----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:51:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 2] 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: 36 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.712479515183619 2.143401047452230 2.458209959999997 b -3.712479515183613 2.143401047452230 2.458209959999997 c 0.000000000000004 -4.286802094904466 2.458209959999997 Atomic positions (fractional): *1 F 0.43201095787375 0.83288660674360 0.73841456115876 18.998 2 F 0.83288660674360 0.73841456115876 0.43201095787375 18.998 3 F 0.26158543884124 0.56798904212626 0.16711339325640 18.998 4 F 0.16711339325640 0.26158543884124 0.56798904212625 18.998 5 F 0.56798904212625 0.16711339325640 0.26158543884124 18.998 6 F 0.73841456115876 0.43201095787375 0.83288660674360 18.998 *7 Sn 0.50000000000000 0.50000000000000 0.50000000000000 118.710 *8 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.424959030367233 0.000000000000000 0.000000000000000 b -3.712479515183617 6.430203142356697 0.000000000000000 c 0.000000000000000 0.000000000000000 7.374629879999999 Atomic positions (fractional): *1 F 0.76424024928171 0.92935614743327 0.66777070859203 18.998 > 1 2 F 0.16511589815156 0.23575975071829 0.66777070859203 18.998 > 2 3 F 0.92935614743327 0.16511589815156 0.33222929140797 18.998 > 3 4 F 0.83488410184844 0.76424024928171 0.33222929140797 18.998 > 4 5 F 0.23575975071829 0.07064385256672 0.33222929140797 18.998 > 5 6 F 0.07064385256672 0.83488410184844 0.66777070859203 18.998 > 6 7 F 0.43090691594838 0.26268948076661 0.00110404192537 18.998 > 1 8 F 0.83178256481823 0.56909308405162 0.00110404192537 18.998 > 2 9 F 0.59602281409994 0.49844923148490 0.66556262474130 18.998 > 3 10 F 0.50155076851510 0.09757358261504 0.66556262474130 18.998 > 4 11 F 0.90242641738495 0.40397718590006 0.66556262474130 18.998 > 5 12 F 0.73731051923339 0.16821743518177 0.00110404192537 18.998 > 6 13 F 0.09757358261504 0.59602281409994 0.33443737525870 18.998 > 1 14 F 0.49844923148490 0.90242641738495 0.33443737525870 18.998 > 2 15 F 0.26268948076661 0.83178256481823 0.99889595807463 18.998 > 3 16 F 0.16821743518177 0.43090691594838 0.99889595807463 18.998 > 4 17 F 0.56909308405162 0.73731051923339 0.99889595807463 18.998 > 5 18 F 0.40397718590006 0.50155076851510 0.33443737525870 18.998 > 6 *19 Sn 0.00000000000000 0.00000000000000 0.50000000000000 118.710 > 7 20 Sn 0.66666666666667 0.33333333333333 0.83333333333333 118.710 > 7 21 Sn 0.33333333333333 0.66666666666667 0.16666666666667 118.710 > 7 *22 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 > 8 23 Ba 0.66666666666667 0.33333333333333 0.33333333333333 137.327 > 8 24 Ba 0.33333333333333 0.66666666666667 0.66666666666667 137.327 > 8 -------------------------------- super cell -------------------------------- Lattice vectors: a 7.424959030367233 0.000000000000000 0.000000000000000 b -3.712479515183617 6.430203142356697 0.000000000000000 c 0.000000000000000 0.000000000000000 14.749259759999997 Atomic positions (fractional): *1 F 0.76424024928171 0.92935614743327 0.33388535429602 18.998 > 1 2 F 0.76424024928171 0.92935614743327 0.83388535429602 18.998 > 1 3 F 0.16511589815156 0.23575975071829 0.33388535429602 18.998 > 2 4 F 0.16511589815156 0.23575975071829 0.83388535429602 18.998 > 2 5 F 0.92935614743327 0.16511589815156 0.16611464570398 18.998 > 3 6 F 0.92935614743327 0.16511589815156 0.66611464570398 18.998 > 3 7 F 0.83488410184844 0.76424024928171 0.16611464570398 18.998 > 4 8 F 0.83488410184844 0.76424024928171 0.66611464570398 18.998 > 4 9 F 0.23575975071829 0.07064385256672 0.16611464570398 18.998 > 5 10 F 0.23575975071829 0.07064385256672 0.66611464570398 18.998 > 5 11 F 0.07064385256672 0.83488410184844 0.33388535429602 18.998 > 6 12 F 0.07064385256672 0.83488410184844 0.83388535429602 18.998 > 6 13 F 0.43090691594838 0.26268948076661 0.00055202096268 18.998 > 1 14 F 0.43090691594838 0.26268948076661 0.50055202096268 18.998 > 1 15 F 0.83178256481823 0.56909308405162 0.00055202096268 18.998 > 2 16 F 0.83178256481823 0.56909308405162 0.50055202096268 18.998 > 2 17 F 0.59602281409994 0.49844923148490 0.33278131237065 18.998 > 3 18 F 0.59602281409994 0.49844923148490 0.83278131237065 18.998 > 3 19 F 0.50155076851510 0.09757358261504 0.33278131237065 18.998 > 4 20 F 0.50155076851510 0.09757358261504 0.83278131237065 18.998 > 4 21 F 0.90242641738495 0.40397718590006 0.33278131237065 18.998 > 5 22 F 0.90242641738495 0.40397718590006 0.83278131237065 18.998 > 5 23 F 0.73731051923339 0.16821743518177 0.00055202096268 18.998 > 6 24 F 0.73731051923339 0.16821743518177 0.50055202096268 18.998 > 6 25 F 0.09757358261504 0.59602281409994 0.16721868762935 18.998 > 1 26 F 0.09757358261504 0.59602281409994 0.66721868762935 18.998 > 1 27 F 0.49844923148490 0.90242641738495 0.16721868762935 18.998 > 2 28 F 0.49844923148490 0.90242641738495 0.66721868762935 18.998 > 2 29 F 0.26268948076661 0.83178256481823 0.49944797903732 18.998 > 3 30 F 0.26268948076661 0.83178256481823 0.99944797903732 18.998 > 3 31 F 0.16821743518177 0.43090691594838 0.49944797903732 18.998 > 4 32 F 0.16821743518177 0.43090691594838 0.99944797903732 18.998 > 4 33 F 0.56909308405162 0.73731051923339 0.49944797903732 18.998 > 5 34 F 0.56909308405162 0.73731051923339 0.99944797903732 18.998 > 5 35 F 0.40397718590006 0.50155076851510 0.16721868762935 18.998 > 6 36 F 0.40397718590006 0.50155076851510 0.66721868762935 18.998 > 6 *37 Sn 0.00000000000000 0.00000000000000 0.25000000000000 118.710 > 7 38 Sn 0.00000000000000 0.00000000000000 0.75000000000000 118.710 > 7 39 Sn 0.66666666666667 0.33333333333333 0.41666666666667 118.710 > 7 40 Sn 0.66666666666667 0.33333333333333 0.91666666666667 118.710 > 7 41 Sn 0.33333333333333 0.66666666666667 0.08333333333333 118.710 > 7 42 Sn 0.33333333333333 0.66666666666667 0.58333333333333 118.710 > 7 *43 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 > 8 44 Ba 0.00000000000000 0.00000000000000 0.50000000000000 137.327 > 8 45 Ba 0.66666666666667 0.33333333333333 0.16666666666667 137.327 > 8 46 Ba 0.66666666666667 0.33333333333333 0.66666666666667 137.327 > 8 47 Ba 0.33333333333333 0.66666666666667 0.33333333333333 137.327 > 8 48 Ba 0.33333333333333 0.66666666666667 0.83333333333333 137.327 > 8 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.4129344 0.0000004 0.0000000 -0.0000004 2.4129344 0.0000000 0.0000000 0.0000000 2.5236064 -------------------------- Born effective charges -------------------------- 1 F -1.2565131 -0.2397436 0.2031936 -0.2502325 -0.8413932 0.0542706 0.1702184 0.0647578 -1.0992034 2 F -0.7330073 -0.0520137 -0.0545971 -0.0625026 -1.3648990 -0.2031061 -0.0290273 -0.1797923 -1.0992034 3 F -1.1573390 0.3074907 -0.1485965 0.2970018 -0.9405672 0.1488356 -0.1411911 0.1150345 -1.0992034 4 F -0.7330073 -0.0520137 -0.0545971 -0.0625026 -1.3648990 -0.2031061 -0.0290273 -0.1797923 -1.0992034 5 F -1.2565131 -0.2397436 0.2031936 -0.2502325 -0.8413932 0.0542706 0.1702184 0.0647578 -1.0992034 6 F -1.1573390 0.3074907 -0.1485965 0.2970018 -0.9405672 0.1488356 -0.1411911 0.1150345 -1.0992034 7 Sn 3.5291184 -0.0965446 -0.0000000 0.0965446 3.5291184 -0.0000000 -0.0000000 -0.0000000 3.9048874 8 Ba 2.7646003 0.0650778 -0.0000000 -0.0650778 2.7646003 -0.0000000 -0.0000000 -0.0000000 2.6903328 ---------------------------------------------------------------------------- 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: 144/144 Permutation basis: 2436/2436 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 307 Number of blocks in projector: 158 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: 142 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 120 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 45 Use standard eigh solver. Tree of FC basis block matrices: - (307, 293), data: False |-- (45, 42), data: True |-- (120, 116), data: True |-- (142, 135), data: True ----- Solver_atoms: 1 -- 48 / 48 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 160 - Time: 0.153 Solver_block: 160 / 160 - Time: 0.105 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.292 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xz) 0.00000000 (xz) Permutation basis: 144/144 Permutation basis: 2436/2436 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 307 Number of blocks in projector: 158 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: 142 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 120 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 45 Use standard eigh solver. Tree of FC basis block matrices: - (307, 293), data: False |-- (45, 42), data: True |-- (120, 116), data: True |-- (142, 135), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zx) 0.00000000 (zx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 22:51:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:51:24]------------------------- 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 2] 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 3.712479515183619 2.143401047452230 2.458209959999997 b -3.712479515183613 2.143401047452230 2.458209959999997 c 0.000000000000004 -4.286802094904466 2.458209959999997 Atomic positions (fractional): 1 F 0.43201095787375 0.83288660674360 0.73841456115876 18.998 2 F 0.83288660674360 0.73841456115876 0.43201095787375 18.998 3 F 0.26158543884124 0.56798904212626 0.16711339325640 18.998 4 F 0.16711339325640 0.26158543884124 0.56798904212625 18.998 5 F 0.56798904212625 0.16711339325640 0.26158543884124 18.998 6 F 0.73841456115876 0.43201095787375 0.83288660674360 18.998 7 Sn 0.50000000000000 0.50000000000000 0.50000000000000 118.710 8 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.424959030367233 0.000000000000000 0.000000000000000 b -3.712479515183617 6.430203142356697 0.000000000000000 c 0.000000000000000 0.000000000000000 14.749259759999997 Atomic positions (fractional): 1 F 0.76424024928171 0.92935614743327 0.33388535429602 18.998 > 1 2 F 0.76424024928171 0.92935614743327 0.83388535429602 18.998 > 1 3 F 0.16511589815156 0.23575975071829 0.33388535429602 18.998 > 3 4 F 0.16511589815156 0.23575975071829 0.83388535429602 18.998 > 3 5 F 0.92935614743327 0.16511589815156 0.16611464570398 18.998 > 5 6 F 0.92935614743327 0.16511589815156 0.66611464570398 18.998 > 5 7 F 0.83488410184844 0.76424024928171 0.16611464570398 18.998 > 7 8 F 0.83488410184844 0.76424024928171 0.66611464570398 18.998 > 7 9 F 0.23575975071829 0.07064385256672 0.16611464570398 18.998 > 9 10 F 0.23575975071829 0.07064385256672 0.66611464570398 18.998 > 9 11 F 0.07064385256672 0.83488410184844 0.33388535429602 18.998 > 11 12 F 0.07064385256672 0.83488410184844 0.83388535429602 18.998 > 11 13 F 0.43090691594838 0.26268948076661 0.00055202096268 18.998 > 1 14 F 0.43090691594838 0.26268948076661 0.50055202096268 18.998 > 1 15 F 0.83178256481823 0.56909308405162 0.00055202096268 18.998 > 3 16 F 0.83178256481823 0.56909308405162 0.50055202096268 18.998 > 3 17 F 0.59602281409994 0.49844923148490 0.33278131237065 18.998 > 5 18 F 0.59602281409994 0.49844923148490 0.83278131237065 18.998 > 5 19 F 0.50155076851510 0.09757358261504 0.33278131237065 18.998 > 7 20 F 0.50155076851510 0.09757358261504 0.83278131237065 18.998 > 7 21 F 0.90242641738495 0.40397718590006 0.33278131237065 18.998 > 9 22 F 0.90242641738495 0.40397718590006 0.83278131237065 18.998 > 9 23 F 0.73731051923339 0.16821743518177 0.00055202096268 18.998 > 11 24 F 0.73731051923339 0.16821743518177 0.50055202096268 18.998 > 11 25 F 0.09757358261504 0.59602281409994 0.16721868762935 18.998 > 1 26 F 0.09757358261504 0.59602281409994 0.66721868762935 18.998 > 1 27 F 0.49844923148490 0.90242641738495 0.16721868762935 18.998 > 3 28 F 0.49844923148490 0.90242641738495 0.66721868762935 18.998 > 3 29 F 0.26268948076661 0.83178256481823 0.49944797903732 18.998 > 5 30 F 0.26268948076661 0.83178256481823 0.99944797903732 18.998 > 5 31 F 0.16821743518177 0.43090691594838 0.49944797903732 18.998 > 7 32 F 0.16821743518177 0.43090691594838 0.99944797903732 18.998 > 7 33 F 0.56909308405162 0.73731051923339 0.49944797903732 18.998 > 9 34 F 0.56909308405162 0.73731051923339 0.99944797903732 18.998 > 9 35 F 0.40397718590006 0.50155076851510 0.16721868762935 18.998 > 11 36 F 0.40397718590006 0.50155076851510 0.66721868762935 18.998 > 11 37 Sn 0.00000000000000 0.00000000000000 0.25000000000000 118.710 > 37 38 Sn 0.00000000000000 0.00000000000000 0.75000000000000 118.710 > 37 39 Sn 0.66666666666667 0.33333333333333 0.41666666666667 118.710 > 37 40 Sn 0.66666666666667 0.33333333333333 0.91666666666667 118.710 > 37 41 Sn 0.33333333333333 0.66666666666667 0.08333333333333 118.710 > 37 42 Sn 0.33333333333333 0.66666666666667 0.58333333333333 118.710 > 37 43 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 > 43 44 Ba 0.00000000000000 0.00000000000000 0.50000000000000 137.327 > 43 45 Ba 0.66666666666667 0.33333333333333 0.16666666666667 137.327 > 43 46 Ba 0.66666666666667 0.33333333333333 0.66666666666667 137.327 > 43 47 Ba 0.33333333333333 0.66666666666667 0.33333333333333 137.327 > 43 48 Ba 0.33333333333333 0.66666666666667 0.83333333333333 137.327 > 43 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.4129344 0.0000004 0.0000000 -0.0000004 2.4129344 0.0000000 0.0000000 0.0000000 2.5236064 -------------------------- Born effective charges -------------------------- 1 F -1.2565131 -0.2397436 0.2031936 -0.2502325 -0.8413932 0.0542706 0.1702184 0.0647578 -1.0992034 2 F -0.7330073 -0.0520137 -0.0545971 -0.0625026 -1.3648990 -0.2031061 -0.0290273 -0.1797923 -1.0992034 3 F -1.1573390 0.3074907 -0.1485965 0.2970018 -0.9405672 0.1488356 -0.1411911 0.1150345 -1.0992034 4 F -0.7330073 -0.0520137 -0.0545971 -0.0625026 -1.3648990 -0.2031061 -0.0290273 -0.1797923 -1.0992034 5 F -1.2565131 -0.2397436 0.2031936 -0.2502325 -0.8413932 0.0542706 0.1702184 0.0647578 -1.0992034 6 F -1.1573390 0.3074907 -0.1485965 0.2970018 -0.9405672 0.1488356 -0.1411911 0.1150345 -1.0992034 7 Sn 3.5291184 -0.0965446 -0.0000000 0.0965446 3.5291184 -0.0000000 -0.0000000 -0.0000000 3.9048874 8 Ba 2.7646003 0.0650778 -0.0000000 -0.0650778 2.7646003 -0.0000000 -0.0000000 -0.0000000 2.6903328 ---------------------------------------------------------------------------- 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[ 37, 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[ 43, 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: 0.00000001 (zxx) 0.00000001 (zxx) 0.00000001 (zxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xz) -0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:51:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:51:27]------------------------- 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 2] 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 3.712479515183619 2.143401047452230 2.458209959999997 b -3.712479515183613 2.143401047452230 2.458209959999997 c 0.000000000000004 -4.286802094904466 2.458209959999997 Atomic positions (fractional): 1 F 0.43201095787375 0.83288660674360 0.73841456115876 18.998 2 F 0.83288660674360 0.73841456115876 0.43201095787375 18.998 3 F 0.26158543884124 0.56798904212626 0.16711339325640 18.998 4 F 0.16711339325640 0.26158543884124 0.56798904212625 18.998 5 F 0.56798904212625 0.16711339325640 0.26158543884124 18.998 6 F 0.73841456115876 0.43201095787375 0.83288660674360 18.998 7 Sn 0.50000000000000 0.50000000000000 0.50000000000000 118.710 8 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.424959030367233 0.000000000000000 0.000000000000000 b -3.712479515183617 6.430203142356697 0.000000000000000 c 0.000000000000000 0.000000000000000 14.749259759999997 Atomic positions (fractional): 1 F 0.76424024928171 0.92935614743327 0.33388535429602 18.998 > 1 2 F 0.76424024928171 0.92935614743327 0.83388535429602 18.998 > 1 3 F 0.16511589815156 0.23575975071829 0.33388535429602 18.998 > 3 4 F 0.16511589815156 0.23575975071829 0.83388535429602 18.998 > 3 5 F 0.92935614743327 0.16511589815156 0.16611464570398 18.998 > 5 6 F 0.92935614743327 0.16511589815156 0.66611464570398 18.998 > 5 7 F 0.83488410184844 0.76424024928171 0.16611464570398 18.998 > 7 8 F 0.83488410184844 0.76424024928171 0.66611464570398 18.998 > 7 9 F 0.23575975071829 0.07064385256672 0.16611464570398 18.998 > 9 10 F 0.23575975071829 0.07064385256672 0.66611464570398 18.998 > 9 11 F 0.07064385256672 0.83488410184844 0.33388535429602 18.998 > 11 12 F 0.07064385256672 0.83488410184844 0.83388535429602 18.998 > 11 13 F 0.43090691594838 0.26268948076661 0.00055202096268 18.998 > 1 14 F 0.43090691594838 0.26268948076661 0.50055202096268 18.998 > 1 15 F 0.83178256481823 0.56909308405162 0.00055202096268 18.998 > 3 16 F 0.83178256481823 0.56909308405162 0.50055202096268 18.998 > 3 17 F 0.59602281409994 0.49844923148490 0.33278131237065 18.998 > 5 18 F 0.59602281409994 0.49844923148490 0.83278131237065 18.998 > 5 19 F 0.50155076851510 0.09757358261504 0.33278131237065 18.998 > 7 20 F 0.50155076851510 0.09757358261504 0.83278131237065 18.998 > 7 21 F 0.90242641738495 0.40397718590006 0.33278131237065 18.998 > 9 22 F 0.90242641738495 0.40397718590006 0.83278131237065 18.998 > 9 23 F 0.73731051923339 0.16821743518177 0.00055202096268 18.998 > 11 24 F 0.73731051923339 0.16821743518177 0.50055202096268 18.998 > 11 25 F 0.09757358261504 0.59602281409994 0.16721868762935 18.998 > 1 26 F 0.09757358261504 0.59602281409994 0.66721868762935 18.998 > 1 27 F 0.49844923148490 0.90242641738495 0.16721868762935 18.998 > 3 28 F 0.49844923148490 0.90242641738495 0.66721868762935 18.998 > 3 29 F 0.26268948076661 0.83178256481823 0.49944797903732 18.998 > 5 30 F 0.26268948076661 0.83178256481823 0.99944797903732 18.998 > 5 31 F 0.16821743518177 0.43090691594838 0.49944797903732 18.998 > 7 32 F 0.16821743518177 0.43090691594838 0.99944797903732 18.998 > 7 33 F 0.56909308405162 0.73731051923339 0.49944797903732 18.998 > 9 34 F 0.56909308405162 0.73731051923339 0.99944797903732 18.998 > 9 35 F 0.40397718590006 0.50155076851510 0.16721868762935 18.998 > 11 36 F 0.40397718590006 0.50155076851510 0.66721868762935 18.998 > 11 37 Sn 0.00000000000000 0.00000000000000 0.25000000000000 118.710 > 37 38 Sn 0.00000000000000 0.00000000000000 0.75000000000000 118.710 > 37 39 Sn 0.66666666666667 0.33333333333333 0.41666666666667 118.710 > 37 40 Sn 0.66666666666667 0.33333333333333 0.91666666666667 118.710 > 37 41 Sn 0.33333333333333 0.66666666666667 0.08333333333333 118.710 > 37 42 Sn 0.33333333333333 0.66666666666667 0.58333333333333 118.710 > 37 43 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 > 43 44 Ba 0.00000000000000 0.00000000000000 0.50000000000000 137.327 > 43 45 Ba 0.66666666666667 0.33333333333333 0.16666666666667 137.327 > 43 46 Ba 0.66666666666667 0.33333333333333 0.66666666666667 137.327 > 43 47 Ba 0.33333333333333 0.66666666666667 0.33333333333333 137.327 > 43 48 Ba 0.33333333333333 0.66666666666667 0.83333333333333 137.327 > 43 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.4129344 0.0000004 0.0000000 -0.0000004 2.4129344 0.0000000 0.0000000 0.0000000 2.5236064 -------------------------- Born effective charges -------------------------- 1 F -1.2565131 -0.2397436 0.2031936 -0.2502325 -0.8413932 0.0542706 0.1702184 0.0647578 -1.0992034 2 F -0.7330073 -0.0520137 -0.0545971 -0.0625026 -1.3648990 -0.2031061 -0.0290273 -0.1797923 -1.0992034 3 F -1.1573390 0.3074907 -0.1485965 0.2970018 -0.9405672 0.1488356 -0.1411911 0.1150345 -1.0992034 4 F -0.7330073 -0.0520137 -0.0545971 -0.0625026 -1.3648990 -0.2031061 -0.0290273 -0.1797923 -1.0992034 5 F -1.2565131 -0.2397436 0.2031936 -0.2502325 -0.8413932 0.0542706 0.1702184 0.0647578 -1.0992034 6 F -1.1573390 0.3074907 -0.1485965 0.2970018 -0.9405672 0.1488356 -0.1411911 0.1150345 -1.0992034 7 Sn 3.5291184 -0.0965446 -0.0000000 0.0965446 3.5291184 -0.0000000 -0.0000000 -0.0000000 3.9048874 8 Ba 2.7646003 0.0650778 -0.0000000 -0.0650778 2.7646003 -0.0000000 -0.0000000 -0.0000000 2.6903328 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (zxx) 0.00000001 (zxx) 0.00000001 (zxx) Max drift of fc2: 0.00000000 (zx) 0.00000000 (zx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 10 10 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.85, Number of G-points: 299, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/172) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 172 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 2.654 ( 0.000 0.000 0.000) 0.000 2.771 ( 0.000 0.000 0.000) 0.000 2.771 ( 0.000 0.000 0.000) 0.000 3.214 ( 0.000 0.000 0.000) 0.000 4.209 ( 0.000 0.000 0.000) 0.000 4.209 ( 0.000 0.000 0.000) 0.000 5.498 ( 0.000 0.000 0.000) 0.000 5.498 ( 0.000 0.000 0.000) 0.000 5.528 ( 0.000 0.000 0.000) 0.000 6.272 ( 0.000 0.000 0.000) 0.000 6.272 ( 0.000 0.000 0.000) 0.000 7.188 ( 0.000 0.000 0.000) 0.000 7.616 ( 0.000 0.000 0.000) 0.000 7.782 ( 0.000 0.000 0.000) 0.000 7.782 ( 0.000 0.000 0.000) 0.000 13.922 ( 0.000 0.000 0.000) 0.000 13.922 ( 0.000 0.000 0.000) 0.000 15.434 ( 0.000 0.000 0.000) 0.000 15.434 ( 0.000 0.000 0.000) 0.000 16.065 ( 0.000 0.000 0.000) 0.000 16.662 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/172) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.428 ( 11.315 23.682 6.711) 27.091 0.536 ( 18.822 3.663 18.323) 26.522 0.739 ( 18.414 6.597 31.381) 36.978 2.690 ( 0.688 0.503 0.809) 1.175 2.767 ( 2.220 0.972 -0.282) 2.440 2.936 ( 7.601 5.033 -13.925) 16.644 4.065 ( -5.283 -7.323 -8.102) 12.131 4.130 ( -20.521 -1.477 15.141) 25.544 4.216 ( 0.295 -6.413 3.126) 7.140 5.486 ( -4.542 -1.749 -0.903) 4.950 5.545 ( 3.159 -5.382 4.712) 7.820 5.707 ( 0.177 5.396 -2.878) 6.118 6.264 ( -1.781 -0.256 0.812) 1.974 6.745 ( 31.036 18.834 -41.239) 54.942 7.208 ( 2.577 1.297 -0.727) 2.975 7.766 ( -2.372 -0.704 0.478) 2.520 7.807 ( 2.945 0.486 0.428) 3.016 8.660 ( -31.151 -17.819 40.606) 54.192 13.859 ( -2.278 0.508 -6.701) 7.096 13.922 ( -0.411 0.536 0.211) 0.708 15.474 ( 1.081 -0.778 4.896) 5.074 15.755 ( 16.552 9.885 -22.550) 29.668 16.650 ( -0.362 -0.219 -1.219) 1.291 17.315 ( -9.645 -6.762 13.423) 17.859 ======================= Grid point 2 (3/172) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( 11.575 23.193 6.376) 26.694 1.055 ( 18.569 3.432 16.684) 25.198 1.436 ( 15.917 7.197 28.946) 33.808 2.633 ( -5.109 -2.770 -1.260) 5.947 2.820 ( 1.943 0.003 -6.488) 6.772 2.936 ( 6.033 3.886 1.847) 7.411 3.757 ( -7.838 -5.641 -14.361) 17.306 4.035 ( -11.816 -2.900 4.707) 13.046 4.199 ( 3.819 -2.253 -4.269) 6.155 5.343 ( -9.921 -4.514 -1.467) 10.998 5.573 ( -0.185 -6.211 2.793) 6.813 5.766 ( 0.295 4.536 4.595) 6.463 6.248 ( -2.371 -0.711 1.694) 2.999 6.757 ( 16.620 11.631 -21.815) 29.789 7.249 ( 4.520 1.513 -2.037) 5.183 7.721 ( -4.780 -1.341 1.135) 5.092 7.875 ( 4.797 0.933 0.730) 4.941 8.647 ( -14.982 -8.299 18.202) 24.993 13.709 ( -3.394 0.724 -9.609) 10.217 13.925 ( -0.598 0.914 0.399) 1.163 15.566 ( 1.521 -1.275 6.552) 6.846 15.747 ( 7.345 4.965 -10.700) 13.895 16.618 ( -0.656 -0.433 -1.851) 2.011 17.313 ( -4.482 -4.513 6.865) 9.359 ======================= Grid point 3 (4/172) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( 11.417 21.382 5.853) 24.935 1.536 ( 17.906 3.286 14.032) 22.986 2.049 ( 11.324 7.655 24.560) 28.107 2.504 ( -6.077 -4.570 -1.231) 7.703 2.701 ( -3.632 -1.782 -6.052) 7.280 3.058 ( 2.556 -1.328 -2.082) 3.554 3.466 ( -2.096 -0.751 -9.132) 9.400 3.881 ( -8.218 -6.613 -2.042) 10.744 4.183 ( 4.229 1.455 -5.214) 6.870 5.134 ( -12.009 -4.956 -1.181) 13.045 5.541 ( -2.567 -3.731 1.532) 4.780 5.869 ( 0.869 1.763 4.952) 5.328 6.238 ( -1.775 -1.178 2.080) 2.977 6.781 ( 10.774 8.843 -13.770) 19.593 7.294 ( 5.981 1.167 -3.326) 6.943 7.650 ( -6.790 -1.772 1.969) 7.289 7.962 ( 5.100 1.196 0.732) 5.289 8.621 ( -9.227 -4.853 9.580) 14.158 13.542 ( -3.176 0.647 -8.606) 9.196 13.931 ( -0.510 0.975 0.478) 1.200 15.657 ( 1.671 -1.479 4.762) 5.259 15.743 ( 3.486 3.281 -5.295) 7.138 16.580 ( -0.752 -0.526 -1.727) 1.956 17.310 ( -2.459 -3.346 4.054) 5.803 ======================= Grid point 4 (5/172) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( 10.361 17.110 4.841) 20.580 1.959 ( 15.778 3.395 10.110) 19.044 2.264 ( -8.001 -5.758 0.867) 9.896 2.532 ( -5.502 -1.887 -0.041) 5.817 2.637 ( 8.946 4.509 9.720) 13.959 2.888 ( -7.430 -2.417 -4.744) 9.141 3.418 ( 1.795 -3.586 -8.182) 9.112 3.716 ( -2.162 -2.695 -1.107) 3.628 4.191 ( 2.931 1.730 -2.930) 4.491 4.939 ( -9.052 -3.309 -0.767) 9.669 5.499 ( -2.227 -1.874 0.681) 2.989 5.941 ( 0.453 0.553 2.849) 2.937 6.237 ( -0.826 -0.971 1.468) 1.944 6.806 ( 5.612 5.132 -7.034) 10.359 7.339 ( 6.115 0.923 -3.424) 7.068 7.572 ( -6.826 -1.632 2.399) 7.417 8.039 ( 3.533 0.953 0.419) 3.683 8.588 ( -5.032 -2.523 4.270) 7.065 13.416 ( -1.895 0.374 -4.963) 5.325 13.938 ( -0.270 0.635 0.340) 0.769 15.704 ( 1.690 -0.574 0.017) 1.785 15.756 ( 0.767 1.356 0.177) 1.568 16.548 ( -0.518 -0.371 -1.018) 1.201 17.306 ( -1.127 -1.845 1.928) 2.897 ======================= Grid point 5 (6/172) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.876 ( -0.000 -0.000 -0.000) 0.000 2.072 ( 0.000 0.000 0.000) 0.000 2.337 ( -0.000 -0.000 -0.000) 0.000 2.346 ( 0.000 0.000 0.000) 0.000 2.661 ( 0.000 0.000 0.000) 0.000 3.046 ( -0.000 -0.000 -0.000) 0.000 3.203 ( 0.000 0.000 0.000) 0.000 3.723 ( 0.000 0.000 0.000) 0.000 4.200 ( 0.000 0.000 0.000) 0.000 4.853 ( 0.000 0.000 0.000) 0.000 5.480 ( 0.000 0.000 0.000) 0.000 5.965 ( 0.000 0.000 0.000) 0.000 6.238 ( 0.000 0.000 0.000) 0.000 6.816 ( 0.000 0.000 0.000) 0.000 7.366 ( 0.000 0.000 0.000) 0.000 7.529 ( 0.000 0.000 0.000) 0.000 8.072 ( 0.000 -0.000 0.000) 0.000 8.571 ( 0.000 0.000 0.000) 0.000 13.370 ( 0.000 0.000 0.000) 0.000 13.941 ( 0.000 0.000 0.000) 0.000 15.711 ( 0.000 0.000 0.000) 0.000 15.770 ( 0.000 0.000 0.000) 0.000 16.536 ( 0.000 0.000 0.000) 0.000 17.304 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 12 (7/172) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.503 ( 10.921 11.701 12.095) 20.061 0.781 ( -5.765 25.473 12.847) 29.107 1.247 ( -0.104 4.912 40.322) 40.621 2.723 ( 2.110 1.608 0.435) 2.689 2.792 ( -5.807 1.077 -1.098) 6.008 2.846 ( 3.807 4.824 2.785) 6.747 3.914 ( -2.202 -7.808 -12.785) 15.141 4.044 ( 4.420 -4.133 -8.420) 10.369 4.301 ( -2.903 -11.444 -3.488) 12.311 5.464 ( 0.294 -5.907 -1.372) 6.072 5.583 ( -4.573 -0.848 4.576) 6.524 5.747 ( 3.463 7.843 2.446) 8.915 6.244 ( 2.414 -2.662 -0.150) 3.597 6.441 ( -0.871 18.387 -10.475) 21.180 7.194 ( -0.299 2.362 -1.248) 2.688 7.781 ( 1.195 -0.830 0.513) 1.543 7.813 ( -1.306 3.129 0.612) 3.446 8.969 ( 0.032 -20.942 10.398) 23.382 13.821 ( 0.499 4.421 -8.844) 9.900 13.845 ( 1.285 3.621 -7.131) 8.100 15.529 ( -1.697 -1.283 7.193) 7.501 15.628 ( 0.913 8.103 -0.902) 8.204 16.626 ( -0.035 -0.090 -2.194) 2.196 17.400 ( -0.729 -9.514 3.727) 10.244 ======================= Grid point 13 (8/172) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( 19.468 13.072 10.146) 25.550 1.102 ( 1.062 22.443 10.888) 24.967 1.834 ( 4.399 5.231 34.938) 35.600 2.661 ( -3.073 -4.687 -4.123) 6.957 2.791 ( -3.413 1.164 3.435) 4.980 2.970 ( 1.409 5.768 4.292) 7.326 3.620 ( -5.785 -5.161 -13.059) 15.187 3.955 ( 6.299 -10.656 -10.733) 16.383 4.086 ( -2.824 -0.382 -8.925) 9.369 5.370 ( -3.054 -7.133 -2.644) 8.197 5.583 ( -3.005 -4.604 3.867) 6.721 5.842 ( 0.692 2.550 3.239) 4.180 6.278 ( 0.969 -2.482 2.127) 3.410 6.485 ( 7.946 14.742 -9.581) 19.294 7.195 ( 1.193 1.744 -1.908) 2.847 7.789 ( -2.364 -0.154 1.889) 3.030 7.848 ( 2.083 2.957 0.512) 3.653 8.885 ( -7.587 -11.393 6.140) 15.002 13.658 ( -5.665 4.626 -10.030) 12.413 13.864 ( 6.264 5.554 -7.391) 11.168 15.620 ( 0.120 -1.865 8.130) 8.342 15.692 ( 0.928 2.457 1.749) 3.156 16.592 ( -0.224 -0.093 -2.322) 2.335 17.350 ( -1.013 -8.461 1.948) 8.741 ======================= Grid point 14 (9/172) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.433 ( 4.013 21.965 7.559) 23.574 1.475 ( 19.508 9.232 10.280) 23.905 2.368 ( 4.749 6.111 26.248) 27.365 2.504 ( -3.931 -7.705 -3.830) 9.460 2.738 ( -8.995 -0.287 1.104) 9.067 3.047 ( -2.608 0.968 0.830) 2.903 3.385 ( -2.925 0.952 -8.180) 8.740 3.742 ( 2.622 -11.879 -11.329) 16.623 4.033 ( 6.511 2.200 -7.104) 9.885 5.201 ( -7.257 -7.360 -3.068) 10.782 5.533 ( -2.085 -6.453 0.804) 6.829 5.910 ( 1.964 0.594 1.998) 2.864 6.271 ( -1.999 -2.255 1.341) 3.299 6.611 ( 8.908 13.204 -5.460) 16.837 7.201 ( 2.555 0.617 -2.090) 3.358 7.767 ( -5.860 -0.102 3.267) 6.710 7.920 ( 4.201 2.421 0.388) 4.864 8.775 ( -7.338 -6.296 2.712) 10.042 13.499 ( -4.354 4.101 -8.002) 9.990 13.888 ( 4.569 5.571 -6.301) 9.571 15.704 ( -1.543 -1.157 7.239) 7.491 15.739 ( 0.483 -0.081 2.438) 2.487 16.559 ( -0.287 -0.081 -1.837) 1.861 17.301 ( 0.934 -7.438 0.090) 7.497 ======================= Grid point 15 (10/172) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( 5.981 12.985 6.076) 15.534 1.930 ( 15.527 12.120 8.927) 21.626 2.294 ( -6.994 -9.404 -3.559) 12.248 2.603 ( -10.385 1.717 -1.913) 10.698 2.701 ( -0.345 -0.475 3.470) 3.520 3.021 ( -2.539 2.925 11.456) 12.093 3.247 ( -0.505 -4.662 -11.197) 12.140 3.649 ( 4.678 -1.239 -1.610) 5.100 4.063 ( 8.209 -0.011 -4.761) 9.489 4.999 ( -7.706 -6.409 -3.028) 10.470 5.463 ( 0.301 -6.179 -1.603) 6.391 5.949 ( 1.561 0.121 -0.364) 1.608 6.240 ( -0.955 -2.638 0.088) 2.807 6.766 ( 4.880 11.586 0.000) 12.571 7.222 ( 4.355 0.071 -1.907) 4.755 7.720 ( -8.265 -0.941 4.531) 9.472 7.999 ( 4.265 1.765 0.099) 4.617 8.664 ( -5.620 -3.135 -0.744) 6.478 13.400 ( -2.252 3.384 -3.932) 5.655 13.902 ( 3.060 5.086 -5.325) 7.974 15.756 ( -1.847 -0.710 4.032) 4.491 15.770 ( -1.232 -1.213 4.470) 4.793 16.536 ( -0.060 0.071 -1.004) 1.008 17.262 ( 2.729 -5.905 -1.810) 6.752 ======================= Grid point 16 (11/172) ======================= q-point: (-0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.887 ( -3.397 -6.056 1.052) 7.023 2.106 ( -1.096 3.763 1.091) 4.068 2.299 ( 3.864 5.077 -6.783) 9.312 2.383 ( -5.936 2.651 -1.375) 6.645 2.692 ( 1.767 2.302 4.591) 5.432 2.945 ( -8.730 -9.143 -8.330) 15.139 3.343 ( 5.377 7.752 12.605) 15.744 3.689 ( 1.870 0.093 -2.016) 2.751 4.119 ( 7.720 -1.920 -1.973) 8.197 4.846 ( -2.313 -3.504 -2.299) 4.787 5.413 ( 3.181 -4.622 -2.669) 6.213 5.942 ( 0.533 0.097 -2.881) 2.932 6.211 ( 0.655 -2.819 -0.874) 3.023 6.911 ( -1.093 7.741 6.222) 9.992 7.274 ( 6.670 1.384 -2.067) 7.118 7.655 ( -9.270 -2.280 5.338) 10.938 8.055 ( 2.403 0.853 -0.272) 2.565 8.558 ( -2.697 -0.510 -4.287) 5.091 13.389 ( 0.217 2.727 0.844) 2.863 13.905 ( 1.830 4.429 -4.468) 6.552 15.744 ( -0.431 -1.065 -1.836) 2.165 15.819 ( -4.345 -1.429 9.157) 10.236 16.534 ( 0.489 0.332 -0.037) 0.592 17.232 ( 4.111 -3.959 -3.816) 6.866 ======================= Grid point 17 (12/172) ======================= q-point: (-0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.628 ( -13.717 -15.244 -2.524) 20.662 1.908 ( -10.079 -2.042 -23.836) 25.960 2.256 ( 0.892 6.913 4.389) 8.237 2.474 ( -3.015 -0.314 -2.577) 3.979 2.673 ( -6.365 -2.783 1.602) 7.129 2.955 ( 8.156 8.607 11.902) 16.801 3.579 ( -3.858 3.158 5.959) 7.770 3.632 ( 6.354 -1.482 -5.124) 8.296 4.175 ( 5.185 -3.062 -0.088) 6.022 4.852 ( 7.211 1.557 -0.471) 7.393 5.411 ( 5.882 -2.419 -2.591) 6.868 5.888 ( -0.495 -0.065 -5.108) 5.132 6.191 ( 1.794 -2.746 -1.354) 3.549 7.022 ( -6.788 1.819 12.666) 14.485 7.360 ( 6.280 4.305 -2.223) 7.932 7.587 ( -7.261 -3.637 4.976) 9.524 8.063 ( -1.172 0.139 -0.457) 1.266 8.468 ( 1.395 1.598 -8.534) 8.794 13.468 ( 2.579 2.176 4.914) 5.961 13.902 ( 0.821 3.981 -3.350) 5.268 15.683 ( -0.469 -1.219 -4.789) 4.964 15.878 ( -5.841 -1.857 11.622) 13.140 16.553 ( 1.110 0.513 0.776) 1.448 17.205 ( 5.223 -2.133 -6.146) 8.343 ======================= Grid point 18 (13/172) ======================= q-point: (-0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( -17.327 -14.028 -1.992) 22.382 1.403 ( -9.920 -3.026 -27.136) 29.051 2.038 ( -24.162 -4.345 -7.012) 25.531 2.512 ( 3.945 6.569 3.297) 8.342 2.771 ( 3.597 -0.435 9.980) 10.618 3.181 ( -6.799 3.334 3.354) 8.282 3.563 ( 4.964 2.078 7.234) 9.016 3.721 ( 9.942 -0.638 -6.338) 11.808 4.206 ( 3.444 -2.830 -0.681) 4.509 5.026 ( 12.351 4.837 1.415) 13.339 5.460 ( 7.000 0.174 -1.808) 7.232 5.791 ( -1.382 -0.898 -6.541) 6.746 6.181 ( 2.574 -2.646 -1.187) 3.878 7.115 ( -10.102 -2.830 19.308) 21.974 7.402 ( -3.523 2.508 0.146) 4.327 7.574 ( 2.828 -0.784 1.220) 3.178 8.019 ( -4.567 0.229 -0.208) 4.577 8.375 ( 5.015 2.393 -14.722) 15.736 13.612 ( 4.409 1.543 6.603) 8.088 13.903 ( -0.261 4.034 -1.412) 4.282 15.588 ( -0.413 -1.445 -6.488) 6.660 15.950 ( -7.220 -1.950 14.365) 16.195 16.588 ( 1.493 0.458 1.045) 1.879 17.169 ( 6.273 -0.989 -8.935) 10.962 ======================= Grid point 19 (14/172) ======================= q-point: (-0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.869 ( -12.825 -1.124 -23.770) 27.032 0.916 ( -19.494 -10.507 -0.446) 22.150 1.528 ( -31.321 -3.899 -7.054) 32.342 2.640 ( 3.228 4.201 1.451) 5.494 2.981 ( -1.698 -0.256 13.501) 13.610 3.025 ( -9.551 -0.758 1.642) 9.720 3.699 ( 12.601 -3.247 -16.797) 21.248 3.870 ( 9.354 5.262 11.762) 15.922 4.204 ( 2.857 -2.057 -3.031) 4.645 5.252 ( 11.829 3.127 1.790) 12.365 5.546 ( 5.248 4.881 -1.382) 7.299 5.670 ( -0.951 -3.520 -5.146) 6.307 6.189 ( 3.239 -2.333 -0.442) 4.016 7.259 ( -10.149 -4.181 27.005) 29.151 7.341 ( -6.917 -1.280 3.096) 7.685 7.647 ( 5.713 3.389 -2.096) 6.965 7.949 ( -6.271 0.662 0.658) 6.340 8.206 ( 6.178 1.411 -25.437) 26.214 13.766 ( 5.298 0.348 4.418) 6.907 13.923 ( -1.616 4.241 1.475) 4.772 15.486 ( -0.175 -1.429 -5.622) 5.803 16.046 ( -7.622 -1.206 16.306) 18.040 16.623 ( 1.552 0.232 0.467) 1.637 17.112 ( 6.829 -0.847 -11.526) 13.424 ======================= Grid point 20 (15/172) ======================= q-point: (-0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.447 ( -16.227 -1.527 0.228) 16.301 0.638 ( -23.149 1.676 8.165) 24.604 0.971 ( -35.362 -0.367 -4.684) 35.673 2.695 ( 1.376 -0.096 -0.323) 1.416 2.843 ( -9.117 -0.074 0.089) 9.118 3.215 ( -0.109 0.169 1.351) 1.366 3.622 ( 10.620 -0.016 -1.038) 10.671 4.107 ( 7.322 -1.167 -0.701) 7.447 4.192 ( 1.683 1.114 0.427) 2.063 5.413 ( 8.247 -1.183 0.842) 8.374 5.528 ( -1.734 1.443 -4.479) 5.015 5.696 ( 4.745 0.641 2.650) 5.473 6.222 ( 3.336 -1.063 0.582) 3.550 7.256 ( -4.673 0.070 -0.320) 4.684 7.607 ( 0.169 -2.074 12.778) 12.946 7.681 ( 2.633 7.027 -3.925) 8.468 7.804 ( -1.274 -7.526 -18.256) 19.788 7.931 ( -6.835 2.695 10.250) 12.611 13.871 ( 3.702 -0.852 2.816) 4.728 13.942 ( -1.522 0.888 -0.489) 1.828 15.431 ( 0.165 0.010 -0.850) 0.866 16.122 ( -4.100 0.009 0.410) 4.121 16.645 ( 1.219 0.001 0.048) 1.220 17.060 ( 4.469 -0.045 -1.656) 4.766 ======================= Grid point 22 (16/172) ======================= q-point: ( 0.10 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.737 ( -8.125 8.114 11.043) 15.931 1.244 ( -9.604 22.203 11.556) 26.810 1.820 ( -3.831 4.300 33.894) 34.380 2.649 ( 2.934 -4.003 -2.596) 5.601 2.828 ( 4.897 -0.688 1.358) 5.128 2.956 ( -3.865 8.431 5.466) 10.766 3.628 ( 6.728 -5.110 -14.763) 17.009 3.901 ( -5.279 -8.819 -6.805) 12.327 4.159 ( -0.029 -0.590 -10.927) 10.943 5.351 ( 4.357 -8.426 -2.396) 9.784 5.666 ( -0.521 -2.265 1.327) 2.676 5.805 ( 1.746 3.967 5.951) 7.362 6.201 ( -1.695 -5.030 -1.298) 5.464 6.503 ( -6.047 12.611 -6.651) 15.487 7.213 ( -2.071 3.402 -1.805) 4.373 7.749 ( 2.726 -2.379 0.717) 3.688 7.886 ( -2.337 4.855 1.470) 5.586 8.883 ( 7.728 -11.623 6.200) 15.273 13.647 ( 6.974 4.012 -8.568) 11.753 13.834 ( -5.940 3.127 -7.412) 9.999 15.653 ( -2.136 -0.620 6.238) 6.622 15.674 ( 0.536 2.352 2.834) 3.722 16.594 ( 0.173 -0.009 -2.276) 2.282 17.369 ( 0.214 -7.041 1.424) 7.187 ======================= Grid point 23 (17/172) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( 10.594 12.053 12.030) 20.056 1.453 ( -5.424 22.545 8.473) 24.688 2.265 ( 1.617 3.226 27.860) 28.092 2.578 ( -0.824 -6.724 -2.602) 7.257 2.901 ( 0.322 -1.146 3.801) 3.983 3.090 ( -0.920 8.345 6.172) 10.420 3.463 ( 1.058 -3.302 -10.626) 11.178 3.660 ( -1.421 -9.869 -12.714) 16.157 3.951 ( -1.611 0.839 -12.700) 12.830 5.267 ( 0.730 -10.734 -3.524) 11.321 5.642 ( -2.991 -3.444 1.313) 4.747 5.877 ( -0.789 -0.186 0.879) 1.196 6.224 ( 7.680 -1.840 2.089) 8.169 6.475 ( -2.685 11.828 -3.942) 12.754 7.194 ( -1.321 2.274 -0.849) 2.763 7.787 ( 3.217 -1.073 1.016) 3.540 7.917 ( -2.933 5.020 2.327) 6.263 8.891 ( 0.113 -8.968 0.805) 9.005 13.650 ( -5.721 5.997 -9.264) 12.430 13.701 ( 7.377 7.131 -8.048) 13.040 15.718 ( 0.572 -0.979 4.130) 4.283 15.758 ( -0.969 -0.905 8.993) 9.090 16.565 ( -0.134 0.290 -2.099) 2.123 17.295 ( -0.878 -9.663 -0.884) 9.743 ======================= Grid point 24 (18/172) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( 15.744 10.068 10.904) 21.636 1.675 ( -0.379 20.990 5.133) 21.612 2.419 ( -1.778 -8.285 -3.612) 9.212 2.671 ( 0.764 2.099 17.213) 17.357 2.894 ( -7.242 -0.511 3.730) 8.162 3.157 ( -4.345 2.541 4.066) 6.470 3.278 ( -5.019 -4.978 -16.067) 17.553 3.478 ( 7.278 -0.337 -3.080) 7.910 3.856 ( 5.513 0.720 -7.313) 9.186 5.119 ( -0.972 -11.838 -4.804) 12.812 5.542 ( -5.653 -5.746 -1.399) 8.181 5.879 ( 2.723 -1.274 -1.030) 3.178 6.298 ( -1.003 -2.566 1.883) 3.337 6.556 ( 7.452 13.265 -2.097) 15.359 7.192 ( -1.134 0.879 1.339) 1.963 7.840 ( 2.316 -0.897 1.897) 3.126 7.944 ( -3.270 4.888 2.326) 6.324 8.799 ( -3.195 -5.683 -2.221) 6.887 13.495 ( -4.903 5.308 -7.583) 10.475 13.772 ( 6.485 9.110 -6.199) 12.786 15.753 ( 0.393 -2.195 2.034) 3.018 15.860 ( -2.797 -0.887 10.246) 10.658 16.540 ( -0.196 0.407 -1.603) 1.665 17.195 ( 1.435 -10.229 -2.544) 10.637 ======================= Grid point 25 (19/172) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.805 ( 6.576 5.314 6.603) 10.727 1.949 ( 12.728 15.617 2.778) 20.338 2.266 ( -5.688 -4.808 -1.821) 7.667 2.724 ( -3.981 -3.036 1.028) 5.111 2.730 ( -12.748 -3.163 -12.111) 17.866 3.092 ( -0.332 0.085 -2.274) 2.300 3.241 ( 0.041 2.345 12.082) 12.308 3.588 ( 4.950 4.879 0.910) 7.009 3.877 ( 8.384 -0.959 -3.817) 9.262 4.935 ( -1.977 -11.369 -5.496) 12.782 5.399 ( -3.097 -6.016 -3.242) 7.503 5.889 ( 3.382 -1.164 -2.561) 4.400 6.249 ( -3.726 -2.415 0.002) 4.440 6.773 ( 10.239 12.189 0.387) 15.924 7.215 ( -1.622 -0.406 4.518) 4.817 7.866 ( -3.345 -1.578 3.656) 5.201 7.979 ( 0.226 4.096 0.927) 4.206 8.667 ( -4.060 -2.953 -4.818) 6.959 13.407 ( -1.756 4.293 -4.115) 6.201 13.841 ( 3.177 9.427 -3.929) 10.696 15.747 ( 0.010 -2.831 -0.593) 2.892 15.946 ( -4.291 -0.817 10.632) 11.495 16.525 ( 0.124 0.383 -0.922) 1.006 17.111 ( 4.123 -8.990 -4.192) 10.742 ======================= Grid point 26 (20/172) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.859 ( -1.197 -6.503 -5.418) 8.549 2.146 ( -8.679 -2.033 -13.318) 16.026 2.169 ( 6.313 4.858 2.348) 8.304 2.472 ( -1.371 5.184 1.825) 5.664 2.753 ( 4.371 4.073 5.595) 8.185 2.996 ( -11.764 -0.984 0.421) 11.812 3.422 ( 4.629 -0.039 4.055) 6.154 3.684 ( 0.726 5.072 1.861) 5.452 3.957 ( 9.058 -1.151 -1.043) 9.190 4.766 ( 0.429 -8.464 -5.029) 9.855 5.298 ( 1.386 -4.517 -3.385) 5.812 5.875 ( 2.055 -0.560 -4.133) 4.650 6.179 ( -2.085 -3.747 -0.647) 4.337 7.012 ( 9.700 11.719 1.078) 15.251 7.265 ( -2.853 -1.630 8.405) 9.025 7.825 ( -7.667 -2.813 4.128) 9.151 8.029 ( 1.905 2.684 -0.073) 3.292 8.519 ( -3.650 -0.589 -7.156) 8.054 13.404 ( 1.787 2.959 -0.584) 3.506 13.898 ( -0.170 9.248 -1.238) 9.332 15.692 ( -0.275 -3.190 -3.735) 4.919 16.028 ( -4.843 -0.978 11.773) 12.768 16.526 ( 0.805 0.300 -0.158) 0.874 17.048 ( 5.854 -6.705 -6.309) 10.910 ======================= Grid point 27 (21/172) ======================= q-point: (-0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( -5.152 -6.703 -18.598) 20.430 1.747 ( -16.138 -6.892 -7.095) 18.928 2.366 ( 4.715 8.324 5.633) 11.102 2.539 ( -2.528 -0.485 3.440) 4.296 2.798 ( -13.223 -1.902 1.144) 13.408 3.063 ( 12.228 11.043 9.918) 19.231 3.442 ( 3.285 -3.479 -5.985) 7.663 3.712 ( -4.166 0.624 1.213) 4.384 4.047 ( 6.723 -1.966 -0.553) 7.026 4.730 ( 8.721 -1.916 -2.208) 9.199 5.282 ( 5.133 -1.632 -1.876) 5.704 5.821 ( -0.187 0.229 -5.512) 5.520 6.124 ( 0.637 -5.346 -0.656) 5.423 7.235 ( 9.388 10.589 -0.566) 14.162 7.343 ( -5.338 -2.070 13.642) 14.795 7.733 ( -8.894 -4.763 3.284) 10.610 8.059 ( 0.983 1.469 -1.151) 2.109 8.367 ( -3.125 1.200 -9.060) 9.659 13.478 ( 4.955 1.455 1.841) 5.482 13.950 ( -2.752 8.718 1.614) 9.284 15.595 ( -0.196 -3.245 -5.937) 6.769 16.123 ( -5.258 -0.822 13.352) 14.373 16.545 ( 1.532 0.123 0.331) 1.572 16.986 ( 6.821 -4.492 -9.163) 12.275 ======================= Grid point 28 (22/172) ======================= q-point: (-0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( -9.856 -3.372 -18.570) 21.292 1.445 ( -18.475 -4.584 1.994) 19.140 2.311 ( -24.886 -1.256 -1.239) 24.949 2.550 ( 2.626 4.874 1.058) 5.636 2.852 ( 7.820 -0.498 11.844) 14.201 3.324 ( -1.546 -3.874 -7.861) 8.899 3.395 ( 6.253 7.487 1.234) 9.833 3.660 ( 2.504 -1.503 1.080) 3.114 4.085 ( 4.710 -3.045 -1.767) 5.881 4.888 ( 14.323 1.570 0.563) 14.420 5.359 ( 7.039 2.316 0.632) 7.437 5.726 ( -2.215 0.295 -6.084) 6.482 6.098 ( 2.996 -5.997 -0.101) 6.704 7.389 ( 5.782 5.356 -1.318) 7.991 7.479 ( -5.190 2.580 16.512) 17.500 7.613 ( -6.878 -6.441 2.079) 9.649 8.034 ( 0.153 -0.309 -5.581) 5.591 8.208 ( -4.706 2.064 -7.741) 9.291 13.598 ( 6.658 -0.035 3.041) 7.319 14.000 ( -3.791 6.823 2.832) 8.303 15.489 ( -0.032 -2.422 -5.607) 6.108 16.230 ( -6.002 -0.056 13.518) 14.790 16.573 ( 2.015 -0.135 0.007) 2.019 16.914 ( 7.615 -2.812 -11.109) 13.759 ======================= Grid point 29 (23/172) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.857 ( -13.800 -1.348 0.716) 13.884 1.230 ( -20.423 2.019 6.921) 21.658 1.883 ( -31.829 -0.476 -2.451) 31.926 2.608 ( 4.083 -0.760 -1.135) 4.305 3.149 ( -7.246 -1.395 -1.497) 7.529 3.206 ( 7.688 3.799 15.958) 18.116 3.291 ( 2.425 -2.742 -16.705) 17.101 3.840 ( 11.735 0.145 -0.230) 11.738 4.113 ( 3.742 0.403 1.200) 3.950 5.099 ( 14.185 -1.494 0.739) 14.283 5.509 ( 6.106 6.553 0.981) 9.010 5.619 ( -2.224 -0.976 -2.572) 3.538 6.112 ( 4.494 -4.714 0.915) 6.577 7.409 ( -5.134 3.148 -2.323) 6.455 7.561 ( 2.891 -1.319 -0.871) 3.295 7.663 ( -1.181 0.527 12.580) 12.646 7.859 ( -3.243 -3.038 -12.596) 13.357 8.114 ( -6.278 1.493 3.859) 7.519 13.732 ( 6.311 -1.265 4.449) 7.824 14.005 ( -3.174 1.471 -1.088) 3.664 15.427 ( 0.083 0.096 -1.368) 1.374 16.270 ( -6.515 0.079 1.224) 6.630 16.600 ( 2.041 0.034 0.336) 2.069 16.891 ( 7.829 -0.343 -3.111) 8.432 ======================= Grid point 30 (24/172) ======================= q-point: (-0.10 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.846 ( -12.572 1.694 21.851) 25.266 1.115 ( -21.427 2.730 12.500) 24.956 1.442 ( -32.055 7.234 2.326) 32.944 2.624 ( 4.406 -4.014 -1.807) 6.228 2.998 ( -11.890 1.606 -2.630) 12.283 3.023 ( 0.262 -1.548 -13.999) 14.087 3.657 ( 15.668 4.459 14.178) 21.596 3.875 ( 8.914 -5.701 -7.898) 13.203 4.210 ( 1.817 2.654 1.328) 3.480 5.254 ( 11.964 -4.921 0.029) 12.937 5.516 ( -0.559 2.523 -2.437) 3.552 5.707 ( 2.959 1.268 5.789) 6.623 6.173 ( 4.956 -1.352 2.027) 5.523 7.293 ( -8.257 1.039 -14.721) 16.911 7.345 ( -9.822 5.723 -17.234) 20.646 7.675 ( 4.990 -7.040 2.411) 8.960 7.868 ( -2.603 2.488 5.142) 6.277 8.242 ( 3.597 -2.107 21.850) 22.244 13.862 ( 4.341 -2.190 5.355) 7.233 13.889 ( -2.189 -5.158 -7.948) 9.725 15.463 ( 0.355 2.694 4.182) 4.987 16.055 ( -8.169 0.855 -16.318) 18.268 16.625 ( 1.385 -0.303 -0.543) 1.518 17.071 ( 8.298 2.460 10.195) 13.373 ======================= Grid point 32 (25/172) ======================= q-point: ( 0.10 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( -15.721 5.568 9.427) 19.158 1.680 ( -10.205 18.841 9.123) 23.288 2.300 ( -3.871 0.479 21.844) 22.189 2.553 ( 2.385 -3.748 2.788) 5.245 2.720 ( 8.728 -1.499 -1.388) 8.964 3.091 ( 4.605 4.099 -1.304) 6.301 3.368 ( 0.085 0.958 -6.301) 6.374 3.795 ( -2.535 -8.299 -8.917) 12.442 4.052 ( -5.012 2.574 -9.020) 10.635 5.164 ( 7.325 -9.423 -2.588) 12.213 5.624 ( 4.607 -2.939 1.175) 5.590 5.893 ( -1.277 1.232 3.173) 3.635 6.169 ( -4.164 -5.988 -2.952) 7.868 6.614 ( -6.321 10.916 -2.767) 12.914 7.249 ( -2.652 4.516 -2.177) 5.671 7.693 ( 3.879 -4.589 1.558) 6.207 7.982 ( -1.972 5.447 2.079) 6.155 8.769 ( 7.430 -6.763 2.773) 10.423 13.496 ( 5.420 3.817 -5.351) 8.520 13.842 ( -6.141 2.684 -6.901) 9.620 15.702 ( 0.392 -0.017 2.512) 2.542 15.754 ( 0.730 -0.183 6.212) 6.257 16.562 ( 0.374 0.026 -1.790) 1.828 17.327 ( -0.652 -5.849 -0.761) 5.935 ======================= Grid point 33 (26/172) ======================= q-point: ( 0.20 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( -0.576 10.994 11.732) 16.088 1.793 ( -7.729 17.529 4.456) 19.668 2.411 ( 1.761 -6.708 0.139) 6.937 2.695 ( -2.343 0.535 17.886) 18.046 2.809 ( 9.266 -2.914 -1.141) 9.780 3.217 ( 10.420 5.214 -0.628) 11.668 3.307 ( -3.104 1.595 -3.254) 4.772 3.510 ( -9.177 -5.844 -10.247) 14.946 3.868 ( -6.045 1.571 -7.253) 9.572 5.101 ( 2.588 -12.049 -4.165) 13.009 5.627 ( 0.414 -4.042 -1.198) 4.236 5.889 ( -3.342 -1.841 -2.356) 4.484 6.128 ( 7.715 -2.102 1.822) 8.201 6.598 ( -6.768 10.662 -0.655) 12.646 7.236 ( -1.804 2.805 0.805) 3.431 7.738 ( 4.187 -2.461 1.366) 5.045 8.035 ( -2.371 5.635 3.154) 6.879 8.794 ( 3.555 -5.947 -2.263) 7.289 13.579 ( 7.007 8.616 -3.108) 11.532 13.663 ( -7.168 4.998 -8.975) 12.526 15.741 ( 0.519 -2.428 2.673) 3.648 15.875 ( 1.634 -0.301 8.966) 9.119 16.543 ( 0.034 0.421 -1.578) 1.634 17.210 ( -2.262 -9.868 -3.340) 10.661 ======================= Grid point 34 (27/172) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.511 ( 8.769 11.266 10.532) 17.741 1.860 ( -2.598 10.705 -1.124) 11.073 2.356 ( -1.167 -2.336 -1.423) 2.974 2.751 ( 2.165 -8.395 -1.319) 8.770 2.967 ( 2.566 0.268 -5.288) 5.884 3.085 ( -7.118 -2.887 -0.411) 7.692 3.367 ( -7.435 3.446 4.605) 9.400 3.412 ( 8.749 6.842 1.757) 11.244 3.763 ( -1.440 1.838 -2.308) 3.283 4.949 ( 0.259 -13.660 -5.600) 14.766 5.526 ( -4.162 -6.448 -4.059) 8.682 5.807 ( 1.210 -1.701 -3.336) 3.935 6.277 ( 7.145 -2.067 3.213) 8.102 6.587 ( -2.871 10.866 -1.564) 11.347 7.270 ( -1.753 1.663 5.217) 5.749 7.801 ( 4.303 -1.001 1.222) 4.583 8.080 ( -3.896 4.987 3.431) 7.199 8.725 ( 0.334 -4.195 -5.542) 6.959 13.495 ( -4.809 4.691 -8.006) 10.451 13.727 ( 5.133 11.670 -0.277) 12.752 15.745 ( 0.209 -3.584 0.492) 3.624 16.011 ( -0.147 -0.166 9.298) 9.301 16.527 ( -0.172 0.586 -1.280) 1.418 17.052 ( -0.224 -11.476 -4.277) 12.249 ======================= Grid point 35 (28/172) ======================= q-point: ( 0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.823 ( 2.043 0.550 -2.269) 3.102 1.863 ( 11.033 7.281 0.606) 13.232 2.339 ( -3.449 3.327 0.940) 4.883 2.587 ( -4.114 -4.382 -13.889) 15.134 2.731 ( -1.840 -4.333 -2.202) 5.197 3.203 ( -3.023 5.423 6.166) 8.750 3.383 ( -2.616 0.183 5.039) 5.681 3.588 ( 5.866 4.503 2.630) 7.848 3.790 ( 2.230 4.336 1.711) 5.167 4.760 ( 0.186 -13.806 -6.397) 15.217 5.347 ( -4.056 -6.189 -5.214) 9.053 5.788 ( 3.470 -1.673 -3.176) 4.993 6.299 ( -4.560 -2.002 0.897) 5.060 6.704 ( 9.847 8.847 -0.569) 13.249 7.353 ( -2.622 1.263 9.421) 9.860 7.863 ( 3.300 -0.957 1.122) 3.614 8.096 ( -5.253 3.902 2.814) 7.123 8.600 ( -1.558 -2.256 -7.590) 8.070 13.395 ( -1.438 3.591 -5.066) 6.374 13.882 ( 1.756 12.597 2.120) 12.895 15.700 ( -0.243 -4.547 -2.566) 5.227 16.118 ( -1.667 -0.146 8.770) 8.928 16.515 ( 0.025 0.337 -0.785) 0.855 16.924 ( 2.761 -10.100 -4.656) 11.459 ======================= Grid point 36 (29/172) ======================= q-point: (-0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.652 ( 0.168 -4.967 -16.017) 16.770 2.109 ( -0.672 1.255 -0.305) 1.456 2.154 ( 0.290 -2.793 -1.769) 3.319 2.549 ( -0.916 5.067 1.514) 5.367 2.755 ( 8.392 3.817 2.404) 9.527 3.194 ( -11.165 2.933 2.468) 11.805 3.407 ( -0.183 -1.309 1.109) 1.725 3.692 ( 4.110 -0.843 0.292) 4.206 3.927 ( 2.646 8.110 4.781) 9.779 4.585 ( 2.384 -11.670 -6.098) 13.381 5.214 ( -0.176 -3.400 -3.655) 4.995 5.775 ( 3.074 -1.898 -3.380) 4.947 6.203 ( -6.287 -2.280 -0.694) 6.724 6.919 ( 12.760 6.409 -0.186) 14.280 7.469 ( -3.455 1.162 12.165) 12.699 7.890 ( -0.712 -2.382 1.271) 2.792 8.077 ( -4.233 2.707 0.268) 5.032 8.455 ( -2.521 -0.195 -7.719) 8.123 13.376 ( 2.189 1.999 -1.766) 3.451 14.020 ( -1.821 11.806 3.910) 12.569 15.602 ( -0.338 -4.982 -5.288) 7.273 16.215 ( -1.467 -0.076 9.217) 9.334 16.514 ( 0.680 -0.136 -0.076) 0.698 16.834 ( 4.031 -7.022 -6.256) 10.232 ======================= Grid point 37 (30/172) ======================= q-point: (-0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.370 ( -4.259 -3.725 -14.071) 15.166 1.882 ( -13.508 -3.175 0.246) 13.879 2.386 ( 11.446 5.945 4.066) 13.524 2.548 ( 1.356 -3.931 -0.073) 4.159 2.995 ( 5.186 6.182 -0.633) 8.094 3.038 ( -9.541 -0.150 1.833) 9.716 3.413 ( -0.353 1.812 2.574) 3.168 3.686 ( 0.611 -3.530 -3.889) 5.288 4.040 ( -1.543 2.601 2.663) 4.030 4.539 ( 10.314 -3.934 -2.248) 11.266 5.204 ( 4.114 0.906 -0.272) 4.221 5.746 ( 1.316 -1.359 -3.597) 4.064 6.095 ( -3.923 -3.898 -1.070) 5.633 7.127 ( 12.008 4.567 -0.195) 12.849 7.599 ( -3.147 1.098 11.784) 12.246 7.825 ( -6.947 -3.743 0.488) 7.906 8.036 ( -1.115 1.143 -3.479) 3.829 8.332 ( -3.700 1.278 -4.578) 6.024 13.433 ( 5.125 0.345 1.388) 5.320 14.112 ( -4.108 8.386 3.355) 9.923 15.489 ( -0.020 -3.534 -5.269) 6.344 16.337 ( -1.028 0.893 10.866) 10.951 16.526 ( 1.195 -0.729 0.216) 1.416 16.740 ( 4.341 -4.210 -9.650) 11.388 ======================= Grid point 38 (31/172) ======================= q-point: (-0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( -8.551 -0.947 1.050) 8.667 1.717 ( -15.374 1.999 4.855) 16.246 2.488 ( 0.315 -3.515 -1.432) 3.808 2.617 ( -5.378 2.894 -0.217) 6.111 2.814 ( 0.903 -1.287 -0.379) 1.618 3.124 ( 5.759 -1.531 -3.095) 6.715 3.547 ( -4.789 5.317 3.215) 7.846 3.550 ( 4.537 -3.109 -4.426) 7.060 4.041 ( 0.332 -0.701 0.833) 1.139 4.703 ( 14.210 -0.085 1.210) 14.262 5.325 ( 6.682 5.402 2.988) 9.098 5.690 ( -1.621 -0.172 -3.337) 3.714 6.024 ( 0.505 -5.444 -0.112) 5.469 7.304 ( 9.978 3.300 -0.135) 10.510 7.665 ( -5.917 -5.572 -0.058) 8.128 7.703 ( -3.012 2.613 -0.113) 3.989 7.972 ( -4.503 -0.267 0.846) 4.589 8.256 ( -4.231 0.812 0.201) 4.312 13.550 ( 6.737 -1.129 4.330) 8.087 14.110 ( -4.417 1.508 -1.564) 4.922 15.427 ( -0.064 0.311 -1.267) 1.306 16.449 ( -6.155 0.495 3.604) 7.150 16.537 ( 2.797 0.105 0.858) 2.928 16.665 ( 7.970 -1.145 -5.540) 9.774 ======================= Grid point 39 (32/172) ======================= q-point: (-0.20 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.168 ( -10.530 1.468 17.217) 20.235 1.632 ( -16.752 5.381 10.064) 20.270 2.276 ( -27.066 0.428 -0.480) 27.073 2.491 ( 3.809 -4.865 -3.921) 7.318 2.901 ( 10.137 -0.337 -11.657) 15.452 3.180 ( 6.214 -2.729 -1.571) 6.966 3.408 ( -4.475 1.638 5.647) 7.389 3.657 ( 5.524 0.089 -4.480) 7.113 4.112 ( 4.555 2.890 2.875) 6.113 4.901 ( 13.356 -2.782 1.420) 13.716 5.496 ( 4.277 6.107 -0.221) 7.459 5.646 ( -0.751 1.113 3.088) 3.367 6.031 ( 4.618 -3.906 1.676) 6.276 7.430 ( 3.292 4.013 -2.976) 5.983 7.504 ( -2.956 -1.111 -6.026) 6.803 7.585 ( -3.146 -4.883 -9.356) 11.012 7.984 ( -6.191 1.617 8.339) 10.511 8.251 ( -2.028 -1.413 7.112) 7.529 13.706 ( 6.835 -2.294 6.680) 9.829 13.969 ( -3.664 -5.693 -8.179) 10.617 15.461 ( -0.196 3.605 3.700) 5.169 16.258 ( -6.768 -0.465 -13.317) 14.945 16.582 ( 1.689 -0.114 -0.180) 1.703 16.841 ( 8.523 3.586 9.268) 13.092 ======================= Grid point 40 (33/172) ======================= q-point: (-0.10 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.317 ( -10.683 5.692 18.936) 22.475 1.572 ( -21.127 -0.747 11.519) 24.075 1.973 ( -24.159 8.400 9.113) 27.153 2.474 ( 6.668 -5.249 -3.306) 9.107 2.802 ( 2.454 -1.245 -11.228) 11.561 3.107 ( -2.216 -0.160 -4.346) 4.881 3.560 ( 3.267 -0.422 -4.168) 5.312 3.689 ( 12.665 0.306 3.180) 13.061 4.213 ( 1.994 3.107 -0.372) 3.710 5.047 ( 11.657 -6.161 0.374) 13.190 5.504 ( 0.410 1.704 -1.816) 2.524 5.779 ( 2.047 1.741 7.348) 7.824 6.129 ( 6.139 0.448 3.237) 6.954 7.174 ( -10.983 0.030 -18.651) 21.645 7.384 ( -6.518 3.988 -4.794) 9.021 7.578 ( 7.014 -5.180 2.504) 9.072 7.988 ( -5.327 2.409 1.807) 6.119 8.397 ( 4.319 -3.383 13.467) 14.542 13.734 ( -2.299 -7.620 -10.829) 13.439 13.862 ( 4.725 -2.800 6.444) 8.466 15.557 ( 0.089 3.659 5.650) 6.732 15.962 ( -7.753 1.292 -14.314) 16.329 16.589 ( 1.375 -0.550 -1.223) 1.921 17.119 ( 7.797 3.727 9.209) 12.629 ======================= Grid point 42 (34/172) ======================= q-point: ( 0.10 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.481 ( -16.944 4.188 8.478) 19.404 2.041 ( -9.171 13.030 4.468) 16.549 2.330 ( 4.549 -4.963 -0.095) 6.734 2.563 ( 8.260 -0.838 -2.812) 8.765 2.791 ( 0.406 5.328 11.859) 13.008 2.888 ( 4.980 -5.983 1.223) 7.879 3.363 ( 2.492 3.168 -9.438) 10.262 3.668 ( -3.258 -1.898 -3.365) 5.054 4.076 ( -7.797 0.699 -3.687) 8.653 4.964 ( 6.528 -7.878 -2.055) 10.436 5.552 ( 4.319 -2.790 0.960) 5.231 5.934 ( -1.412 -0.167 -0.400) 1.477 6.139 ( -5.604 -5.900 -4.337) 9.221 6.763 ( -4.315 9.747 2.018) 10.849 7.296 ( -2.955 5.802 -2.252) 6.890 7.620 ( 4.592 -6.828 2.822) 8.699 8.070 ( -0.415 4.697 2.310) 5.250 8.654 ( 5.419 -3.729 -0.846) 6.632 13.425 ( 4.021 4.736 -0.424) 6.227 13.853 ( -6.022 2.542 -6.653) 9.327 15.724 ( 0.714 -1.755 2.573) 3.196 15.807 ( 2.547 0.239 5.217) 5.810 16.539 ( 0.208 0.130 -1.006) 1.035 17.276 ( -2.022 -5.310 -2.886) 6.373 ======================= Grid point 43 (35/172) ======================= q-point: ( 0.20 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( -7.881 8.897 11.134) 16.286 2.003 ( -6.757 4.599 -3.738) 8.988 2.346 ( 1.196 0.787 -0.385) 1.483 2.615 ( 5.969 -2.158 -2.917) 6.985 2.939 ( 6.682 -3.840 -4.149) 8.753 3.031 ( 3.061 3.967 12.957) 13.892 3.265 ( 2.874 -0.306 -7.953) 8.462 3.578 ( -6.988 3.554 0.728) 7.873 3.923 ( -8.640 0.360 -1.939) 8.863 4.914 ( 2.703 -10.963 -4.086) 12.008 5.561 ( 1.010 -4.050 -1.741) 4.523 5.867 ( -3.953 -2.806 -5.488) 7.322 6.042 ( 4.988 -2.272 0.912) 5.556 6.795 ( -8.518 10.423 1.986) 13.607 7.302 ( -0.929 2.821 2.743) 4.043 7.678 ( 4.878 -3.907 2.475) 6.721 8.143 ( -0.672 5.110 3.205) 6.070 8.651 ( 4.461 -3.573 -5.216) 7.737 13.563 ( 4.472 9.082 1.944) 10.308 13.680 ( -6.434 4.868 -7.717) 11.164 15.733 ( 0.664 -3.598 0.390) 3.680 15.959 ( 3.587 0.114 9.249) 9.921 16.529 ( -0.035 0.444 -0.975) 1.072 17.115 ( -3.760 -9.344 -5.560) 11.505 ======================= Grid point 44 (36/172) ======================= q-point: ( 0.30 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.674 ( 0.392 9.168 9.324) 13.082 1.858 ( -3.325 -0.805 -8.635) 9.288 2.361 ( 0.880 2.367 -0.990) 2.712 2.597 ( 1.918 -0.622 -7.872) 8.127 2.803 ( -1.603 -6.911 -8.069) 10.744 3.220 ( 0.486 0.382 9.448) 9.468 3.374 ( 9.640 6.100 3.041) 11.806 3.536 ( -6.701 4.010 1.456) 7.944 3.835 ( -5.008 3.136 1.628) 6.129 4.764 ( -0.303 -13.205 -5.727) 14.397 5.456 ( -3.257 -7.079 -5.110) 9.318 5.737 ( -0.482 -0.813 -4.682) 4.776 6.180 ( 10.480 -1.139 2.874) 10.926 6.745 ( -10.274 8.369 -0.379) 13.256 7.391 ( -0.181 1.463 8.492) 8.619 7.753 ( 4.612 -1.243 1.928) 5.151 8.203 ( -2.327 4.371 2.874) 5.726 8.582 ( 2.804 -2.809 -8.191) 9.102 13.489 ( -5.436 3.946 -7.588) 10.134 13.798 ( 4.195 12.612 5.516) 14.390 15.696 ( 0.584 -5.070 -2.160) 5.542 16.121 ( 1.348 0.437 8.548) 8.665 16.518 ( -0.173 0.544 -0.968) 1.124 16.915 ( -2.016 -10.671 -5.351) 12.106 ======================= Grid point 45 (37/172) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( 0.091 -4.172 -13.819) 14.435 1.899 ( 3.757 7.110 6.022) 10.047 2.327 ( -2.456 -5.824 -5.671) 8.492 2.511 ( 3.301 7.877 -3.564) 9.254 2.693 ( -3.013 -3.688 -0.180) 4.766 3.330 ( 0.131 1.389 4.692) 4.895 3.473 ( -4.096 2.666 -0.133) 4.889 3.580 ( 4.493 1.378 3.936) 6.130 3.889 ( -0.429 8.657 4.672) 9.847 4.567 ( -0.720 -13.676 -6.153) 15.014 5.270 ( -3.440 -6.429 -5.811) 9.324 5.699 ( 1.991 -0.525 -2.839) 3.507 6.319 ( 3.927 -1.659 2.027) 4.721 6.690 ( -2.098 6.222 -0.892) 6.627 7.529 ( -1.008 0.965 10.812) 10.902 7.832 ( 3.677 0.102 2.225) 4.299 8.212 ( -4.322 2.496 0.386) 5.006 8.475 ( 1.326 -1.376 -8.431) 8.645 13.377 ( -2.381 2.722 -4.721) 5.947 14.024 ( 1.651 12.758 6.534) 14.429 15.608 ( 0.075 -6.271 -4.787) 7.890 16.227 ( -0.223 0.426 5.946) 5.966 16.507 ( -0.073 0.194 -0.670) 0.702 16.773 ( 0.733 -8.306 -3.407) 9.008 ======================= Grid point 46 (38/172) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( -0.502 -3.501 -11.492) 12.024 2.064 ( 7.535 1.789 0.715) 7.777 2.163 ( -5.723 -1.448 -1.210) 6.026 2.606 ( -4.373 -2.470 -1.512) 5.245 2.678 ( 10.311 5.857 2.014) 12.028 3.356 ( -4.646 1.162 1.478) 5.012 3.443 ( -2.893 1.745 1.009) 3.526 3.647 ( 1.272 -1.571 0.666) 2.128 4.051 ( 1.296 10.202 5.159) 11.505 4.385 ( 1.373 -11.758 -5.402) 13.013 5.148 ( 0.012 -2.271 -2.712) 3.537 5.688 ( 2.076 -1.617 -1.823) 3.201 6.281 ( -7.516 -0.979 -0.604) 7.603 6.794 ( 10.595 3.001 0.461) 11.021 7.652 ( -1.020 0.625 7.690) 7.783 7.913 ( 0.464 0.156 5.067) 5.090 8.122 ( -4.604 -0.026 -5.522) 7.190 8.391 ( -0.554 0.518 -4.061) 4.132 13.344 ( 1.192 1.067 -1.096) 1.939 14.194 ( -1.487 9.129 4.714) 10.381 15.491 ( -0.061 -4.943 -4.951) 6.996 16.304 ( 1.692 0.347 4.317) 4.650 16.505 ( 0.505 -0.294 0.036) 0.585 16.693 ( 0.224 -4.345 -3.186) 5.393 ======================= Grid point 47 (39/172) ======================= q-point: (-0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( -2.392 -0.612 0.971) 2.653 2.030 ( -6.731 0.530 1.152) 6.849 2.268 ( 12.001 2.178 0.556) 12.210 2.492 ( -2.260 -4.736 -3.349) 6.226 2.876 ( 10.411 1.583 0.265) 10.534 3.250 ( -13.166 -0.225 0.011) 13.168 3.455 ( -0.053 2.514 0.536) 2.571 3.634 ( -0.114 -1.527 -0.424) 1.589 4.103 ( -3.174 -2.125 -1.532) 4.115 4.383 ( 8.765 2.185 1.839) 9.219 5.175 ( 4.075 3.122 1.926) 5.483 5.679 ( 1.516 -2.362 -0.792) 2.916 6.141 ( -8.402 -1.242 -1.817) 8.686 6.982 ( 13.031 0.483 0.816) 13.065 7.704 ( -0.267 0.823 0.102) 0.871 7.884 ( -6.504 -2.091 -5.580) 8.821 8.064 ( -1.828 0.671 7.049) 7.313 8.343 ( -2.207 0.431 -1.456) 2.679 13.394 ( 4.393 -0.633 2.621) 5.154 14.225 ( -3.699 0.944 -1.304) 4.034 15.429 ( -0.053 0.424 -0.652) 0.780 16.405 ( 5.781 0.291 1.743) 6.045 16.518 ( 1.366 -0.527 0.646) 1.601 16.608 ( -3.378 -0.370 -2.810) 4.409 ======================= Grid point 48 (40/172) ======================= q-point: (-0.30 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( -4.597 2.253 14.116) 15.015 1.989 ( -8.755 4.178 5.535) 11.169 2.341 ( 5.241 -8.974 -5.999) 11.999 2.499 ( 10.178 4.038 -1.268) 11.022 2.968 ( 5.969 -2.687 -2.725) 7.091 3.014 ( -17.727 -2.064 -0.673) 17.860 3.447 ( 0.751 -0.464 -3.690) 3.794 3.651 ( -0.495 2.087 2.015) 2.943 4.029 ( 0.823 -1.729 -1.288) 2.308 4.582 ( 9.445 3.912 3.674) 10.864 5.336 ( 6.171 6.799 4.353) 10.162 5.675 ( 0.338 -1.461 0.871) 1.734 6.012 ( -4.630 -2.050 -1.252) 5.216 7.161 ( 12.590 -2.357 0.768) 12.831 7.641 ( -2.322 1.682 -11.514) 11.866 7.689 ( -5.885 -2.326 -3.183) 7.084 8.160 ( -5.673 1.100 10.979) 12.407 8.300 ( -1.503 -1.279 0.360) 2.006 13.518 ( 6.626 -2.083 5.911) 9.120 14.080 ( -4.295 -6.866 -7.862) 11.287 15.473 ( -0.624 4.795 3.850) 6.181 16.376 ( -0.609 -1.828 -11.250) 11.414 16.537 ( 1.722 -0.223 -0.659) 1.857 16.664 ( 2.851 5.221 9.606) 11.298 ======================= Grid point 49 (41/172) ======================= q-point: (-0.20 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( -6.439 5.117 17.168) 19.036 2.003 ( -9.612 2.355 10.267) 14.260 2.263 ( 4.639 -7.752 -4.854) 10.256 2.560 ( -2.597 1.207 -5.424) 6.133 2.766 ( -12.066 1.801 0.658) 12.217 2.972 ( 7.570 -6.158 -6.291) 11.611 3.433 ( 5.319 0.774 -2.809) 6.065 3.642 ( -4.242 0.701 0.334) 4.313 4.091 ( 6.033 2.495 1.167) 6.632 4.768 ( 8.348 0.536 2.785) 8.817 5.487 ( 2.290 4.327 -0.140) 4.897 5.724 ( 1.164 2.439 6.141) 6.709 5.983 ( 2.728 -0.948 1.567) 3.286 7.270 ( 7.799 -7.434 -4.464) 11.662 7.442 ( -2.121 0.246 -6.986) 7.305 7.567 ( -6.157 2.819 -4.939) 8.381 8.162 ( -7.070 0.972 1.681) 7.332 8.348 ( 0.318 -2.199 9.031) 9.300 13.688 ( 7.169 -3.079 7.289) 10.677 13.827 ( -3.894 -9.643 -9.930) 14.379 15.566 ( -0.764 5.025 4.977) 7.114 16.147 ( -5.462 -0.101 -13.720) 14.768 16.549 ( 1.497 -0.557 -0.488) 1.670 16.918 ( 6.602 6.350 9.959) 13.531 ======================= Grid point 50 (42/172) ======================= q-point: (-0.10 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( -8.416 8.054 10.775) 15.868 1.988 ( -18.160 -1.593 11.619) 21.617 2.202 ( 5.948 -5.805 -4.032) 9.237 2.469 ( -5.337 2.300 5.439) 7.960 2.681 ( -5.484 1.575 -1.499) 5.899 2.927 ( 6.603 -4.923 -7.294) 11.002 3.469 ( 6.863 0.793 -8.948) 11.305 3.640 ( -0.065 2.229 4.572) 5.087 4.193 ( 3.599 2.602 -0.442) 4.463 4.883 ( 7.148 -3.695 0.781) 8.084 5.490 ( -0.331 1.020 -1.366) 1.736 5.862 ( 1.761 1.516 6.395) 6.804 6.107 ( 6.600 3.204 4.209) 8.458 7.065 ( -6.267 -4.144 -12.826) 14.864 7.419 ( -2.535 -4.340 -1.160) 5.158 7.501 ( 2.965 4.822 -1.073) 5.762 8.085 ( -5.345 0.704 -0.487) 5.413 8.472 ( 2.290 -2.294 8.458) 9.058 13.566 ( -2.457 -7.540 -9.161) 12.117 13.864 ( 5.163 -2.796 6.734) 8.934 15.654 ( -0.291 3.422 3.917) 5.210 15.894 ( -6.145 0.851 -10.931) 12.569 16.553 ( 1.058 -0.550 -0.830) 1.453 17.169 ( 5.870 4.504 7.057) 10.225 ======================= Grid point 53 (43/172) ======================= q-point: ( 0.10 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.811 ( -10.701 0.568 5.758) 12.165 2.086 ( 1.153 -2.322 -5.140) 5.757 2.351 ( 11.809 2.002 -7.721) 14.251 2.404 ( -1.617 6.550 4.026) 7.856 2.697 ( 1.829 1.700 2.800) 3.751 3.044 ( 10.065 -4.517 -8.385) 13.856 3.208 ( -8.146 0.553 9.346) 12.410 3.697 ( -1.426 0.263 -1.568) 2.136 4.143 ( -6.235 -1.003 -0.923) 6.382 4.845 ( 0.687 -2.526 -1.215) 2.886 5.501 ( 2.348 -1.724 1.000) 3.080 5.920 ( -1.520 -0.940 -3.767) 4.170 6.114 ( -6.395 -5.149 -4.762) 9.492 6.925 ( 0.184 7.664 7.319) 10.599 7.359 ( -3.260 7.380 -2.243) 8.374 7.544 ( 4.229 -8.673 3.965) 10.432 8.116 ( 2.487 2.410 1.950) 3.974 8.549 ( 1.828 -0.721 -4.621) 5.022 13.451 ( 3.008 6.246 4.883) 8.480 13.861 ( -5.645 2.631 -6.686) 9.137 15.715 ( 0.548 -2.868 -0.374) 2.944 15.844 ( 4.411 -0.036 7.397) 8.612 16.534 ( -0.391 0.349 -0.063) 0.528 17.222 ( -3.812 -4.962 -4.943) 7.974 ======================= Grid point 54 (44/172) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.780 ( -4.273 -1.540 2.468) 5.169 1.969 ( -4.819 4.150 -5.388) 8.335 2.340 ( 1.779 0.014 -5.390) 5.676 2.515 ( 4.068 3.286 -2.530) 5.809 2.788 ( 0.650 1.878 3.034) 3.627 3.050 ( 13.061 -2.702 -5.014) 14.249 3.268 ( -4.381 1.017 10.775) 11.676 3.669 ( -1.872 2.834 -1.000) 3.541 4.020 ( -7.867 -1.105 -0.464) 7.958 4.776 ( -1.241 -6.687 -3.581) 7.686 5.505 ( -0.336 -3.742 -0.971) 3.881 5.807 ( -2.975 -2.898 -6.793) 7.962 5.988 ( 1.021 -1.505 -0.515) 1.890 7.032 ( -8.622 9.744 3.900) 13.583 7.375 ( 0.466 1.925 4.649) 5.053 7.617 ( 5.539 -4.572 3.876) 8.161 8.206 ( 2.492 3.101 2.532) 4.715 8.486 ( 3.051 -1.200 -8.432) 9.047 13.637 ( -0.794 7.378 1.689) 7.611 13.709 ( -2.196 6.685 -2.038) 7.326 15.672 ( 0.979 -4.577 -2.887) 5.499 16.043 ( 4.456 0.042 11.298) 12.145 16.528 ( -0.682 0.536 -0.269) 0.908 17.016 ( -5.089 -8.134 -7.727) 12.320 ======================= Grid point 55 (45/172) ======================= q-point: ( 0.30 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.642 ( 0.492 -4.729 -13.654) 14.458 1.965 ( -6.821 8.190 6.698) 12.589 2.298 ( 3.225 -1.990 -4.293) 5.727 2.467 ( -0.654 -0.932 -5.635) 5.749 2.807 ( -4.962 2.401 2.894) 6.226 3.219 ( 12.174 0.595 1.251) 12.252 3.384 ( 2.383 1.690 6.428) 7.061 3.641 ( -4.211 2.412 -0.783) 4.916 3.951 ( -3.821 3.020 2.356) 5.410 4.617 ( -3.173 -9.980 -5.178) 11.682 5.382 ( -4.582 -7.178 -5.056) 9.904 5.688 ( -1.149 0.787 -3.959) 4.197 6.076 ( 8.835 -0.306 2.236) 9.119 6.959 ( -12.878 6.217 -0.269) 14.303 7.520 ( 1.793 0.138 11.007) 11.153 7.713 ( 4.959 -0.425 2.839) 5.730 8.282 ( -0.157 2.980 1.744) 3.456 8.388 ( 4.177 -1.749 -10.604) 11.531 13.498 ( -6.275 3.037 -6.878) 9.793 13.940 ( 4.123 11.585 8.986) 15.230 15.593 ( 0.999 -6.170 -4.652) 7.792 16.231 ( 0.746 0.869 9.522) 9.590 16.517 ( -0.742 0.503 -0.505) 1.029 16.792 ( -2.469 -8.202 -6.752) 10.907 ======================= Grid point 56 (46/172) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( 0.118 -2.782 -11.840) 12.163 2.013 ( -3.688 2.647 3.778) 5.906 2.241 ( -0.304 -2.475 -4.173) 4.861 2.467 ( 4.685 2.925 1.618) 5.755 2.762 ( -6.965 0.912 0.031) 7.024 3.351 ( 4.018 0.285 1.650) 4.353 3.492 ( 2.953 -0.488 0.558) 3.045 3.608 ( -0.906 1.956 1.153) 2.444 4.026 ( 0.094 8.535 4.605) 9.699 4.416 ( -3.293 -11.185 -5.232) 12.780 5.199 ( -3.665 -5.280 -4.458) 7.822 5.658 ( 0.023 1.310 -1.494) 1.987 6.237 ( 9.742 -0.393 2.176) 9.989 6.816 ( -11.275 3.005 -0.927) 11.705 7.664 ( 0.065 -0.865 7.241) 7.293 7.840 ( 4.519 1.998 6.308) 8.012 8.216 ( -1.585 -0.357 -9.431) 9.570 8.360 ( 2.610 0.340 -1.121) 2.861 13.376 ( -3.495 1.695 -3.795) 5.430 14.178 ( 2.518 8.438 6.628) 11.022 15.488 ( 0.360 -5.605 -4.487) 7.189 16.314 ( -2.625 0.692 3.974) 4.813 16.504 ( -0.537 0.200 -0.372) 0.683 16.674 ( 1.421 -4.562 -2.291) 5.299 ======================= Grid point 57 (47/172) ======================= q-point: (-0.50 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( 0.000 -0.000 -0.000) 0.000 2.020 ( 0.000 0.000 0.000) 0.000 2.195 ( 0.000 -0.000 -0.000) 0.000 2.584 ( -0.000 -0.000 -0.000) 0.000 2.666 ( 0.000 0.000 0.000) 0.000 3.389 ( 0.000 -0.000 -0.000) 0.000 3.496 ( -0.000 -0.000 -0.000) 0.000 3.638 ( 0.000 -0.000 -0.000) 0.000 4.150 ( 0.000 0.000 0.000) 0.000 4.258 ( 0.000 -0.000 -0.000) 0.000 5.118 ( 0.000 0.000 0.000) 0.000 5.654 ( 0.000 -0.000 -0.000) 0.000 6.335 ( 0.000 -0.000 -0.000) 0.000 6.728 ( 0.000 -0.000 0.000) 0.000 7.706 ( 0.000 0.000 0.000) 0.000 7.990 ( 0.000 -0.000 -0.000) 0.000 8.074 ( 0.000 0.000 0.000) 0.000 8.373 ( 0.000 0.000 0.000) 0.000 13.333 ( 0.000 -0.000 -0.000) 0.000 14.280 ( 0.000 0.000 0.000) 0.000 15.430 ( 0.000 0.000 -0.000) 0.000 16.317 ( 0.000 -0.000 -0.000) 0.000 16.499 ( 0.000 0.000 0.000) 0.000 16.659 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 114 (48/172) ======================= q-point: ( 0.10 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.706 ( -0.000 0.000 16.423) 16.423 0.706 ( -0.000 0.000 16.423) 16.423 1.746 ( -0.000 0.000 36.880) 36.880 2.801 ( -0.000 0.000 7.469) 7.469 2.815 ( 0.000 0.000 2.009) 2.009 2.815 ( 0.000 -0.000 2.009) 2.009 3.841 ( 0.000 -0.000 -13.318) 13.318 3.841 ( 0.000 -0.000 -13.318) 13.318 4.214 ( 0.000 -0.000 -19.989) 19.989 5.494 ( 0.000 -0.000 -1.946) 1.946 5.686 ( -0.000 0.000 4.980) 4.980 5.686 ( -0.000 0.000 4.980) 4.980 6.279 ( 0.000 0.000 0.488) 0.488 6.279 ( 0.000 -0.000 0.488) 0.488 7.161 ( 0.000 -0.000 -0.902) 0.902 7.800 ( -0.000 0.000 1.152) 1.152 7.800 ( -0.000 0.000 1.152) 1.152 9.142 ( 0.000 -0.000 -3.338) 3.338 13.674 ( 0.000 -0.000 -9.196) 9.196 13.674 ( 0.000 -0.000 -9.196) 9.196 15.652 ( -0.000 0.000 8.162) 8.162 15.652 ( -0.000 0.000 8.162) 8.162 16.592 ( 0.000 -0.000 -2.618) 2.618 17.474 ( 0.000 -0.000 -1.215) 1.215 ======================= Grid point 115 (49/172) ======================= q-point: ( 0.20 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.904 ( 0.916 10.114 14.124) 17.396 1.120 ( 17.160 3.030 13.339) 21.945 2.221 ( 2.181 1.769 29.356) 29.490 2.740 ( -6.504 -3.714 1.059) 7.565 2.843 ( -2.673 -3.038 3.317) 5.232 2.976 ( 3.241 3.169 7.770) 8.995 3.520 ( -7.957 -4.553 -12.436) 15.449 3.817 ( 8.026 5.801 -10.278) 14.273 3.905 ( 0.366 -2.057 -21.880) 21.979 5.414 ( -5.222 -2.682 -2.686) 6.456 5.688 ( -1.320 -2.683 0.576) 3.045 5.806 ( 3.862 2.925 1.948) 5.222 6.260 ( -3.370 3.748 -0.782) 5.101 6.351 ( 6.518 -0.228 1.911) 6.797 7.165 ( 1.258 0.320 -0.154) 1.307 7.804 ( -2.515 1.100 1.676) 3.216 7.847 ( 3.468 -0.513 1.949) 4.011 9.021 ( -6.696 -3.843 -3.005) 8.285 13.508 ( -2.085 -1.545 -7.694) 8.120 13.655 ( 7.335 5.184 -9.199) 12.857 15.744 ( -1.780 -0.117 7.454) 7.665 15.761 ( -0.048 -1.036 7.213) 7.287 16.559 ( 0.178 0.035 -2.323) 2.330 17.423 ( -2.213 -1.618 -2.107) 3.457 ======================= Grid point 116 (50/172) ======================= q-point: ( 0.30 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( 5.536 15.780 11.236) 20.147 1.548 ( 18.566 3.249 10.203) 21.432 2.564 ( -6.615 0.971 8.380) 10.720 2.654 ( 1.815 -6.780 8.981) 11.398 2.762 ( -8.591 -0.981 1.520) 8.780 3.087 ( -4.005 -1.804 3.255) 5.467 3.284 ( -1.103 -1.366 -6.224) 6.467 3.650 ( 4.205 -0.773 -16.462) 17.009 3.865 ( 9.399 5.665 -6.852) 12.938 5.248 ( -8.894 -4.064 -3.406) 10.355 5.623 ( -1.524 -4.674 -2.401) 5.471 5.879 ( 3.487 2.064 -1.474) 4.312 6.225 ( -4.143 4.857 -1.580) 6.577 6.498 ( 8.554 2.301 3.282) 9.447 7.193 ( 1.678 -0.344 1.363) 2.189 7.794 ( -4.777 1.552 2.522) 5.620 7.930 ( 5.109 -1.129 2.304) 5.717 8.850 ( -7.169 -3.992 -3.619) 8.968 13.398 ( -0.406 -1.680 -3.856) 4.225 13.681 ( 7.227 6.482 -8.584) 12.959 15.796 ( -2.331 -0.253 4.184) 4.796 15.838 ( -1.623 -2.050 8.154) 8.563 16.535 ( 0.239 -0.017 -1.669) 1.686 17.344 ( -1.655 -1.518 -3.727) 4.352 ======================= Grid point 117 (51/172) ======================= q-point: ( 0.40 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.581 ( 7.774 15.014 9.225) 19.260 1.937 ( 15.921 5.454 7.058) 18.250 2.411 ( -9.360 -6.840 -1.698) 11.717 2.536 ( -8.801 -3.409 -6.938) 11.714 2.789 ( -4.288 -7.456 1.011) 8.660 3.106 ( 0.912 7.348 9.471) 12.022 3.197 ( -1.121 -5.486 -5.343) 7.740 3.602 ( 5.384 2.575 -3.309) 6.824 3.961 ( 9.750 4.442 -4.299) 11.545 5.038 ( -9.379 -4.319 -3.758) 10.988 5.529 ( 0.003 -5.379 -3.593) 6.469 5.893 ( 2.351 1.834 -4.414) 5.327 6.186 ( -3.900 5.313 -1.876) 6.853 6.698 ( 9.235 3.643 4.845) 11.047 7.240 ( 1.386 -1.343 3.506) 4.002 7.769 ( -6.854 1.604 3.606) 7.909 8.019 ( 5.164 -2.082 2.113) 5.955 8.670 ( -6.120 -3.099 -5.564) 8.833 13.373 ( 1.772 -2.237 1.109) 3.062 13.712 ( 5.841 6.778 -7.561) 11.714 15.789 ( -2.355 -0.942 0.288) 2.552 15.914 ( -2.949 -2.046 10.100) 10.718 16.522 ( 0.407 0.123 -0.859) 0.958 17.256 ( -0.445 -0.413 -5.943) 5.974 ======================= Grid point 118 (52/172) ======================= q-point: (-0.50 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.898 ( 7.511 8.848 6.854) 13.479 2.046 ( -8.557 1.696 -13.962) 16.463 2.213 ( -4.973 -11.550 -5.090) 13.566 2.408 ( 5.247 1.868 7.039) 8.976 2.729 ( -0.570 -1.081 3.605) 3.807 2.982 ( -7.786 -6.734 -5.321) 11.587 3.370 ( 3.304 7.653 9.780) 12.850 3.645 ( 2.816 0.970 -2.546) 3.918 4.069 ( 8.893 3.270 -3.163) 9.989 4.857 ( -4.734 -2.655 -3.612) 6.519 5.457 ( 2.546 -5.003 -3.171) 6.447 5.855 ( 1.061 1.986 -6.576) 6.951 6.154 ( -3.216 5.528 -1.822) 6.650 6.926 ( 9.153 3.449 6.147) 11.553 7.302 ( 0.382 -2.244 5.769) 6.202 7.733 ( -8.419 1.029 4.751) 9.722 8.083 ( 3.444 -3.148 1.386) 4.868 8.488 ( -4.129 -1.525 -8.229) 9.332 13.440 ( 4.047 -3.149 5.914) 7.827 13.737 ( 4.127 6.679 -6.220) 10.017 15.729 ( -2.439 -1.063 -3.040) 4.040 16.001 ( -3.831 -2.487 12.052) 12.888 16.527 ( 0.868 0.509 0.038) 1.007 17.165 ( 0.971 1.353 -8.585) 8.745 ======================= Grid point 119 (53/172) ======================= q-point: (-0.40 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.621 ( -10.848 -3.622 -22.994) 25.681 1.851 ( -10.442 -15.510 -3.655) 19.051 2.225 ( 4.601 6.141 6.532) 10.077 2.499 ( -10.098 -5.917 0.610) 11.719 2.755 ( -0.636 0.087 5.457) 5.494 2.980 ( 7.850 6.829 8.796) 13.625 3.521 ( 4.842 3.674 -5.915) 8.481 3.629 ( -3.593 -0.159 4.190) 5.522 4.151 ( 6.609 2.377 -3.867) 8.018 4.808 ( 4.724 1.862 -2.229) 5.546 5.440 ( 5.046 -4.132 -1.491) 6.690 5.780 ( 0.149 2.008 -7.761) 8.018 6.137 ( -2.317 5.503 -1.491) 6.154 7.155 ( 8.915 2.408 5.942) 10.981 7.368 ( -1.881 -2.980 8.259) 8.979 7.689 ( -8.937 -0.357 5.821) 10.671 8.089 ( -0.809 -3.411 0.217) 3.512 8.318 ( -0.586 0.019 -11.237) 11.252 13.582 ( 5.934 -4.310 8.833) 11.481 13.762 ( 2.212 6.665 -3.878) 8.022 15.630 ( -2.345 -0.812 -5.443) 5.982 16.098 ( -4.636 -3.192 13.803) 14.907 16.554 ( 1.374 0.791 0.766) 1.761 17.071 ( 2.625 3.344 -11.547) 12.305 ======================= Grid point 120 (54/172) ======================= q-point: (-0.30 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( -11.933 -5.820 -19.392) 23.501 1.497 ( -14.906 -16.148 -4.102) 22.355 2.101 ( -24.062 -11.622 -0.856) 26.735 2.473 ( 5.240 4.873 4.649) 8.534 2.932 ( 4.794 1.033 12.343) 13.281 3.209 ( -3.706 1.399 5.746) 6.979 3.461 ( 8.153 5.384 -13.656) 16.791 3.691 ( 2.611 1.607 5.809) 6.568 4.173 ( 4.285 1.543 -5.833) 7.400 4.945 ( 11.370 6.657 0.190) 13.176 5.482 ( 5.625 -3.380 0.765) 6.607 5.689 ( 0.224 1.562 -7.539) 7.702 6.138 ( -1.135 5.182 -1.013) 5.400 7.338 ( 9.319 1.294 -2.131) 9.647 7.436 ( -5.263 -2.832 13.979) 15.203 7.659 ( -7.503 -2.832 9.223) 12.223 8.013 ( -6.072 0.580 -2.503) 6.593 8.164 ( 2.234 -2.223 -12.420) 12.814 13.740 ( 6.226 -2.696 4.158) 7.957 13.814 ( 0.538 4.266 4.085) 5.931 15.517 ( -1.770 -0.423 -5.930) 6.203 16.195 ( -5.208 -3.650 13.654) 15.063 16.590 ( 1.525 0.715 0.456) 1.745 16.980 ( 4.556 4.757 -13.152) 14.709 ======================= Grid point 121 (55/172) ======================= q-point: (-0.20 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.758 ( -13.879 -6.466 1.501) 15.385 1.103 ( -18.805 -13.059 -3.272) 23.127 1.634 ( -28.143 -15.669 1.119) 32.231 2.628 ( 3.831 2.827 4.228) 6.367 3.076 ( -11.172 -5.631 1.120) 12.560 3.197 ( 2.209 -0.575 10.846) 11.084 3.395 ( 9.919 6.882 -17.164) 20.985 3.927 ( 9.100 5.766 8.595) 13.782 4.137 ( 3.456 1.176 -8.462) 9.216 5.178 ( 11.628 8.237 1.097) 14.292 5.526 ( 1.922 -3.355 0.245) 3.874 5.643 ( 3.506 1.265 -2.159) 4.307 6.160 ( 0.350 4.566 -0.566) 4.614 7.341 ( -0.729 -2.293 -2.585) 3.531 7.488 ( 1.869 1.469 -10.335) 10.604 7.760 ( -2.277 -4.900 16.344) 17.214 7.908 ( -8.168 6.420 5.300) 11.663 8.003 ( -0.760 -7.320 -6.314) 9.697 13.824 ( 1.915 4.006 1.540) 4.700 13.927 ( 1.433 -2.245 6.411) 6.942 15.434 ( -0.317 -0.255 -3.013) 3.040 16.225 ( -5.270 -3.100 1.531) 6.303 16.614 ( 1.573 0.888 -0.388) 1.847 16.945 ( 6.020 3.737 -5.165) 8.768 ======================= Grid point 122 (56/172) ======================= q-point: (-0.10 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.716 ( -21.106 -7.392 1.654) 22.424 0.799 ( -12.356 -1.696 30.338) 32.802 1.171 ( -26.045 -20.277 7.667) 33.887 2.727 ( 0.950 0.174 3.368) 3.503 2.901 ( -8.991 -5.271 0.932) 10.464 3.020 ( -3.567 -0.930 -19.401) 19.748 3.691 ( 15.931 7.869 12.453) 21.698 4.062 ( 2.399 4.195 -10.231) 11.315 4.161 ( 7.193 1.352 3.710) 8.206 5.369 ( 7.318 6.205 -1.129) 9.660 5.525 ( 2.838 -4.372 1.889) 5.545 5.725 ( 2.384 2.532 3.429) 4.884 6.200 ( 1.437 3.816 -0.316) 4.089 7.092 ( -12.349 -5.870 -32.600) 35.351 7.266 ( -3.700 -2.954 -1.307) 4.912 7.767 ( -0.708 1.700 -0.297) 1.865 7.880 ( -3.328 -5.130 -0.626) 6.147 8.319 ( 10.427 6.855 34.313) 36.511 13.898 ( -0.430 4.318 0.971) 4.446 13.952 ( -1.418 -1.975 -0.710) 2.533 15.437 ( 1.529 -0.627 2.831) 3.278 15.970 ( -8.820 -4.753 -19.019) 21.497 16.637 ( 1.005 0.625 -0.598) 1.326 17.113 ( 9.522 3.604 9.909) 14.207 ======================= Grid point 125 (57/172) ======================= q-point: ( 0.20 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( 6.327 2.569 14.200) 15.756 1.296 ( -4.564 14.839 11.475) 19.305 2.559 ( 0.862 0.630 20.032) 20.060 2.718 ( -1.575 -10.444 1.573) 10.679 2.950 ( 1.303 2.024 3.129) 3.948 3.104 ( 0.416 3.603 10.106) 10.738 3.394 ( 0.114 -5.848 -9.026) 10.756 3.534 ( -2.364 -3.048 -21.998) 22.334 3.685 ( 0.675 9.376 -11.323) 14.716 5.364 ( 0.144 -7.438 -3.530) 8.235 5.678 ( -0.657 -1.943 -2.297) 3.079 5.806 ( -0.381 5.444 -3.340) 6.398 6.285 ( 5.902 -1.270 2.887) 6.692 6.359 ( -4.471 2.710 1.941) 5.577 7.180 ( -0.311 0.821 2.578) 2.724 7.827 ( 2.221 -1.486 1.844) 3.247 7.886 ( -2.190 3.467 2.902) 5.024 8.961 ( 0.026 -4.730 -6.066) 7.692 13.462 ( -2.971 3.258 -6.250) 7.649 13.507 ( 3.214 4.520 -6.614) 8.632 15.818 ( 0.168 -3.117 4.946) 5.849 15.878 ( -0.144 0.993 7.781) 7.846 16.532 ( -0.059 0.341 -1.827) 1.860 17.370 ( -0.170 -4.360 -3.938) 5.878 ======================= Grid point 126 (58/172) ======================= q-point: ( 0.30 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( 8.160 12.451 10.729) 18.350 1.535 ( 6.089 8.699 9.473) 14.230 2.556 ( -2.313 -13.773 -2.657) 14.217 2.831 ( -0.967 1.729 11.948) 12.112 2.912 ( -13.867 1.939 -2.270) 14.184 3.117 ( 2.068 -7.013 -16.334) 17.896 3.236 ( -4.751 1.580 7.960) 9.404 3.398 ( 8.507 3.858 -3.626) 10.020 3.705 ( 7.650 6.230 -5.544) 11.317 5.220 ( -2.909 -9.413 -4.844) 10.978 5.570 ( -3.740 -2.980 -5.411) 7.221 5.804 ( 3.602 3.835 -5.554) 7.650 6.320 ( -6.073 2.593 1.070) 6.689 6.451 ( 9.238 1.801 4.087) 10.261 7.238 ( -0.588 -0.103 6.329) 6.357 7.886 ( 3.751 -0.670 1.716) 4.179 7.916 ( -3.690 2.975 3.614) 5.961 8.810 ( -3.187 -4.065 -7.467) 9.079 13.368 ( -1.817 1.302 -3.146) 3.859 13.558 ( 5.316 8.226 -4.289) 10.692 15.833 ( -0.888 -3.799 1.914) 4.346 15.981 ( -1.411 1.326 7.795) 8.032 16.514 ( 0.119 0.340 -1.202) 1.255 17.262 ( -0.181 -5.513 -5.501) 7.790 ======================= Grid point 127 (59/172) ======================= q-point: ( 0.40 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.720 ( 4.256 12.468 5.765) 14.380 1.869 ( 14.866 6.464 6.586) 17.498 2.363 ( -3.107 -10.451 -4.868) 11.940 2.568 ( -13.964 -1.686 -13.458) 19.467 2.827 ( -4.891 -6.559 2.295) 8.498 3.072 ( 0.870 1.091 0.465) 1.471 3.340 ( -1.250 3.700 9.267) 10.056 3.516 ( 6.111 4.777 -0.497) 7.772 3.802 ( 9.330 3.561 -3.404) 10.551 5.020 ( -4.795 -9.273 -5.869) 11.975 5.421 ( -1.297 -4.309 -6.307) 7.748 5.798 ( 3.257 3.580 -6.708) 8.272 6.266 ( -5.360 0.659 0.814) 5.461 6.662 ( 10.018 5.343 3.279) 11.817 7.332 ( -1.627 -1.336 10.498) 10.707 7.924 ( -5.753 3.542 3.654) 7.681 7.960 ( 4.763 -2.255 1.638) 5.519 8.620 ( -4.406 -2.824 -8.797) 10.236 13.356 ( 1.806 -0.545 0.851) 2.070 13.643 ( 3.000 9.844 -1.949) 10.474 15.787 ( -1.826 -3.707 -1.581) 4.425 16.079 ( -1.637 0.882 8.604) 8.803 16.509 ( 0.454 0.396 -0.503) 0.784 17.137 ( 0.782 -4.769 -7.559) 8.972 ======================= Grid point 128 (60/172) ======================= q-point: (-0.50 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( -0.242 -3.624 -15.825) 16.236 2.064 ( 2.063 6.598 2.912) 7.501 2.202 ( -9.413 -9.269 -1.394) 13.284 2.438 ( 9.316 7.380 5.457) 13.078 2.786 ( -1.297 -1.672 3.951) 4.482 3.027 ( -7.947 -1.291 0.636) 8.077 3.435 ( 1.543 0.754 -0.339) 1.750 3.645 ( 2.398 5.990 4.906) 8.105 3.907 ( 9.753 2.621 -3.751) 10.773 4.811 ( -3.276 -7.022 -6.129) 9.880 5.318 ( 2.767 -4.445 -4.878) 7.156 5.762 ( 1.501 3.661 -7.461) 8.445 6.214 ( -3.639 -0.622 0.686) 3.755 6.882 ( 10.223 6.988 1.583) 12.484 7.454 ( -3.141 -2.364 14.128) 14.665 7.907 ( -7.029 0.570 3.993) 8.104 8.020 ( 4.180 -1.948 0.477) 4.637 8.416 ( -4.725 -0.970 -9.808) 10.930 13.427 ( 5.093 -2.376 4.046) 6.925 13.737 ( 0.082 10.373 1.162) 10.438 15.689 ( -2.074 -3.483 -4.616) 6.144 16.186 ( -1.550 0.150 9.840) 9.962 16.521 ( 1.004 0.534 0.299) 1.176 17.004 ( 1.874 -2.771 -10.535) 11.053 ======================= Grid point 129 (61/172) ======================= q-point: (-0.40 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.414 ( -8.053 -5.798 -16.986) 19.672 1.890 ( -13.826 -12.756 -0.408) 18.816 2.309 ( 5.625 8.344 6.115) 11.775 2.632 ( -4.946 -2.995 5.030) 7.664 2.822 ( -2.291 2.332 1.126) 3.458 3.019 ( 8.365 6.481 4.698) 11.578 3.403 ( -0.224 -1.302 -3.760) 3.985 3.730 ( -2.062 -0.325 1.974) 2.873 3.999 ( 7.588 3.647 -4.160) 9.391 4.710 ( 4.930 -0.918 -3.859) 6.328 5.301 ( 6.145 -3.422 -1.969) 7.304 5.696 ( -0.224 3.420 -7.450) 8.201 6.180 ( -1.719 -1.386 0.773) 2.340 7.077 ( 9.409 7.451 -0.976) 12.042 7.584 ( -4.804 -2.320 14.809) 15.740 7.853 ( -6.644 -4.137 4.193) 8.879 8.047 ( 2.619 -2.410 -1.232) 3.766 8.222 ( -5.403 1.924 -8.551) 10.296 13.554 ( 6.962 -3.469 5.693) 9.640 13.840 ( -2.028 9.496 4.546) 10.722 15.562 ( -1.653 -2.970 -6.172) 7.046 16.304 ( -2.065 -0.472 10.956) 11.159 16.550 ( 1.368 0.258 0.859) 1.635 16.859 ( 3.545 -0.135 -14.297) 14.731 ======================= Grid point 130 (62/172) ======================= q-point: (-0.30 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( -11.313 -4.710 -0.077) 12.254 1.593 ( -16.981 -10.196 0.998) 19.832 2.373 ( -25.141 -6.720 1.147) 26.049 2.509 ( 4.796 4.573 4.254) 7.874 2.965 ( 12.776 2.196 2.574) 13.216 3.193 ( 5.942 2.726 -7.664) 10.073 3.372 ( -6.224 1.031 4.846) 7.955 3.697 ( 4.464 -2.591 -0.140) 5.163 4.032 ( 3.737 3.156 -6.016) 7.754 4.833 ( 12.903 5.533 -0.147) 14.040 5.371 ( 7.732 -2.039 1.102) 8.072 5.616 ( -0.982 2.756 -5.917) 6.601 6.168 ( -0.147 -1.574 1.028) 1.886 7.213 ( 6.741 7.281 -4.090) 10.732 7.613 ( -7.158 -1.465 0.451) 7.320 7.848 ( -2.770 -7.158 13.170) 15.243 7.979 ( -0.059 -5.085 -7.531) 9.087 8.120 ( -5.975 4.663 2.570) 8.004 13.705 ( 6.479 -2.877 6.673) 9.736 13.942 ( -2.464 5.991 5.188) 8.299 15.448 ( -0.705 -1.656 -4.804) 5.130 16.381 ( -5.545 -1.810 5.084) 7.738 16.567 ( 1.678 0.140 -1.390) 2.184 16.756 ( 7.477 2.805 -9.738) 12.594 ======================= Grid point 131 (63/172) ======================= q-point: (-0.20 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( -10.940 -4.561 20.080) 23.317 1.330 ( -20.030 -1.981 6.576) 21.175 1.951 ( -29.636 -9.153 1.639) 31.061 2.637 ( 4.651 -0.839 3.092) 5.648 3.011 ( 5.682 1.028 -18.775) 19.643 3.227 ( -13.179 -5.195 0.026) 14.166 3.319 ( 10.387 5.381 10.306) 15.591 3.836 ( 12.539 -2.378 -3.367) 13.199 4.032 ( 2.829 7.745 -3.149) 8.826 5.073 ( 13.934 6.094 0.093) 15.208 5.460 ( 3.868 -1.651 -0.351) 4.221 5.603 ( 3.258 3.010 1.684) 4.745 6.179 ( 0.981 -1.049 1.326) 1.955 7.235 ( 0.233 6.794 -9.986) 12.080 7.426 ( -7.544 -2.996 -8.349) 11.645 7.830 ( -3.039 -3.855 -2.991) 5.748 7.928 ( -0.987 -5.595 5.234) 7.725 8.218 ( -0.989 2.122 16.654) 16.818 13.858 ( 4.298 -1.082 6.794) 8.112 13.977 ( -2.061 -0.268 0.147) 2.083 15.410 ( 0.582 0.593 0.459) 0.949 16.189 ( -7.779 -2.423 -14.210) 16.380 16.598 ( 1.823 0.811 0.275) 2.014 16.868 ( 8.993 3.965 4.220) 10.696 ======================= Grid point 132 (64/172) ======================= q-point: (-0.10 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( -18.435 1.777 8.992) 20.588 1.358 ( -16.830 -3.210 20.661) 26.841 1.558 ( -23.814 -5.960 16.877) 29.790 2.698 ( 4.923 -5.733 -1.583) 7.721 2.817 ( -1.298 1.269 -10.182) 10.343 3.045 ( -9.479 -4.111 2.363) 10.599 3.624 ( 11.866 6.063 -1.318) 13.390 3.854 ( 10.547 0.347 -7.677) 13.050 4.123 ( 3.403 5.097 -2.387) 6.577 5.266 ( 10.522 3.757 -2.180) 11.383 5.486 ( 3.544 -2.057 1.844) 4.494 5.752 ( 4.216 3.000 5.591) 7.618 6.215 ( 1.732 0.520 1.640) 2.441 6.937 ( -16.015 0.693 -18.900) 24.783 7.267 ( -3.126 -0.955 -3.077) 4.489 7.773 ( 0.408 -2.953 0.685) 3.059 7.899 ( -3.855 -1.802 0.971) 4.364 8.542 ( 9.933 0.912 17.599) 20.230 13.864 ( -2.011 -5.197 -7.539) 9.375 13.960 ( -0.362 -0.752 1.573) 1.781 15.484 ( 1.466 2.106 6.116) 6.632 15.853 ( -8.509 -1.852 -12.491) 15.227 16.612 ( 0.976 0.030 -1.427) 1.729 17.122 ( 10.258 5.383 6.794) 13.430 ======================= Grid point 135 (65/172) ======================= q-point: ( 0.20 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( -2.885 3.189 13.218) 13.900 1.637 ( -8.819 13.448 7.706) 17.833 2.559 ( 2.012 -13.507 -1.410) 13.728 2.815 ( 11.592 -2.464 -5.518) 13.073 2.888 ( -2.486 3.703 13.867) 14.567 3.165 ( 9.992 -1.809 -2.957) 10.576 3.249 ( -0.880 0.393 -4.890) 4.984 3.399 ( -9.948 3.457 -4.981) 11.650 3.709 ( -8.019 7.161 -4.673) 11.723 5.214 ( 3.407 -9.825 -4.638) 11.386 5.609 ( 1.756 0.430 -5.157) 5.465 5.802 ( -3.789 3.427 -6.850) 8.546 6.220 ( 6.410 -4.306 3.483) 8.471 6.503 ( -7.090 4.738 3.049) 9.057 7.250 ( -0.074 1.086 6.037) 6.134 7.809 ( 1.762 -3.341 2.197) 4.370 7.991 ( -1.723 5.445 3.235) 6.564 8.808 ( 3.312 -4.270 -7.519) 9.259 13.436 ( 3.534 6.409 -0.307) 7.325 13.487 ( -6.912 2.877 -6.667) 10.025 15.833 ( 0.941 -3.924 2.283) 4.637 15.979 ( 1.410 1.347 7.404) 7.657 16.516 ( -0.181 0.469 -1.256) 1.353 17.265 ( 0.065 -5.290 -5.782) 7.837 ======================= Grid point 136 (66/172) ======================= q-point: ( 0.30 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( 7.099 7.268 11.191) 15.115 1.727 ( -3.619 9.517 4.322) 11.061 2.411 ( -0.291 -9.996 -7.112) 12.272 2.774 ( 4.100 -5.868 -15.947) 17.480 2.920 ( -3.678 -6.664 0.161) 7.613 3.120 ( -6.751 4.935 6.148) 10.379 3.326 ( 7.707 6.017 1.182) 9.849 3.404 ( -1.784 2.578 6.442) 7.165 3.658 ( -1.226 7.238 -1.821) 7.564 5.072 ( 0.162 -12.380 -6.237) 13.863 5.520 ( -3.571 -2.155 -6.907) 8.068 5.703 ( 2.064 4.280 -7.854) 9.180 6.374 ( 9.401 -2.313 4.254) 10.574 6.464 ( -7.371 4.452 1.950) 8.829 7.366 ( -0.652 0.112 10.836) 10.856 7.850 ( 3.169 -2.230 1.916) 4.323 8.045 ( -3.146 5.217 3.227) 6.894 8.682 ( 0.222 -3.490 -9.613) 10.230 13.368 ( -3.013 1.400 -3.301) 4.683 13.565 ( 2.901 10.453 2.568) 11.148 15.818 ( -0.187 -5.144 -0.225) 5.152 16.092 ( 0.257 2.786 5.523) 6.191 16.504 ( -0.053 0.478 -0.798) 0.932 17.128 ( 0.018 -7.615 -6.617) 10.089 ======================= Grid point 137 (67/172) ======================= q-point: ( 0.40 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.742 ( 1.202 -0.212 -5.110) 5.254 1.838 ( 10.086 5.863 6.126) 13.177 2.285 ( 0.494 5.364 -3.327) 6.331 2.493 ( -6.606 -9.353 -9.273) 14.734 2.839 ( -1.481 -8.438 1.404) 8.681 3.181 ( -4.637 6.125 4.613) 8.961 3.411 ( 1.239 1.070 -0.015) 1.637 3.557 ( 3.559 6.844 6.293) 9.955 3.714 ( 3.193 6.010 -0.628) 6.835 4.876 ( -0.889 -12.820 -6.998) 14.632 5.336 ( -3.825 -3.116 -7.566) 9.032 5.687 ( 3.855 4.640 -6.954) 9.205 6.362 ( -7.123 -2.629 1.854) 7.816 6.601 ( 10.312 5.203 2.588) 11.836 7.519 ( -1.657 -1.326 14.286) 14.442 7.906 ( 3.791 -1.903 1.487) 4.495 8.069 ( -4.680 4.094 2.508) 6.704 8.511 ( -1.797 -2.036 -10.344) 10.695 13.339 ( 0.967 -0.439 0.427) 1.145 13.732 ( 0.641 12.340 5.012) 13.334 15.739 ( -1.451 -5.601 -3.473) 6.748 16.187 ( 0.792 2.956 4.514) 5.453 16.502 ( 0.380 0.435 -0.252) 0.630 16.977 ( 0.339 -7.218 -7.366) 10.319 ======================= Grid point 138 (68/172) ======================= q-point: (-0.50 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( -2.392 -7.079 -12.477) 14.543 2.083 ( 9.409 5.746 3.588) 11.594 2.229 ( -8.743 -10.754 -2.196) 14.032 2.454 ( 6.938 11.824 4.464) 14.418 2.804 ( 2.025 -5.112 2.183) 5.916 3.178 ( -9.042 3.315 2.322) 9.906 3.412 ( -0.232 0.162 -1.108) 1.144 3.694 ( 3.475 0.666 0.351) 3.556 3.833 ( 4.037 10.310 2.594) 11.372 4.672 ( -0.550 -11.022 -7.101) 13.123 5.203 ( 0.563 -2.184 -4.909) 5.402 5.674 ( 2.194 4.768 -6.572) 8.410 6.268 ( -5.625 -4.411 1.354) 7.276 6.816 ( 10.352 6.698 1.244) 12.393 7.675 ( -2.051 -3.149 14.308) 14.793 7.951 ( 1.615 -2.791 1.634) 3.615 8.044 ( -4.695 1.547 -0.028) 4.943 8.342 ( -3.063 0.959 -8.063) 8.679 13.395 ( 4.332 -2.252 3.961) 6.287 13.900 ( -1.974 12.177 6.627) 14.003 15.608 ( -1.714 -5.385 -5.882) 8.157 16.290 ( 2.390 2.705 4.424) 5.710 16.516 ( 1.120 0.384 0.368) 1.240 16.820 ( -0.287 -5.184 -9.182) 10.549 ======================= Grid point 139 (69/172) ======================= q-point: (-0.40 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.340 ( -5.642 -5.280 -0.742) 7.763 1.992 ( -12.170 -8.946 1.400) 15.169 2.325 ( 10.863 6.381 2.352) 12.817 2.609 ( 5.261 -1.683 -0.373) 5.536 2.911 ( 3.454 4.369 2.096) 5.951 3.061 ( -9.777 0.228 1.511) 9.895 3.408 ( 0.210 1.749 1.306) 2.193 3.681 ( 0.806 -3.318 -4.599) 5.728 3.982 ( 0.545 7.791 1.072) 7.883 4.555 ( 6.438 -3.933 -4.374) 8.721 5.193 ( 4.812 -0.108 -0.770) 4.875 5.641 ( -0.112 4.820 -5.754) 7.507 6.188 ( -2.506 -6.244 1.318) 6.856 7.010 ( 8.743 8.189 -0.401) 11.986 7.765 ( -2.147 -3.807 3.866) 5.836 7.892 ( -3.290 -6.614 -0.847) 7.436 8.030 ( -2.493 -0.446 4.924) 5.537 8.249 ( -3.643 3.974 -1.657) 5.640 13.521 ( 6.476 -3.625 7.006) 10.206 14.033 ( -3.820 9.111 5.701) 11.406 15.471 ( -1.024 -3.559 -5.429) 6.572 16.418 ( 3.917 3.181 4.800) 6.965 16.548 ( 1.752 -0.061 1.367) 2.224 16.630 ( -1.497 -2.846 -12.690) 13.091 ======================= Grid point 140 (70/172) ======================= q-point: (-0.30 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.325 ( -7.217 -3.481 15.642) 17.575 1.802 ( -14.665 -3.351 5.424) 15.990 2.505 ( 5.022 2.247 1.065) 5.604 2.611 ( -1.351 -5.132 -3.104) 6.148 2.769 ( -7.985 0.334 -4.782) 9.313 3.131 ( 6.098 0.518 1.891) 6.406 3.516 ( 4.367 4.749 4.193) 7.694 3.547 ( -3.416 -5.545 -6.001) 8.856 3.990 ( -0.761 4.462 -3.499) 5.721 4.681 ( 14.061 3.865 -0.289) 14.585 5.295 ( 6.689 2.298 2.008) 7.352 5.601 ( -1.361 4.580 -3.165) 5.731 6.144 ( 0.762 -6.966 1.634) 7.196 7.159 ( 5.375 9.765 -2.406) 11.404 7.617 ( -6.060 -3.112 -9.079) 11.351 7.824 ( 1.245 -10.463 -0.367) 10.543 8.057 ( -6.847 0.429 7.006) 9.805 8.268 ( -1.647 1.978 6.769) 7.242 13.694 ( 7.112 -4.268 9.073) 12.293 14.067 ( -4.387 2.298 0.153) 4.955 15.404 ( -0.129 0.496 -0.872) 1.011 16.377 ( -5.162 -2.089 -14.623) 15.647 16.543 ( 2.284 1.866 1.895) 3.506 16.640 ( 6.828 3.167 3.887) 8.471 ======================= Grid point 141 (71/172) ======================= q-point: (-0.20 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( -9.839 -3.284 15.463) 18.620 1.753 ( -14.020 3.428 18.274) 23.286 2.310 ( -26.537 -3.728 1.494) 26.839 2.543 ( 5.879 -6.867 -3.476) 9.685 2.733 ( 6.936 2.113 -8.650) 11.287 3.210 ( 4.175 -5.688 -3.211) 7.752 3.430 ( -2.067 3.896 3.295) 5.505 3.606 ( 5.371 -1.795 -4.916) 7.499 4.019 ( 3.909 8.546 -2.444) 9.710 4.911 ( 14.648 3.671 -0.355) 15.106 5.404 ( 3.526 2.346 -0.810) 4.312 5.644 ( 2.494 5.674 4.241) 7.510 6.146 ( 3.043 -5.828 2.099) 6.902 7.211 ( -3.046 10.531 -6.974) 12.993 7.372 ( -5.590 -3.996 -8.783) 11.152 7.747 ( 1.409 -10.769 0.003) 10.861 8.034 ( -6.490 1.150 2.297) 6.980 8.405 ( 1.773 -0.867 11.750) 11.915 13.872 ( 5.441 -3.896 7.841) 10.309 13.950 ( -3.752 -5.213 -6.556) 9.178 15.454 ( 0.661 3.710 4.594) 5.942 16.072 ( -7.367 -1.261 -14.851) 16.626 16.578 ( 1.449 -0.008 -0.437) 1.514 16.863 ( 8.854 6.830 6.148) 12.761 ======================= Grid point 142 (72/172) ======================= q-point: (-0.10 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.432 ( -13.228 4.499 10.660) 17.575 1.769 ( -23.579 -6.210 8.023) 25.669 2.120 ( -15.273 3.513 24.078) 28.729 2.500 ( 6.840 -4.407 -7.494) 11.062 2.725 ( 3.699 -3.104 -1.753) 5.137 3.103 ( -1.701 -5.672 -2.838) 6.567 3.508 ( -0.821 -2.165 -4.844) 5.368 3.620 ( 13.301 7.405 -5.012) 16.027 4.091 ( 1.735 7.299 -4.350) 8.672 5.096 ( 12.332 0.609 -1.976) 12.504 5.444 ( 3.632 1.313 -0.200) 3.867 5.815 ( 3.261 5.184 5.775) 8.417 6.193 ( 4.223 -2.500 2.512) 5.513 6.960 ( -15.756 0.827 -11.709) 19.648 7.257 ( -2.153 2.229 -3.995) 5.056 7.725 ( 3.426 -7.268 2.369) 8.376 7.975 ( -5.696 1.011 0.290) 5.792 8.600 ( 6.721 -2.068 9.274) 11.638 13.718 ( -3.238 -8.391 -10.117) 13.537 13.974 ( 0.285 -2.086 1.938) 2.862 15.577 ( 1.378 2.989 6.796) 7.551 15.809 ( -5.849 -0.626 -7.390) 9.446 16.578 ( 0.815 -0.406 -1.437) 1.701 17.118 ( 8.776 7.567 4.362) 12.382 ======================= Grid point 145 (73/172) ======================= q-point: ( 0.20 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.560 ( -9.706 4.417 12.103) 16.131 1.908 ( -8.770 5.156 0.263) 10.177 2.374 ( 2.700 -7.796 -5.500) 9.916 2.556 ( 9.269 -0.356 -7.772) 12.102 2.933 ( 9.119 -4.215 -2.409) 10.331 3.099 ( -0.153 5.442 3.704) 6.585 3.251 ( -0.075 -1.747 5.773) 6.032 3.519 ( -6.218 4.164 -0.664) 7.513 3.835 ( -9.152 6.036 -2.486) 11.241 5.010 ( 4.841 -9.492 -5.461) 11.973 5.518 ( 1.599 2.233 -5.891) 6.500 5.770 ( -4.434 1.403 -8.773) 9.930 6.148 ( 4.808 -6.244 3.297) 8.543 6.700 ( -8.880 6.854 3.239) 11.676 7.356 ( 1.461 0.752 9.665) 9.804 7.788 ( 1.629 -5.125 2.974) 6.145 8.095 ( -0.557 6.135 2.748) 6.745 8.610 ( 4.549 -3.637 -9.080) 10.788 13.485 ( 1.507 6.638 4.745) 8.297 13.521 ( -6.527 3.263 -5.253) 8.991 15.790 ( 2.044 -3.785 -1.239) 4.477 16.075 ( 1.352 0.931 8.480) 8.638 16.510 ( -0.402 0.449 -0.688) 0.915 17.134 ( -0.587 -5.164 -8.037) 9.571 ======================= Grid point 146 (74/172) ======================= q-point: ( 0.30 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.694 ( -2.264 7.378 11.339) 13.716 1.781 ( -2.225 -4.348 -8.421) 9.735 2.295 ( -1.195 4.355 -3.849) 5.934 2.515 ( 4.096 -6.409 -7.698) 10.822 2.874 ( -1.026 -8.358 -0.776) 8.456 3.287 ( 7.029 4.727 0.741) 8.503 3.321 ( -2.482 4.650 8.018) 9.595 3.498 ( -1.572 3.622 1.379) 4.182 3.766 ( -5.788 6.857 0.298) 8.978 4.875 ( 1.019 -12.159 -6.999) 14.067 5.446 ( -2.200 -2.005 -6.844) 7.463 5.612 ( -0.546 4.119 -8.577) 9.530 6.275 ( 10.024 -3.707 4.350) 11.539 6.648 ( -10.302 5.072 1.782) 11.620 7.536 ( 0.620 -0.344 13.908) 13.926 7.819 ( 2.503 -3.216 2.290) 4.675 8.159 ( -1.893 5.496 2.018) 6.153 8.497 ( 2.797 -2.811 -10.788) 11.494 13.387 ( -4.444 0.330 -2.317) 5.023 13.694 ( 2.100 12.038 7.906) 14.554 15.746 ( 1.168 -5.715 -3.240) 6.673 16.184 ( -0.714 3.204 4.631) 5.676 16.500 ( -0.261 0.404 -0.526) 0.713 16.970 ( 0.219 -7.649 -7.555) 10.753 ======================= Grid point 147 (75/172) ======================= q-point: ( 0.40 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.577 ( 0.068 -8.443 -10.507) 13.479 1.876 ( 2.307 6.432 6.309) 9.301 2.342 ( 0.989 10.086 0.190) 10.137 2.388 ( -0.816 -8.257 -1.731) 8.476 2.793 ( -1.198 -8.318 0.132) 8.405 3.344 ( -2.915 3.227 2.900) 5.227 3.405 ( -0.356 4.816 -0.792) 4.893 3.590 ( 4.561 2.723 2.606) 5.917 3.800 ( -1.627 9.400 2.845) 9.955 4.684 ( -0.220 -12.907 -7.042) 14.704 5.262 ( -4.188 -3.698 -7.272) 9.170 5.589 ( 3.323 5.925 -5.905) 9.001 6.411 ( 3.180 -4.895 2.785) 6.468 6.598 ( -2.212 5.655 1.685) 6.302 7.714 ( -1.061 -3.220 12.830) 13.270 7.879 ( 3.407 -0.615 4.026) 5.309 8.163 ( -3.411 2.341 -1.832) 4.525 8.373 ( 0.965 0.052 -8.236) 8.293 13.343 ( -0.651 -1.227 1.446) 2.005 13.927 ( 0.176 12.959 9.046) 15.805 15.641 ( -0.373 -6.853 -5.518) 8.806 16.242 ( 0.070 3.930 1.170) 4.101 16.496 ( 0.228 0.319 -0.343) 0.521 16.827 ( 0.372 -6.743 -5.996) 9.031 ======================= Grid point 148 (76/172) ======================= q-point: (-0.50 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.422 ( -0.805 -6.932 -0.878) 7.034 2.029 ( 7.111 4.265 1.377) 8.406 2.228 ( -5.117 -8.176 -0.169) 9.647 2.553 ( 2.590 10.284 5.311) 11.861 2.721 ( 3.032 -7.567 -0.825) 8.193 3.341 ( -5.721 2.951 1.141) 6.537 3.412 ( -0.719 2.394 -0.549) 2.559 3.652 ( 1.203 0.407 -1.291) 1.811 3.938 ( 1.885 11.903 3.801) 12.636 4.487 ( -0.037 -12.069 -6.675) 13.791 5.133 ( -0.432 -0.931 -3.499) 3.647 5.604 ( 2.545 5.630 -4.750) 7.793 6.338 ( -7.535 -5.189 0.927) 9.196 6.744 ( 9.779 4.970 1.902) 11.133 7.774 ( -0.179 -5.425 2.987) 6.195 7.996 ( -1.575 -1.225 2.355) 3.087 8.071 ( -1.255 -0.444 1.863) 2.289 8.318 ( -1.491 3.432 -2.372) 4.430 13.388 ( 2.971 -2.923 5.181) 6.650 14.122 ( -2.341 10.373 7.450) 12.984 15.500 ( -0.978 -5.506 -5.614) 7.924 16.294 ( 3.344 3.834 -1.070) 5.199 16.502 ( 0.983 0.298 -0.409) 1.105 16.702 ( -1.784 -4.145 -5.046) 6.770 ======================= Grid point 149 (77/172) ======================= q-point: (-0.40 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( -1.842 -4.107 12.807) 13.575 2.085 ( -3.580 -4.798 0.938) 6.060 2.219 ( 7.849 4.078 1.733) 9.014 2.547 ( -2.011 -6.220 -2.367) 6.953 2.861 ( 9.838 3.141 2.932) 10.736 3.246 ( -11.484 0.368 -0.375) 11.496 3.418 ( 0.071 2.044 -0.747) 2.178 3.622 ( -0.410 0.574 -2.555) 2.650 4.062 ( -2.298 5.850 -0.060) 6.285 4.378 ( 7.124 -3.038 -3.119) 8.349 5.149 ( 3.678 2.870 1.167) 4.809 5.614 ( 0.874 5.566 -3.560) 6.665 6.206 ( -6.014 -6.820 0.774) 9.126 6.942 ( 10.228 5.607 0.957) 11.703 7.710 ( -1.188 -5.196 -5.723) 7.820 7.860 ( -3.470 -4.881 -3.893) 7.143 8.208 ( -2.635 -0.120 12.722) 12.993 8.298 ( -1.513 3.034 -0.906) 3.509 13.512 ( 5.787 -4.373 8.331) 11.046 14.195 ( -4.550 2.955 1.379) 5.598 15.414 ( -0.554 -0.249 -1.278) 1.415 16.344 ( 5.290 2.789 -6.966) 9.181 16.511 ( 0.946 0.779 -0.645) 1.385 16.598 ( -2.679 -0.600 -0.370) 2.770 ======================= Grid point 150 (78/172) ======================= q-point: (-0.30 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.603 ( -3.362 -3.259 16.558) 17.208 2.056 ( -6.498 0.781 9.342) 11.406 2.364 ( 9.506 -1.902 -5.094) 10.951 2.461 ( 1.863 -2.750 0.014) 3.322 2.960 ( -5.728 0.285 -1.032) 5.827 3.064 ( -5.075 -4.896 -0.443) 7.066 3.389 ( 1.449 -0.392 -6.199) 6.378 3.638 ( -0.281 4.092 2.549) 4.829 3.988 ( -2.690 1.191 -4.258) 5.175 4.536 ( 12.222 6.044 0.742) 13.656 5.279 ( 5.037 5.732 2.510) 8.033 5.627 ( -0.081 5.933 -0.863) 5.996 6.108 ( -1.710 -7.972 1.420) 8.276 7.124 ( 8.235 7.022 -0.099) 10.823 7.521 ( -4.355 -4.583 -9.436) 11.358 7.746 ( -1.908 -8.059 -1.222) 8.371 8.225 ( -6.701 2.085 1.078) 7.100 8.379 ( 0.742 -1.069 9.351) 9.441 13.690 ( 7.181 -5.213 9.978) 13.353 14.080 ( -5.487 -5.291 -6.008) 9.706 15.449 ( -0.254 4.618 3.872) 6.032 16.216 ( -2.546 -0.093 -13.629) 13.865 16.540 ( 1.284 0.038 0.533) 1.390 16.669 ( 4.785 6.361 4.611) 9.199 ======================= Grid point 151 (79/172) ======================= q-point: (-0.20 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( -6.148 -0.297 9.688) 11.478 2.177 ( -5.190 -0.397 15.458) 16.311 2.313 ( 3.421 -5.849 -4.483) 8.125 2.508 ( -0.860 -0.335 -0.381) 0.999 2.761 ( -15.759 2.042 3.444) 16.260 3.017 ( 5.775 -9.628 -4.958) 12.273 3.335 ( 6.124 1.636 -8.603) 10.686 3.659 ( -6.003 0.385 3.195) 6.811 3.988 ( 4.630 8.130 -3.238) 9.901 4.754 ( 12.000 4.585 0.035) 12.846 5.382 ( 1.813 5.287 -1.367) 5.754 5.720 ( 2.980 7.169 4.520) 8.984 6.083 ( 2.812 -6.519 2.353) 7.480 7.255 ( 3.835 7.391 -2.291) 8.636 7.285 ( -8.010 -3.262 -8.195) 11.915 7.649 ( 0.419 -10.839 0.410) 10.855 8.148 ( -6.638 1.384 -0.757) 6.823 8.500 ( 1.412 -2.022 7.944) 8.318 13.829 ( -3.719 -9.139 -6.845) 12.008 13.882 ( 4.420 -4.790 5.943) 8.820 15.554 ( 0.252 4.715 5.423) 7.191 15.975 ( -5.728 -0.321 -11.615) 12.955 16.553 ( 0.922 -0.573 -0.314) 1.130 16.893 ( 7.735 9.612 5.071) 13.339 ======================= Grid point 152 (80/172) ======================= q-point: (-0.10 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.737 ( -7.078 4.042 7.773) 11.263 2.139 ( -22.588 -3.156 5.911) 23.561 2.247 ( 8.462 -5.940 -5.530) 11.725 2.550 ( 1.890 0.147 7.660) 7.891 2.704 ( -8.209 -0.639 6.418) 10.439 2.960 ( 4.245 -7.121 -0.970) 8.346 3.316 ( 8.003 1.331 -11.904) 14.406 3.633 ( -4.040 3.133 2.718) 5.790 4.071 ( 2.496 8.656 -3.679) 9.731 4.913 ( 10.467 0.283 -1.777) 10.620 5.409 ( 2.075 3.963 -2.093) 4.939 5.885 ( 2.850 5.259 4.094) 7.248 6.146 ( 5.479 -1.412 2.821) 6.322 7.016 ( -11.641 -5.451 -5.991) 14.181 7.270 ( -3.336 7.361 -4.249) 9.130 7.642 ( 5.609 -8.990 3.845) 11.272 8.059 ( -5.779 1.157 -1.021) 5.982 8.599 ( 3.646 -2.657 4.217) 6.175 13.575 ( -4.248 -8.306 -8.122) 12.369 13.974 ( 0.900 -2.656 1.990) 3.439 15.662 ( 1.130 1.633 5.222) 5.587 15.791 ( -3.555 -0.135 -4.358) 5.626 16.549 ( 0.431 -0.467 -0.869) 1.077 17.125 ( 6.861 9.140 2.608) 11.722 ======================= Grid point 155 (81/172) ======================= q-point: ( 0.20 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.789 ( 2.677 -5.419 -18.040) 19.026 1.902 ( -10.009 2.539 11.254) 15.273 2.296 ( 8.398 -3.212 -3.690) 9.719 2.449 ( -7.058 6.265 2.383) 9.733 2.835 ( 4.008 -0.935 4.163) 5.854 3.024 ( 9.791 -1.386 -2.061) 10.101 3.389 ( -3.274 -0.691 6.174) 7.022 3.609 ( -3.994 3.485 0.290) 5.309 3.959 ( -7.835 5.117 -3.207) 9.892 4.813 ( 2.868 -6.251 -5.731) 8.952 5.457 ( -0.068 4.030 -4.732) 6.216 5.710 ( -3.909 0.204 -9.150) 9.952 6.087 ( 2.306 -7.368 2.846) 8.229 6.925 ( -9.688 8.774 1.943) 13.214 7.478 ( 3.569 -0.216 12.634) 13.130 7.769 ( 1.684 -6.674 4.365) 8.151 8.167 ( 1.453 5.583 1.708) 6.017 8.387 ( 4.411 -3.124 -10.938) 12.200 13.557 ( -7.599 -0.107 -4.330) 8.746 13.630 ( 2.359 9.927 9.607) 14.014 15.691 ( 2.474 -3.727 -4.287) 6.196 16.189 ( 1.276 0.690 10.089) 10.193 16.518 ( -1.111 0.486 0.080) 1.216 16.984 ( -1.759 -4.376 -10.938) 11.912 ======================= Grid point 156 (82/172) ======================= q-point: ( 0.30 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( 2.475 -7.235 -13.836) 15.809 1.980 ( -7.764 5.625 11.338) 14.848 2.308 ( 6.183 -6.468 -3.028) 9.447 2.396 ( -6.354 5.316 -0.703) 8.314 2.855 ( -3.020 -3.453 2.176) 5.077 3.195 ( 12.272 3.009 0.279) 12.639 3.448 ( 0.993 0.409 4.704) 4.825 3.579 ( -5.624 4.280 -0.117) 7.069 3.890 ( -4.377 6.397 -0.238) 7.755 4.682 ( 0.198 -9.328 -6.986) 11.655 5.379 ( -3.608 -2.033 -6.054) 7.335 5.556 ( -1.839 5.039 -7.087) 8.888 6.173 ( 8.568 -5.086 4.395) 10.889 6.858 ( -11.334 6.493 0.586) 13.075 7.708 ( 2.885 -0.969 14.715) 15.026 7.795 ( 1.433 -4.735 3.080) 5.828 8.216 ( -0.504 2.633 -4.434) 5.182 8.291 ( 4.881 -0.201 -6.239) 7.924 13.427 ( -5.313 -1.085 -1.046) 5.523 13.892 ( 2.232 11.809 10.926) 16.243 15.618 ( 1.874 -5.708 -5.407) 8.083 16.296 ( -3.048 3.498 4.424) 6.410 16.507 ( -1.127 0.354 -0.001) 1.181 16.796 ( 1.341 -6.256 -8.747) 10.838 ======================= Grid point 157 (83/172) ======================= q-point: ( 0.40 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( 1.659 -6.248 -2.511) 6.935 2.036 ( -6.726 2.803 5.891) 9.370 2.266 ( 2.119 -7.136 -2.277) 7.785 2.440 ( 2.876 6.290 4.064) 8.022 2.787 ( -5.561 -3.616 0.420) 6.647 3.337 ( 5.260 2.420 -0.458) 5.808 3.491 ( -3.059 1.691 0.048) 3.496 3.574 ( 2.912 2.958 0.201) 4.155 3.935 ( -1.489 9.613 2.906) 10.152 4.504 ( -0.937 -10.770 -6.662) 12.698 5.204 ( -4.467 -3.676 -5.207) 7.783 5.541 ( 1.302 7.691 -4.022) 8.776 6.319 ( 9.316 -4.226 3.314) 10.753 6.751 ( -10.628 4.244 0.502) 11.455 7.791 ( -0.870 -5.494 2.545) 6.117 7.938 ( 4.525 -0.161 9.461) 10.488 8.103 ( 0.138 -1.267 -7.630) 7.735 8.325 ( 0.946 3.410 0.279) 3.550 13.374 ( -1.987 -2.478 2.666) 4.147 14.141 ( 0.976 9.861 9.105) 13.457 15.511 ( 0.335 -5.804 -5.177) 7.784 16.291 ( -3.347 4.079 -1.806) 5.577 16.495 ( -0.463 0.327 -0.408) 0.699 16.698 ( 2.117 -4.100 -4.085) 6.162 ======================= Grid point 158 (84/172) ======================= q-point: (-0.50 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( 1.302 -4.015 10.803) 11.599 2.029 ( -2.036 -0.335 1.256) 2.416 2.233 ( 0.323 -3.645 2.150) 4.244 2.612 ( 5.727 -0.287 2.304) 6.180 2.673 ( -5.185 -0.473 1.277) 5.361 3.366 ( 0.006 1.164 -2.348) 2.621 3.469 ( -1.607 2.975 -0.495) 3.417 3.617 ( 1.657 0.912 -2.226) 2.921 4.063 ( 0.596 11.758 3.638) 12.322 4.316 ( -0.912 -10.643 -6.182) 12.342 5.111 ( -0.869 0.492 -0.673) 1.204 5.573 ( 1.407 7.042 -2.828) 7.717 6.382 ( -1.418 -4.703 0.789) 4.975 6.714 ( 1.206 3.017 1.746) 3.688 7.734 ( -0.835 -5.682 -3.187) 6.568 7.931 ( -0.878 -1.999 -6.490) 6.847 8.175 ( 3.332 -0.120 9.226) 9.810 8.360 ( -1.626 2.666 2.247) 3.847 13.408 ( 1.648 -3.977 6.240) 7.581 14.280 ( -1.299 2.720 3.115) 4.335 15.431 ( -0.619 -1.071 -1.065) 1.632 16.254 ( 0.502 3.708 -4.929) 6.189 16.492 ( 0.290 0.581 -0.313) 0.721 16.649 ( -0.486 -0.831 -2.403) 2.589 ======================= Grid point 160 (85/172) ======================= q-point: (-0.40 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( 0.706 -3.058 16.575) 16.870 2.016 ( 2.812 -2.970 -1.856) 4.492 2.289 ( 0.138 0.575 6.379) 6.407 2.514 ( -4.952 -4.434 0.444) 6.661 2.801 ( 6.691 -1.057 2.621) 7.263 3.300 ( -3.026 0.872 -5.393) 6.245 3.461 ( -3.962 2.527 -0.930) 4.790 3.589 ( 1.643 1.012 -3.016) 3.581 4.083 ( -2.869 -6.750 -4.298) 8.500 4.295 ( 5.173 10.357 2.115) 11.769 5.168 ( 2.749 5.167 3.238) 6.689 5.609 ( 1.041 6.427 -1.830) 6.763 6.264 ( -8.360 -5.226 -0.080) 9.859 6.849 ( 10.038 1.603 1.903) 10.341 7.598 ( -1.537 -5.234 -7.522) 9.292 7.824 ( -3.050 -3.435 -2.440) 5.202 8.290 ( 2.537 0.400 -0.127) 2.571 8.411 ( -3.235 0.872 9.330) 9.913 13.521 ( 4.830 -5.261 9.077) 11.550 14.219 ( -4.136 -6.040 -4.164) 8.422 15.463 ( -0.673 4.877 4.047) 6.373 16.211 ( 1.579 2.671 -8.550) 9.096 16.509 ( 0.948 0.891 0.876) 1.569 16.622 ( -0.479 3.323 -0.504) 3.395 ======================= Grid point 161 (86/172) ======================= q-point: (-0.30 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.783 ( -1.725 -3.779 8.201) 9.193 2.032 ( 8.184 -6.389 -0.536) 10.396 2.343 ( -1.110 -0.494 3.590) 3.790 2.556 ( -4.156 3.637 13.467) 14.556 2.851 ( 5.542 -7.171 -2.040) 9.290 3.154 ( -6.594 1.622 -7.578) 10.175 3.335 ( -7.234 -1.426 -4.657) 8.721 3.656 ( 5.540 3.315 1.223) 6.571 3.942 ( -0.597 -3.942 -4.803) 6.242 4.502 ( 6.057 11.916 2.741) 13.645 5.313 ( 3.176 7.659 2.918) 8.790 5.663 ( 1.653 6.845 0.211) 7.045 6.119 ( -6.093 -6.194 0.604) 8.709 7.025 ( 11.200 0.112 1.132) 11.258 7.430 ( -3.067 -3.968 -6.506) 8.214 7.718 ( -4.203 -4.901 -1.484) 6.625 8.272 ( -1.365 0.038 -2.697) 3.023 8.508 ( -1.976 -0.145 8.367) 8.599 13.690 ( 6.641 -5.966 10.214) 13.566 13.999 ( -6.114 -9.943 -7.408) 13.824 15.562 ( -0.684 5.584 4.839) 7.420 16.085 ( -2.124 1.133 -11.177) 11.434 16.534 ( 0.438 -0.522 0.762) 1.022 16.720 ( 4.646 9.614 3.210) 11.150 ======================= Grid point 162 (87/172) ======================= q-point: (-0.20 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( 3.147 -5.205 -2.297) 6.501 2.092 ( 3.178 -4.299 3.185) 6.223 2.423 ( 2.080 -0.069 6.542) 6.865 2.628 ( -8.403 -4.120 5.039) 10.629 2.818 ( -0.180 -5.965 -3.459) 6.898 3.000 ( -4.508 5.075 -3.186) 7.499 3.192 ( -3.059 -0.713 -1.436) 3.453 3.731 ( 0.115 -3.364 1.867) 3.849 3.933 ( 6.085 7.446 -2.937) 10.055 4.691 ( 5.335 8.878 1.181) 10.425 5.401 ( -0.473 6.919 -1.439) 7.083 5.786 ( 4.062 8.071 3.191) 9.583 6.046 ( 0.086 -5.058 1.987) 5.435 7.123 ( 4.913 -7.383 -2.760) 9.288 7.333 ( -0.945 4.517 -0.691) 4.666 7.595 ( -4.014 -7.219 -0.844) 8.303 8.197 ( -3.498 -0.568 -2.725) 4.471 8.571 ( -1.281 -0.633 4.519) 4.740 13.724 ( -6.495 -10.278 -6.369) 13.726 13.871 ( 5.673 -4.725 7.555) 10.563 15.649 ( -0.129 3.168 3.669) 4.849 15.902 ( -3.958 0.358 -9.082) 9.914 16.540 ( 0.183 -0.482 0.185) 0.547 16.939 ( 6.720 11.602 3.934) 13.973 ======================= Grid point 163 (88/172) ======================= q-point: (-0.10 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.784 ( 9.337 -3.434 -2.920) 10.368 2.132 ( -1.962 -0.365 3.552) 4.074 2.448 ( -13.212 -1.758 2.746) 13.608 2.512 ( 2.853 -11.604 -2.370) 12.182 2.682 ( -2.997 1.606 -2.743) 4.369 2.953 ( 6.506 -2.198 -8.715) 11.095 3.253 ( -5.883 4.088 12.542) 14.443 3.709 ( -0.994 -1.172 0.016) 1.536 4.058 ( 4.388 8.909 -1.217) 10.006 4.804 ( 3.983 3.801 -0.946) 5.587 5.401 ( -0.745 5.674 -3.092) 6.505 5.923 ( 2.508 3.900 1.342) 4.827 6.109 ( 5.593 1.786 2.669) 6.449 7.010 ( -3.693 -10.206 -0.717) 10.878 7.353 ( -6.526 9.227 -3.326) 11.781 7.546 ( 6.073 -9.374 4.457) 12.026 8.109 ( -3.811 -0.346 -1.934) 4.288 8.587 ( 0.045 -1.251 0.191) 1.266 13.498 ( -5.484 -6.788 -3.868) 9.546 13.963 ( 1.360 -2.797 1.897) 3.642 15.714 ( 1.023 -0.520 4.113) 4.270 15.776 ( -1.603 0.378 -3.519) 3.886 16.538 ( -0.143 -0.132 -0.054) 0.202 17.145 ( 5.016 9.884 1.075) 11.136 ======================= Grid point 167 (89/172) ======================= q-point: ( 0.20 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( 8.319 -6.432 -16.663) 19.704 1.987 ( 13.596 -6.599 -3.603) 15.536 2.241 ( -6.918 4.883 7.184) 11.105 2.656 ( 2.264 -0.688 5.245) 5.754 2.784 ( 3.960 -0.183 0.461) 3.991 2.982 ( -6.488 2.679 4.806) 8.507 3.432 ( 0.334 0.731 -1.781) 1.954 3.687 ( -0.422 -1.473 4.122) 4.398 4.027 ( -6.080 3.932 -5.960) 9.378 4.722 ( -4.456 -0.037 -4.283) 6.180 5.460 ( -2.401 5.058 -2.511) 6.136 5.637 ( -2.442 0.308 -7.811) 8.190 6.051 ( -0.397 -7.423 2.269) 7.772 7.135 ( -8.946 10.140 -0.869) 13.550 7.580 ( 5.458 -1.995 11.209) 12.626 7.774 ( 1.690 -7.296 9.198) 11.861 8.128 ( 5.936 -3.182 -8.023) 10.475 8.205 ( 1.527 4.300 -4.013) 6.077 13.602 ( -7.052 -1.164 -2.672) 7.631 13.824 ( 2.439 9.321 11.665) 15.130 15.561 ( 2.036 -3.421 -5.604) 6.874 16.318 ( 2.348 0.583 11.167) 11.426 16.551 ( -1.627 0.577 1.194) 2.099 16.820 ( -4.100 -2.749 -14.400) 15.223 ======================= Grid point 168 (90/172) ======================= q-point: ( 0.30 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( 5.658 -5.124 -2.891) 8.162 2.041 ( 10.798 -9.267 -2.702) 14.484 2.307 ( -6.036 6.473 7.647) 11.697 2.539 ( -12.267 0.023 -1.298) 12.336 2.967 ( -6.222 2.534 3.850) 7.744 3.009 ( 17.295 0.358 0.732) 17.315 3.473 ( 1.139 1.699 2.518) 3.244 3.655 ( -4.374 -1.900 -2.304) 5.296 3.964 ( -0.103 6.004 -1.142) 6.112 4.573 ( -5.567 -3.227 -5.342) 8.363 5.351 ( -6.082 -3.089 -4.901) 8.400 5.558 ( -2.141 7.795 -3.603) 8.850 6.090 ( 6.037 -5.534 4.180) 9.195 7.058 ( -10.559 7.542 -1.228) 13.034 7.748 ( 5.852 -2.326 4.129) 7.530 7.850 ( -0.088 -6.910 6.427) 9.437 8.044 ( 4.007 -1.255 -5.956) 7.287 8.271 ( 3.037 3.537 1.219) 4.818 13.484 ( -5.798 -2.538 0.566) 6.354 14.081 ( 3.123 7.977 9.469) 12.769 15.486 ( 1.296 -3.808 -4.170) 5.794 16.433 ( -4.654 3.863 2.930) 6.720 16.539 ( -3.990 0.543 -3.137) 5.104 16.602 ( 4.229 -3.879 -5.404) 7.883 ======================= Grid point 169 (91/172) ======================= q-point: ( 0.40 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( 2.282 -2.651 11.336) 11.863 2.081 ( 7.848 -6.980 -0.073) 10.503 2.269 ( -11.185 0.254 0.240) 11.190 2.493 ( 1.708 2.536 3.909) 4.963 2.901 ( -10.153 -0.039 1.852) 10.320 3.234 ( 12.297 1.649 -0.380) 12.412 3.472 ( -0.201 -2.779 -3.472) 4.451 3.588 ( -1.198 3.928 -0.962) 4.217 4.050 ( 2.122 7.358 2.420) 8.031 4.390 ( -5.806 -4.911 -5.257) 9.244 5.192 ( -4.954 -2.658 -2.283) 6.068 5.570 ( -1.465 9.338 -1.751) 9.613 6.208 ( 8.591 -4.107 3.338) 10.090 6.939 ( -11.853 4.181 -0.505) 12.579 7.745 ( 0.347 -7.462 -4.568) 8.756 7.871 ( 5.553 0.164 -3.147) 6.385 8.093 ( 2.019 -1.613 6.084) 6.609 8.359 ( 1.686 2.138 3.905) 4.761 13.429 ( -3.088 -3.819 3.874) 6.256 14.255 ( 2.916 1.563 3.672) 4.943 15.442 ( -0.203 -0.661 0.021) 0.692 16.316 ( -4.062 2.309 -8.365) 9.582 16.493 ( -0.135 0.858 -0.946) 1.284 16.636 ( 0.446 0.819 1.795) 2.022 ======================= Grid point 170 (92/172) ======================= q-point: ( 0.50 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( 0.361 -1.162 17.005) 17.048 2.093 ( -6.609 -3.166 0.735) 7.365 2.200 ( 5.727 -2.356 2.925) 6.849 2.597 ( 2.736 1.309 2.420) 3.881 2.767 ( -8.158 -4.425 1.644) 9.426 3.320 ( 2.362 1.699 -4.027) 4.969 3.438 ( 4.394 -0.870 -2.470) 5.115 3.582 ( -1.062 3.525 -3.061) 4.788 4.119 ( 0.920 -6.418 -3.778) 7.504 4.268 ( -3.532 9.369 2.023) 10.215 5.144 ( -1.100 2.076 1.871) 3.003 5.604 ( -1.065 8.630 -1.227) 8.782 6.322 ( 6.468 -3.549 1.436) 7.516 6.811 ( -9.227 1.233 0.875) 9.351 7.607 ( 1.012 -6.782 -7.966) 10.511 7.876 ( -0.144 -0.710 -1.234) 1.431 8.183 ( 4.430 -1.090 1.429) 4.781 8.459 ( 0.004 1.070 7.171) 7.250 13.449 ( 0.365 -5.105 6.990) 8.663 14.269 ( 0.756 -6.378 -2.354) 6.840 15.483 ( -0.805 4.241 4.510) 6.243 16.193 ( -0.292 2.950 -8.733) 9.222 16.494 ( 0.060 1.222 0.176) 1.236 16.653 ( -1.845 3.414 0.110) 3.882 ======================= Grid point 171 (93/172) ======================= q-point: (-0.40 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.820 ( 0.620 -1.709 14.463) 14.577 1.948 ( -4.904 -8.528 -3.380) 10.402 2.343 ( 2.359 2.320 5.500) 6.418 2.654 ( -2.115 2.454 9.223) 9.776 2.718 ( 2.892 -7.565 0.481) 8.113 3.243 ( -2.007 1.238 -8.798) 9.108 3.484 ( 5.589 0.946 -0.710) 5.712 3.520 ( -3.423 1.516 -4.781) 6.072 3.955 ( -0.772 -9.999 -6.161) 11.770 4.421 ( 0.529 15.002 5.017) 15.827 5.234 ( 2.309 6.510 4.286) 8.130 5.640 ( -0.479 7.734 -1.048) 7.819 6.320 ( -4.187 -3.449 -0.565) 5.454 6.783 ( 2.585 -1.737 2.549) 4.024 7.465 ( 0.435 -5.935 -6.787) 9.026 7.828 ( -3.441 -1.980 -0.564) 4.010 8.225 ( 3.998 -1.325 -2.209) 4.756 8.562 ( -0.994 1.090 7.260) 7.408 13.546 ( 3.674 -6.119 9.422) 11.820 14.133 ( -3.072 -10.543 -4.695) 11.943 15.582 ( -0.697 5.355 4.953) 7.328 16.098 ( 0.667 2.957 -9.862) 10.317 16.519 ( 0.700 0.523 1.379) 1.632 16.670 ( -1.108 7.826 0.410) 7.914 ======================= Grid point 172 (94/172) ======================= q-point: (-0.30 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.739 ( -2.288 -13.042 -6.354) 14.687 1.999 ( 2.769 -2.022 10.566) 11.109 2.419 ( -1.010 0.275 4.795) 4.908 2.663 ( 1.455 -7.234 -4.343) 8.562 2.877 ( -0.576 5.847 14.765) 15.891 3.066 ( -2.103 1.022 -11.743) 11.973 3.387 ( -7.389 -1.178 -3.240) 8.153 3.585 ( 8.028 -1.158 1.139) 8.191 3.826 ( 2.129 -3.328 -4.988) 6.363 4.616 ( 0.995 14.827 4.500) 15.527 5.384 ( 2.056 8.353 3.045) 9.125 5.696 ( 1.818 7.771 -0.170) 7.982 6.182 ( -8.607 -4.036 -0.576) 9.523 6.882 ( 9.217 -5.233 2.291) 10.844 7.354 ( -0.022 -4.140 -3.451) 5.390 7.742 ( -5.447 -2.480 -0.595) 6.015 8.214 ( 2.083 -2.297 -3.196) 4.453 8.633 ( -2.197 1.670 4.492) 5.272 13.698 ( 5.690 -6.467 10.275) 13.408 13.919 ( -6.520 -10.789 -4.261) 13.306 15.662 ( -0.669 3.303 3.047) 4.543 15.975 ( -1.121 2.094 -10.688) 10.949 16.540 ( -0.043 -0.473 0.988) 1.096 16.790 ( 3.511 12.288 2.948) 13.116 ======================= Grid point 173 (95/172) ======================= q-point: (-0.20 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( 4.744 -13.564 -7.265) 16.102 2.151 ( 2.163 -2.030 9.053) 9.527 2.413 ( 2.052 -10.987 -4.981) 12.237 2.588 ( -1.716 3.759 -0.327) 4.145 2.785 ( -1.572 -1.653 -15.182) 15.352 3.069 ( -12.061 -0.607 7.162) 14.041 3.346 ( -0.070 5.814 8.296) 10.131 3.639 ( 6.019 -8.277 -2.013) 10.431 3.883 ( 6.870 7.823 0.895) 10.450 4.780 ( -0.844 12.683 2.991) 13.058 5.460 ( -2.153 7.593 -1.120) 7.971 5.818 ( 5.010 8.374 1.014) 9.810 6.058 ( -3.857 -3.361 0.653) 5.158 6.960 ( 6.689 -10.193 0.965) 12.230 7.336 ( 3.071 -1.031 1.738) 3.676 7.627 ( -7.305 -1.917 -1.115) 7.634 8.164 ( 0.111 -3.069 -2.967) 4.270 8.644 ( -3.367 2.072 0.437) 3.977 13.689 ( -8.351 -9.172 -1.920) 12.552 13.861 ( 5.398 -4.888 7.538) 10.481 15.704 ( -0.177 0.516 2.265) 2.330 15.830 ( -1.828 1.238 -8.569) 8.849 16.546 ( -0.376 -0.081 0.712) 0.810 16.997 ( 5.541 12.640 2.696) 14.062 ======================= Grid point 174 (96/172) ======================= q-point: (-0.10 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( 13.882 -9.585 -5.180) 17.647 2.191 ( 5.347 -13.765 -15.548) 21.443 2.265 ( -2.999 2.046 4.641) 5.892 2.559 ( -4.582 -1.199 -5.387) 7.173 2.638 ( 6.509 -1.965 -4.170) 7.976 2.964 ( -14.238 -0.801 9.547) 17.162 3.523 ( -1.947 2.294 9.530) 9.994 3.628 ( 4.961 -0.474 -3.831) 6.285 4.064 ( 5.285 7.622 2.574) 9.626 4.858 ( -4.051 8.781 1.081) 9.731 5.437 ( -3.790 6.653 -3.220) 8.306 5.911 ( 2.259 1.923 -1.724) 3.432 6.095 ( 4.846 4.687 1.857) 6.993 6.955 ( 2.327 -11.697 4.423) 12.720 7.448 ( 7.135 -2.128 4.636) 8.771 7.489 ( -8.947 0.846 -2.135) 9.237 8.100 ( -0.773 -2.871 -1.907) 3.532 8.586 ( -3.515 1.697 -4.190) 5.726 13.516 ( -7.084 -4.852 0.801) 8.624 13.948 ( 1.427 -2.808 1.935) 3.697 15.731 ( -0.086 0.886 -4.174) 4.267 15.750 ( 1.575 -2.689 4.399) 5.391 16.550 ( -0.639 0.371 0.728) 1.037 17.168 ( 3.557 10.111 -0.725) 10.743 ======================= Grid point 177 (97/172) ======================= q-point: ( 0.20 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( 11.029 -5.624 -1.282) 12.447 1.639 ( 18.141 -8.759 -5.397) 20.855 2.350 ( 20.643 -6.221 3.234) 21.801 2.497 ( -1.027 2.983 5.339) 6.202 2.975 ( -15.066 3.322 -0.297) 15.431 3.142 ( -5.534 1.140 -0.878) 5.718 3.392 ( 7.425 0.651 3.875) 8.401 3.723 ( -3.659 -1.571 2.749) 4.839 4.024 ( -4.743 3.257 -8.877) 10.578 4.824 ( -12.236 4.616 -1.062) 13.121 5.516 ( -5.676 1.012 -2.673) 6.356 5.587 ( 0.900 4.690 -2.219) 5.266 6.046 ( -2.743 -5.948 1.518) 6.724 7.282 ( -5.745 10.616 -4.900) 13.028 7.572 ( 6.190 -4.045 3.004) 7.981 7.871 ( -1.009 -10.450 1.717) 10.638 7.910 ( 5.478 -0.930 5.328) 7.698 8.162 ( 5.033 3.525 -1.288) 6.278 13.662 ( -6.867 -2.596 -0.078) 7.342 13.993 ( 3.147 5.906 8.691) 10.969 15.453 ( 1.029 -1.572 -3.422) 3.903 16.386 ( 5.945 -1.742 3.042) 6.901 16.570 ( -1.416 0.149 -2.351) 2.749 16.738 ( -8.632 2.514 -5.361) 10.468 ======================= Grid point 178 (98/172) ======================= q-point: ( 0.30 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( 6.919 -2.690 15.197) 16.913 1.741 ( 16.255 -7.923 -3.174) 18.360 2.491 ( -1.693 1.415 5.180) 5.630 2.645 ( -6.747 -2.680 -5.105) 8.875 2.762 ( 14.002 1.166 -1.694) 14.152 3.151 ( -6.898 3.766 5.585) 9.641 3.555 ( -4.045 2.770 2.740) 5.617 3.593 ( 1.355 -6.265 -3.895) 7.500 3.951 ( 1.796 5.822 -3.925) 7.247 4.659 ( -13.271 2.676 -1.641) 13.637 5.357 ( -6.845 -3.685 -3.117) 8.376 5.636 ( -2.401 9.274 0.334) 9.586 6.042 ( 2.845 -4.322 3.364) 6.172 7.211 ( -7.044 8.321 -3.882) 11.573 7.667 ( 8.512 -0.565 -3.346) 9.163 7.715 ( 1.493 -10.003 -4.767) 11.181 8.066 ( 0.314 -2.423 7.741) 8.118 8.277 ( 4.195 1.704 5.335) 6.998 13.560 ( -6.285 -3.988 2.270) 7.782 14.149 ( 4.455 0.240 2.601) 5.165 15.443 ( 0.126 0.776 1.506) 1.698 16.335 ( 4.032 -2.490 -14.795) 15.536 16.526 ( -2.661 1.480 0.789) 3.145 16.706 ( -6.107 5.115 6.513) 10.289 ======================= Grid point 179 (99/172) ======================= q-point: ( 0.40 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.585 ( 2.374 -0.852 19.736) 19.897 1.893 ( 14.123 -2.369 2.682) 14.569 2.384 ( -10.950 -3.197 -5.048) 12.474 2.542 ( 0.162 0.295 3.041) 3.060 3.004 ( 12.607 -0.185 -3.130) 12.992 3.092 ( -7.519 -2.793 2.447) 8.386 3.384 ( -0.288 -1.731 -5.792) 6.052 3.664 ( -3.497 5.176 2.159) 6.609 4.004 ( 6.370 1.204 -3.068) 7.172 4.490 ( -12.152 4.388 -0.097) 12.920 5.229 ( -5.066 -1.753 0.101) 5.362 5.673 ( -3.710 9.919 0.329) 10.595 6.122 ( 6.180 -2.905 2.810) 7.384 7.112 ( -10.052 4.675 -1.308) 11.162 7.544 ( 3.129 -8.571 -9.341) 13.058 7.784 ( 7.058 0.030 0.035) 7.058 8.112 ( 0.567 -2.638 2.096) 3.417 8.420 ( 2.397 0.220 7.628) 7.999 13.500 ( -3.906 -5.202 4.518) 7.920 14.189 ( 4.615 -5.826 -2.050) 7.710 15.505 ( -0.799 3.561 5.292) 6.428 16.174 ( 2.705 0.199 -13.241) 13.516 16.515 ( -1.635 1.029 0.440) 1.982 16.749 ( -5.672 6.373 4.145) 9.485 ======================= Grid point 180 (100/172) ======================= q-point: ( 0.50 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.808 ( 1.073 -1.104 10.766) 10.876 2.155 ( -0.850 0.619 2.479) 2.693 2.194 ( 0.709 -2.227 8.884) 9.186 2.586 ( 2.721 -0.845 0.933) 2.998 2.829 ( -7.218 -8.747 -2.844) 11.692 3.200 ( 9.855 -1.681 -2.246) 10.246 3.333 ( 0.645 2.367 -5.344) 5.880 3.643 ( -6.089 5.446 -0.299) 8.174 3.970 ( 0.919 -7.744 -6.033) 9.860 4.469 ( -4.770 12.586 4.402) 14.161 5.210 ( -1.010 2.518 2.789) 3.891 5.699 ( -3.743 9.396 -0.142) 10.115 6.223 ( 7.037 -2.192 1.394) 7.501 6.978 ( -12.164 0.472 0.970) 12.212 7.409 ( 3.558 -7.911 -7.512) 11.475 7.854 ( 3.215 0.242 -0.512) 3.264 8.115 ( 2.333 -2.984 -0.784) 3.868 8.547 ( 1.810 0.355 6.502) 6.759 13.502 ( -0.425 -6.311 6.911) 9.368 14.142 ( 2.294 -9.066 -2.746) 9.746 15.601 ( -0.826 4.213 5.362) 6.869 16.054 ( 2.898 1.918 -11.654) 12.161 16.515 ( -0.565 0.636 0.923) 1.255 16.766 ( -5.821 8.445 1.852) 10.423 ======================= Grid point 181 (101/172) ======================= q-point: (-0.40 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.854 ( -3.047 -6.926 -3.589) 8.375 2.031 ( -6.311 -5.174 8.597) 11.854 2.412 ( 1.907 -2.597 4.294) 5.368 2.616 ( 2.012 0.177 -0.571) 2.099 2.810 ( 4.599 1.045 11.067) 12.031 3.141 ( -3.454 -0.766 -10.877) 11.438 3.325 ( 8.728 -2.100 -4.872) 10.214 3.603 ( -6.808 3.130 1.924) 7.736 3.813 ( -1.090 -6.627 -5.822) 8.888 4.617 ( -1.036 15.098 5.425) 16.077 5.306 ( 2.915 6.161 3.649) 7.731 5.714 ( -3.053 8.602 -1.066) 9.189 6.293 ( 3.393 -1.875 -0.312) 3.889 6.840 ( -8.472 -4.120 2.727) 9.808 7.317 ( 2.863 -6.177 -4.320) 8.063 7.855 ( -1.880 -1.100 -0.005) 2.179 8.114 ( 4.264 -3.100 -2.617) 5.886 8.648 ( 1.214 1.608 4.035) 4.510 13.578 ( 3.012 -6.996 9.058) 11.835 14.042 ( -1.994 -9.934 -1.187) 10.201 15.679 ( -0.640 2.759 3.241) 4.304 15.954 ( 2.523 2.752 -11.518) 12.108 16.533 ( 0.347 -0.116 1.365) 1.413 16.796 ( -3.956 11.530 1.650) 12.301 ======================= Grid point 182 (102/172) ======================= q-point: (-0.30 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.591 ( -6.948 -14.991 -7.391) 18.100 2.086 ( 0.596 -9.167 8.283) 12.369 2.385 ( 1.290 -6.428 -2.851) 7.149 2.618 ( -0.703 5.130 -5.810) 7.783 2.900 ( -4.785 -1.488 -11.046) 12.130 3.124 ( 5.871 8.406 13.618) 17.046 3.373 ( 6.686 -2.170 -1.063) 7.109 3.514 ( -5.351 -8.337 -0.377) 9.913 3.761 ( 1.273 4.788 0.707) 5.005 4.798 ( -0.462 15.063 4.894) 15.845 5.452 ( 3.267 7.607 2.258) 8.582 5.733 ( -0.228 8.262 -1.760) 8.451 6.248 ( -5.800 -2.099 -1.475) 6.342 6.791 ( 1.619 -8.464 3.982) 9.493 7.276 ( 2.247 -4.205 -0.664) 4.813 7.797 ( -4.903 -1.695 0.120) 5.189 8.105 ( 3.909 -3.771 -2.990) 6.200 8.706 ( -0.406 3.354 0.526) 3.419 13.711 ( 5.190 -6.709 9.738) 12.914 13.907 ( -6.653 -9.249 0.991) 11.436 15.715 ( -0.550 0.504 1.687) 1.844 15.844 ( 1.119 2.729 -11.424) 11.799 16.552 ( 0.075 -0.322 1.189) 1.234 16.897 ( 0.668 13.416 2.104) 13.597 ======================= Grid point 183 (103/172) ======================= q-point: (-0.20 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.302 ( -1.027 -17.530 -6.671) 18.785 2.045 ( 5.135 -20.177 -5.713) 21.590 2.278 ( -0.783 1.181 -11.477) 11.564 2.521 ( 1.142 -1.057 -4.809) 5.055 2.768 ( -7.032 3.378 -0.114) 7.802 3.322 ( -10.342 -1.958 5.336) 11.801 3.409 ( 7.821 -7.197 1.810) 10.781 3.482 ( 5.323 8.361 3.484) 10.506 3.914 ( 4.883 7.987 6.149) 11.200 4.956 ( -2.055 13.721 3.791) 14.383 5.532 ( -1.406 6.999 -1.010) 7.209 5.808 ( 4.754 7.703 -1.797) 9.228 6.112 ( -7.101 -1.766 -0.783) 7.359 6.828 ( 5.468 -11.746 5.036) 13.901 7.299 ( 3.662 -3.293 2.520) 5.532 7.707 ( -6.661 -0.483 -0.345) 6.688 8.078 ( 2.457 -4.672 -2.357) 5.781 8.693 ( -3.061 4.974 -4.055) 7.110 13.753 ( -9.346 -6.701 2.264) 11.721 13.858 ( 4.413 -5.460 7.961) 10.615 15.721 ( 1.098 0.097 -4.906) 5.028 15.739 ( -0.395 -0.152 -1.809) 1.858 16.565 ( -0.397 0.253 1.176) 1.266 17.056 ( 3.834 12.813 0.622) 13.388 ======================= Grid point 184 (104/172) ======================= q-point: (-0.10 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( 11.239 -14.496 -4.007) 18.775 1.761 ( 3.656 -11.178 -23.729) 26.483 2.123 ( 10.185 -14.971 -11.100) 21.239 2.536 ( -4.603 1.711 6.018) 7.767 2.707 ( -5.093 2.589 1.278) 5.855 3.221 ( -4.103 -7.979 3.100) 9.493 3.483 ( -0.240 -1.438 6.810) 6.965 3.679 ( 3.196 12.997 0.551) 13.395 4.111 ( 3.365 6.937 4.135) 8.749 5.041 ( -6.378 11.067 2.448) 13.006 5.513 ( -5.162 6.556 -2.509) 8.713 5.846 ( 2.042 0.230 -4.680) 5.111 6.101 ( 2.908 5.685 0.857) 6.443 6.902 ( 5.736 -12.545 10.364) 17.254 7.376 ( 5.493 -5.930 3.616) 8.855 7.610 ( -7.499 3.495 -0.942) 8.326 8.041 ( 1.527 -4.928 -1.239) 5.306 8.583 ( -5.442 5.253 -9.735) 12.328 13.628 ( -8.713 -2.903 3.953) 9.998 13.937 ( 1.025 -3.007 2.411) 3.989 15.649 ( 1.670 1.636 -7.082) 7.458 15.783 ( 2.136 -5.229 8.276) 10.020 16.578 ( -0.763 0.786 1.234) 1.650 17.181 ( 2.592 10.326 -3.162) 11.106 ======================= Grid point 187 (105/172) ======================= q-point: ( 0.20 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( 9.834 -4.563 22.150) 24.660 1.242 ( 20.088 -9.359 -3.776) 22.480 1.985 ( 28.835 -6.699 4.539) 29.949 2.643 ( -4.481 0.349 4.588) 6.422 2.979 ( -6.246 -1.179 -19.127) 20.156 3.209 ( 8.339 -1.934 4.162) 9.519 3.408 ( -2.844 6.468 10.024) 12.264 3.838 ( -10.901 -3.589 -5.691) 12.810 4.021 ( -4.987 7.969 -2.503) 9.728 5.043 ( -14.191 4.665 -0.105) 14.939 5.526 ( -4.397 -0.428 -3.081) 5.386 5.654 ( 0.017 4.700 4.779) 6.703 6.075 ( -4.338 -2.549 0.561) 5.062 7.267 ( 2.653 6.327 -14.203) 15.774 7.440 ( 7.918 -1.702 -3.085) 8.667 7.719 ( -1.799 -7.901 -2.820) 8.580 8.037 ( 3.563 -1.534 2.351) 4.536 8.182 ( 0.477 0.573 17.966) 17.982 13.744 ( -6.876 -4.188 1.973) 8.289 14.035 ( 3.760 -0.422 0.933) 3.897 15.438 ( 0.155 1.933 2.474) 3.143 16.174 ( 6.993 -3.087 -14.518) 16.407 16.593 ( -2.153 0.637 0.088) 2.247 16.908 ( -7.829 6.301 6.240) 11.829 ======================= Grid point 188 (106/172) ======================= q-point: ( 0.30 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.397 ( 15.954 -4.634 3.149) 16.910 1.505 ( 9.486 -0.528 23.658) 25.495 2.365 ( 23.227 -3.428 3.438) 23.729 2.606 ( -4.183 -4.415 -4.039) 7.301 2.689 ( -4.823 1.623 -6.703) 8.416 3.355 ( 1.433 3.393 5.174) 6.351 3.456 ( -8.993 -6.424 -5.881) 12.519 3.610 ( 2.971 2.581 -1.706) 4.289 3.995 ( -6.075 8.519 -1.284) 10.541 4.867 ( -14.765 2.942 -0.986) 15.087 5.402 ( -7.338 -2.751 -0.204) 7.839 5.754 ( -1.179 6.651 3.471) 7.594 6.043 ( -0.880 -0.169 1.472) 1.723 7.195 ( 5.532 4.246 -10.832) 12.883 7.495 ( 4.083 2.299 -5.017) 6.865 7.602 ( 0.378 -10.198 0.574) 10.221 8.091 ( 2.516 -1.482 1.174) 3.147 8.380 ( -0.911 -1.097 12.516) 12.597 13.640 ( -6.042 -5.911 1.846) 8.651 14.054 ( 4.896 -4.577 -2.835) 7.277 15.523 ( -0.495 3.444 6.292) 7.190 16.043 ( 6.553 -1.373 -14.623) 16.083 16.567 ( -1.974 0.294 -0.214) 2.007 16.945 ( -8.218 7.914 5.966) 12.875 ======================= Grid point 189 (107/172) ======================= q-point: ( 0.40 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.621 ( 13.900 0.478 2.705) 14.169 1.963 ( 5.852 2.537 25.622) 26.404 2.377 ( -5.015 -4.453 -7.254) 9.879 2.557 ( 0.807 -3.891 1.885) 4.399 2.746 ( 15.321 1.776 -2.547) 15.632 3.109 ( -8.020 -12.601 -9.464) 17.683 3.421 ( -6.506 6.769 1.707) 9.542 3.717 ( 6.232 -0.749 0.612) 6.307 3.953 ( -4.730 7.505 -3.033) 9.375 4.700 ( -11.674 4.508 0.360) 12.519 5.306 ( -6.070 -0.829 2.035) 6.455 5.813 ( -3.668 7.964 1.726) 8.936 6.078 ( 2.748 0.575 1.111) 3.019 7.176 ( 4.274 2.422 -5.995) 7.750 7.376 ( -6.625 -7.117 -2.635) 10.074 7.650 ( 9.887 -0.980 -2.259) 10.189 8.110 ( 0.048 -2.535 1.262) 2.832 8.500 ( 0.544 -1.254 7.541) 7.664 13.555 ( -2.978 -7.222 2.609) 8.236 14.041 ( 4.420 -5.563 -2.179) 7.432 15.627 ( -0.975 3.011 6.183) 6.946 15.939 ( 5.413 0.086 -12.075) 13.233 16.543 ( -1.333 0.031 -0.047) 1.334 16.963 ( -8.233 9.099 3.400) 12.733 ======================= Grid point 190 (108/172) ======================= q-point: ( 0.50 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.822 ( 6.929 2.233 2.201) 7.606 2.173 ( -2.427 -2.319 -2.430) 4.144 2.399 ( -0.699 -2.882 18.083) 18.325 2.551 ( 2.865 -1.622 2.582) 4.184 2.726 ( -0.188 -6.454 -8.871) 10.972 3.013 ( 10.698 -3.175 0.536) 11.173 3.313 ( -6.958 2.223 -9.124) 11.687 3.749 ( -0.496 -3.742 1.022) 3.911 3.893 ( -6.251 5.517 -2.212) 8.626 4.678 ( -3.910 10.492 3.348) 11.687 5.287 ( -2.456 2.269 2.894) 4.422 5.830 ( -4.738 8.241 -0.003) 9.506 6.145 ( 5.022 0.635 0.111) 5.063 7.163 ( -10.649 1.550 1.738) 10.901 7.197 ( 4.209 -10.631 -4.378) 12.244 7.743 ( 9.503 0.278 -3.283) 10.058 8.088 ( -1.784 -3.647 0.996) 4.180 8.589 ( 2.308 -0.070 3.724) 4.381 13.531 ( 0.738 -7.914 5.090) 9.438 14.028 ( 2.456 -5.666 -0.309) 6.183 15.702 ( -1.071 1.833 3.962) 4.495 15.858 ( 4.230 1.021 -10.311) 11.192 16.534 ( -0.397 -0.143 0.511) 0.663 16.964 ( -7.673 10.629 1.578) 13.204 ======================= Grid point 191 (109/172) ======================= q-point: (-0.40 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.790 ( -5.322 -5.939 -6.375) 10.210 2.167 ( -4.036 -5.310 6.097) 9.036 2.314 ( 1.642 -12.711 -1.800) 12.942 2.624 ( 0.814 4.973 -3.849) 6.341 2.825 ( 7.303 -1.169 1.042) 7.470 3.114 ( 5.229 0.081 -6.034) 7.985 3.132 ( -0.124 2.081 5.113) 5.522 3.657 ( -3.585 -7.856 -2.880) 9.103 3.859 ( -7.515 7.857 3.534) 11.433 4.810 ( -0.010 13.707 4.410) 14.399 5.349 ( 2.140 4.622 2.199) 5.548 5.816 ( -4.675 7.970 -1.933) 9.440 6.217 ( 5.307 0.386 -0.785) 5.379 6.978 ( -11.421 -9.163 2.903) 14.928 7.199 ( 3.025 -2.658 -0.049) 4.027 7.811 ( 6.248 -0.498 -2.606) 6.788 8.039 ( -1.513 -4.319 0.053) 4.577 8.661 ( 3.155 2.021 0.186) 3.751 13.590 ( 3.816 -8.003 8.016) 11.953 14.006 ( -0.574 -5.712 1.578) 5.953 15.731 ( -0.528 0.940 0.117) 1.085 15.785 ( 2.407 1.162 -8.028) 8.462 16.544 ( 0.348 -0.240 1.046) 1.128 16.976 ( -5.652 12.193 0.620) 13.453 ======================= Grid point 192 (110/172) ======================= q-point: (-0.30 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.497 ( -10.443 -13.094 -8.018) 18.569 1.982 ( -1.619 -23.374 -3.298) 23.661 2.364 ( -4.416 1.431 -8.192) 9.416 2.467 ( 2.539 -1.119 -7.603) 8.093 2.818 ( 5.012 2.324 -4.092) 6.875 3.200 ( 7.548 -4.921 0.930) 9.058 3.368 ( 1.430 11.697 13.816) 18.159 3.509 ( -3.298 -5.636 -1.166) 6.634 3.897 ( -4.716 7.268 5.809) 10.431 4.980 ( -0.014 14.108 4.185) 14.716 5.461 ( 5.245 5.389 0.328) 7.527 5.783 ( -3.047 7.656 -3.614) 8.998 6.251 ( 0.893 0.009 -1.660) 1.885 6.825 ( -7.381 -11.391 6.163) 14.907 7.225 ( 1.992 -2.771 2.115) 4.015 7.823 ( 0.117 -1.539 -0.923) 1.799 7.994 ( 1.597 -4.534 -1.331) 4.987 8.703 ( 2.431 4.766 -3.955) 6.654 13.715 ( 5.265 -7.090 9.369) 12.875 13.963 ( -4.276 -5.516 3.374) 7.752 15.677 ( 1.733 2.722 -10.135) 10.636 15.756 ( -0.954 -2.150 2.090) 3.146 16.565 ( 0.416 -0.020 1.361) 1.423 17.024 ( -1.908 12.908 -0.446) 13.056 ======================= Grid point 193 (111/172) ======================= q-point: (-0.20 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( -8.420 -18.751 -6.000) 21.412 1.704 ( 0.799 -20.103 -13.827) 24.412 1.960 ( 0.119 -11.633 -23.889) 26.571 2.600 ( 0.183 2.543 10.482) 10.787 2.818 ( -0.315 2.647 -4.258) 5.023 3.188 ( 2.606 -12.656 -3.815) 13.473 3.506 ( 1.749 9.695 4.838) 10.975 3.649 ( -2.113 7.351 11.932) 14.173 4.016 ( 1.986 8.175 5.356) 9.973 5.132 ( -1.047 12.963 3.374) 13.435 5.551 ( 3.148 4.476 -1.872) 5.783 5.776 ( 1.653 6.796 -4.280) 8.200 6.186 ( -6.166 0.080 -1.373) 6.317 6.791 ( -0.007 -13.161 10.293) 16.709 7.266 ( 2.502 -3.550 2.973) 5.263 7.774 ( -4.077 -0.870 -0.269) 4.178 7.973 ( 3.166 -5.163 -1.294) 6.194 8.679 ( -0.370 8.001 -9.613) 12.513 13.841 ( 1.008 -3.445 5.564) 6.622 13.906 ( -4.900 -5.720 6.098) 9.691 15.586 ( 2.310 2.373 -9.415) 9.981 15.767 ( -0.674 -5.064 5.753) 7.694 16.589 ( 0.007 0.528 1.495) 1.585 17.105 ( 1.778 12.446 -2.624) 12.843 ======================= Grid point 194 (112/172) ======================= q-point: (-0.10 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.883 ( 3.709 -20.089 -1.821) 20.510 1.285 ( 0.888 -10.046 -29.452) 31.131 1.655 ( 10.998 -24.179 -12.315) 29.278 2.707 ( -6.306 -0.557 3.555) 7.261 2.804 ( 0.083 2.756 7.213) 7.722 3.066 ( 3.751 -12.666 -3.573) 13.685 3.692 ( 3.597 12.796 0.396) 13.298 3.784 ( -7.261 7.126 10.181) 14.393 4.165 ( 2.597 7.470 0.532) 7.927 5.232 ( -3.886 11.123 2.057) 11.961 5.583 ( -0.022 5.017 -1.097) 5.136 5.750 ( -0.934 -0.295 -6.498) 6.571 6.134 ( -0.815 4.758 0.394) 4.843 6.909 ( 5.710 -13.676 18.272) 23.527 7.311 ( 3.529 -5.238 2.266) 6.710 7.709 ( -5.216 1.715 -0.190) 5.494 7.959 ( 2.598 -5.827 -0.304) 6.387 8.530 ( -5.027 9.630 -18.189) 21.186 13.790 ( -8.696 -0.235 2.966) 9.191 13.942 ( 0.232 -3.734 3.443) 5.085 15.530 ( 3.049 1.821 -6.943) 7.799 15.842 ( 2.098 -8.168 12.839) 15.361 16.611 ( -0.499 1.038 1.266) 1.712 17.168 ( 2.048 10.805 -6.504) 12.776 ======================= Grid point 228 (113/172) ======================= q-point: ( 0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( -0.000 0.000 12.316) 12.316 1.298 ( -0.000 0.000 12.316) 12.316 2.791 ( -0.000 0.000 14.585) 14.585 2.901 ( 0.000 0.000 1.496) 1.496 2.901 ( 0.000 -0.000 1.496) 1.496 3.171 ( 0.000 -0.000 -28.727) 28.727 3.231 ( -0.000 0.000 10.554) 10.554 3.424 ( 0.000 -0.000 -5.297) 5.297 3.424 ( 0.000 -0.000 -5.297) 5.297 5.379 ( 0.000 -0.000 -3.712) 3.712 5.659 ( 0.000 -0.000 -6.619) 6.619 5.659 ( 0.000 -0.000 -6.619) 6.619 6.362 ( -0.000 0.000 3.646) 3.646 6.362 ( -0.000 -0.000 3.646) 3.646 7.240 ( -0.000 0.000 7.027) 7.027 7.884 ( -0.000 0.000 2.723) 2.723 7.884 ( -0.000 0.000 2.723) 2.723 8.889 ( 0.000 -0.000 -9.269) 9.269 13.390 ( 0.000 -0.000 -3.115) 3.115 13.390 ( 0.000 -0.000 -3.115) 3.115 15.930 ( -0.000 0.000 4.359) 4.359 15.930 ( -0.000 0.000 4.359) 4.359 16.508 ( 0.000 -0.000 -1.205) 1.205 17.334 ( 0.000 -0.000 -5.833) 5.833 ======================= Grid point 229 (114/172) ======================= q-point: ( 0.30 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( 0.248 4.760 11.507) 12.455 1.580 ( 11.020 2.983 8.923) 14.490 2.662 ( -6.192 -6.181 -21.968) 23.646 2.759 ( -12.139 -0.886 -1.163) 12.226 2.968 ( 3.036 -0.883 8.244) 8.830 3.081 ( 3.637 -2.879 -2.685) 5.360 3.268 ( -3.883 3.601 1.835) 5.605 3.359 ( 2.838 -0.375 4.466) 5.305 3.552 ( 10.296 5.638 -1.996) 11.908 5.261 ( -6.082 -3.240 -5.167) 8.614 5.501 ( -1.300 -2.319 -8.621) 9.022 5.643 ( 5.429 3.961 -8.578) 10.897 6.340 ( -5.993 -1.310 3.828) 7.231 6.488 ( 5.915 1.994 3.835) 7.326 7.364 ( -0.309 -0.356 11.556) 11.566 7.895 ( -2.516 1.574 2.520) 3.893 7.958 ( 3.524 -1.009 2.901) 4.675 8.728 ( -2.572 -1.421 -10.653) 11.051 13.367 ( 2.202 -2.273 0.822) 3.270 13.419 ( 2.352 4.873 -0.339) 5.421 15.903 ( -3.819 -2.408 0.505) 4.543 16.034 ( 2.574 1.723 4.161) 5.187 16.498 ( 0.236 0.116 -0.685) 0.734 17.224 ( -2.027 -1.178 -7.361) 7.726 ======================= Grid point 230 (115/172) ======================= q-point: ( 0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.665 ( 4.752 6.487 8.061) 11.386 1.845 ( 8.455 4.892 2.683) 10.130 2.279 ( -0.959 -1.050 -16.442) 16.503 2.563 ( -11.017 -6.201 -0.751) 12.665 2.984 ( -5.922 -7.020 1.628) 9.327 3.072 ( 1.385 -0.552 2.478) 2.892 3.385 ( -0.408 5.182 7.427) 9.066 3.440 ( 6.355 2.599 -0.915) 6.926 3.702 ( 9.553 3.814 -1.814) 10.445 5.047 ( -8.477 -4.216 -6.824) 11.671 5.368 ( 2.032 -3.112 -8.159) 8.966 5.624 ( 4.192 4.746 -9.062) 11.055 6.292 ( -7.101 -0.930 3.689) 8.056 6.650 ( 8.066 3.088 2.957) 9.129 7.529 ( -1.531 -1.247 15.047) 15.176 7.908 ( -3.677 3.161 2.806) 5.603 8.034 ( 4.592 -2.815 2.094) 5.779 8.519 ( -4.023 -1.919 -11.390) 12.231 13.427 ( 5.057 -2.369 2.846) 6.268 13.513 ( 1.710 5.946 4.102) 7.423 15.809 ( -4.305 -2.851 -3.004) 5.974 16.144 ( 3.111 2.078 4.370) 5.753 16.498 ( 0.514 0.371 -0.200) 0.664 17.068 ( -2.890 -1.468 -9.123) 9.682 ======================= Grid point 231 (116/172) ======================= q-point: (-0.50 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.621 ( -5.434 -3.202 -14.079) 15.427 2.025 ( 5.880 7.659 9.092) 13.262 2.341 ( -11.646 -8.904 -1.095) 14.701 2.363 ( 14.482 8.467 2.223) 16.922 2.907 ( -3.507 -4.694 3.683) 6.921 3.052 ( -5.497 -2.091 0.406) 5.895 3.423 ( 0.270 -1.046 -0.621) 1.246 3.618 ( 5.056 7.783 5.695) 10.889 3.806 ( 8.704 1.728 -4.366) 9.889 4.807 ( -6.913 -3.742 -7.426) 10.814 5.297 ( 5.277 -2.889 -5.745) 8.318 5.585 ( 2.498 4.788 -8.632) 10.182 6.241 ( -6.884 -0.073 3.457) 7.703 6.825 ( 9.547 3.586 1.142) 10.262 7.695 ( -3.637 -2.060 15.250) 15.812 7.925 ( -4.245 3.231 4.583) 7.032 8.087 ( 4.534 -4.390 0.595) 6.339 8.289 ( -5.055 -1.370 -11.241) 12.402 13.526 ( 4.309 1.018 2.915) 5.301 13.671 ( 2.880 2.444 9.516) 10.238 15.670 ( -4.098 -2.799 -5.499) 7.407 16.269 ( 3.984 2.249 4.582) 6.475 16.515 ( 1.161 0.944 0.454) 1.564 16.877 ( -3.327 -1.267 -11.485) 12.024 ======================= Grid point 232 (117/172) ======================= q-point: (-0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( -8.692 -4.188 -3.058) 10.122 2.069 ( -14.648 -10.590 -1.185) 18.114 2.293 ( 7.208 5.587 8.145) 12.228 2.648 ( 12.335 8.870 -0.861) 15.217 2.839 ( -11.711 -7.521 2.043) 14.067 3.007 ( 2.749 2.647 2.679) 4.663 3.407 ( 0.359 -1.749 0.920) 2.009 3.773 ( -0.448 1.392 3.900) 4.165 3.844 ( 7.664 3.478 -8.360) 11.863 4.651 ( 1.111 0.438 -5.499) 5.628 5.315 ( 8.183 -1.938 -2.235) 8.701 5.536 ( 1.256 4.070 -7.196) 8.362 6.202 ( -6.040 1.111 3.164) 6.908 6.983 ( 9.717 3.114 -1.318) 10.288 7.754 ( -6.563 -2.285 4.429) 8.241 8.001 ( -3.034 -0.889 11.340) 11.772 8.068 ( -4.042 1.347 -6.579) 7.838 8.111 ( 1.188 -4.378 -0.709) 4.591 13.636 ( 1.859 4.457 4.100) 6.335 13.868 ( 3.965 -1.503 11.249) 12.021 15.521 ( -2.984 -2.262 -5.853) 6.948 16.407 ( 4.168 2.022 4.746) 6.632 16.561 ( 2.726 1.643 1.278) 3.430 16.644 ( -3.610 -1.004 -14.735) 15.204 ======================= Grid point 233 (118/172) ======================= q-point: (-0.30 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( -8.768 -3.310 16.386) 18.877 1.751 ( -18.138 -9.565 -1.012) 20.531 2.520 ( 5.776 2.362 5.731) 8.473 2.548 ( -19.864 -10.530 3.435) 22.743 2.797 ( 10.042 6.409 -11.410) 16.496 3.147 ( 5.265 3.302 3.577) 7.171 3.463 ( -0.758 -2.051 6.353) 6.719 3.739 ( 3.197 -5.029 -2.137) 6.331 3.838 ( 1.837 7.317 -9.657) 12.255 4.724 ( 11.069 6.867 -1.642) 13.129 5.422 ( 10.138 -1.338 1.244) 10.302 5.494 ( 0.772 3.222 -4.702) 5.752 6.181 ( -5.053 2.422 2.732) 6.234 7.085 ( 7.648 1.624 -4.402) 8.973 7.616 ( -6.922 -4.586 -5.710) 10.077 7.911 ( -7.265 2.062 -2.402) 7.925 8.084 ( 0.666 -5.312 -0.436) 5.371 8.191 ( -1.473 0.710 16.184) 16.266 13.756 ( -0.106 6.656 5.337) 8.532 14.024 ( 2.200 -4.060 7.274) 8.616 15.422 ( -0.410 -1.474 -2.135) 2.626 16.352 ( -6.249 -2.520 -15.274) 16.694 16.530 ( 3.565 2.418 1.031) 4.429 16.668 ( 7.115 2.618 3.036) 8.166 ======================= Grid point 234 (119/172) ======================= q-point: (-0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( -16.936 -8.475 4.485) 19.462 1.512 ( -11.232 0.506 25.727) 28.076 2.189 ( -22.093 -15.181 3.722) 27.064 2.692 ( 4.305 1.369 4.189) 6.161 2.738 ( 3.789 3.917 -14.129) 15.143 3.310 ( 2.239 3.156 4.750) 6.126 3.385 ( -2.870 -9.144 0.719) 9.610 3.746 ( 3.231 3.672 -12.899) 13.795 3.873 ( 10.590 5.894 0.583) 12.134 4.941 ( 13.153 8.684 -1.614) 15.844 5.486 ( 3.088 0.137 -1.131) 3.291 5.594 ( 9.070 1.539 3.770) 9.942 6.177 ( -4.086 3.782 2.044) 5.931 7.056 ( -0.424 -1.578 -9.247) 9.390 7.401 ( -5.198 -5.222 -5.808) 9.382 7.816 ( -6.223 2.488 -0.620) 6.731 8.035 ( -1.491 -5.322 0.276) 5.534 8.419 ( 2.127 2.141 15.150) 15.448 13.862 ( -1.730 6.396 3.157) 7.339 14.036 ( -1.916 -4.281 -0.970) 4.790 15.447 ( 2.651 -1.039 4.952) 5.712 16.024 ( -6.978 -3.228 -15.069) 16.917 16.583 ( 1.456 1.213 -0.112) 1.898 16.868 ( 10.743 3.836 4.113) 12.126 ======================= Grid point 239 (120/172) ======================= q-point: ( 0.30 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( 3.070 2.520 10.367) 11.102 1.676 ( -2.197 6.670 6.953) 9.882 2.324 ( -0.110 -4.472 -23.421) 23.844 2.760 ( 0.987 -10.060 -1.909) 10.287 3.016 ( 0.208 0.279 0.320) 0.473 3.133 ( -5.666 2.580 6.787) 9.210 3.277 ( 4.817 -0.300 0.733) 4.881 3.452 ( 0.608 1.550 5.105) 5.369 3.512 ( -1.351 9.213 -0.286) 9.316 5.160 ( 0.458 -10.090 -6.773) 12.161 5.416 ( -3.609 1.139 -8.842) 9.618 5.498 ( 2.915 5.895 -9.575) 11.616 6.440 ( 3.168 -0.377 4.051) 5.156 6.489 ( -2.821 -0.309 3.447) 4.465 7.552 ( -0.087 -0.485 15.556) 15.564 7.916 ( 1.701 -2.623 2.126) 3.780 8.009 ( -1.742 4.290 2.533) 5.277 8.575 ( 0.082 -1.836 -12.078) 12.217 13.366 ( -0.962 -1.857 2.347) 3.143 13.481 ( 0.892 7.327 5.404) 9.148 15.892 ( -0.209 -6.001 -1.645) 6.225 16.073 ( 0.195 5.402 1.127) 5.522 16.491 ( 0.017 0.215 -0.338) 0.401 17.112 ( 0.033 -3.475 -8.266) 8.967 ======================= Grid point 240 (121/172) ======================= q-point: ( 0.40 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.707 ( -2.279 -1.690 -2.509) 3.787 1.835 ( 8.622 3.530 5.210) 10.674 2.105 ( 2.753 7.746 -5.055) 9.651 2.609 ( -6.479 -11.397 -0.931) 13.142 2.990 ( -1.064 -7.476 0.400) 7.562 3.152 ( -4.242 4.144 3.857) 7.074 3.369 ( 4.580 2.221 -1.129) 5.214 3.539 ( -1.030 7.621 5.944) 9.719 3.609 ( 5.727 4.200 -1.033) 7.177 4.965 ( -2.586 -10.886 -7.476) 13.457 5.241 ( -2.543 0.322 -8.659) 9.031 5.492 ( 4.525 6.555 -8.127) 11.380 6.423 ( -7.005 -1.270 3.164) 7.790 6.602 ( 7.712 0.981 2.988) 8.329 7.761 ( -1.260 -1.751 17.032) 17.168 7.955 ( 2.746 -1.489 1.583) 3.502 8.042 ( -2.315 2.988 1.898) 4.230 8.385 ( -1.802 -1.310 -11.902) 12.108 13.412 ( 2.637 -3.188 5.562) 6.932 13.648 ( -0.032 9.583 8.275) 12.661 15.775 ( -3.144 -5.935 -4.688) 8.191 16.149 ( 3.715 5.406 -0.303) 6.567 16.493 ( 0.468 0.388 -0.122) 0.620 16.954 ( -1.742 -4.104 -8.745) 9.816 ======================= Grid point 241 (122/172) ======================= q-point: (-0.50 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.541 ( -5.304 -5.290 -2.824) 8.006 2.054 ( 10.610 3.496 4.007) 11.868 2.324 ( 8.582 12.514 5.784) 16.239 2.404 ( -9.529 -11.488 0.228) 14.928 2.922 ( -0.212 -6.434 0.329) 6.446 3.157 ( -6.582 2.976 2.226) 7.559 3.392 ( 1.236 -0.109 -1.167) 1.704 3.662 ( 4.569 4.108 -4.727) 7.752 3.711 ( 3.409 7.325 5.345) 9.687 4.730 ( -4.334 -9.107 -7.864) 12.789 5.150 ( 3.032 -0.280 -5.046) 5.894 5.488 ( 2.659 6.526 -7.037) 9.959 6.357 ( -6.010 -3.146 2.896) 7.376 6.755 ( 7.721 3.597 1.361) 8.626 7.892 ( -2.575 -3.649 5.666) 7.215 8.019 ( 1.275 -2.379 2.144) 3.448 8.057 ( -1.244 0.336 7.603) 7.712 8.210 ( -3.270 2.028 -7.730) 8.635 13.530 ( 4.743 -3.432 8.031) 9.939 13.840 ( -1.091 9.040 9.906) 13.455 15.608 ( -3.294 -5.226 -6.449) 8.930 16.244 ( 6.201 5.349 -1.852) 8.397 16.506 ( 1.228 0.737 -0.441) 1.498 16.767 ( -3.863 -3.898 -8.436) 10.064 ======================= Grid point 242 (123/172) ======================= q-point: (-0.40 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( -5.766 -3.295 12.215) 13.904 2.170 ( -12.185 -10.751 0.724) 16.266 2.282 ( 11.885 2.770 3.067) 12.583 2.561 ( 5.146 6.458 0.436) 8.269 2.930 ( 2.633 -1.679 1.760) 3.585 3.070 ( -9.829 0.887 1.449) 9.975 3.404 ( 2.172 0.541 0.686) 2.341 3.645 ( 3.544 -0.935 -7.309) 8.177 3.864 ( 0.452 7.685 1.838) 7.914 4.544 ( 1.191 -3.798 -6.166) 7.339 5.180 ( 7.046 0.292 -0.890) 7.108 5.477 ( 0.981 6.118 -5.317) 8.165 6.298 ( -4.042 -4.063 2.664) 6.320 6.894 ( 6.624 5.413 -0.563) 8.573 7.784 ( -5.036 -4.298 -6.687) 9.410 8.001 ( 1.857 -6.185 -0.673) 6.493 8.117 ( -5.358 2.602 0.895) 6.023 8.228 ( -0.616 1.299 12.402) 12.485 13.694 ( 4.842 -2.287 9.442) 10.854 14.007 ( -1.790 5.193 8.315) 9.966 15.455 ( -1.848 -3.395 -4.956) 6.286 16.329 ( 7.314 5.300 -8.219) 12.212 16.499 ( -0.690 0.230 -3.335) 3.414 16.606 ( -2.469 -2.272 -0.809) 3.452 ======================= Grid point 243 (124/172) ======================= q-point: (-0.30 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( -5.488 -3.417 21.077) 22.047 1.945 ( -15.226 -5.092 5.187) 16.872 2.484 ( 10.655 1.664 0.164) 10.785 2.582 ( 2.808 -0.829 -6.235) 6.888 2.792 ( -17.274 -4.958 2.038) 18.087 3.129 ( 5.738 3.507 1.889) 6.985 3.497 ( 9.368 -0.108 -2.766) 9.768 3.556 ( -1.602 -1.919 -2.497) 3.533 3.850 ( -5.438 4.408 -3.851) 7.989 4.587 ( 11.729 5.170 -2.644) 13.087 5.300 ( 8.738 0.315 1.102) 8.813 5.480 ( 0.878 6.257 -1.891) 6.595 6.259 ( -2.070 -3.981 2.389) 5.083 6.992 ( 3.810 6.364 -2.643) 7.874 7.568 ( -6.104 -5.090 -7.682) 11.054 7.947 ( -0.814 -5.981 -1.291) 6.173 8.082 ( -4.407 1.429 1.088) 4.759 8.398 ( 0.004 0.025 12.172) 12.172 13.865 ( 2.805 0.035 8.549) 8.997 14.066 ( -2.295 -1.717 1.673) 3.319 15.402 ( 0.661 -0.318 1.284) 1.479 16.179 ( -3.297 -0.287 -15.922) 16.263 16.531 ( 2.524 2.660 1.569) 3.989 16.639 ( 5.053 2.087 1.591) 5.694 ======================= Grid point 244 (125/172) ======================= q-point: (-0.20 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( -14.583 -5.199 5.809) 16.536 2.017 ( -8.550 2.276 25.553) 27.041 2.404 ( -15.962 -5.061 -2.650) 16.954 2.509 ( 3.385 -2.936 -7.287) 8.555 2.717 ( 2.984 -1.421 4.945) 5.948 3.237 ( 6.586 0.786 -1.813) 6.876 3.393 ( 1.305 -5.055 -7.344) 9.010 3.600 ( -3.197 -2.204 0.778) 3.960 3.815 ( 4.499 10.409 -4.673) 12.265 4.790 ( 14.025 7.921 -2.743) 16.339 5.395 ( 6.028 -1.165 -0.970) 6.216 5.593 ( 5.383 7.379 3.967) 9.958 6.244 ( -0.720 -2.859 1.976) 3.549 7.000 ( -3.124 5.485 -5.202) 8.179 7.353 ( -5.324 -5.488 -5.389) 9.354 7.867 ( -2.372 -4.123 -0.595) 4.794 8.044 ( -3.459 -1.365 0.918) 3.830 8.558 ( 2.409 0.019 9.030) 9.346 13.923 ( -3.922 -2.823 -3.963) 6.250 14.013 ( -0.163 -2.716 1.668) 3.191 15.498 ( 2.832 1.059 8.053) 8.601 15.914 ( -5.602 -1.236 -11.149) 12.538 16.571 ( 0.862 0.336 -0.261) 0.961 16.808 ( 9.769 6.840 1.878) 12.073 ======================= Grid point 249 (126/172) ======================= q-point: ( 0.30 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( 1.562 -0.733 -2.194) 2.791 1.807 ( -5.790 -0.002 6.444) 8.663 2.119 ( -3.496 7.947 -5.814) 10.449 2.610 ( 6.014 -10.577 -0.446) 12.175 2.991 ( 0.208 -5.961 -0.310) 5.973 3.210 ( 6.951 4.793 1.345) 8.549 3.349 ( -9.438 3.047 3.256) 10.439 3.471 ( 3.229 2.396 2.081) 4.527 3.655 ( -5.468 7.317 0.775) 9.168 4.951 ( 2.910 -10.553 -7.922) 13.513 5.336 ( 2.212 4.511 -6.801) 8.455 5.419 ( -5.079 2.830 -9.844) 11.433 6.393 ( 7.342 -3.558 4.292) 9.219 6.623 ( -7.496 2.438 2.350) 8.225 7.764 ( 1.224 -1.192 17.157) 17.242 7.905 ( 0.299 -3.726 2.186) 4.330 8.094 ( -1.041 5.310 1.169) 5.536 8.379 ( 2.195 -1.957 -12.042) 12.396 13.418 ( -2.994 -2.802 3.786) 5.581 13.647 ( 0.184 9.532 9.986) 13.806 15.782 ( 2.955 -5.592 -4.588) 7.813 16.145 ( -3.666 5.286 -0.341) 6.442 16.491 ( -0.362 0.210 -0.165) 0.450 16.952 ( 1.897 -4.347 -8.719) 9.925 ======================= Grid point 250 (127/172) ======================= q-point: ( 0.40 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( 1.716 -8.181 -3.656) 9.124 1.882 ( -1.764 3.930 6.826) 8.071 2.197 ( 1.380 13.276 5.926) 14.604 2.547 ( -0.352 -13.035 -0.199) 13.041 2.928 ( -0.229 -8.716 -0.830) 8.758 3.305 ( -5.424 5.160 1.123) 7.570 3.320 ( 3.371 4.221 -0.722) 5.450 3.568 ( 3.962 3.227 -0.057) 5.110 3.688 ( -2.304 8.684 2.778) 9.404 4.780 ( 0.644 -12.080 -7.347) 14.154 5.190 ( -5.157 -0.123 -7.403) 9.023 5.389 ( 4.197 8.198 -6.484) 11.263 6.521 ( 3.272 -4.173 2.448) 5.840 6.566 ( -3.003 2.557 2.895) 4.892 7.903 ( 0.011 -4.505 2.420) 5.114 8.000 ( 1.635 -1.164 13.758) 13.903 8.098 ( -1.658 1.608 -2.540) 3.433 8.253 ( 0.092 1.955 -6.535) 6.822 13.449 ( 0.683 -4.451 7.293) 8.571 13.873 ( -0.829 11.459 11.175) 16.027 15.671 ( -0.507 -7.293 -6.402) 9.718 16.140 ( 0.332 6.790 -3.536) 7.662 16.488 ( 0.147 0.208 -0.308) 0.399 16.821 ( 0.095 -4.352 -7.538) 8.704 ======================= Grid point 251 (128/172) ======================= q-point: (-0.50 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.592 ( -0.767 -6.416 9.666) 11.627 1.999 ( 4.906 2.906 3.576) 6.731 2.389 ( -2.572 -7.860 2.454) 8.627 2.476 ( 1.580 8.324 7.018) 11.002 2.833 ( 1.100 -9.164 -2.417) 9.541 3.293 ( -4.421 4.422 0.158) 6.255 3.361 ( 1.299 2.431 -1.387) 3.085 3.593 ( 0.817 2.804 -4.279) 5.181 3.804 ( 1.848 10.330 3.236) 10.982 4.581 ( -1.524 -11.957 -7.119) 13.999 5.081 ( -0.223 1.500 -3.270) 3.605 5.423 ( 3.048 8.018 -5.254) 10.059 6.440 ( -6.663 -5.173 1.656) 8.597 6.703 ( 7.555 3.580 2.094) 8.618 7.862 ( -1.105 -5.613 -3.439) 6.675 7.979 ( -0.380 -2.995 -4.532) 5.445 8.200 ( 1.303 3.401 3.110) 4.790 8.253 ( -2.855 0.837 9.909) 10.346 13.561 ( 3.907 -5.399 10.018) 12.033 14.080 ( -2.709 9.706 9.628) 13.937 15.509 ( -1.838 -5.832 -6.119) 8.650 16.160 ( 4.164 6.603 -6.206) 9.972 16.488 ( 0.550 0.315 -0.840) 1.053 16.687 ( -1.993 -3.096 -5.524) 6.638 ======================= Grid point 252 (129/172) ======================= q-point: (-0.40 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.739 ( -1.665 -4.557 18.996) 19.605 2.136 ( 7.699 -1.382 0.435) 7.834 2.281 ( -5.586 -5.504 5.088) 9.348 2.594 ( -3.047 -1.140 0.253) 3.263 2.858 ( 8.594 1.888 2.328) 9.102 3.228 ( -7.382 0.714 -1.054) 7.491 3.363 ( 0.580 1.913 -3.380) 3.927 3.543 ( 0.378 2.624 -5.427) 6.040 3.949 ( 0.214 9.159 2.213) 9.424 4.396 ( 1.617 -7.340 -6.207) 9.748 5.115 ( 4.363 3.185 0.780) 5.457 5.453 ( 1.644 7.779 -3.804) 8.814 6.336 ( -4.620 -7.125 1.617) 8.645 6.857 ( 6.535 6.214 0.655) 9.041 7.701 ( -3.549 -5.530 -7.361) 9.867 7.922 ( 0.848 -5.933 -0.829) 6.050 8.211 ( -3.042 5.020 -1.191) 5.989 8.404 ( -0.632 -1.590 12.297) 12.416 13.731 ( 5.721 -5.668 11.335) 13.905 14.176 ( -4.875 3.308 3.270) 6.738 15.406 ( -0.828 -1.029 -1.135) 1.741 16.156 ( 3.813 4.966 -10.926) 12.593 16.486 ( 0.595 1.510 -0.442) 1.682 16.598 ( -0.779 -1.008 -1.653) 2.086 ======================= Grid point 253 (130/172) ======================= q-point: (-0.30 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.884 ( -4.759 -7.809 10.764) 14.124 2.199 ( -0.075 -0.659 11.399) 11.419 2.339 ( 2.738 0.245 0.995) 2.923 2.527 ( -0.811 -3.435 1.501) 3.835 2.934 ( -5.719 0.719 -2.061) 6.121 3.143 ( -0.914 -3.216 2.306) 4.062 3.283 ( 1.376 -0.889 -10.414) 10.542 3.568 ( 4.220 7.451 -0.469) 8.575 3.930 ( -8.329 0.011 -0.949) 8.383 4.427 ( 11.826 5.434 -2.790) 13.310 5.234 ( 5.476 3.511 1.204) 6.615 5.501 ( 2.098 8.185 -0.814) 8.489 6.257 ( -1.499 -7.966 1.627) 8.267 6.986 ( 3.709 8.754 -0.776) 9.539 7.507 ( -5.044 -6.099 -5.771) 9.795 7.870 ( 0.778 -8.132 -0.319) 8.175 8.175 ( -4.755 3.343 -1.057) 5.908 8.529 ( 0.063 -1.566 8.469) 8.613 13.914 ( 5.194 -5.040 10.024) 12.364 14.080 ( -6.160 -4.284 -4.977) 9.003 15.449 ( 0.762 3.087 5.554) 6.400 16.025 ( -1.827 1.575 -12.600) 12.829 16.542 ( 1.626 1.941 1.540) 2.964 16.607 ( 4.273 4.296 -0.424) 6.074 ======================= Grid point 254 (131/172) ======================= q-point: (-0.20 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.832 ( -7.847 -4.191 4.961) 10.185 2.284 ( 2.987 -4.435 -7.226) 8.990 2.420 ( -2.958 1.209 15.536) 15.861 2.538 ( -6.002 -1.032 1.729) 6.331 2.805 ( -6.346 -0.565 4.553) 7.831 3.133 ( 5.774 -11.111 -4.997) 13.482 3.166 ( 1.228 3.071 -6.420) 7.222 3.707 ( 1.110 4.605 3.945) 6.164 3.797 ( -4.454 4.136 -4.093) 7.328 4.627 ( 13.215 8.461 -2.787) 15.937 5.312 ( 3.677 1.793 -1.500) 4.358 5.637 ( 5.207 9.246 2.879) 10.996 6.218 ( 1.238 -7.058 1.443) 7.310 7.056 ( -2.119 10.366 -2.411) 10.852 7.318 ( -5.771 -7.295 -3.163) 9.825 7.818 ( 1.282 -8.527 0.797) 8.659 8.111 ( -5.189 1.223 -0.846) 5.398 8.613 ( 1.497 -1.577 4.314) 4.831 13.846 ( -6.213 -7.779 -8.775) 13.271 14.034 ( 1.368 -3.663 4.847) 6.227 15.594 ( 2.324 2.106 8.763) 9.308 15.844 ( -3.435 0.275 -8.007) 8.717 16.557 ( 0.342 -0.535 -0.483) 0.797 16.773 ( 8.143 10.443 1.197) 13.296 ======================= Grid point 259 (132/172) ======================= q-point: ( 0.30 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.519 ( 4.298 -6.053 -4.505) 8.684 2.072 ( -8.786 3.312 11.571) 14.902 2.277 ( -9.036 9.631 1.022) 13.246 2.423 ( 9.145 -10.369 -0.465) 13.833 2.940 ( -0.613 -4.518 0.182) 4.563 3.156 ( 8.354 2.351 0.885) 8.723 3.460 ( 2.309 3.202 -0.261) 3.956 3.534 ( -9.315 1.451 0.672) 9.451 3.775 ( -3.144 7.195 0.374) 7.861 4.720 ( 3.624 -8.508 -7.910) 12.169 5.278 ( 0.243 5.938 -4.594) 7.512 5.389 ( -5.954 1.435 -8.101) 10.156 6.319 ( 6.667 -5.484 4.247) 9.621 6.779 ( -7.992 4.867 0.787) 9.390 7.878 ( 3.313 -3.183 4.482) 6.418 7.975 ( -1.237 -4.272 11.916) 12.719 8.112 ( 0.916 0.369 -6.530) 6.605 8.209 ( 3.031 3.048 -2.345) 4.897 13.500 ( -4.167 -4.225 5.134) 7.847 13.876 ( 0.494 10.197 12.292) 15.978 15.620 ( 3.516 -4.580 -6.147) 8.434 16.239 ( -6.566 5.298 -2.277) 8.739 16.500 ( -1.162 0.285 -0.454) 1.279 16.763 ( 3.960 -4.230 -7.919) 9.812 ======================= Grid point 260 (133/172) ======================= q-point: ( 0.40 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( 2.786 -6.121 7.912) 10.384 2.089 ( -9.453 1.672 7.426) 12.137 2.363 ( 1.091 7.683 6.317) 10.006 2.425 ( 4.706 -9.300 0.691) 10.446 2.866 ( -2.936 -6.447 -1.188) 7.183 3.274 ( 4.873 3.779 -1.396) 6.322 3.423 ( -5.326 4.656 -2.347) 7.454 3.531 ( 3.511 2.294 -1.561) 4.475 3.821 ( -2.479 9.055 2.478) 9.709 4.577 ( 1.591 -10.724 -6.983) 12.895 5.173 ( -5.432 -1.129 -4.775) 7.320 5.342 ( 1.809 9.801 -4.338) 10.870 6.434 ( 7.898 -4.572 2.970) 9.597 6.707 ( -8.457 2.945 1.124) 9.025 7.892 ( -1.142 -5.078 0.413) 5.221 7.956 ( 2.766 -2.457 -8.502) 9.273 8.146 ( 1.777 0.148 5.713) 5.985 8.296 ( -0.014 3.009 7.433) 8.019 13.517 ( -0.876 -5.813 8.355) 10.215 14.122 ( -0.118 9.916 10.747) 14.623 15.526 ( 0.860 -5.580 -5.724) 8.040 16.148 ( -3.525 6.473 -6.627) 9.912 16.483 ( -0.150 0.087 -0.936) 0.952 16.690 ( 1.693 -2.800 -4.988) 5.965 ======================= Grid point 261 (134/172) ======================= q-point: (-0.50 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.703 ( 2.880 -4.851 15.745) 16.726 2.090 ( -5.026 -1.379 6.816) 8.580 2.368 ( 0.555 -8.945 2.693) 9.358 2.613 ( 6.052 8.543 7.455) 12.853 2.734 ( -4.562 -7.326 -2.207) 8.908 3.284 ( 0.512 2.219 -5.706) 6.144 3.395 ( -1.378 4.680 -1.441) 5.088 3.543 ( 1.513 2.640 -4.872) 5.744 3.921 ( -0.300 11.817 3.258) 12.262 4.406 ( -0.310 -12.040 -6.477) 13.675 5.082 ( -1.887 1.894 -0.764) 2.781 5.394 ( 2.139 9.480 -3.543) 10.344 6.478 ( -1.467 -5.858 0.569) 6.066 6.690 ( 1.384 3.540 2.427) 4.510 7.764 ( -1.256 -6.263 -6.918) 9.416 7.914 ( 0.290 -2.429 -0.945) 2.622 8.216 ( 1.898 3.035 -0.613) 3.632 8.433 ( -0.890 -0.564 11.137) 11.187 13.611 ( 2.593 -6.725 10.762) 12.953 14.280 ( -2.142 4.474 5.111) 7.122 15.435 ( -1.014 -1.863 -1.692) 2.713 16.077 ( 0.762 6.558 -8.814) 11.012 16.473 ( 0.410 0.601 -1.003) 1.239 16.624 ( -0.557 -1.154 -3.372) 3.607 ======================= Grid point 263 (135/172) ======================= q-point: (-0.40 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.930 ( 2.640 -5.282 15.781) 16.850 2.083 ( -1.160 -6.354 2.526) 6.935 2.393 ( -0.436 -2.739 6.255) 6.842 2.611 ( -4.257 -4.470 3.137) 6.924 2.842 ( 6.185 3.818 5.370) 9.037 3.178 ( -1.173 0.281 -10.638) 10.707 3.383 ( -2.389 4.021 -2.937) 5.523 3.498 ( 0.375 3.564 -4.900) 6.071 4.072 ( -0.768 10.688 4.085) 11.468 4.226 ( 1.614 -8.638 -6.273) 10.797 5.128 ( 2.048 5.004 2.374) 5.905 5.448 ( 1.889 9.081 -2.972) 9.740 6.368 ( -6.155 -7.042 0.451) 9.363 6.821 ( 7.198 4.651 1.731) 8.743 7.605 ( -2.186 -6.441 -5.566) 8.789 7.874 ( -1.117 -4.698 -0.018) 4.829 8.236 ( 0.450 3.290 -2.260) 4.016 8.547 ( -1.104 -1.511 8.621) 8.822 13.764 ( 5.015 -7.111 11.627) 14.522 14.247 ( -5.291 -3.528 -2.833) 6.962 15.452 ( -0.784 3.842 4.539) 5.999 16.012 ( 1.751 5.383 -10.995) 12.366 16.488 ( 1.438 2.994 0.280) 3.333 16.576 ( -0.505 0.035 -1.797) 1.867 ======================= Grid point 264 (136/172) ======================= q-point: (-0.30 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.965 ( -4.124 -9.765 2.719) 10.943 2.152 ( 6.245 -4.967 4.582) 9.202 2.406 ( -0.345 -1.937 2.958) 3.552 2.712 ( -4.804 3.114 16.440) 17.408 2.950 ( 2.671 -1.969 1.091) 3.493 2.976 ( -0.126 -2.983 -15.522) 15.807 3.289 ( -6.951 0.700 -3.001) 7.604 3.547 ( 5.906 9.565 -1.701) 11.370 3.998 ( -5.331 -8.603 -1.278) 10.201 4.325 ( 7.855 12.760 0.114) 14.985 5.239 ( 2.220 5.859 1.634) 6.476 5.521 ( 3.313 9.531 -1.149) 10.156 6.245 ( -4.041 -8.067 0.743) 9.053 6.978 ( 6.654 6.597 0.621) 9.391 7.458 ( -3.654 -6.675 -2.686) 8.070 7.812 ( -1.446 -7.212 0.338) 7.363 8.217 ( -1.708 2.154 -2.446) 3.680 8.610 ( -1.021 -1.525 4.523) 4.881 13.929 ( 4.987 -6.425 9.030) 12.153 14.042 ( -7.388 -7.855 -6.155) 12.416 15.565 ( -0.048 4.202 7.147) 8.291 15.902 ( -0.427 3.018 -10.849) 11.269 16.551 ( 0.018 -0.540 0.273) 0.606 16.596 ( 4.768 8.980 0.819) 10.201 ======================= Grid point 265 (137/172) ======================= q-point: (-0.20 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.866 ( 0.011 -8.809 -1.258) 8.899 2.183 ( -0.284 -3.097 1.138) 3.312 2.500 ( 3.042 1.995 5.165) 6.317 2.692 ( -5.652 0.460 -14.977) 16.015 2.784 ( -3.156 -8.385 1.084) 9.025 3.038 ( 1.461 -4.038 8.239) 9.291 3.185 ( -4.424 2.851 1.720) 5.537 3.714 ( 6.835 12.710 -1.257) 14.486 3.863 ( -4.743 -7.592 1.342) 9.052 4.526 ( 7.781 11.986 -1.099) 14.332 5.291 ( -0.136 4.482 -1.636) 4.773 5.666 ( 5.960 10.268 1.131) 11.926 6.165 ( -0.150 -7.373 0.725) 7.410 7.103 ( 3.422 7.597 -0.863) 8.377 7.329 ( -6.470 -5.962 0.683) 8.825 7.746 ( 0.499 -9.335 1.281) 9.436 8.161 ( -3.588 0.691 -1.960) 4.147 8.621 ( -0.217 -1.562 0.235) 1.594 13.767 ( -7.879 -7.137 -7.685) 13.118 14.044 ( 1.784 -6.057 5.565) 8.417 15.691 ( 1.154 1.381 6.230) 6.485 15.786 ( -0.742 0.885 -5.312) 5.436 16.543 ( -0.030 -0.090 -0.590) 0.598 16.783 ( 6.552 12.249 1.470) 13.969 ======================= Grid point 271 (138/172) ======================= q-point: ( 0.30 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( 4.343 -5.079 10.819) 12.716 2.177 ( 13.122 -10.927 -1.461) 17.138 2.353 ( -6.308 3.807 9.651) 12.142 2.471 ( -11.389 3.989 -2.371) 12.298 2.981 ( -5.023 1.659 1.932) 5.631 3.025 ( 13.262 -1.563 0.823) 13.379 3.460 ( 0.723 3.234 1.091) 3.488 3.619 ( -8.363 -0.418 -6.767) 10.766 3.860 ( 1.487 5.848 1.504) 6.219 4.545 ( -1.215 -3.387 -6.434) 7.371 5.301 ( -4.031 4.085 -1.983) 6.072 5.388 ( -4.630 4.258 -5.260) 8.200 6.248 ( 4.937 -6.730 3.917) 9.220 6.926 ( -7.034 6.865 -1.087) 9.889 7.809 ( 6.526 -2.298 -3.703) 7.848 7.932 ( -0.318 -7.661 -4.159) 8.723 8.119 ( 0.281 -0.790 4.900) 4.972 8.255 ( 2.879 3.219 8.946) 9.934 13.602 ( -5.012 -5.749 6.380) 9.943 14.090 ( 2.170 7.754 10.019) 12.853 15.477 ( 2.325 -2.157 -4.093) 5.178 16.315 ( -7.426 4.219 -9.541) 12.805 16.485 ( 0.550 -0.627 -2.743) 2.867 16.622 ( 2.091 -0.719 0.167) 2.218 ======================= Grid point 272 (139/172) ======================= q-point: ( 0.40 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.660 ( 0.856 -3.739 18.189) 18.589 2.229 ( 9.774 -11.279 -0.066) 14.925 2.306 ( -9.663 -2.212 3.720) 10.588 2.496 ( 1.327 5.359 5.245) 7.615 2.917 ( -8.245 0.863 1.115) 8.364 3.184 ( 9.001 2.242 -2.222) 9.539 3.442 ( -1.240 -1.517 -5.710) 6.037 3.489 ( -1.402 5.340 -2.892) 6.233 3.960 ( -0.178 8.846 3.331) 9.454 4.399 ( -0.964 -6.984 -6.723) 9.742 5.193 ( -5.688 -1.137 -1.907) 6.106 5.379 ( -1.596 11.048 -1.991) 11.339 6.329 ( 7.181 -5.713 2.716) 9.570 6.860 ( -8.442 5.019 -0.107) 9.822 7.749 ( 3.021 -5.265 -9.119) 10.954 7.888 ( 1.502 -3.385 1.610) 4.038 8.163 ( 1.339 0.348 0.582) 1.500 8.429 ( 1.179 0.340 10.089) 10.163 13.605 ( -2.138 -7.113 8.893) 11.587 14.273 ( 2.540 3.499 4.648) 6.348 15.450 ( -0.092 -0.304 -0.019) 0.319 16.125 ( -3.306 4.391 -11.413) 12.668 16.468 ( -0.223 0.778 -0.852) 1.175 16.628 ( -0.299 0.637 -0.990) 1.214 ======================= Grid point 273 (140/172) ======================= q-point: ( 0.50 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.876 ( -0.137 -3.399 15.972) 16.330 2.215 ( -4.876 -8.455 4.306) 10.668 2.311 ( 5.277 -4.886 4.964) 8.738 2.616 ( 3.786 1.082 2.266) 4.543 2.842 ( -6.935 0.782 4.706) 8.417 3.195 ( 0.745 2.600 -8.403) 8.828 3.401 ( 1.823 1.545 -2.801) 3.682 3.458 ( 0.953 4.131 -6.049) 7.387 4.085 ( -1.251 12.474 4.580) 13.347 4.230 ( -0.489 -10.306 -6.797) 12.355 5.133 ( -2.508 2.207 1.256) 3.569 5.424 ( -0.702 10.704 -2.010) 10.914 6.407 ( 5.710 -5.067 0.774) 7.673 6.789 ( -6.959 3.327 1.436) 7.846 7.621 ( 1.104 -6.887 -6.324) 9.415 7.901 ( 0.091 -2.188 1.117) 2.458 8.184 ( 2.357 0.720 -1.622) 2.950 8.560 ( 0.434 -0.734 7.809) 7.855 13.676 ( 1.266 -7.824 10.771) 13.373 14.318 ( 0.581 -3.078 -1.622) 3.527 15.484 ( -1.495 3.653 4.833) 6.240 15.987 ( -0.198 5.414 -11.432) 12.651 16.469 ( -0.109 2.154 0.046) 2.157 16.603 ( -1.450 1.207 -1.749) 2.572 ======================= Grid point 274 (141/172) ======================= q-point: (-0.40 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.023 ( 2.400 -5.953 6.826) 9.370 2.123 ( -6.743 -10.432 6.071) 13.826 2.394 ( 1.672 -1.192 3.099) 3.717 2.736 ( 4.850 1.107 7.801) 9.253 2.862 ( -1.557 -4.427 4.856) 6.753 3.054 ( -2.790 3.881 -12.324) 13.218 3.396 ( -1.770 6.557 -2.888) 7.380 3.432 ( 3.628 1.744 -4.528) 6.059 4.047 ( -0.216 -11.858 -6.264) 13.413 4.246 ( -0.376 14.757 4.957) 15.572 5.191 ( 1.019 5.744 3.266) 6.686 5.469 ( 0.170 10.058 -2.607) 10.392 6.387 ( -2.931 -5.544 -0.557) 6.295 6.806 ( 2.353 2.804 2.496) 4.430 7.506 ( -0.031 -7.346 -3.270) 8.041 7.878 ( -2.574 -3.557 1.274) 4.572 8.195 ( 2.702 0.797 -2.717) 3.914 8.638 ( -0.394 -0.693 4.314) 4.387 13.801 ( 3.833 -7.934 11.128) 14.195 14.208 ( -3.752 -6.937 -4.804) 9.235 15.584 ( -1.111 4.575 6.822) 8.289 15.881 ( 1.240 5.395 -11.999) 13.215 16.513 ( 1.159 4.700 1.896) 5.199 16.571 ( -1.307 1.806 -1.589) 2.738 ======================= Grid point 275 (142/172) ======================= q-point: (-0.30 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.907 ( -3.177 -15.983 -2.477) 16.483 2.171 ( 0.128 -2.187 7.624) 7.932 2.469 ( 0.163 2.913 5.473) 6.202 2.685 ( 1.679 -8.896 -15.171) 17.667 2.898 ( -3.538 -3.600 -5.268) 7.295 3.013 ( 2.524 6.075 12.874) 14.457 3.338 ( -5.883 2.171 -2.184) 6.641 3.528 ( 6.628 9.635 0.955) 11.734 3.884 ( 1.378 -12.191 -4.630) 13.113 4.429 ( 0.421 15.862 3.944) 16.351 5.300 ( 0.440 6.821 2.229) 7.190 5.530 ( 3.159 10.288 -2.180) 10.981 6.262 ( -6.214 -6.387 -0.493) 8.924 6.932 ( 7.284 2.624 2.005) 7.998 7.422 ( -0.969 -6.854 0.229) 6.926 7.812 ( -4.337 -5.464 1.108) 7.064 8.191 ( 1.486 0.038 -2.652) 3.040 8.653 ( -1.385 -0.194 0.137) 1.405 13.925 ( 1.943 -6.027 4.550) 7.798 14.016 ( -5.416 -8.476 -0.574) 10.075 15.691 ( -0.805 1.703 6.844) 7.098 15.776 ( 1.474 3.944 -10.929) 11.712 16.550 ( -0.582 0.469 -0.479) 0.888 16.638 ( 3.683 10.328 2.421) 11.229 ======================= Grid point 276 (143/172) ======================= q-point: (-0.20 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.718 ( 0.672 -16.342 -2.931) 16.616 2.209 ( -0.466 2.381 -6.705) 7.131 2.402 ( -0.010 -4.611 -10.266) 11.254 2.597 ( -0.456 1.075 5.300) 5.427 2.747 ( 0.906 -11.839 -3.241) 12.308 3.191 ( -10.004 -1.517 8.000) 12.899 3.288 ( 2.227 9.398 1.636) 9.796 3.726 ( 3.991 10.856 -0.427) 11.574 3.791 ( 5.763 -10.141 1.363) 11.744 4.595 ( -0.199 15.087 1.978) 15.217 5.337 ( -3.074 5.858 -0.963) 6.685 5.666 ( 6.617 10.611 -0.565) 12.518 6.136 ( -3.323 -6.182 -0.599) 7.044 7.068 ( 6.410 0.796 1.822) 6.711 7.390 ( -1.834 -3.315 3.734) 5.319 7.713 ( -4.055 -7.757 0.722) 8.782 8.161 ( -0.646 -1.035 -1.925) 2.279 8.603 ( -1.724 -0.062 -4.141) 4.486 13.749 ( -9.089 -4.220 -5.240) 11.308 14.048 ( 1.480 -7.348 6.034) 9.623 15.679 ( 0.949 3.053 -7.893) 8.516 15.801 ( 1.231 -2.478 8.458) 8.899 16.544 ( -0.472 0.922 -0.273) 1.071 16.818 ( 5.234 12.452 0.936) 13.540 ======================= Grid point 281 (144/172) ======================= q-point: ( 0.30 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.609 ( 3.285 -3.800 23.668) 24.195 1.868 ( 16.125 -11.885 -1.176) 20.066 2.546 ( -6.319 2.358 -3.555) 7.624 2.564 ( -6.917 0.482 1.685) 7.136 2.785 ( 19.243 -4.475 0.915) 19.778 3.138 ( -7.009 5.395 2.740) 9.260 3.528 ( -5.892 0.448 -2.864) 6.567 3.603 ( -4.486 0.812 -3.816) 5.946 3.815 ( 8.873 3.010 -2.013) 9.583 4.576 ( -11.654 4.062 -3.009) 12.703 5.361 ( -6.359 -1.447 -1.771) 6.758 5.468 ( -4.166 11.146 -0.180) 11.900 6.189 ( 2.780 -7.447 3.180) 8.562 7.031 ( -3.657 7.676 -3.131) 9.061 7.603 ( 7.134 -2.727 -7.616) 10.786 7.845 ( 1.445 -8.617 -0.128) 8.738 8.134 ( 1.714 0.798 0.478) 1.951 8.392 ( 0.792 -0.197 12.049) 12.077 13.713 ( -5.420 -6.922 6.549) 10.962 14.167 ( 4.801 1.619 2.000) 5.448 15.446 ( 0.196 2.205 2.690) 3.484 16.154 ( 2.409 -1.569 -15.747) 16.007 16.514 ( -3.058 1.633 1.030) 3.616 16.681 ( -4.391 5.070 2.018) 7.004 ======================= Grid point 282 (145/172) ======================= q-point: ( 0.40 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.890 ( 1.989 -7.411 14.071) 16.027 2.018 ( 11.134 -3.491 8.510) 14.442 2.390 ( -4.502 -3.497 -1.120) 5.810 2.579 ( -1.902 0.864 2.349) 3.143 2.967 ( 10.436 -1.932 -3.837) 11.286 3.124 ( -5.595 5.058 3.737) 8.417 3.330 ( -1.178 -4.738 -8.273) 9.606 3.564 ( -6.626 7.983 -1.886) 10.544 3.961 ( 10.321 1.000 0.429) 10.378 4.401 ( -11.695 3.932 -3.244) 12.758 5.251 ( -5.835 -0.755 -0.097) 5.884 5.498 ( -4.543 11.707 -0.017) 12.558 6.228 ( 5.592 -6.182 1.946) 8.560 7.000 ( -5.939 6.942 -0.985) 9.189 7.547 ( 4.179 -5.649 -6.746) 9.741 7.833 ( 4.288 -5.009 0.313) 6.601 8.155 ( 0.183 -0.566 0.412) 0.724 8.533 ( 1.016 -0.868 7.810) 7.924 13.697 ( -2.670 -8.244 8.212) 11.939 14.225 ( 5.619 -2.796 -2.849) 6.892 15.526 ( -1.501 3.749 6.352) 7.528 15.984 ( 1.493 1.114 -12.988) 13.121 16.504 ( -2.242 1.820 1.005) 3.058 16.673 ( -4.385 5.610 -0.573) 7.144 ======================= Grid point 283 (146/172) ======================= q-point: ( 0.50 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.975 ( 3.364 -7.505 4.072) 9.177 2.209 ( 2.114 -2.183 3.408) 4.566 2.389 ( -2.830 -2.229 11.681) 12.224 2.605 ( 2.964 -0.073 2.015) 3.584 2.921 ( -0.859 -6.574 -2.030) 6.933 3.136 ( -3.877 5.219 -5.390) 8.445 3.249 ( 8.121 -2.972 -4.626) 9.807 3.514 ( -6.633 9.286 -1.003) 11.456 4.031 ( 4.148 -9.289 -3.885) 10.890 4.310 ( -6.439 13.400 2.063) 15.009 5.208 ( -2.697 2.192 1.820) 3.923 5.523 ( -4.094 11.152 -0.937) 11.917 6.290 ( 6.902 -4.611 0.408) 8.310 6.945 ( -8.678 4.748 0.951) 9.937 7.465 ( 2.871 -7.963 -3.834) 9.293 7.872 ( 4.350 -2.429 0.228) 4.987 8.144 ( -0.251 -1.630 -0.399) 1.697 8.621 ( 1.315 -0.794 3.918) 4.208 13.740 ( 0.698 -8.867 9.737) 13.188 14.207 ( 3.741 -5.020 -4.419) 7.663 15.622 ( -1.843 3.503 6.588) 7.686 15.854 ( 1.110 3.133 -11.444) 11.917 16.515 ( -0.942 2.071 1.806) 2.905 16.642 ( -4.458 6.509 -1.671) 8.064 ======================= Grid point 284 (147/172) ======================= q-point: (-0.40 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.958 ( 0.398 -10.853 -1.731) 10.998 2.223 ( -2.110 -4.990 7.047) 8.889 2.468 ( -1.031 4.396 3.242) 5.558 2.647 ( 1.195 -9.080 -5.438) 10.652 2.878 ( 3.408 2.291 -2.190) 4.654 3.034 ( -3.825 -1.034 1.199) 4.140 3.300 ( 8.714 -0.523 -2.763) 9.156 3.518 ( -6.208 10.935 2.648) 12.850 3.881 ( -1.098 -11.772 -5.605) 13.085 4.440 ( -1.003 15.645 4.503) 16.311 5.262 ( 1.294 5.299 2.700) 6.086 5.534 ( -3.186 10.271 -2.415) 11.021 6.332 ( 3.694 -3.905 -0.925) 5.454 6.887 ( -6.135 2.290 2.493) 7.007 7.405 ( 2.062 -8.242 -0.480) 8.509 7.897 ( 0.309 -2.892 1.257) 3.168 8.122 ( 1.570 -1.805 -1.802) 2.996 8.661 ( 0.939 0.102 -0.034) 0.945 13.834 ( 3.080 -8.582 9.868) 13.436 14.131 ( -0.682 -5.181 -3.760) 6.438 15.691 ( 0.846 2.958 -1.495) 3.421 15.759 ( -0.817 2.471 -3.755) 4.569 16.553 ( 0.624 0.214 1.538) 1.674 16.630 ( -3.433 10.145 -0.285) 10.713 ======================= Grid point 285 (148/172) ======================= q-point: (-0.30 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( -3.521 -17.723 -3.311) 18.370 2.266 ( -3.802 1.635 -3.419) 5.368 2.380 ( 0.633 -8.415 -9.239) 12.513 2.551 ( 2.384 -2.458 3.000) 4.553 2.810 ( -1.867 -3.915 -6.592) 7.891 3.141 ( 2.934 6.990 6.482) 9.974 3.404 ( 3.435 0.548 3.758) 5.120 3.600 ( -1.353 10.368 5.632) 11.876 3.706 ( 0.256 -10.730 -5.287) 11.965 4.614 ( -0.568 15.912 4.050) 16.429 5.373 ( 1.804 6.266 2.324) 6.922 5.545 ( 0.223 10.119 -3.510) 10.713 6.280 ( -3.975 -4.222 -1.654) 6.030 6.910 ( 1.968 0.196 3.602) 4.109 7.382 ( 1.418 -7.304 2.711) 7.919 7.858 ( -4.610 -4.412 1.505) 6.557 8.115 ( 3.326 -1.929 -2.108) 4.385 8.642 ( -0.393 1.307 -4.450) 4.655 13.917 ( 0.035 -5.376 3.032) 6.172 14.030 ( -2.529 -5.801 1.925) 6.615 15.628 ( 2.574 3.940 -10.913) 11.885 15.799 ( -1.130 -2.168 7.873) 8.244 16.560 ( -0.530 0.754 -0.099) 0.927 16.717 ( 1.326 11.623 1.404) 11.782 ======================= Grid point 286 (149/172) ======================= q-point: (-0.20 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.550 ( -1.864 -20.454 -1.494) 20.593 1.908 ( -1.139 -3.879 -28.253) 28.541 2.430 ( 3.445 -12.292 7.541) 14.827 2.557 ( 0.742 -5.296 1.017) 5.444 2.692 ( -4.009 3.979 -2.885) 6.343 3.307 ( 4.462 9.333 -0.464) 10.356 3.465 ( -10.039 2.608 9.872) 14.320 3.581 ( 6.128 -12.694 -2.440) 14.305 3.805 ( 5.353 12.311 3.578) 13.893 4.769 ( -1.845 15.673 2.657) 16.004 5.423 ( -3.226 5.523 0.096) 6.397 5.638 ( 6.672 9.904 -2.143) 12.132 6.143 ( -6.332 -4.299 -1.959) 7.900 7.023 ( 6.000 -1.931 5.522) 8.380 7.410 ( 2.328 -5.260 5.006) 7.626 7.753 ( -7.281 -4.961 0.440) 8.822 8.114 ( 2.153 -2.875 -1.142) 3.769 8.546 ( -1.851 1.912 -9.249) 9.624 13.796 ( -8.829 -0.568 -3.580) 9.544 14.054 ( 1.064 -6.917 5.326) 8.794 15.561 ( 2.949 2.947 -8.289) 9.279 15.894 ( 0.420 -5.205 11.370) 12.512 16.561 ( -0.633 1.570 0.056) 1.693 16.852 ( 3.781 12.002 -1.164) 12.637 ======================= Grid point 342 (150/172) ======================= q-point: ( 0.30 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.716 ( -0.000 0.000 8.968) 8.968 1.716 ( -0.000 0.000 8.968) 8.968 2.036 ( 0.000 -0.000 -20.338) 20.338 2.922 ( 0.000 0.000 0.269) 0.269 2.922 ( -0.000 0.000 0.269) 0.269 3.187 ( -0.000 0.000 3.797) 3.797 3.372 ( 0.000 0.000 0.040) 0.040 3.372 ( 0.000 -0.000 0.040) 0.040 3.505 ( -0.000 0.000 5.086) 5.086 5.173 ( 0.000 -0.000 -6.542) 6.542 5.286 ( 0.000 -0.000 -9.559) 9.559 5.286 ( 0.000 -0.000 -9.559) 9.559 6.518 ( -0.000 0.000 3.500) 3.500 6.518 ( -0.000 0.000 3.500) 3.500 7.787 ( -0.000 0.000 17.956) 17.956 7.984 ( -0.000 0.000 1.788) 1.788 7.984 ( 0.000 0.000 1.788) 1.788 8.418 ( 0.000 -0.000 -12.884) 12.884 13.481 ( -0.000 0.000 7.527) 7.527 13.481 ( -0.000 0.000 7.527) 7.527 15.962 ( 0.000 0.000 -2.964) 2.964 15.962 ( 0.000 -0.000 -2.964) 2.964 16.486 ( 0.000 -0.000 -0.166) 0.166 17.019 ( 0.000 -0.000 -9.022) 9.022 ======================= Grid point 343 (151/172) ======================= q-point: ( 0.40 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.712 ( -7.091 -2.278 -1.794) 7.661 1.901 ( 7.154 -0.532 8.391) 11.040 1.961 ( 6.848 7.195 2.635) 10.277 2.758 ( -10.277 -6.064 0.644) 11.950 3.022 ( 1.475 1.605 -0.208) 2.190 3.195 ( -2.716 -3.905 1.092) 4.880 3.328 ( 3.358 2.554 -0.907) 4.315 3.459 ( 2.887 3.528 -0.843) 4.636 3.599 ( 3.834 1.179 3.559) 5.363 4.980 ( -8.446 -2.850 -7.940) 11.937 5.149 ( 2.914 -4.459 -6.964) 8.767 5.276 ( 4.958 6.890 -7.921) 11.610 6.497 ( -5.083 -2.448 3.460) 6.618 6.618 ( 4.300 2.084 2.348) 5.324 7.972 ( -2.232 -0.108 2.200) 3.136 8.023 ( -0.525 -0.105 14.530) 14.540 8.041 ( 2.431 -0.037 1.985) 3.139 8.239 ( -1.217 -0.599 -10.886) 10.971 13.551 ( -1.754 -0.182 9.005) 9.176 13.683 ( 4.674 1.817 11.300) 12.363 15.786 ( -6.218 -3.923 -5.950) 9.458 16.030 ( 7.086 4.366 -4.534) 9.478 16.486 ( 0.267 0.202 -0.228) 0.405 16.876 ( -2.308 -1.299 -8.780) 9.171 ======================= Grid point 344 (152/172) ======================= q-point: (-0.50 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( -6.691 -1.435 8.230) 10.703 2.110 ( 11.394 -2.567 5.734) 13.011 2.225 ( 6.583 11.746 8.412) 15.877 2.568 ( -11.752 -7.451 0.712) 13.933 2.979 ( -2.803 -1.902 -1.802) 3.836 3.161 ( -2.378 -1.009 0.928) 2.745 3.379 ( 4.370 -0.002 -2.437) 5.003 3.502 ( 3.168 5.334 -4.011) 7.388 3.712 ( 5.134 1.575 2.921) 6.113 4.726 ( -8.671 -3.913 -7.823) 12.316 5.109 ( 6.108 -2.861 -3.618) 7.654 5.291 ( 3.492 7.024 -6.164) 9.976 6.445 ( -6.163 -2.807 3.323) 7.544 6.725 ( 5.565 2.624 0.824) 6.207 7.928 ( -3.271 -2.638 -4.047) 5.834 8.056 ( -1.873 2.965 -2.432) 4.267 8.079 ( 1.999 -1.338 -2.167) 3.237 8.258 ( -1.178 -1.272 14.860) 14.961 13.667 ( -1.628 2.262 9.939) 10.322 13.922 ( 5.115 -0.205 12.410) 13.424 15.589 ( -4.980 -3.629 -6.736) 9.130 16.093 ( 7.982 5.165 -7.163) 11.904 16.487 ( 0.336 0.380 -1.009) 1.130 16.714 ( -3.450 -2.060 -6.451) 7.600 ======================= Grid point 345 (153/172) ======================= q-point: (-0.40 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.740 ( -4.998 -0.053 19.397) 20.031 2.296 ( 2.706 -4.559 2.261) 5.764 2.349 ( -6.147 -4.540 1.318) 7.754 2.476 ( 2.750 7.328 4.779) 9.170 2.951 ( 3.927 0.412 -1.023) 4.079 3.094 ( -7.955 -2.150 0.906) 8.290 3.393 ( 4.741 -0.402 -2.928) 5.587 3.504 ( 3.359 3.900 -7.574) 9.158 3.834 ( 3.490 1.412 3.126) 4.893 4.502 ( -4.338 -2.200 -6.938) 8.473 5.171 ( 9.039 -0.740 -0.402) 9.078 5.313 ( 2.444 6.502 -4.116) 8.074 6.384 ( -6.198 -2.170 3.002) 7.221 6.826 ( 6.182 2.459 -0.772) 6.697 7.754 ( -4.850 -4.165 -7.404) 9.782 8.021 ( -4.459 3.353 -0.758) 5.630 8.090 ( 2.887 -2.323 -0.220) 3.712 8.421 ( -1.544 -0.989 12.774) 12.905 13.802 ( -2.607 4.520 9.883) 11.176 14.117 ( 3.255 -3.342 8.384) 9.595 15.445 ( -1.653 -2.416 -3.008) 4.197 16.104 ( 5.874 4.367 -12.154) 14.187 16.467 ( -0.081 0.425 -1.333) 1.402 16.616 ( -0.500 -1.009 -1.549) 1.915 ======================= Grid point 346 (154/172) ======================= q-point: (-0.30 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.964 ( -5.494 -4.392 16.207) 17.668 2.088 ( -14.861 -1.248 8.257) 17.046 2.431 ( 4.577 0.171 -3.471) 5.746 2.566 ( 2.910 0.024 1.131) 3.122 2.904 ( -10.071 -5.913 0.570) 11.693 3.080 ( 4.516 3.727 0.465) 5.874 3.444 ( 8.695 -1.505 -6.149) 10.755 3.472 ( 3.930 6.235 -4.394) 8.581 3.842 ( -7.135 -4.351 2.366) 8.686 4.455 ( 8.211 5.248 -4.755) 10.843 5.303 ( 9.313 0.115 -1.207) 9.392 5.365 ( 4.075 6.335 0.638) 7.560 6.328 ( -5.891 -0.717 2.424) 6.410 6.901 ( 5.365 1.214 -2.232) 5.936 7.557 ( -5.940 -4.619 -5.517) 9.330 7.953 ( -5.850 1.427 -1.559) 6.220 8.108 ( 1.418 -2.364 1.037) 2.946 8.547 ( -0.780 -0.198 8.912) 8.949 13.918 ( -4.221 5.074 7.382) 9.903 14.149 ( -1.151 -5.832 -0.685) 5.984 15.457 ( 3.016 -0.895 5.460) 6.301 15.974 ( -0.661 0.829 -13.318) 13.360 16.505 ( 3.273 2.850 1.161) 4.493 16.619 ( 3.747 0.517 -1.393) 4.031 ======================= Grid point 353 (155/172) ======================= q-point: ( 0.40 -0.60 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( 2.247 -6.622 6.234) 9.369 1.947 ( -4.508 0.781 8.512) 9.663 2.102 ( 2.519 11.871 9.395) 15.347 2.759 ( -0.273 -12.890 0.673) 12.910 3.011 ( 0.404 -1.625 -0.524) 1.755 3.238 ( -4.229 0.564 -2.562) 4.977 3.263 ( 3.772 1.858 -0.653) 4.255 3.450 ( 0.568 7.759 -3.849) 8.680 3.644 ( -0.445 2.987 3.010) 4.264 4.860 ( 1.294 -10.613 -6.995) 12.776 5.083 ( -5.908 1.545 -5.828) 8.441 5.175 ( 4.585 8.260 -5.687) 11.027 6.584 ( 0.668 0.219 2.794) 2.881 6.599 ( -0.646 -1.755 1.808) 2.601 7.974 ( -0.161 -3.059 0.397) 3.089 8.025 ( 0.207 -1.208 -6.095) 6.217 8.094 ( 0.129 3.778 -3.233) 4.974 8.280 ( -0.134 -0.808 15.077) 15.099 13.663 ( 0.954 -6.200 11.437) 13.044 13.875 ( -0.953 8.941 12.478) 15.380 15.694 ( -0.358 -7.705 -7.356) 10.659 15.947 ( 0.311 8.282 -7.118) 10.925 16.480 ( 0.040 0.070 -0.506) 0.513 16.764 ( -0.006 -1.910 -7.698) 7.932 ======================= Grid point 355 (156/172) ======================= q-point: (-0.50 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.861 ( -1.560 -4.220 16.952) 17.539 2.055 ( 3.532 -0.651 7.445) 8.266 2.381 ( 4.027 12.012 9.752) 15.988 2.621 ( -6.015 -12.003 0.899) 13.456 2.931 ( -1.203 -8.179 -3.298) 8.900 3.207 ( -0.721 4.984 -1.904) 5.384 3.294 ( 2.259 2.102 -3.514) 4.676 3.447 ( 0.749 5.909 -6.085) 8.515 3.724 ( 2.597 5.294 2.471) 6.393 4.661 ( -4.268 -10.184 -6.786) 12.960 5.014 ( 1.326 1.867 -1.891) 2.970 5.229 ( 3.818 8.145 -4.421) 10.023 6.533 ( -5.328 -3.465 1.985) 6.658 6.686 ( 4.926 1.704 1.165) 5.341 7.855 ( -2.649 -3.867 -7.269) 8.649 7.997 ( 2.701 -2.862 -0.629) 3.985 8.104 ( -1.176 5.626 -1.100) 5.852 8.460 ( -0.979 -1.736 13.204) 13.354 13.803 ( 2.200 -5.275 12.421) 13.672 14.088 ( -1.318 6.766 10.596) 12.641 15.514 ( -2.715 -5.519 -6.291) 8.798 15.939 ( 4.733 7.480 -9.361) 12.884 16.471 ( 0.041 0.066 -1.273) 1.276 16.651 ( -1.197 -1.627 -4.977) 5.371 ======================= Grid point 356 (157/172) ======================= q-point: (-0.40 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.067 ( -2.928 -2.768 19.476) 19.888 2.208 ( 7.232 -3.235 5.464) 9.624 2.450 ( -8.474 -8.186 2.717) 12.091 2.588 ( -2.979 5.348 4.479) 7.585 2.858 ( 5.170 -1.479 -2.435) 5.903 3.197 ( -2.026 1.701 -0.553) 2.702 3.257 ( 1.373 1.832 -7.747) 8.078 3.409 ( 1.465 3.716 -6.172) 7.352 3.862 ( 3.862 6.955 3.489) 8.687 4.433 ( -4.565 -8.085 -6.247) 11.191 5.078 ( 5.765 2.677 0.733) 6.398 5.285 ( 3.058 7.595 -2.977) 8.712 6.458 ( -4.396 -5.256 1.815) 7.088 6.778 ( 4.154 4.163 -0.140) 5.883 7.691 ( -3.807 -4.430 -5.412) 7.962 7.995 ( 1.889 -4.237 -0.599) 4.678 8.114 ( -1.664 5.158 -0.665) 5.461 8.580 ( -1.409 -1.931 9.104) 9.413 13.964 ( 1.845 -3.313 11.615) 12.218 14.187 ( -3.311 0.488 2.944) 4.458 15.419 ( -0.113 -1.226 0.486) 1.324 15.913 ( 4.179 5.923 -11.676) 13.743 16.454 ( 0.392 1.040 -1.179) 1.620 16.587 ( -0.145 -0.799 -1.855) 2.026 ======================= Grid point 357 (158/172) ======================= q-point: (-0.30 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.113 ( -7.355 -9.211 3.232) 12.223 2.335 ( 4.245 -3.385 0.243) 5.435 2.388 ( -5.652 1.572 8.168) 10.057 2.617 ( -3.911 0.357 9.685) 10.451 2.872 ( 2.018 -0.141 -5.902) 6.239 3.142 ( -5.112 1.965 -5.225) 7.569 3.240 ( 7.397 -3.103 0.739) 8.056 3.408 ( 4.127 6.990 -4.436) 9.251 3.964 ( -5.366 0.426 4.946) 7.310 4.312 ( 6.228 1.339 -5.722) 8.563 5.194 ( 6.282 2.584 -0.309) 6.800 5.368 ( 4.628 7.675 0.063) 8.963 6.388 ( -2.876 -5.787 1.512) 6.637 6.853 ( 2.439 5.908 -1.397) 6.543 7.540 ( -5.138 -5.102 -2.563) 7.681 7.960 ( -0.538 -3.780 -1.295) 4.032 8.121 ( -1.309 1.942 0.515) 2.398 8.642 ( -0.871 -1.505 4.504) 4.828 14.072 ( -6.654 -2.520 -2.264) 7.466 14.102 ( 0.687 -4.588 4.516) 6.475 15.511 ( 3.264 1.424 8.595) 9.303 15.826 ( 0.968 3.514 -10.817) 11.414 16.497 ( 3.981 4.589 0.312) 6.083 16.568 ( 0.554 -0.481 -1.267) 1.464 ======================= Grid point 364 (159/172) ======================= q-point: ( 0.40 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.799 ( 2.441 -6.367 15.437) 16.876 2.189 ( -8.939 1.196 9.932) 13.416 2.297 ( 1.136 11.321 9.011) 14.514 2.627 ( 5.855 -12.426 0.599) 13.750 2.942 ( 0.565 -6.528 -2.703) 7.088 3.188 ( 1.889 2.986 -3.338) 4.861 3.308 ( -3.880 4.621 -3.230) 6.845 3.435 ( 0.314 4.375 -5.013) 6.661 3.735 ( -2.989 5.964 2.176) 7.017 4.649 ( 4.330 -9.942 -6.344) 12.563 5.117 ( -6.943 0.617 -3.720) 7.901 5.139 ( 1.644 9.244 -3.132) 9.897 6.533 ( 5.829 -3.393 2.326) 7.134 6.686 ( -5.388 1.603 0.873) 5.689 7.875 ( 2.325 -2.620 -8.527) 9.218 7.968 ( -1.465 -3.426 0.784) 3.807 8.109 ( 0.455 4.573 -1.024) 4.708 8.461 ( 0.911 -1.498 13.013) 13.130 13.761 ( 0.050 -7.185 11.811) 13.825 14.126 ( -0.746 8.391 11.050) 13.895 15.528 ( 2.219 -4.718 -6.036) 7.976 15.928 ( -4.386 6.905 -9.574) 12.593 16.468 ( 0.116 -0.196 -1.339) 1.358 16.654 ( 1.016 -1.327 -4.836) 5.116 ======================= Grid point 365 (160/172) ======================= q-point: (-0.50 0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.996 ( 2.828 -5.933 14.740) 16.139 2.261 ( -6.328 -1.073 14.714) 16.053 2.528 ( 2.420 3.380 4.942) 6.458 2.595 ( 2.683 -4.003 4.420) 6.539 2.821 ( -1.904 -8.859 -3.805) 9.828 3.157 ( 0.887 2.123 -7.425) 7.773 3.280 ( -0.717 5.848 -3.765) 6.992 3.402 ( 0.552 5.391 -6.543) 8.496 3.798 ( -0.464 8.839 2.484) 9.193 4.516 ( 0.210 -12.136 -5.146) 13.184 5.033 ( -2.637 3.175 -0.449) 4.151 5.202 ( 2.460 9.217 -2.814) 9.946 6.569 ( -0.877 -5.041 0.156) 5.119 6.672 ( 0.860 2.655 2.002) 3.435 7.754 ( -0.604 -4.335 -5.957) 7.392 7.957 ( 0.426 -2.395 0.803) 2.562 8.131 ( 0.270 4.660 -1.688) 4.964 8.604 ( -0.050 -2.327 9.225) 9.514 13.886 ( 2.454 -7.626 12.427) 14.785 14.280 ( -2.180 4.583 5.183) 7.254 15.443 ( -1.027 -2.046 -1.637) 2.814 15.828 ( 0.836 7.752 -10.714) 13.251 16.449 ( 0.239 0.064 -1.622) 1.640 16.597 ( -0.288 -0.778 -2.683) 2.809 ======================= Grid point 367 (161/172) ======================= q-point: (-0.40 0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.174 ( 4.181 -4.488 10.070) 11.791 2.292 ( -6.692 -9.787 6.000) 13.288 2.534 ( -1.264 -6.529 3.433) 7.484 2.729 ( -2.932 -1.613 7.033) 7.789 2.790 ( 3.283 9.368 2.437) 10.222 3.036 ( 2.980 -1.854 -11.969) 12.473 3.272 ( -0.189 4.293 -2.719) 5.085 3.357 ( -0.453 5.084 -5.410) 7.438 3.931 ( 3.108 11.504 2.583) 12.193 4.336 ( -3.282 -12.376 -3.535) 13.283 5.077 ( 1.899 5.102 1.890) 5.763 5.269 ( 2.789 8.624 -2.665) 9.448 6.481 ( -4.166 -6.666 0.250) 7.865 6.764 ( 4.095 4.756 0.923) 6.343 7.639 ( -2.092 -5.151 -2.799) 6.225 7.949 ( 0.082 -3.690 0.711) 3.758 8.146 ( 0.155 4.360 -1.744) 4.698 8.673 ( -0.921 -2.533 4.710) 5.427 14.031 ( 3.450 -7.010 10.435) 13.036 14.249 ( -5.481 -1.945 -3.074) 6.578 15.469 ( -0.055 3.208 6.090) 6.883 15.762 ( 2.764 6.632 -11.278) 13.372 16.441 ( 0.729 1.743 -0.951) 2.115 16.566 ( -0.205 -0.518 -0.714) 0.906 ======================= Grid point 368 (162/172) ======================= q-point: (-0.30 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.149 ( -6.957 -9.444 -0.167) 11.731 2.272 ( 1.882 -5.437 1.210) 5.880 2.477 ( -1.933 -2.927 1.251) 3.724 2.733 ( -1.729 1.200 -13.494) 13.657 2.892 ( -2.795 2.521 14.955) 15.422 3.008 ( 5.787 0.602 -3.142) 6.612 3.259 ( -0.871 -1.166 0.163) 1.465 3.372 ( 3.265 8.206 -1.075) 8.897 4.114 ( 2.602 11.729 3.593) 12.540 4.161 ( -1.347 -9.907 -3.047) 10.452 5.172 ( 1.858 4.952 0.715) 5.337 5.359 ( 5.293 8.813 -0.908) 10.320 6.378 ( -2.836 -8.063 0.184) 8.549 6.866 ( 2.837 7.584 -0.189) 8.099 7.543 ( -3.545 -5.785 0.528) 6.805 7.918 ( -0.454 -5.037 0.152) 5.060 8.153 ( -0.601 2.554 -0.805) 2.744 8.672 ( -1.059 -2.156 0.064) 2.403 14.009 ( -6.095 -5.590 -8.374) 11.769 14.178 ( 0.303 -5.598 7.366) 9.257 15.617 ( 1.248 3.477 6.799) 7.738 15.708 ( 2.970 4.842 -6.166) 8.383 16.480 ( 2.675 4.606 -0.926) 5.406 16.565 ( 0.198 0.454 1.177) 1.277 ======================= Grid point 376 (163/172) ======================= q-point: ( 0.40 -0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.985 ( -0.844 -5.002 18.871) 19.541 2.393 ( 1.331 -3.171 4.800) 5.904 2.425 ( 8.276 -5.296 2.741) 10.200 2.481 ( -2.770 2.392 5.211) 6.368 2.899 ( -4.236 1.041 -1.831) 4.731 3.129 ( 2.956 -0.405 -2.720) 4.037 3.335 ( -2.880 6.276 -5.658) 8.928 3.377 ( -0.785 0.545 -5.766) 5.845 3.875 ( -3.749 7.627 3.371) 9.143 4.428 ( 4.576 -8.009 -6.185) 11.106 5.171 ( -6.126 1.651 -2.832) 6.948 5.197 ( -2.844 8.522 0.264) 8.988 6.450 ( 5.506 -5.441 1.958) 7.984 6.785 ( -5.110 4.253 -0.227) 6.652 7.709 ( 3.953 -3.353 -6.142) 8.038 7.966 ( -0.482 -4.110 0.468) 4.165 8.121 ( 0.210 3.545 -0.736) 3.627 8.581 ( 1.499 -1.771 8.960) 9.256 13.866 ( -0.929 -8.029 11.053) 13.693 14.270 ( 2.840 3.924 3.388) 5.911 15.452 ( 0.110 0.809 1.046) 1.327 15.890 ( -4.452 4.664 -12.095) 13.706 16.445 ( -0.350 0.335 -1.127) 1.227 16.599 ( -0.029 0.266 -1.943) 1.961 ======================= Grid point 377 (164/172) ======================= q-point: ( 0.50 -0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.135 ( -0.939 -5.377 12.071) 13.248 2.420 ( 3.319 -10.524 -0.780) 11.063 2.487 ( -0.695 -6.666 8.164) 10.563 2.614 ( 5.446 3.948 4.592) 8.145 2.861 ( -4.495 4.990 5.191) 8.489 3.042 ( -1.806 -0.215 -11.440) 11.583 3.289 ( -1.698 5.849 -3.210) 6.885 3.330 ( 2.258 2.603 -5.296) 6.319 3.937 ( -3.652 11.388 2.040) 12.132 4.338 ( 3.441 -11.844 -3.415) 12.798 5.101 ( -3.433 3.436 0.046) 4.857 5.241 ( -1.253 9.624 -0.852) 9.743 6.495 ( 4.661 -5.465 0.111) 7.184 6.751 ( -4.585 3.672 1.054) 5.968 7.646 ( 1.615 -5.048 -3.414) 6.304 7.956 ( 0.268 -2.228 1.342) 2.614 8.131 ( 0.103 2.787 -1.586) 3.209 8.674 ( 0.894 -2.364 4.636) 5.280 13.958 ( 1.548 -8.378 11.197) 14.070 14.315 ( 1.223 -0.740 -3.239) 3.540 15.501 ( -2.046 3.612 5.991) 7.288 15.734 ( -1.171 6.219 -11.586) 13.202 16.435 ( -0.315 1.389 -0.580) 1.538 16.574 ( -0.360 -0.037 -1.208) 1.261 ======================= Grid point 378 (165/172) ======================= q-point: (-0.40 -0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.222 ( 1.760 -7.237 5.886) 9.493 2.345 ( -5.439 -9.285 1.777) 10.906 2.451 ( 1.932 -4.900 -1.890) 5.596 2.802 ( -0.272 -2.754 -14.921) 15.176 2.808 ( 3.844 5.790 4.334) 8.190 2.990 ( -2.700 3.456 11.153) 11.984 3.261 ( -0.956 4.349 -3.048) 5.396 3.333 ( 1.648 4.105 -2.167) 4.926 3.996 ( 0.429 8.881 -3.020) 9.390 4.264 ( -0.562 -8.778 2.948) 9.277 5.137 ( 0.614 6.115 2.136) 6.506 5.284 ( -0.188 8.996 -2.024) 9.223 6.467 ( -1.341 -6.075 -1.098) 6.318 6.776 ( 1.231 4.316 1.702) 4.800 7.589 ( 0.084 -6.084 -0.188) 6.088 7.955 ( -1.540 -2.907 1.967) 3.833 8.134 ( 1.350 2.560 -2.128) 3.592 8.693 ( -0.083 -2.276 0.072) 2.278 14.060 ( 1.737 -7.503 7.544) 10.781 14.214 ( -2.115 -3.693 -5.858) 7.240 15.613 ( 1.626 5.152 1.481) 5.602 15.641 ( -1.281 5.525 -2.756) 6.306 16.447 ( -0.004 3.339 0.042) 3.339 16.563 ( 0.019 -0.225 0.287) 0.365 ======================= Grid point 379 (166/172) ======================= q-point: (-0.30 -0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.152 ( -6.020 -16.028 -0.104) 17.122 2.194 ( -1.465 -0.864 -8.878) 9.040 2.458 ( 1.244 -1.171 -3.586) 3.973 2.585 ( -0.334 0.168 -5.559) 5.572 2.957 ( 2.610 -0.432 1.714) 3.152 3.056 ( 0.697 0.977 2.525) 2.795 3.302 ( -3.382 3.070 5.052) 6.811 3.398 ( 3.919 7.735 2.079) 8.917 3.984 ( 4.540 -4.420 -4.984) 8.062 4.296 ( -2.954 5.775 6.175) 8.956 5.231 ( -0.761 6.009 2.244) 6.459 5.343 ( 4.406 9.506 -2.070) 10.680 6.357 ( -4.005 -7.257 -1.294) 8.390 6.878 ( 4.093 6.248 1.117) 7.552 7.553 ( -1.032 -6.564 3.270) 7.406 7.913 ( -3.317 -4.653 1.049) 5.810 8.149 ( 1.581 1.568 -1.177) 2.519 8.640 ( -0.881 -1.741 -4.438) 4.848 13.947 ( -7.226 -3.823 -8.295) 11.646 14.197 ( 2.491 -6.198 5.042) 8.369 15.565 ( 2.439 4.278 -8.678) 9.978 15.794 ( 0.685 2.648 11.417) 11.740 16.481 ( 0.648 4.447 -0.792) 4.563 16.590 ( 1.064 1.914 2.104) 3.037 ======================= Grid point 459 (167/172) ======================= q-point: ( 0.40 0.40 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.957 ( -0.000 0.000 15.882) 15.882 2.100 ( -0.000 0.000 10.145) 10.145 2.100 ( -0.000 0.000 10.145) 10.145 2.942 ( 0.000 0.000 0.489) 0.489 2.942 ( 0.000 0.000 0.489) 0.489 3.233 ( 0.000 -0.000 -1.791) 1.791 3.252 ( 0.000 0.000 -6.357) 6.357 3.252 ( 0.000 -0.000 -6.357) 6.357 3.649 ( -0.000 0.000 1.330) 1.330 4.880 ( 0.000 -0.000 -6.978) 6.978 5.011 ( 0.000 -0.000 -3.459) 3.459 5.011 ( 0.000 -0.000 -3.459) 3.459 6.625 ( -0.000 0.000 1.671) 1.671 6.625 ( -0.000 0.000 1.671) 1.671 7.933 ( 0.000 -0.000 -8.955) 8.955 8.017 ( -0.000 0.000 -0.028) 0.028 8.017 ( 0.000 -0.000 -0.028) 0.028 8.490 ( -0.000 0.000 13.549) 13.549 13.931 ( -0.000 0.000 12.840) 12.840 13.931 ( -0.000 0.000 12.840) 12.840 15.709 ( 0.000 0.000 -8.567) 8.567 15.709 ( 0.000 -0.000 -8.567) 8.567 16.471 ( 0.000 -0.000 -0.931) 0.931 16.681 ( 0.000 -0.000 -6.261) 6.261 ======================= Grid point 462 (168/172) ======================= q-point: (-0.50 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.136 ( -6.925 2.274 17.600) 19.050 2.231 ( 6.270 -7.555 10.407) 14.307 2.360 ( 4.882 7.908 11.494) 14.781 2.781 ( -10.009 -6.180 0.140) 11.764 2.983 ( -5.914 -3.641 -3.654) 7.847 3.101 ( 3.654 3.088 -3.450) 5.898 3.194 ( 2.047 1.038 -7.342) 7.692 3.283 ( 5.685 3.091 -6.503) 9.174 3.696 ( 3.568 1.833 1.562) 4.305 4.697 ( -8.518 -4.295 -5.289) 10.908 4.992 ( 4.402 -1.989 -1.105) 4.956 5.061 ( 4.609 6.580 -2.606) 8.446 6.601 ( -3.653 -2.212 1.610) 4.564 6.674 ( 2.466 1.522 0.440) 2.931 7.807 ( -2.269 -1.600 -5.966) 6.580 8.017 ( 0.013 2.593 0.174) 2.598 8.033 ( 1.847 -1.201 -0.873) 2.370 8.636 ( -1.294 -0.745 9.500) 9.616 14.024 ( -4.391 -0.373 12.164) 12.938 14.168 ( 3.883 0.165 9.384) 10.157 15.502 ( -3.805 -2.852 -5.622) 7.363 15.705 ( 6.409 4.287 -9.986) 12.616 16.451 ( -0.291 -0.095 -1.625) 1.653 16.609 ( -0.469 -0.351 -3.329) 3.380 ======================= Grid point 463 (169/172) ======================= q-point: (-0.40 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.289 ( -5.296 2.541 10.962) 12.437 2.370 ( 5.311 -5.948 4.911) 9.365 2.582 ( -12.830 -5.416 0.709) 13.945 2.612 ( -0.027 3.386 12.814) 13.253 2.828 ( 0.759 -1.978 -5.635) 6.020 3.096 ( 1.640 2.857 -11.160) 11.636 3.175 ( 3.945 0.982 0.919) 4.168 3.284 ( 3.679 2.211 -4.507) 6.224 3.819 ( 7.255 3.829 2.259) 8.509 4.472 ( -9.763 -5.381 -3.750) 11.762 5.056 ( 6.430 0.807 -0.376) 6.492 5.150 ( 5.148 5.644 -0.773) 7.678 6.542 ( -5.136 -2.638 1.469) 5.958 6.726 ( 3.610 1.762 -0.686) 4.075 7.689 ( -3.759 -2.489 -2.906) 5.364 8.011 ( -1.534 0.597 -1.540) 2.254 8.067 ( 3.057 0.671 1.010) 3.288 8.701 ( -2.167 -1.233 4.749) 5.363 14.121 ( -5.165 1.941 9.733) 11.188 14.243 ( -0.021 -4.567 -0.242) 4.574 15.459 ( 2.143 -0.351 3.662) 4.257 15.675 ( 5.160 4.282 -10.774) 12.690 16.428 ( 0.139 0.255 -1.043) 1.082 16.575 ( -0.057 -0.254 -1.135) 1.165 ======================= Grid point 472 (170/172) ======================= q-point: (-0.50 0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.268 ( 0.758 -6.154 9.999) 11.766 2.426 ( -2.392 5.494 5.498) 8.132 2.540 ( 1.673 3.201 17.944) 18.304 2.786 ( 0.166 -11.413 1.541) 11.517 2.902 ( -0.314 -9.661 -5.526) 11.134 3.021 ( 0.172 0.427 -10.414) 10.424 3.119 ( 0.087 8.340 -2.378) 8.673 3.206 ( -0.071 8.209 -6.303) 10.350 3.717 ( -0.104 4.726 1.311) 4.906 4.637 ( 0.203 -9.984 -2.940) 10.410 4.981 ( -2.067 2.646 -0.197) 3.364 5.040 ( 1.874 7.692 -1.338) 8.029 6.634 ( -0.333 -2.973 -0.029) 2.992 6.661 ( 0.330 1.391 1.039) 1.768 7.746 ( -0.102 -2.484 -3.089) 3.965 7.996 ( 0.264 -1.270 0.576) 1.419 8.046 ( -0.156 3.420 -1.041) 3.578 8.734 ( 0.003 -1.642 4.903) 5.170 14.153 ( 1.413 -5.928 9.709) 11.463 14.278 ( -1.359 2.896 3.227) 4.544 15.452 ( -0.638 -1.366 -0.970) 1.793 15.577 ( 0.597 6.138 -8.767) 10.719 16.431 ( 0.043 -0.279 -1.292) 1.323 16.578 ( -0.049 -0.239 -1.324) 1.346 ======================= Grid point 474 (171/172) ======================= q-point: (-0.40 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.325 ( -1.986 -3.279 -1.034) 3.971 2.443 ( -0.713 -1.691 2.878) 3.413 2.675 ( -3.168 -9.093 -1.505) 9.746 2.712 ( -4.036 -2.740 -3.262) 5.868 2.856 ( 0.736 4.583 7.250) 8.608 2.881 ( 1.855 -0.520 -4.168) 4.592 3.202 ( 4.081 3.623 -1.298) 5.609 3.216 ( 1.533 6.142 1.031) 6.413 3.802 ( 4.144 7.226 0.159) 8.332 4.492 ( -5.876 -10.291 -0.102) 11.850 5.026 ( 2.267 4.179 1.455) 4.972 5.118 ( 4.080 6.935 -1.373) 8.162 6.576 ( -2.601 -5.075 0.093) 5.704 6.705 ( 1.639 3.403 -0.089) 3.778 7.688 ( -1.966 -3.387 0.143) 3.919 7.994 ( -0.404 -1.364 -0.220) 1.440 8.070 ( 1.529 3.263 0.063) 3.604 8.743 ( -1.235 -2.150 -0.004) 2.479 14.195 ( -3.206 -4.613 -4.763) 7.365 14.262 ( -0.313 -1.576 4.622) 4.894 15.512 ( 1.457 3.338 6.311) 7.287 15.536 ( 3.094 4.634 -6.205) 8.340 16.420 ( 0.057 0.099 -0.084) 0.142 16.567 ( -0.097 -0.167 0.103) 0.219 ======================= Grid point 590 (172/172) ======================= q-point: (-0.50 -0.50 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 6.24e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.398 ( -0.000 0.000 0.000) 0.000 2.398 ( -0.000 0.000 0.000) 0.000 2.731 ( 0.000 0.000 -0.000) 0.000 2.872 ( 0.000 0.000 0.000) 0.000 2.965 ( -0.000 -0.000 0.000) 0.000 2.965 ( 0.000 0.000 0.000) 0.000 3.012 ( -0.000 -0.000 -0.000) 0.000 3.012 ( 0.000 0.000 0.000) 0.000 3.689 ( -0.000 0.000 0.000) 0.000 4.710 ( -0.000 0.000 0.000) 0.000 4.957 ( 0.000 0.000 0.000) 0.000 4.957 ( -0.000 0.000 0.000) 0.000 6.657 ( 0.000 0.000 0.000) 0.000 6.657 ( -0.000 0.000 0.000) 0.000 7.745 ( -0.000 0.000 0.000) 0.000 8.010 ( 0.000 0.000 0.000) 0.000 8.010 ( -0.000 0.000 0.000) 0.000 8.780 ( 0.000 0.000 0.000) 0.000 14.278 ( 0.000 0.000 0.000) 0.000 14.278 ( 0.000 0.000 0.000) 0.000 15.457 ( -0.000 0.000 0.000) 0.000 15.457 ( 0.000 0.000 0.000) 0.000 16.424 ( -0.000 0.000 0.000) 0.000 16.570 ( -0.000 0.000 0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/24000 10.0 330.471 330.471 317.546 0.000 -0.000 0.000 3/24000 20.0 54.239 54.239 65.525 0.000 -0.000 0.000 3/24000 30.0 23.912 23.912 29.565 0.000 -0.000 0.000 3/24000 40.0 15.072 15.072 18.515 0.000 -0.000 0.000 3/24000 50.0 10.945 10.945 13.299 0.000 -0.000 0.000 3/24000 60.0 8.592 8.592 10.341 0.000 -0.000 0.000 3/24000 70.0 7.090 7.090 8.474 0.000 -0.000 0.000 3/24000 80.0 6.053 6.053 7.202 0.000 -0.000 0.000 3/24000 90.0 5.296 5.296 6.286 0.000 -0.000 0.000 3/24000 100.0 4.718 4.718 5.595 0.000 -0.000 0.000 3/24000 110.0 4.262 4.262 5.055 0.000 -0.000 0.000 3/24000 120.0 3.892 3.892 4.621 0.000 -0.000 0.000 3/24000 130.0 3.585 3.585 4.263 0.000 -0.000 0.000 3/24000 140.0 3.326 3.326 3.963 0.000 -0.000 0.000 3/24000 150.0 3.104 3.104 3.706 0.000 -0.000 0.000 3/24000 160.0 2.912 2.912 3.484 0.000 -0.000 0.000 3/24000 170.0 2.743 2.743 3.290 0.000 -0.000 0.000 3/24000 180.0 2.593 2.593 3.118 0.000 -0.000 0.000 3/24000 190.0 2.460 2.460 2.965 0.000 -0.000 0.000 3/24000 200.0 2.340 2.340 2.826 0.000 -0.000 0.000 3/24000 210.0 2.231 2.231 2.701 0.000 -0.000 0.000 3/24000 220.0 2.133 2.133 2.588 0.000 -0.000 0.000 3/24000 230.0 2.043 2.043 2.483 0.000 -0.000 0.000 3/24000 240.0 1.961 1.961 2.388 0.000 -0.000 0.000 3/24000 250.0 1.885 1.885 2.299 0.000 -0.000 0.000 3/24000 260.0 1.814 1.814 2.217 0.000 -0.000 0.000 3/24000 270.0 1.749 1.749 2.141 0.000 -0.000 0.000 3/24000 280.0 1.689 1.689 2.070 0.000 -0.000 0.000 3/24000 290.0 1.632 1.632 2.003 0.000 -0.000 0.000 3/24000 300.0 1.580 1.580 1.941 0.000 -0.000 0.000 3/24000 310.0 1.530 1.530 1.883 0.000 -0.000 0.000 3/24000 320.0 1.484 1.484 1.828 0.000 -0.000 0.000 3/24000 330.0 1.440 1.440 1.776 0.000 -0.000 0.000 3/24000 340.0 1.399 1.399 1.727 0.000 -0.000 0.000 3/24000 350.0 1.360 1.360 1.680 0.000 -0.000 0.000 3/24000 360.0 1.323 1.323 1.636 0.000 -0.000 0.000 3/24000 370.0 1.288 1.288 1.594 0.000 -0.000 0.000 3/24000 380.0 1.255 1.255 1.555 0.000 -0.000 0.000 3/24000 390.0 1.224 1.224 1.517 0.000 -0.000 0.000 3/24000 400.0 1.194 1.194 1.481 0.000 -0.000 0.000 3/24000 410.0 1.165 1.165 1.447 0.000 -0.000 0.000 3/24000 420.0 1.138 1.138 1.414 0.000 -0.000 0.000 3/24000 430.0 1.112 1.112 1.382 0.000 -0.000 0.000 3/24000 440.0 1.088 1.088 1.352 0.000 -0.000 0.000 3/24000 450.0 1.064 1.064 1.324 0.000 -0.000 0.000 3/24000 460.0 1.041 1.041 1.296 0.000 -0.000 0.000 3/24000 470.0 1.020 1.020 1.270 0.000 -0.000 0.000 3/24000 480.0 0.999 0.999 1.244 0.000 -0.000 0.000 3/24000 490.0 0.979 0.979 1.220 0.000 -0.000 0.000 3/24000 500.0 0.960 0.960 1.196 0.000 -0.000 0.000 3/24000 510.0 0.941 0.941 1.174 0.000 -0.000 0.000 3/24000 520.0 0.923 0.923 1.152 0.000 -0.000 0.000 3/24000 530.0 0.906 0.906 1.131 0.000 -0.000 0.000 3/24000 540.0 0.890 0.890 1.111 0.000 -0.000 0.000 3/24000 550.0 0.874 0.874 1.091 0.000 -0.000 0.000 3/24000 560.0 0.858 0.858 1.072 0.000 -0.000 0.000 3/24000 570.0 0.843 0.843 1.054 0.000 -0.000 0.000 3/24000 580.0 0.829 0.829 1.036 0.000 -0.000 0.000 3/24000 590.0 0.815 0.815 1.019 0.000 -0.000 0.000 3/24000 600.0 0.802 0.802 1.003 0.000 -0.000 0.000 3/24000 610.0 0.789 0.789 0.987 0.000 -0.000 0.000 3/24000 620.0 0.776 0.776 0.971 0.000 -0.000 0.000 3/24000 630.0 0.764 0.764 0.956 0.000 -0.000 0.000 3/24000 640.0 0.752 0.752 0.942 0.000 -0.000 0.000 3/24000 650.0 0.741 0.741 0.928 0.000 -0.000 0.000 3/24000 660.0 0.730 0.730 0.914 0.000 -0.000 0.000 3/24000 670.0 0.719 0.719 0.900 0.000 -0.000 0.000 3/24000 680.0 0.709 0.709 0.888 0.000 -0.000 0.000 3/24000 690.0 0.698 0.698 0.875 0.000 -0.000 0.000 3/24000 700.0 0.689 0.689 0.863 0.000 -0.000 0.000 3/24000 710.0 0.679 0.679 0.851 0.000 -0.000 0.000 3/24000 720.0 0.670 0.670 0.839 0.000 -0.000 0.000 3/24000 730.0 0.661 0.661 0.828 0.000 -0.000 0.000 3/24000 740.0 0.652 0.652 0.817 0.000 -0.000 0.000 3/24000 750.0 0.643 0.643 0.806 0.000 -0.000 0.000 3/24000 760.0 0.635 0.635 0.796 0.000 -0.000 0.000 3/24000 770.0 0.627 0.627 0.786 0.000 -0.000 0.000 3/24000 780.0 0.619 0.619 0.776 0.000 -0.000 0.000 3/24000 790.0 0.611 0.611 0.766 0.000 -0.000 0.000 3/24000 800.0 0.603 0.603 0.757 0.000 -0.000 0.000 3/24000 810.0 0.596 0.596 0.748 0.000 -0.000 0.000 3/24000 820.0 0.589 0.589 0.739 0.000 -0.000 0.000 3/24000 830.0 0.582 0.582 0.730 0.000 -0.000 0.000 3/24000 840.0 0.575 0.575 0.721 0.000 -0.000 0.000 3/24000 850.0 0.568 0.568 0.713 0.000 -0.000 0.000 3/24000 860.0 0.561 0.561 0.705 0.000 -0.000 0.000 3/24000 870.0 0.555 0.555 0.697 0.000 -0.000 0.000 3/24000 880.0 0.549 0.549 0.689 0.000 -0.000 0.000 3/24000 890.0 0.543 0.543 0.681 0.000 -0.000 0.000 3/24000 900.0 0.537 0.537 0.674 0.000 -0.000 0.000 3/24000 910.0 0.531 0.531 0.667 0.000 -0.000 0.000 3/24000 920.0 0.525 0.525 0.660 0.000 -0.000 0.000 3/24000 930.0 0.519 0.519 0.653 0.000 -0.000 0.000 3/24000 940.0 0.514 0.514 0.646 0.000 -0.000 0.000 3/24000 950.0 0.509 0.509 0.639 0.000 -0.000 0.000 3/24000 960.0 0.503 0.503 0.632 0.000 -0.000 0.000 3/24000 970.0 0.498 0.498 0.626 0.000 -0.000 0.000 3/24000 980.0 0.493 0.493 0.620 0.000 -0.000 0.000 3/24000 990.0 0.488 0.488 0.613 0.000 -0.000 0.000 3/24000 1000.0 0.483 0.483 0.607 0.000 -0.000 0.000 3/24000 Thermal conductivity related properties were written into "kappa-m101010.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:52:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|