998) 4.470 10.454 ( 4.038 1.851 -0.690) 4.495 10.797 ( 4.458 -4.003 0.880) 6.056 10.992 ( -6.485 2.207 4.390) 8.136 11.064 ( 0.642 0.831 -4.700) 4.815 11.293 ( -3.300 -0.268 0.843) 3.416 11.527 ( -6.703 -3.699 -6.339) 9.940 11.708 ( -5.873 4.330 6.433) 9.727 11.949 ( -1.864 4.345 -8.289) 9.542 13.984 ( -2.853 6.463 -10.350) 12.531 14.129 ( -20.628 3.532 -6.214) 21.832 14.584 ( 3.541 8.232 8.487) 12.342 15.352 ( -13.872 16.179 -4.258) 21.733 16.137 ( 7.997 7.720 0.874) 11.150 16.400 ( 16.932 -20.371 2.588) 26.615 16.864 ( 8.693 -4.219 3.660) 10.333 17.394 ( -2.152 -29.965 10.534) 31.835 18.452 ( 21.932 8.822 9.851) 25.610 19.574 ( -12.096 3.087 -12.746) 17.841 21.264 ( 1.083 -0.333 0.634) 1.299 21.725 ( 1.417 -0.867 0.345) 1.697 ======================= Grid point 87 (45/60) ======================= q-point: ( 0.43 -0.29 0.14) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.111 ( 13.184 -4.700 5.401) 15.003 2.210 ( 15.265 -4.648 7.230) 17.519 2.376 ( -0.405 -8.576 -0.538) 8.602 2.557 ( -4.308 -14.677 -11.008) 18.846 3.209 ( 8.882 -0.022 -5.811) 10.614 3.461 ( 6.082 9.722 4.358) 12.268 3.915 ( -8.403 1.232 -3.326) 9.121 4.359 ( 6.754 11.135 -0.849) 13.051 4.539 ( -14.741 4.719 10.498) 18.702 5.180 ( -2.570 6.906 -5.531) 9.214 5.236 ( 2.981 -3.659 5.677) 7.382 5.475 ( -3.947 0.666 -8.154) 9.083 5.697 ( -3.248 -3.895 6.109) 7.940 5.889 ( 9.082 -5.414 -6.393) 12.356 6.082 ( -3.881 -0.523 -2.190) 4.487 6.208 ( 0.942 -4.497 1.709) 4.902 6.399 ( -4.129 -1.825 8.244) 9.399 6.465 ( 2.290 -2.006 1.074) 3.228 6.671 ( 5.112 5.391 1.423) 7.565 6.793 ( -2.298 -3.016 0.109) 3.794 7.039 ( 3.325 -3.887 -1.104) 5.233 7.388 ( -5.121 -7.044 -3.370) 9.338 7.542 ( -0.246 -2.320 -4.780) 5.319 7.685 ( -0.861 4.221 -2.397) 4.930 7.695 ( 3.062 -7.500 -6.712) 10.520 7.830 ( 7.973 2.646 -0.220) 8.403 7.898 ( -5.257 3.584 7.037) 9.487 7.985 ( -1.034 -0.119 0.524) 1.165 8.234 ( -4.484 0.518 2.770) 5.296 8.335 ( -3.712 10.018 -2.316) 10.931 8.597 ( 3.425 4.196 0.346) 5.427 8.761 ( -4.270 -3.921 1.110) 5.902 8.835 ( 1.051 -0.541 3.680) 3.865 8.979 ( 0.472 -3.377 1.882) 3.895 9.065 ( -1.420 1.911 -4.334) 4.945 9.274 ( 1.867 0.423 3.397) 3.899 9.750 ( 2.093 1.329 0.992) 2.670 9.849 ( -2.008 2.632 -0.463) 3.343 9.987 ( -1.857 1.491 2.194) 3.238 10.096 ( -2.649 1.058 -3.902) 4.834 10.483 ( 0.749 1.696 -2.783) 3.344 10.803 ( 0.413 -4.131 -0.422) 4.173 10.951 ( -1.433 5.081 0.110) 5.280 11.095 ( 2.687 0.248 1.132) 2.926 11.227 ( -6.538 -0.551 1.287) 6.686 11.365 ( -0.399 -0.230 -5.913) 5.930 11.738 ( -8.807 8.904 7.032) 14.363 11.890 ( -2.016 3.142 -2.828) 4.683 13.733 ( -15.285 -2.500 -4.122) 16.027 13.973 ( -4.114 12.585 -2.986) 13.573 14.865 ( 4.085 16.222 7.611) 18.378 15.340 ( -6.108 26.326 -7.101) 27.942 16.254 ( 8.476 -8.550 -5.052) 13.057 16.458 ( 11.570 -19.788 4.465) 23.353 16.780 ( 0.394 -21.569 -9.273) 23.481 17.370 ( 4.934 -22.667 20.881) 31.211 18.970 ( 10.532 13.328 14.840) 22.556 19.228 ( -7.358 1.518 -20.602) 21.929 21.284 ( 0.577 0.013 0.593) 0.827 21.736 ( 0.970 -1.329 0.101) 1.649 ======================= Grid point 88 (46/60) ======================= q-point: (-0.43 -0.29 0.14) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.017 ( -3.024 -16.856 -6.962) 18.486 2.196 ( -0.410 -17.817 -13.941) 22.626 2.458 ( 6.729 -5.655 10.361) 13.587 2.518 ( 9.556 1.891 4.538) 10.746 3.181 ( 2.929 3.654 -10.454) 11.455 3.505 ( -2.859 -4.628 -7.146) 8.981 3.830 ( -5.689 6.576 1.293) 8.791 4.487 ( -8.534 11.111 4.152) 14.613 4.636 ( 2.764 10.414 8.638) 13.810 5.133 ( -0.524 7.412 -5.455) 9.218 5.312 ( -1.905 -1.535 3.524) 4.290 5.404 ( 3.462 -5.103 -0.620) 6.198 5.656 ( 1.460 -1.743 0.507) 2.330 5.866 ( 2.787 -12.231 -6.032) 13.919 6.066 ( 2.617 8.898 -0.166) 9.277 6.153 ( -4.947 -8.480 5.873) 11.440 6.279 ( 0.346 -4.290 -2.300) 4.881 6.659 ( 0.636 1.979 6.896) 7.203 6.800 ( 7.522 2.657 2.231) 8.284 6.876 ( 3.186 7.233 2.477) 8.283 7.019 ( 0.506 -2.551 -1.834) 3.183 7.208 ( -6.472 -7.954 1.187) 10.323 7.403 ( 1.018 -7.425 -5.542) 9.321 7.576 ( 0.005 -5.950 -4.830) 7.664 7.717 ( 2.470 0.731 -1.053) 2.783 7.883 ( 1.203 3.609 -1.539) 4.103 7.974 ( -0.775 3.537 0.253) 3.630 8.060 ( -2.833 4.010 10.742) 11.811 8.196 ( 0.498 -2.192 0.102) 2.250 8.377 ( -3.842 11.377 0.058) 12.009 8.558 ( -4.928 -4.249 -2.399) 6.935 8.798 ( 3.210 6.046 3.044) 7.492 8.871 ( -0.218 -3.506 2.163) 4.125 8.953 ( 0.626 -1.056 -0.208) 1.245 9.051 ( 1.481 0.660 -1.461) 2.183 9.297 ( -0.823 -2.578 -0.059) 2.707 9.774 ( 0.626 0.095 -1.817) 1.924 9.808 ( -2.172 -0.153 -1.447) 2.614 10.005 ( -1.302 1.336 2.286) 2.950 10.045 ( -2.260 2.545 -0.007) 3.404 10.451 ( 0.313 1.107 -4.223) 4.377 10.805 ( 2.392 0.148 1.448) 2.800 10.982 ( -0.359 -1.957 -0.217) 2.001 11.148 ( 1.090 2.393 0.248) 2.641 11.172 ( -3.397 2.518 2.575) 4.951 11.386 ( 6.842 5.326 -1.120) 8.743 11.770 ( -10.519 11.539 6.066) 16.750 11.863 ( -1.129 2.526 -0.858) 2.897 13.535 ( -6.555 0.908 1.125) 6.713 14.038 ( -3.394 17.075 1.425) 17.467 15.144 ( 2.050 15.521 7.247) 17.252 15.358 ( -4.851 23.857 -15.009) 28.600 16.120 ( 6.114 -17.534 -9.134) 20.694 16.441 ( 0.460 -27.059 -5.462) 27.608 16.563 ( 6.781 -14.824 8.332) 18.307 17.523 ( 2.502 -20.635 19.910) 28.783 18.887 ( 1.792 -1.707 -26.086) 26.203 19.332 ( -1.880 14.252 13.256) 19.554 21.292 ( 0.030 0.007 -0.220) 0.222 21.732 ( 0.361 -1.903 -0.109) 1.940 ======================= Grid point 89 (47/60) ======================= q-point: (-0.29 -0.29 0.14) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.725 ( 1.434 -22.147 -8.652) 23.820 1.869 ( 4.944 -20.998 -15.379) 26.493 2.593 ( -0.736 -4.376 9.947) 10.892 2.647 ( -4.194 5.343 3.539) 7.659 3.115 ( -8.514 -18.176 -13.708) 24.306 3.185 ( 10.986 -1.015 -13.487) 17.425 3.905 ( 1.399 9.745 4.211) 10.707 4.525 ( -9.262 13.708 5.589) 17.462 4.853 ( 0.782 10.672 4.159) 11.481 5.123 ( 1.021 -2.496 -4.692) 5.412 5.223 ( 0.032 1.973 -9.696) 9.895 5.415 ( 2.476 -2.821 6.387) 7.408 5.729 ( -1.956 -4.591 -2.681) 5.665 5.845 ( 11.570 2.668 8.602) 14.662 6.096 ( -6.214 -3.449 6.386) 9.554 6.161 ( -4.121 9.383 3.996) 11.000 6.353 ( 9.483 2.344 -1.084) 9.828 6.636 ( -11.076 -3.762 2.251) 11.912 6.828 ( -1.659 3.503 -9.993) 10.719 6.911 ( 0.619 0.520 -0.606) 1.011 7.081 ( -3.087 1.283 6.437) 7.253 7.156 ( 4.894 -9.523 6.820) 12.694 7.367 ( 5.147 -6.154 0.233) 8.026 7.512 ( 2.186 -2.269 -0.679) 3.224 7.721 ( 0.808 -0.242 -3.055) 3.170 7.847 ( -5.790 -3.593 0.935) 6.879 8.043 ( 7.006 2.964 -3.234) 8.266 8.085 ( -6.436 4.852 3.789) 8.906 8.253 ( -2.806 6.388 3.455) 7.785 8.395 ( 0.009 0.983 4.059) 4.176 8.487 ( -0.513 4.082 -3.635) 5.490 8.804 ( 0.347 -3.577 -2.055) 4.140 8.936 ( -2.299 3.231 3.505) 5.293 8.971 ( 2.943 -0.969 -1.686) 3.527 9.073 ( 1.133 1.681 1.278) 2.396 9.226 ( 0.158 -3.185 -3.790) 4.953 9.735 ( -0.111 -0.633 -3.586) 3.643 9.784 ( 2.288 -1.485 -0.769) 2.834 10.036 ( -1.436 0.921 3.123) 3.559 10.074 ( -0.558 2.940 4.891) 5.734 10.427 ( 2.305 -0.148 -3.402) 4.112 10.854 ( 0.659 -2.774 -3.706) 4.676 10.923 ( -0.966 -1.756 3.752) 4.254 11.176 ( -1.915 6.052 -1.706) 6.573 11.197 ( -0.948 -0.583 4.604) 4.737 11.586 ( 8.445 5.595 1.886) 10.305 11.771 ( -7.568 9.481 3.574) 12.647 11.897 ( 1.841 7.321 -1.657) 7.729 13.609 ( 6.446 5.375 7.400) 11.189 14.192 ( -4.581 20.617 6.173) 22.003 15.162 ( -4.689 6.480 -23.931) 25.232 15.379 ( 1.243 15.431 5.235) 16.342 16.042 ( 5.948 -1.457 -4.343) 7.507 16.188 ( -0.853 -25.794 4.602) 26.215 16.606 ( 2.684 -16.273 6.210) 17.623 17.513 ( -8.213 -22.546 12.269) 26.950 18.613 ( 13.253 -7.890 -27.949) 31.923 19.509 ( -10.743 14.592 11.498) 21.461 21.280 ( -0.109 -0.442 -1.145) 1.232 21.714 ( -0.019 -2.173 -0.227) 2.185 ======================= Grid point 90 (48/60) ======================= q-point: (-0.14 -0.29 0.14) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( 6.970 -23.790 -8.438) 26.187 1.612 ( 10.698 -20.661 -14.680) 27.510 2.557 ( 7.471 -24.651 -11.644) 28.268 2.617 ( -9.108 2.206 1.443) 9.482 2.684 ( -10.324 -5.113 7.445) 13.717 3.248 ( 13.291 -1.011 -10.383) 16.896 4.106 ( 5.184 9.773 4.487) 11.938 4.542 ( -10.024 11.351 0.411) 15.149 4.876 ( 1.742 4.771 -9.924) 11.149 4.996 ( -1.591 -4.843 -1.635) 5.354 5.301 ( 0.529 3.668 6.743) 7.695 5.563 ( 2.725 3.460 9.210) 10.209 5.704 ( 2.377 3.240 1.451) 4.272 6.021 ( -11.522 3.751 2.126) 12.302 6.148 ( 8.035 3.123 3.790) 9.416 6.268 ( 0.676 10.529 6.907) 12.610 6.329 ( -10.837 -9.178 1.827) 14.318 6.527 ( 4.680 2.931 -7.015) 8.928 6.720 ( -3.982 6.484 -6.009) 9.696 6.862 ( -3.785 -0.591 -2.017) 4.330 7.041 ( -7.724 0.240 3.008) 8.292 7.271 ( 5.532 -11.782 7.762) 15.155 7.429 ( 2.461 -5.153 10.415) 11.878 7.555 ( 5.136 -0.097 -2.063) 5.535 7.626 ( -0.649 -6.067 -6.068) 8.605 7.799 ( -1.085 1.656 2.480) 3.173 8.043 ( -6.306 0.179 2.625) 6.833 8.094 ( -1.200 7.029 -2.170) 7.453 8.352 ( 0.851 3.668 3.000) 4.815 8.458 ( 0.598 3.804 -1.563) 4.155 8.517 ( 4.992 1.209 1.948) 5.493 8.762 ( 1.706 -3.281 -2.555) 4.495 8.861 ( -5.078 2.013 -5.352) 7.647 8.979 ( 0.974 -0.378 -0.805) 1.319 9.131 ( -1.911 2.372 3.518) 4.654 9.190 ( 2.505 -1.739 -2.888) 4.200 9.698 ( 1.994 -1.676 -2.377) 3.527 9.826 ( 5.085 0.234 -0.961) 5.181 10.060 ( -1.110 0.986 1.871) 2.388 10.159 ( -1.390 1.838 5.653) 6.104 10.416 ( 2.450 -3.236 -2.377) 4.703 10.732 ( -2.499 -3.578 -4.351) 6.162 10.970 ( 1.608 -4.156 2.626) 5.172 11.168 ( -3.582 6.865 -1.005) 7.808 11.258 ( 1.621 -0.232 6.032) 6.250 11.609 ( -8.919 5.837 -1.829) 10.815 11.905 ( 6.785 4.191 2.233) 8.282 11.973 ( 3.447 9.385 -3.816) 10.702 13.968 ( 12.045 8.787 11.070) 18.570 14.397 ( -5.368 21.903 9.439) 24.447 14.818 ( -1.329 -0.228 -23.530) 23.568 15.612 ( 5.742 11.652 4.888) 13.879 15.964 ( -5.345 -14.788 0.273) 15.727 16.220 ( 8.004 3.930 3.926) 9.743 16.544 ( -2.090 -15.618 11.148) 19.302 17.161 ( -20.723 -21.688 -3.429) 30.192 18.437 ( 19.218 -15.707 -23.801) 34.388 19.614 ( -9.165 12.965 12.419) 20.157 21.258 ( 0.322 -0.962 -1.360) 1.696 21.694 ( 0.076 -1.905 -0.033) 1.907 ======================= Grid point 114 (49/60) ======================= q-point: ( 0.29 0.29 0.29) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.007 ( -0.000 0.000 22.532) 22.532 2.007 ( -0.000 0.000 22.532) 22.532 2.558 ( -0.000 0.000 1.693) 1.693 3.056 ( -0.000 0.000 11.432) 11.432 3.161 ( -0.000 0.000 0.097) 0.097 3.161 ( 0.000 -0.000 0.097) 0.097 4.594 ( 0.000 -0.000 -4.341) 4.341 4.594 ( 0.000 0.000 -4.341) 4.341 4.839 ( 0.000 -0.000 -20.406) 20.406 4.839 ( 0.000 -0.000 -20.406) 20.406 5.073 ( 0.000 -0.000 -9.870) 9.870 5.436 ( -0.000 0.000 8.092) 8.092 5.436 ( -0.000 0.000 8.092) 8.092 5.696 ( -0.000 0.000 6.092) 6.092 5.843 ( -0.000 0.000 5.594) 5.594 6.408 ( -0.000 0.000 7.551) 7.551 6.408 ( -0.000 0.000 7.551) 7.551 6.717 ( 0.000 -0.000 -5.123) 5.123 6.717 ( 0.000 -0.000 -5.123) 5.123 6.926 ( -0.000 0.000 0.592) 0.592 7.024 ( -0.000 0.000 3.189) 3.189 7.291 ( -0.000 0.000 4.738) 4.738 7.291 ( -0.000 -0.000 4.738) 4.738 7.670 ( 0.000 -0.000 -3.442) 3.442 7.670 ( 0.000 -0.000 -3.442) 3.442 7.683 ( -0.000 0.000 4.798) 4.798 8.034 ( -0.000 0.000 7.960) 7.960 8.325 ( 0.000 -0.000 -5.924) 5.924 8.325 ( 0.000 -0.000 -5.924) 5.924 8.559 ( 0.000 0.000 0.921) 0.921 8.559 ( 0.000 0.000 0.921) 0.921 8.593 ( 0.000 -0.000 -2.672) 2.672 8.843 ( 0.000 -0.000 -6.997) 6.997 8.843 ( 0.000 -0.000 -6.997) 6.997 9.070 ( -0.000 0.000 6.984) 6.984 9.125 ( 0.000 -0.000 -2.563) 2.563 9.665 ( -0.000 0.000 3.177) 3.177 9.665 ( -0.000 0.000 3.177) 3.177 10.018 ( 0.000 0.000 -3.477) 3.477 10.018 ( 0.000 -0.000 -3.477) 3.477 10.187 ( -0.000 0.000 0.653) 0.653 10.884 ( 0.000 -0.000 -2.194) 2.194 11.011 ( 0.000 -0.000 -1.527) 1.527 11.011 ( 0.000 -0.000 -1.527) 1.527 11.460 ( -0.000 0.000 3.281) 3.281 11.608 ( 0.000 -0.000 -9.605) 9.605 11.608 ( 0.000 -0.000 -9.605) 9.605 12.128 ( 0.000 -0.000 -8.209) 8.209 13.943 ( 0.000 -0.000 -7.819) 7.819 13.943 ( 0.000 -0.000 -7.819) 7.819 14.536 ( 0.000 -0.000 -15.875) 15.875 14.536 ( 0.000 -0.000 -15.875) 15.875 16.068 ( -0.000 0.000 16.773) 16.773 16.824 ( -0.000 0.000 23.176) 23.176 16.824 ( -0.000 0.000 23.176) 23.176 18.304 ( 0.000 -0.000 9.075) 9.075 18.304 ( 0.000 0.000 9.075) 9.075 19.345 ( 0.000 -0.000 -18.681) 18.681 21.322 ( 0.000 -0.000 -0.362) 0.362 21.718 ( -0.000 0.000 2.489) 2.489 ======================= Grid point 115 (50/60) ======================= q-point: ( 0.43 0.29 0.29) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.208 ( -3.349 1.298 16.575) 16.960 2.372 ( 8.235 -1.266 18.974) 20.723 2.510 ( -8.929 -4.760 4.632) 11.129 2.890 ( -13.008 -7.989 -1.253) 15.317 3.164 ( 1.870 2.680 0.197) 3.273 3.380 ( 8.031 6.350 -2.082) 10.447 4.331 ( -7.664 -6.643 -7.283) 12.487 4.365 ( -1.736 -11.292 -17.313) 20.743 4.587 ( -8.786 11.188 -13.130) 19.359 4.821 ( 10.201 5.075 -5.827) 12.798 5.159 ( 15.285 5.069 -8.517) 18.217 5.416 ( -10.593 0.942 7.356) 12.931 5.571 ( 2.578 -7.884 11.972) 14.565 5.796 ( 3.632 2.708 3.920) 5.991 6.012 ( 2.492 3.518 11.471) 12.255 6.346 ( -10.077 -6.133 5.911) 13.195 6.526 ( -7.021 -3.731 -2.429) 8.314 6.649 ( 1.657 1.957 1.893) 3.188 6.802 ( 10.769 4.067 5.173) 12.620 6.860 ( -4.782 -2.272 2.231) 5.745 7.001 ( -5.759 0.057 -0.361) 5.771 7.257 ( -4.227 -2.179 1.934) 5.134 7.446 ( 9.246 -3.545 2.906) 10.320 7.608 ( -2.446 1.669 -2.347) 3.779 7.699 ( 5.391 3.289 0.481) 6.334 7.793 ( 3.466 2.655 1.836) 4.736 8.018 ( -7.097 -2.002 0.139) 7.375 8.193 ( -2.051 -5.930 -6.039) 8.709 8.280 ( -1.921 4.993 -6.201) 8.189 8.375 ( -5.426 -4.639 2.501) 7.564 8.632 ( -2.920 8.029 -2.990) 9.052 8.705 ( 7.865 -2.241 -1.603) 8.334 8.752 ( 5.786 -2.349 -3.117) 6.979 8.822 ( 1.405 2.567 -3.511) 4.571 9.094 ( -2.271 -0.108 3.113) 3.855 9.131 ( -0.929 -1.961 3.725) 4.311 9.711 ( 2.533 2.727 2.303) 4.377 9.798 ( 5.621 2.749 3.324) 7.085 9.925 ( -2.981 -2.397 -2.611) 4.631 9.980 ( -0.087 1.879 -4.284) 4.679 10.270 ( 6.912 2.738 -0.129) 7.436 10.811 ( -0.914 -0.980 -5.714) 5.869 10.979 ( -1.251 -1.398 1.210) 2.232 11.056 ( 2.932 3.425 -0.324) 4.520 11.346 ( -6.964 -3.693 -3.568) 8.653 11.514 ( 2.211 2.059 -8.791) 9.295 11.566 ( 3.894 1.729 -7.515) 8.639 12.005 ( -1.986 -2.177 -6.060) 6.738 13.770 ( 1.149 -4.156 -5.273) 6.811 13.908 ( 2.818 0.451 -12.539) 12.859 14.413 ( 2.066 8.431 -10.166) 13.368 14.539 ( 14.060 8.720 -10.383) 19.533 16.257 ( -3.978 -3.019 17.512) 18.210 16.935 ( -8.914 -8.339 18.587) 22.236 17.260 ( 5.722 4.014 28.502) 29.347 17.854 ( -26.872 -15.262 3.938) 31.154 18.835 ( 17.950 12.205 1.695) 21.773 19.067 ( -2.418 -2.282 -18.472) 18.768 21.309 ( -0.660 -0.332 -0.471) 0.876 21.748 ( -0.182 -0.093 2.278) 2.287 ======================= Grid point 116 (51/60) ======================= q-point: (-0.43 0.29 0.29) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.202 ( -13.950 -8.652 6.081) 17.506 2.472 ( -2.594 1.266 9.534) 9.961 2.542 ( -15.794 -9.356 2.964) 18.595 2.743 ( 9.227 -6.711 11.639) 16.298 3.119 ( -4.591 1.431 -7.802) 9.165 3.428 ( -2.671 6.289 -4.681) 8.283 3.953 ( -0.567 -13.236 -13.443) 18.874 4.325 ( 2.954 2.087 -0.849) 3.715 4.504 ( -2.812 18.060 -3.398) 18.590 4.910 ( 12.072 1.594 -10.862) 16.317 5.301 ( 5.089 -2.092 -1.979) 5.847 5.394 ( -1.541 6.529 4.403) 8.025 5.675 ( -0.234 -10.610 13.151) 16.899 5.926 ( 4.610 5.050 0.661) 6.870 6.134 ( -7.913 -7.911 -1.475) 11.286 6.226 ( -1.172 1.424 12.054) 12.194 6.406 ( -6.834 0.651 1.391) 7.004 6.535 ( -5.685 -4.165 -1.665) 7.242 6.854 ( -4.246 3.686 -3.322) 6.531 6.877 ( -3.221 -3.263 2.755) 5.349 7.154 ( 3.540 -7.048 5.944) 9.876 7.226 ( 8.344 7.411 5.019) 12.237 7.539 ( 3.883 -7.191 -1.793) 8.367 7.571 ( 0.360 3.408 0.260) 3.436 7.818 ( 0.859 5.138 0.892) 5.285 7.862 ( -1.350 1.498 -1.481) 2.502 7.934 ( 0.447 -0.928 -2.603) 2.799 7.999 ( 0.926 -5.789 -2.981) 6.577 8.168 ( -3.766 3.162 -9.509) 10.705 8.386 ( -4.106 5.747 4.756) 8.516 8.537 ( -1.918 -2.012 -5.556) 6.212 8.768 ( 4.181 -0.318 -0.391) 4.212 8.831 ( 5.254 2.551 -0.756) 5.890 8.874 ( 3.526 0.358 2.234) 4.189 9.113 ( -2.307 -1.621 1.771) 3.330 9.138 ( -0.035 -0.883 4.981) 5.059 9.755 ( -2.160 -0.362 -1.505) 2.657 9.859 ( -1.866 -0.160 -0.621) 1.973 9.903 ( 3.456 3.149 1.903) 5.049 10.007 ( 6.323 2.595 -2.243) 7.194 10.380 ( 5.157 0.642 -1.596) 5.437 10.760 ( 4.871 1.601 -4.457) 6.794 10.969 ( -2.523 0.328 1.757) 3.092 11.118 ( -1.508 2.512 -0.563) 2.983 11.226 ( 1.113 -0.645 0.210) 1.304 11.479 ( 3.643 2.232 -10.173) 11.033 11.546 ( 4.422 3.248 -4.313) 6.979 11.893 ( -1.533 -3.043 -3.746) 5.064 13.767 ( 8.106 -1.729 -5.130) 9.748 13.778 ( 5.457 -2.852 -12.018) 13.504 14.483 ( 3.312 14.243 -0.863) 14.648 14.771 ( 17.147 15.721 -8.074) 24.624 16.286 ( -10.463 -9.786 12.450) 18.980 16.908 ( -11.035 -12.292 12.944) 20.986 17.377 ( -21.621 -15.398 1.524) 26.587 17.735 ( 1.561 5.175 29.481) 29.972 18.662 ( -10.417 -6.609 -15.198) 19.575 19.203 ( 15.465 11.575 -6.810) 20.482 21.290 ( -0.822 -0.431 -0.032) 0.929 21.762 ( -0.885 -0.442 1.413) 1.724 ======================= Grid point 117 (52/60) ======================= q-point: (-0.29 0.29 0.29) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.967 ( -16.306 -11.891 9.355) 22.244 2.174 ( -20.969 -14.774 3.899) 25.946 2.571 ( 1.527 4.393 1.962) 5.047 2.875 ( -8.589 -3.017 -11.502) 14.668 2.980 ( 9.005 -6.847 10.383) 15.355 3.310 ( -15.205 1.105 3.511) 15.644 3.823 ( 7.416 -1.898 -6.053) 9.759 4.394 ( 4.220 9.772 -4.137) 11.420 4.683 ( 4.351 13.544 2.755) 14.490 4.980 ( 13.674 1.426 -7.791) 15.803 5.249 ( -7.044 -4.947 5.079) 9.994 5.499 ( 1.796 0.048 -0.864) 1.993 5.714 ( -1.946 -3.186 7.331) 8.227 5.946 ( -0.014 -11.179 -3.624) 11.751 6.030 ( 4.279 6.795 -1.948) 8.263 6.228 ( -7.513 1.848 -0.166) 7.739 6.366 ( 1.392 -6.569 -1.814) 6.955 6.578 ( 0.622 5.400 13.746) 14.781 6.740 ( -5.903 7.587 -5.222) 10.940 6.896 ( 1.023 -3.787 2.674) 4.748 7.117 ( 0.908 -3.146 -1.470) 3.589 7.402 ( -3.915 -2.320 -4.216) 6.203 7.432 ( 0.877 -8.240 -1.872) 8.495 7.613 ( 0.678 0.167 -0.143) 0.713 7.741 ( -5.227 -2.007 -4.548) 7.213 7.870 ( 0.519 3.009 -2.266) 3.803 7.913 ( 4.280 1.585 2.721) 5.314 8.053 ( -0.545 2.216 4.430) 4.983 8.145 ( 6.833 7.103 -5.020) 11.061 8.415 ( -1.888 5.688 0.261) 5.999 8.446 ( 0.040 -2.066 -3.849) 4.368 8.812 ( 1.029 -1.336 1.842) 2.497 8.915 ( 3.065 2.844 -0.498) 4.211 8.940 ( 1.082 -1.478 2.662) 3.232 9.075 ( 0.701 -1.520 -1.925) 2.551 9.202 ( -1.729 -0.656 6.810) 7.057 9.707 ( -1.126 -0.748 1.249) 1.841 9.810 ( -1.709 -1.451 -0.305) 2.263 10.022 ( 3.659 4.682 -0.513) 5.964 10.063 ( 4.072 -0.067 -3.441) 5.331 10.395 ( 1.968 -1.742 -0.684) 2.716 10.852 ( 4.562 -0.063 0.307) 4.573 10.957 ( -1.058 4.887 -1.767) 5.303 11.079 ( -1.453 0.541 1.676) 2.284 11.267 ( 0.908 -1.880 -2.940) 3.606 11.481 ( 7.537 3.829 -2.891) 8.934 11.643 ( 8.093 6.657 -4.051) 11.235 11.827 ( 0.056 -1.361 -0.491) 1.448 13.658 ( 5.534 -4.830 -10.438) 12.764 13.928 ( 14.651 6.948 -4.136) 16.735 14.737 ( 5.812 14.540 10.953) 19.110 15.097 ( 18.430 17.259 -6.142) 25.986 16.134 ( -9.983 -13.819 7.084) 18.461 16.639 ( -20.586 -14.912 2.421) 25.535 17.011 ( -13.790 -14.915 -1.308) 20.355 17.960 ( -21.475 11.294 1.930) 24.340 18.393 ( 4.784 -21.789 15.008) 26.886 19.387 ( 9.848 15.686 -11.382) 21.739 21.279 ( -0.668 -0.405 0.657) 1.021 21.748 ( -1.707 -0.885 0.442) 1.972 ======================= Grid point 122 (53/60) ======================= q-point: ( 0.43 0.43 0.29) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.425 ( 6.447 -4.539 13.979) 16.049 2.473 ( -6.783 -4.102 9.127) 12.089 2.664 ( -1.253 1.023 8.552) 8.704 2.832 ( -1.816 -15.971 -1.023) 16.106 3.230 ( 0.023 8.824 -2.803) 9.259 3.312 ( 4.266 12.103 -8.881) 15.607 4.117 ( -9.936 -14.091 -9.885) 19.874 4.278 ( -0.722 -11.452 -1.973) 11.643 4.399 ( 13.506 2.662 -11.931) 18.217 4.813 ( -1.819 15.077 -8.782) 17.543 5.050 ( -2.178 13.943 -3.954) 14.656 5.532 ( 7.280 -10.030 9.876) 15.847 5.644 ( -8.360 -2.755 4.774) 10.014 5.875 ( 0.133 7.299 5.730) 9.281 6.178 ( 0.931 -1.707 15.476) 15.598 6.404 ( -3.323 -6.080 -7.332) 10.088 6.513 ( 4.371 -1.562 1.061) 4.762 6.697 ( 2.312 -3.698 4.458) 6.236 6.833 ( -1.959 -4.211 8.091) 9.329 6.915 ( -1.598 0.473 8.403) 8.567 7.003 ( 1.285 -0.566 -0.762) 1.598 7.253 ( 0.974 -5.755 -0.794) 5.891 7.493 ( -6.924 7.728 2.181) 10.603 7.594 ( -1.701 -2.031 -2.099) 3.380 7.668 ( 5.867 6.170 -1.774) 8.697 7.818 ( -0.167 4.780 0.378) 4.798 7.980 ( 1.743 -9.273 -7.199) 11.868 8.048 ( -4.511 -4.629 -5.523) 8.502 8.252 ( 5.142 3.718 -7.332) 9.697 8.472 ( 1.649 -4.504 0.106) 4.798 8.531 ( 1.336 -0.681 5.306) 5.513 8.655 ( -4.923 -1.548 -3.775) 6.394 8.735 ( 1.007 5.075 -0.720) 5.224 8.818 ( -0.968 7.675 -2.167) 8.033 9.159 ( -0.403 1.262 4.454) 4.647 9.184 ( 0.293 -5.984 6.489) 8.832 9.729 ( 0.899 1.922 2.080) 2.971 9.837 ( 0.054 4.982 2.215) 5.453 9.907 ( -1.132 -0.512 -2.530) 2.818 9.926 ( 1.185 0.496 -3.164) 3.415 10.262 ( -0.667 7.054 -0.989) 7.154 10.716 ( -0.489 1.539 -9.716) 9.849 11.022 ( -1.168 -0.759 2.465) 2.831 11.031 ( 2.255 1.897 0.332) 2.966 11.314 ( 3.933 -2.833 -7.054) 8.558 11.354 ( -3.941 1.525 -7.863) 8.927 11.484 ( 0.130 0.347 -4.908) 4.922 11.948 ( -0.502 -3.694 -1.919) 4.193 13.645 ( -1.939 -8.317 -4.029) 9.442 13.779 ( -2.186 0.455 -8.388) 8.680 14.342 ( 4.624 14.706 -8.278) 17.498 14.462 ( 0.725 22.461 -8.789) 24.131 16.500 ( -0.583 -4.499 17.894) 18.460 17.184 ( -2.273 -14.431 16.595) 22.109 17.560 ( 0.765 1.398 27.896) 27.941 17.845 ( -0.693 -33.694 0.268) 33.702 18.790 ( 3.383 10.222 -12.508) 16.504 18.903 ( -1.968 14.443 -10.305) 17.851 21.304 ( 0.022 -0.507 -0.380) 0.634 21.774 ( 0.022 -0.481 1.887) 1.947 ======================= Grid point 123 (54/60) ======================= q-point: (-0.43 0.43 0.29) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.389 ( -8.454 -7.494 4.534) 12.173 2.615 ( -7.985 -7.140 4.947) 11.799 2.629 ( 0.764 -9.648 3.197) 10.193 2.677 ( 0.115 -7.784 6.205) 9.956 3.191 ( -6.941 8.882 -6.210) 12.870 3.411 ( 6.292 11.552 -8.287) 15.547 3.784 ( -6.655 -10.312 -2.657) 12.557 4.203 ( 6.870 -7.336 -2.426) 10.339 4.573 ( 11.192 8.230 0.841) 13.918 4.750 ( -4.546 15.344 -12.041) 20.027 5.182 ( 6.135 8.796 -0.373) 10.730 5.584 ( -5.437 0.544 5.142) 7.503 5.689 ( 5.972 -9.034 10.542) 15.114 5.921 ( -1.553 -1.304 -3.155) 3.750 6.177 ( -9.968 -8.901 3.206) 13.742 6.332 ( 0.083 -2.548 5.924) 6.450 6.514 ( -0.994 1.638 -0.683) 2.034 6.697 ( -11.152 -0.902 6.275) 12.828 6.774 ( 5.757 -12.497 1.281) 13.819 6.921 ( -5.922 2.135 -6.450) 9.012 7.120 ( -1.315 -10.177 -2.998) 10.690 7.219 ( 6.750 2.922 15.227) 16.911 7.539 ( -0.752 6.188 1.958) 6.534 7.552 ( 2.047 1.081 -2.394) 3.330 7.768 ( 0.771 -6.300 -8.670) 10.745 7.835 ( 6.319 1.918 0.644) 6.635 7.873 ( -0.397 6.243 -0.678) 6.293 7.912 ( -0.817 -0.621 -6.198) 6.282 8.217 ( -2.933 3.516 -3.411) 5.710 8.453 ( -4.518 -3.739 -3.775) 6.975 8.534 ( 6.476 -3.380 0.387) 7.315 8.650 ( -0.920 4.024 3.036) 5.124 8.803 ( 2.919 2.522 1.196) 4.039 8.871 ( 2.821 6.284 -1.004) 6.961 9.136 ( -2.670 -4.878 1.513) 5.763 9.270 ( -1.518 -0.055 8.967) 9.095 9.765 ( -0.898 -0.652 0.002) 1.110 9.858 ( -0.411 -1.242 -1.742) 2.179 9.891 ( 1.962 1.933 0.468) 2.794 9.953 ( 2.753 5.955 -1.693) 6.776 10.323 ( 2.517 4.754 -1.626) 5.620 10.649 ( 3.356 6.334 -6.640) 9.771 11.012 ( -1.426 -0.281 0.714) 1.620 11.127 ( 5.429 0.527 1.023) 5.550 11.221 ( -5.125 0.709 -1.636) 5.427 11.315 ( 5.168 1.536 -5.559) 7.744 11.445 ( 3.202 2.788 -4.478) 6.171 11.886 ( -2.243 -3.566 0.458) 4.238 13.584 ( 6.039 -4.840 -0.600) 7.763 13.650 ( -3.145 1.051 -5.347) 6.291 14.522 ( 8.336 20.487 -3.782) 22.439 14.641 ( 9.058 25.693 -9.554) 28.870 16.538 ( -11.553 -11.193 11.998) 20.067 17.138 ( -9.169 -17.896 14.879) 25.015 17.374 ( -12.310 -31.333 -3.676) 33.865 18.030 ( 9.797 -5.054 27.543) 29.667 18.565 ( -10.044 3.626 -16.484) 19.640 19.055 ( 10.116 18.863 -9.982) 23.617 21.295 ( -0.305 -0.347 -0.007) 0.462 21.783 ( -0.556 -0.987 0.973) 1.493 ======================= Grid point 124 (55/60) ======================= q-point: (-0.29 0.43 0.29) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.225 ( -13.304 -6.956 5.694) 16.056 2.387 ( -14.682 -11.266 5.775) 19.386 2.551 ( -0.526 -5.457 -1.526) 5.691 2.704 ( 2.887 -14.841 -3.511) 15.521 3.077 ( -6.687 6.074 1.346) 9.133 3.469 ( 1.658 4.013 -1.410) 4.565 3.728 ( 1.688 3.755 1.664) 4.441 4.305 ( 10.967 1.248 -0.187) 11.040 4.657 ( 0.853 11.671 -14.632) 18.736 4.862 ( 8.830 10.540 6.037) 15.017 5.300 ( 1.038 0.888 2.872) 3.180 5.602 ( -7.770 -1.564 5.219) 9.490 5.664 ( 0.841 -4.205 -8.497) 9.517 5.899 ( 5.781 -1.672 3.907) 7.175 6.018 ( -7.752 -14.782 7.552) 18.320 6.316 ( -3.306 0.182 -0.128) 3.314 6.428 ( -14.610 0.632 -2.077) 14.771 6.689 ( 4.888 -4.620 3.493) 7.578 6.742 ( 3.099 -2.250 -2.671) 4.669 6.815 ( 1.059 1.400 -3.528) 3.941 7.038 ( 0.724 -6.314 0.816) 6.408 7.370 ( -4.530 -3.240 -0.091) 5.570 7.470 ( -5.670 1.631 -0.067) 5.900 7.626 ( 1.009 -0.883 2.825) 3.127 7.712 ( -0.798 -2.593 -2.422) 3.637 7.783 ( 4.836 -0.538 -0.975) 4.963 7.921 ( 0.824 4.757 -0.447) 4.848 8.053 ( 8.969 8.456 -1.075) 12.373 8.171 ( -2.478 4.285 -1.636) 5.213 8.319 ( -0.266 -3.310 -4.844) 5.873 8.584 ( -3.800 1.967 3.080) 5.272 8.714 ( 6.371 0.537 -0.971) 6.467 8.895 ( 2.908 1.656 3.281) 4.686 8.931 ( 0.582 1.167 -1.370) 1.892 9.067 ( -2.198 -2.048 -0.536) 3.052 9.320 ( -2.547 -0.707 3.858) 4.677 9.749 ( -1.269 -0.132 2.587) 2.885 9.814 ( -0.937 0.014 -1.397) 1.682 9.975 ( 3.668 2.290 0.307) 4.335 10.001 ( 2.473 2.540 -2.412) 4.288 10.375 ( 1.672 2.941 1.016) 3.532 10.748 ( 6.732 5.196 -1.466) 8.629 10.998 ( -0.185 -0.778 -0.226) 0.831 11.147 ( -4.934 3.295 0.373) 5.944 11.178 ( 3.373 -2.249 -2.961) 5.020 11.326 ( 4.436 -2.681 -1.735) 5.466 11.585 ( 8.146 13.352 -1.523) 15.715 11.843 ( -1.454 -0.989 0.957) 2.002 13.560 ( -3.337 3.248 -2.428) 5.252 13.748 ( 13.091 4.010 1.896) 13.822 14.848 ( 11.837 20.180 4.257) 23.779 14.905 ( 15.438 21.115 -10.525) 28.195 16.327 ( -15.349 -15.791 9.186) 23.861 16.842 ( -18.562 -22.983 2.241) 29.627 16.986 ( -11.033 -20.333 0.759) 23.146 18.092 ( -10.397 -13.252 -16.604) 23.652 18.525 ( 0.897 4.487 26.664) 27.054 19.219 ( 11.905 14.522 -12.913) 22.790 21.291 ( -0.249 -0.136 0.316) 0.424 21.765 ( -1.275 -1.338 0.114) 1.852 ======================= Grid point 129 (56/60) ======================= q-point: ( 0.43 -0.43 0.29) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.372 ( 7.179 -7.575 4.774) 11.477 2.571 ( 2.526 -4.974 4.891) 7.420 2.687 ( 6.064 -9.633 4.679) 12.307 2.790 ( -2.247 -8.006 2.392) 8.652 3.200 ( 5.401 10.097 -5.476) 12.693 3.253 ( -2.083 6.188 -5.794) 8.730 3.988 ( 2.576 -11.818 -9.646) 15.471 4.168 ( 0.180 5.030 -4.827) 6.974 4.315 ( -7.699 -1.028 7.965) 11.125 4.844 ( -1.424 13.599 -9.026) 16.384 5.236 ( -8.358 12.728 -2.684) 15.462 5.477 ( 6.013 -7.859 10.556) 14.469 5.755 ( -6.609 -4.843 0.830) 8.235 5.940 ( 3.860 2.166 -1.417) 4.647 6.302 ( 4.519 -2.824 5.239) 7.473 6.378 ( 3.439 -0.515 10.319) 10.889 6.401 ( 1.210 -6.142 5.342) 8.229 6.586 ( 3.884 -4.756 -3.819) 7.231 6.760 ( 9.175 -6.456 -3.371) 11.714 6.915 ( -3.030 -7.582 2.442) 8.522 7.141 ( 2.090 -2.151 -4.101) 5.081 7.321 ( -9.078 6.539 12.945) 17.109 7.553 ( 2.599 -1.009 0.941) 2.943 7.624 ( 1.492 6.641 -3.789) 7.790 7.675 ( -7.991 0.115 -2.557) 8.391 7.813 ( -1.173 -3.826 -2.244) 4.588 7.927 ( -2.255 6.056 -1.349) 6.602 7.946 ( -1.037 -0.288 -12.087) 12.135 8.109 ( 5.826 -1.180 2.044) 6.286 8.358 ( 2.530 -7.361 -0.138) 7.785 8.557 ( 5.309 2.843 0.333) 6.031 8.717 ( -8.333 -0.875 -0.830) 8.420 8.799 ( -1.746 5.523 1.974) 6.120 8.896 ( -2.998 7.057 -2.360) 8.023 9.145 ( 2.468 -6.443 1.502) 7.062 9.258 ( 1.606 0.500 8.799) 8.959 9.769 ( 0.845 0.620 1.460) 1.797 9.825 ( -0.408 -1.724 -1.379) 2.245 9.906 ( -0.544 1.579 0.545) 1.757 9.960 ( -3.154 5.831 -2.201) 6.985 10.344 ( -3.682 6.267 -2.504) 7.688 10.661 ( -3.770 7.017 -7.501) 10.942 10.994 ( 2.887 -2.414 2.278) 4.399 11.088 ( -1.912 -0.282 0.816) 2.097 11.196 ( -1.422 -0.338 -1.912) 2.407 11.363 ( -1.097 3.692 -5.496) 6.711 11.440 ( -3.882 1.591 -3.463) 5.440 11.898 ( 1.622 -2.777 -0.473) 3.250 13.617 ( -7.469 -3.545 -3.159) 8.851 13.723 ( 0.612 4.763 -7.608) 8.997 14.407 ( -3.842 15.275 0.513) 15.759 14.604 ( -7.174 21.844 -6.669) 23.940 16.571 ( 9.459 -7.930 10.798) 16.399 17.160 ( 8.718 -16.460 7.848) 20.212 17.480 ( 9.464 -27.276 -0.144) 28.872 17.894 ( -2.713 -11.066 21.248) 24.110 18.691 ( 1.126 10.563 -2.388) 10.888 18.957 ( -5.502 13.722 -15.661) 21.537 21.295 ( 0.299 -0.331 0.024) 0.447 21.782 ( 0.597 -1.062 0.997) 1.574 ======================= Grid point 130 (57/60) ======================= q-point: (-0.43 -0.43 0.29) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.375 ( 0.351 -11.287 -0.515) 11.305 2.571 ( 1.607 -9.840 1.110) 10.032 2.630 ( -1.104 -7.645 -0.833) 7.769 2.768 ( -5.875 -11.178 9.025) 15.521 3.150 ( 8.323 6.328 -10.904) 15.107 3.363 ( -2.351 11.477 -3.618) 12.262 3.785 ( 0.333 -9.362 -1.172) 9.441 4.138 ( -8.016 2.592 4.075) 9.359 4.488 ( 9.860 7.772 3.809) 13.120 4.813 ( -2.362 13.449 -9.163) 16.444 5.250 ( -1.187 10.429 -0.143) 10.497 5.652 ( 3.902 -1.244 5.131) 6.565 5.666 ( 0.886 -7.338 4.148) 8.476 5.883 ( -4.617 -0.947 -3.935) 6.140 6.320 ( -6.484 -18.003 4.244) 19.600 6.357 ( 2.047 -0.436 2.313) 3.119 6.450 ( 2.853 -8.066 -5.031) 9.925 6.570 ( -0.105 -2.422 2.983) 3.844 6.799 ( 0.211 1.424 -4.431) 4.659 6.917 ( 8.461 -1.540 3.008) 9.111 7.072 ( -6.674 -5.758 -1.470) 8.936 7.380 ( 1.680 -5.884 8.846) 10.756 7.518 ( -2.822 1.942 0.897) 3.541 7.622 ( -1.542 3.617 -1.665) 4.270 7.665 ( -1.386 -0.568 -1.088) 1.851 7.773 ( 3.820 4.324 -0.331) 5.779 7.850 ( 0.007 2.766 -3.019) 4.095 7.944 ( -1.781 6.663 -0.851) 6.949 8.168 ( 1.931 -0.907 -2.409) 3.218 8.366 ( 6.188 -4.625 0.682) 7.755 8.526 ( -10.427 -2.292 -2.189) 10.898 8.724 ( 6.878 4.861 2.799) 8.875 8.843 ( -3.519 4.674 1.080) 5.949 8.890 ( 0.478 6.029 -1.327) 6.192 9.123 ( 0.316 -5.869 0.593) 5.908 9.351 ( 0.089 -2.628 3.381) 4.283 9.781 ( -0.926 -0.426 -0.040) 1.020 9.815 ( 1.716 -1.041 -0.692) 2.123 9.923 ( -1.009 3.485 1.660) 3.990 9.948 ( -0.032 4.039 -2.300) 4.648 10.338 ( -0.277 6.086 -1.646) 6.311 10.644 ( -0.067 11.250 -2.245) 11.472 11.030 ( -0.564 -3.077 -0.430) 3.158 11.069 ( 0.255 1.044 1.160) 1.581 11.221 ( 4.445 0.038 1.031) 4.563 11.335 ( -4.144 7.546 -1.702) 8.776 11.396 ( 0.771 3.144 0.111) 3.239 11.879 ( -0.070 -3.231 0.048) 3.232 13.511 ( 0.265 -3.403 2.293) 4.112 13.695 ( -2.417 6.387 -1.806) 7.064 14.573 ( 2.188 22.932 -0.856) 23.052 14.675 ( 0.944 25.096 -8.682) 26.572 16.609 ( -0.614 -15.566 -0.524) 15.587 17.132 ( 0.252 -26.296 5.590) 26.885 17.252 ( -3.035 -27.909 3.762) 28.325 18.041 ( 3.372 -15.386 13.088) 20.479 18.749 ( -5.672 17.350 0.925) 18.277 18.896 ( 4.474 13.197 -14.145) 19.856 21.295 ( -0.009 -0.201 -0.027) 0.203 21.784 ( 0.030 -1.583 0.303) 1.612 ======================= Grid point 131 (58/60) ======================= q-point: (-0.29 -0.43 0.29) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.239 ( 1.539 -12.360 -4.549) 13.260 2.438 ( -1.019 -17.265 -3.676) 17.681 2.533 ( -4.456 -6.736 -1.201) 8.166 2.661 ( -11.510 -6.358 10.060) 16.556 3.215 ( -1.231 2.772 -2.112) 3.696 3.337 ( 7.772 3.259 -6.258) 10.497 3.812 ( 1.553 0.450 6.435) 6.635 4.184 ( 3.116 5.159 3.041) 6.751 4.606 ( -1.241 10.330 -9.053) 13.792 4.911 ( 6.953 11.747 3.852) 14.184 5.343 ( 2.778 1.661 2.804) 4.282 5.500 ( -5.013 -4.728 -10.445) 12.513 5.780 ( -2.319 0.796 3.450) 4.232 5.847 ( 0.455 0.789 4.861) 4.945 6.113 ( -5.890 -15.305 6.669) 17.703 6.292 ( 3.952 -9.902 -8.075) 13.375 6.469 ( 2.542 -0.718 3.694) 4.541 6.586 ( 0.601 -1.546 2.348) 2.875 6.668 ( -5.194 2.951 -16.328) 17.387 6.882 ( -10.247 -2.222 3.151) 10.949 7.033 ( 1.431 -1.641 4.873) 5.338 7.458 ( -2.573 -5.655 4.941) 7.938 7.539 ( 1.532 -0.552 -0.836) 1.831 7.585 ( 1.620 4.001 -0.006) 4.317 7.706 ( 4.005 -4.741 6.762) 9.178 7.770 ( -5.030 0.662 0.741) 5.127 7.934 ( 0.841 7.521 -5.639) 9.438 8.002 ( 2.915 3.588 3.178) 5.609 8.124 ( 3.175 1.924 -4.307) 5.686 8.333 ( -6.049 1.404 -2.529) 6.705 8.491 ( 7.818 -2.567 1.603) 8.384 8.813 ( -5.345 4.249 1.212) 6.935 8.865 ( 3.165 0.880 -0.600) 3.339 8.958 ( 1.879 4.388 1.988) 5.171 9.069 ( -2.402 -3.427 -0.716) 4.246 9.314 ( 0.948 -2.318 -4.015) 4.732 9.757 ( 0.864 -1.210 -2.033) 2.518 9.820 ( -0.061 0.503 0.561) 0.756 9.968 ( 0.723 2.988 -0.669) 3.146 10.001 ( 1.387 3.898 4.176) 5.879 10.398 ( 2.283 3.912 1.410) 4.744 10.763 ( 1.211 10.089 2.713) 10.517 10.955 ( -0.946 -4.206 -3.027) 5.268 11.098 ( 1.693 -0.137 -0.916) 1.930 11.254 ( -1.758 -1.254 2.113) 3.021 11.321 ( -4.246 6.699 1.310) 8.039 11.569 ( 7.942 11.442 1.702) 14.032 11.853 ( -0.071 -1.166 -0.116) 1.174 13.649 ( 8.780 1.651 7.979) 11.978 13.719 ( -4.432 10.961 2.725) 12.133 14.746 ( 7.254 18.501 -12.689) 23.578 14.897 ( 8.924 22.691 1.060) 24.406 16.387 ( -2.842 -16.924 -2.506) 17.343 16.809 ( -9.376 -26.672 1.347) 28.304 17.094 ( -10.548 -20.414 7.849) 24.282 17.907 ( -8.403 -16.268 -7.972) 19.970 18.900 ( 14.797 4.812 -10.807) 18.944 18.947 ( -5.110 14.494 11.402) 19.136 21.291 ( 0.035 -0.297 -0.257) 0.395 21.764 ( -0.572 -1.784 -0.255) 1.891 ======================= Grid point 171 (59/60) ======================= q-point: ( 0.43 0.43 0.43) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.655 ( -0.000 0.000 11.305) 11.305 2.655 ( -0.000 0.000 11.305) 11.305 2.713 ( -0.000 0.000 4.493) 4.493 3.002 ( 0.000 0.000 -8.452) 8.452 3.002 ( 0.000 -0.000 -8.452) 8.452 3.121 ( 0.000 -0.000 -2.723) 2.723 4.226 ( 0.000 -0.000 -0.393) 0.393 4.226 ( 0.000 -0.000 -0.393) 0.393 4.468 ( 0.000 -0.000 -8.600) 8.600 4.468 ( 0.000 -0.000 -8.600) 8.600 4.825 ( 0.000 -0.000 -3.086) 3.086 5.683 ( 0.000 -0.000 -2.260) 2.260 5.826 ( -0.000 -0.000 10.030) 10.030 5.826 ( -0.000 0.000 10.030) 10.030 6.401 ( 0.000 0.000 -8.176) 8.176 6.401 ( 0.000 -0.000 -8.176) 8.176 6.412 ( -0.000 0.000 16.162) 16.162 6.963 ( 0.000 -0.000 -1.614) 1.614 6.973 ( -0.000 0.000 16.844) 16.844 6.973 ( -0.000 -0.000 16.844) 16.844 7.012 ( 0.000 -0.000 -1.734) 1.734 7.338 ( 0.000 -0.000 -1.485) 1.485 7.338 ( -0.000 -0.000 -1.485) 1.485 7.614 ( -0.000 -0.000 -1.618) 1.618 7.614 ( 0.000 -0.000 -1.618) 1.618 7.741 ( 0.000 -0.000 -2.565) 2.565 7.937 ( 0.000 -0.000 -12.059) 12.059 7.937 ( 0.000 -0.000 -12.059) 12.059 8.220 ( -0.000 0.000 2.884) 2.884 8.554 ( 0.000 -0.000 0.330) 0.330 8.554 ( -0.000 0.000 0.330) 0.330 8.613 ( -0.000 0.000 0.890) 0.890 8.697 ( 0.000 -0.000 -1.662) 1.662 8.697 ( 0.000 -0.000 -1.662) 1.662 9.242 ( -0.000 0.000 7.368) 7.368 9.337 ( -0.000 0.000 7.450) 7.450 9.765 ( 0.000 0.000 1.684) 1.684 9.765 ( 0.000 0.000 1.684) 1.684 9.890 ( 0.000 -0.000 -2.471) 2.471 9.890 ( 0.000 -0.000 -2.471) 2.471 10.188 ( 0.000 -0.000 -0.065) 0.065 10.537 ( 0.000 -0.000 -13.951) 13.951 11.048 ( -0.000 0.000 2.657) 2.657 11.048 ( -0.000 0.000 2.657) 2.657 11.225 ( 0.000 -0.000 -8.013) 8.013 11.225 ( 0.000 -0.000 -8.013) 8.013 11.457 ( 0.000 -0.000 -1.340) 1.340 11.969 ( 0.000 -0.000 -0.241) 0.241 13.691 ( 0.000 -0.000 -3.963) 3.963 13.691 ( 0.000 -0.000 -3.963) 3.963 14.147 ( 0.000 -0.000 -5.108) 5.108 14.147 ( 0.000 0.000 -5.108) 5.108 16.769 ( -0.000 0.000 15.717) 15.717 17.702 ( -0.000 0.000 20.992) 20.992 17.702 ( -0.000 0.000 20.992) 20.992 18.316 ( 0.000 -0.000 -8.177) 8.177 18.316 ( 0.000 -0.000 -8.177) 8.177 18.631 ( 0.000 -0.000 -15.552) 15.552 21.303 ( 0.000 -0.000 -0.341) 0.341 21.801 ( -0.000 0.000 1.398) 1.398 ======================= Grid point 172 (60/60) ======================= q-point: (-0.43 0.43 0.43) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.16e-06 1.16e-06 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.552 ( -10.425 -5.773 2.996) 12.288 2.728 ( -8.371 0.522 2.765) 8.831 2.773 ( -4.078 -8.061 -3.707) 9.765 2.897 ( 7.156 0.727 8.643) 11.244 3.038 ( -3.588 -3.365 -6.108) 7.842 3.122 ( 9.804 10.989 -2.608) 14.956 4.004 ( -11.252 -14.157 1.928) 18.187 4.205 ( -7.439 4.097 -6.914) 10.951 4.427 ( 3.169 7.765 3.958) 9.274 4.519 ( 12.065 0.071 -4.367) 12.831 4.998 ( 14.819 8.124 -0.974) 16.928 5.647 ( -1.940 -0.936 1.989) 2.932 5.864 ( -3.636 1.139 5.034) 6.313 5.908 ( -3.301 -4.551 -3.258) 6.498 6.293 ( 1.554 -2.763 4.225) 5.282 6.399 ( 3.094 4.292 -5.815) 7.862 6.565 ( -0.823 -2.151 8.977) 9.268 6.795 ( -11.562 -8.027 -0.697) 14.092 6.837 ( -15.307 0.925 -1.054) 15.371 7.020 ( -2.155 -10.431 4.647) 11.621 7.151 ( -5.848 1.518 -5.236) 7.995 7.381 ( 9.600 2.325 15.235) 18.157 7.491 ( 3.310 1.541 1.404) 3.912 7.555 ( 1.921 -0.581 -0.213) 2.018 7.624 ( 5.439 4.762 -13.631) 15.429 7.726 ( 0.424 1.984 -2.967) 3.594 7.835 ( 2.600 0.889 0.545) 2.801 7.840 ( -0.041 -0.307 -5.245) 5.254 8.197 ( -4.149 -1.390 1.563) 4.647 8.494 ( -5.338 -5.709 -1.437) 7.946 8.540 ( -5.286 5.126 1.358) 7.487 8.643 ( 8.828 -3.246 -0.554) 9.422 8.737 ( 3.052 6.283 0.711) 7.021 8.780 ( 6.653 1.904 -1.020) 6.995 9.242 ( -5.354 -3.456 1.135) 6.473 9.396 ( -2.753 -1.148 5.800) 6.522 9.790 ( 0.194 0.273 2.284) 2.308 9.822 ( 1.402 0.367 -3.251) 3.560 9.862 ( 1.655 2.357 0.594) 2.941 9.881 ( 1.979 -0.020 -0.599) 2.068 10.241 ( 4.352 2.395 -0.802) 5.032 10.464 ( 7.128 4.013 -5.137) 9.659 11.047 ( -1.280 -1.534 2.855) 3.485 11.102 ( -1.673 1.153 -3.129) 3.731 11.168 ( 4.307 3.142 1.613) 5.570 11.209 ( 5.173 1.354 -4.484) 6.979 11.419 ( -2.064 -1.287 -1.057) 2.653 11.940 ( -2.714 -1.632 0.167) 3.172 13.613 ( -3.188 -2.198 -2.746) 4.747 13.633 ( -0.014 -0.866 -0.869) 1.227 14.243 ( 11.250 9.607 0.380) 14.799 14.271 ( 15.066 7.098 -2.533) 16.846 16.820 ( -9.434 -5.658 6.339) 12.696 17.582 ( -20.754 -9.704 12.756) 26.222 17.722 ( -19.414 -16.190 -9.590) 27.037 18.226 ( 1.397 9.299 15.167) 17.845 18.470 ( 12.212 -8.560 -7.903) 16.878 18.589 ( 11.549 16.365 -8.460) 21.743 21.298 ( -0.201 -0.115 -0.058) 0.238 21.805 ( -0.759 -0.427 0.433) 0.972 =================== 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 3/20580 10.0 3785.193 3785.193 2960.698 0.000 -0.000 -0.000 3/20580 20.0 1334.881 1334.881 1157.667 0.000 -0.000 -0.000 3/20580 30.0 579.534 579.534 518.167 0.000 -0.000 -0.000 3/20580 40.0 265.658 265.658 241.329 0.000 -0.000 -0.000 3/20580 50.0 137.647 137.647 126.626 0.000 -0.000 -0.000 3/20580 60.0 81.430 81.430 75.626 0.000 -0.000 -0.000 3/20580 70.0 53.719 53.719 50.242 0.000 -0.000 -0.000 3/20580 80.0 38.497 38.497 36.193 0.000 -0.000 -0.000 3/20580 90.0 29.349 29.349 27.698 0.000 -0.000 -0.000 3/20580 100.0 23.440 23.440 22.182 0.000 -0.000 -0.000 3/20580 110.0 19.395 19.395 18.389 0.000 -0.000 -0.000 3/20580 120.0 16.493 16.493 15.660 0.000 -0.000 -0.000 3/20580 130.0 14.331 14.331 13.619 0.000 -0.000 -0.000 3/20580 140.0 12.669 12.669 12.047 0.000 -0.000 -0.000 3/20580 150.0 11.356 11.356 10.803 0.000 -0.000 -0.000 3/20580 160.0 10.297 10.297 9.797 0.000 -0.000 -0.000 3/20580 170.0 9.426 9.426 8.969 0.000 -0.000 -0.000 3/20580 180.0 8.697 8.697 8.275 0.000 -0.000 -0.000 3/20580 190.0 8.079 8.079 7.687 0.000 -0.000 -0.000 3/20580 200.0 7.548 7.548 7.181 0.000 -0.000 -0.000 3/20580 210.0 7.087 7.087 6.742 0.000 -0.000 -0.000 3/20580 220.0 6.683 6.683 6.356 0.000 -0.000 -0.000 3/20580 230.0 6.325 6.325 6.016 0.000 -0.000 -0.000 3/20580 240.0 6.007 6.007 5.712 0.000 -0.000 -0.000 3/20580 250.0 5.721 5.721 5.440 0.000 -0.000 -0.000 3/20580 260.0 5.463 5.463 5.194 0.000 -0.000 -0.000 3/20580 270.0 5.228 5.228 4.971 0.000 -0.000 -0.000 3/20580 280.0 5.015 5.015 4.767 0.000 -0.000 -0.000 3/20580 290.0 4.819 4.819 4.581 0.000 -0.000 -0.000 3/20580 300.0 4.639 4.639 4.409 0.000 -0.000 -0.000 3/20580 310.0 4.472 4.472 4.251 0.000 -0.000 -0.000 3/20580 320.0 4.318 4.318 4.104 0.000 -0.000 -0.000 3/20580 330.0 4.174 4.174 3.968 0.000 -0.000 -0.000 3/20580 340.0 4.041 4.041 3.840 0.000 -0.000 -0.000 3/20580 350.0 3.916 3.916 3.721 0.000 -0.000 -0.000 3/20580 360.0 3.798 3.798 3.610 0.000 -0.000 -0.000 3/20580 370.0 3.688 3.688 3.505 0.000 -0.000 -0.000 3/20580 380.0 3.585 3.585 3.407 0.000 -0.000 -0.000 3/20580 390.0 3.487 3.487 3.314 0.000 -0.000 -0.000 3/20580 400.0 3.395 3.395 3.226 0.000 -0.000 -0.000 3/20580 410.0 3.307 3.307 3.143 0.000 -0.000 -0.000 3/20580 420.0 3.224 3.224 3.064 0.000 -0.000 -0.000 3/20580 430.0 3.146 3.146 2.989 0.000 -0.000 -0.000 3/20580 440.0 3.071 3.071 2.918 0.000 -0.000 -0.000 3/20580 450.0 3.000 3.000 2.850 0.000 -0.000 -0.000 3/20580 460.0 2.932 2.932 2.786 0.000 -0.000 -0.000 3/20580 470.0 2.867 2.867 2.724 0.000 -0.000 -0.000 3/20580 480.0 2.805 2.805 2.665 0.000 -0.000 -0.000 3/20580 490.0 2.746 2.746 2.609 0.000 -0.000 -0.000 3/20580 500.0 2.689 2.689 2.555 0.000 -0.000 -0.000 3/20580 510.0 2.634 2.634 2.503 0.000 -0.000 -0.000 3/20580 520.0 2.582 2.582 2.454 0.000 -0.000 -0.000 3/20580 530.0 2.532 2.532 2.406 0.000 -0.000 -0.000 3/20580 540.0 2.484 2.484 2.360 0.000 -0.000 -0.000 3/20580 550.0 2.437 2.437 2.316 0.000 -0.000 -0.000 3/20580 560.0 2.393 2.393 2.274 0.000 -0.000 -0.000 3/20580 570.0 2.350 2.350 2.233 0.000 -0.000 -0.000 3/20580 580.0 2.308 2.308 2.194 0.000 -0.000 -0.000 3/20580 590.0 2.268 2.268 2.156 0.000 -0.000 -0.000 3/20580 600.0 2.230 2.230 2.119 0.000 -0.000 -0.000 3/20580 610.0 2.192 2.192 2.083 0.000 -0.000 -0.000 3/20580 620.0 2.156 2.156 2.049 0.000 -0.000 -0.000 3/20580 630.0 2.121 2.121 2.016 0.000 -0.000 -0.000 3/20580 640.0 2.088 2.088 1.984 0.000 -0.000 -0.000 3/20580 650.0 2.055 2.055 1.953 0.000 -0.000 -0.000 3/20580 660.0 2.023 2.023 1.923 0.000 -0.000 -0.000 3/20580 670.0 1.993 1.993 1.894 0.000 -0.000 -0.000 3/20580 680.0 1.963 1.963 1.865 0.000 -0.000 -0.000 3/20580 690.0 1.934 1.934 1.838 0.000 -0.000 -0.000 3/20580 700.0 1.906 1.906 1.811 0.000 -0.000 -0.000 3/20580 710.0 1.879 1.879 1.785 0.000 -0.000 -0.000 3/20580 720.0 1.852 1.852 1.760 0.000 -0.000 -0.000 3/20580 730.0 1.826 1.826 1.736 0.000 -0.000 -0.000 3/20580 740.0 1.801 1.801 1.712 0.000 -0.000 -0.000 3/20580 750.0 1.777 1.777 1.689 0.000 -0.000 -0.000 3/20580 760.0 1.753 1.753 1.666 0.000 -0.000 -0.000 3/20580 770.0 1.730 1.730 1.645 0.000 -0.000 -0.000 3/20580 780.0 1.708 1.708 1.623 0.000 -0.000 -0.000 3/20580 790.0 1.686 1.686 1.603 0.000 -0.000 -0.000 3/20580 800.0 1.665 1.665 1.582 0.000 -0.000 -0.000 3/20580 810.0 1.644 1.644 1.563 0.000 -0.000 -0.000 3/20580 820.0 1.624 1.624 1.543 0.000 -0.000 -0.000 3/20580 830.0 1.604 1.604 1.525 0.000 -0.000 -0.000 3/20580 840.0 1.585 1.585 1.506 0.000 -0.000 -0.000 3/20580 850.0 1.566 1.566 1.488 0.000 -0.000 -0.000 3/20580 860.0 1.548 1.548 1.471 0.000 -0.000 -0.000 3/20580 870.0 1.530 1.530 1.454 0.000 -0.000 -0.000 3/20580 880.0 1.512 1.512 1.437 0.000 -0.000 -0.000 3/20580 890.0 1.495 1.495 1.421 0.000 -0.000 -0.000 3/20580 900.0 1.478 1.478 1.405 0.000 -0.000 -0.000 3/20580 910.0 1.462 1.462 1.389 0.000 -0.000 -0.000 3/20580 920.0 1.446 1.446 1.374 0.000 -0.000 -0.000 3/20580 930.0 1.430 1.430 1.359 0.000 -0.000 -0.000 3/20580 940.0 1.415 1.415 1.345 0.000 -0.000 -0.000 3/20580 950.0 1.400 1.400 1.330 0.000 -0.000 -0.000 3/20580 960.0 1.385 1.385 1.317 0.000 -0.000 -0.000 3/20580 970.0 1.371 1.371 1.303 0.000 -0.000 -0.000 3/20580 980.0 1.357 1.357 1.289 0.000 -0.000 -0.000 3/20580 990.0 1.343 1.343 1.276 0.000 -0.000 -0.000 3/20580 1000.0 1.329 1.329 1.264 0.000 -0.000 -0.000 3/20580 Thermal conductivity related properties were written into "kappa-m777.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:28:20]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|