----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:48:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3 (148) Number of symmetry operations in supercell: 72 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.644272030503860 1.526671168621999 4.898807823333327 b -2.644272030503855 1.526671168621999 4.898807823333327 c 0.000000000000003 -3.053342337244002 4.898807823333327 Atomic positions (fractional): *1 F 0.08687553792037 0.77576429195549 0.37048250997516 18.998 2 F 0.77576429195548 0.37048250997516 0.08687553792037 18.998 3 F 0.62951749002484 0.91312446207963 0.22423570804452 18.998 4 F 0.22423570804452 0.62951749002484 0.91312446207963 18.998 5 F 0.91312446207963 0.22423570804452 0.62951749002484 18.998 6 F 0.37048250997516 0.08687553792037 0.77576429195548 18.998 *7 Ca 0.50000000000000 0.50000000000000 0.50000000000000 40.078 *8 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.288544061007714 0.000000000000000 0.000000000000000 b -2.644272030503857 4.580013505866001 0.000000000000000 c 0.000000000000000 0.000000000000000 14.696423469999996 Atomic positions (fractional): *1 F 0.00916809130336 0.70722493664185 0.07770744661700 18.998 > 1 2 F 0.69805684533848 0.99083190869664 0.07770744661700 18.998 > 2 3 F 0.37389160330851 0.03139017867181 0.25562588671633 18.998 > 3 4 F 0.96860982132818 0.34250142463670 0.25562588671633 18.998 > 4 5 F 0.65749857536330 0.62610839669149 0.25562588671633 18.998 > 5 6 F 0.29277506335815 0.30194315466152 0.07770744661700 18.998 > 6 7 F 0.67583475797003 0.04055826997518 0.41104077995034 18.998 > 1 8 F 0.36472351200515 0.32416524202997 0.41104077995034 18.998 > 2 9 F 0.04055826997518 0.36472351200515 0.58895922004967 18.998 > 3 10 F 0.63527648799485 0.67583475797003 0.58895922004967 18.998 > 4 11 F 0.32416524202997 0.95944173002482 0.58895922004967 18.998 > 5 12 F 0.95944173002482 0.63527648799485 0.41104077995034 18.998 > 6 13 F 0.34250142463670 0.37389160330851 0.74437411328367 18.998 > 1 14 F 0.03139017867181 0.65749857536330 0.74437411328367 18.998 > 2 15 F 0.70722493664185 0.69805684533848 0.92229255338300 18.998 > 3 16 F 0.30194315466152 0.00916809130336 0.92229255338300 18.998 > 4 17 F 0.99083190869664 0.29277506335815 0.92229255338300 18.998 > 5 18 F 0.62610839669149 0.96860982132818 0.74437411328367 18.998 > 6 *19 Ca 0.33333333333333 0.66666666666667 0.16666666666667 40.078 > 7 20 Ca 0.00000000000000 0.00000000000000 0.50000000000000 40.078 > 7 21 Ca 0.66666666666667 0.33333333333333 0.83333333333333 40.078 > 7 *22 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 > 8 23 Pt 0.66666666666667 0.33333333333333 0.33333333333333 195.084 > 8 24 Pt 0.33333333333333 0.66666666666667 0.66666666666667 195.084 > 8 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.577088122015429 0.000000000000000 0.000000000000000 b -5.288544061007714 9.160027011732002 0.000000000000000 c 0.000000000000000 0.000000000000000 14.696423469999996 Atomic positions (fractional): *1 F 0.00458404565168 0.35361246832092 0.07770744661700 18.998 > 1 2 F 0.50458404565168 0.35361246832092 0.07770744661700 18.998 > 1 3 F 0.00458404565168 0.85361246832092 0.07770744661700 18.998 > 1 4 F 0.50458404565168 0.85361246832092 0.07770744661700 18.998 > 1 5 F 0.34902842266924 0.49541595434832 0.07770744661700 18.998 > 2 6 F 0.84902842266924 0.49541595434832 0.07770744661700 18.998 > 2 7 F 0.34902842266924 0.99541595434832 0.07770744661700 18.998 > 2 8 F 0.84902842266924 0.99541595434832 0.07770744661700 18.998 > 2 9 F 0.18694580165426 0.01569508933591 0.25562588671633 18.998 > 3 10 F 0.68694580165426 0.01569508933591 0.25562588671633 18.998 > 3 11 F 0.18694580165426 0.51569508933591 0.25562588671633 18.998 > 3 12 F 0.68694580165426 0.51569508933591 0.25562588671633 18.998 > 3 13 F 0.48430491066409 0.17125071231835 0.25562588671633 18.998 > 4 14 F 0.98430491066409 0.17125071231835 0.25562588671633 18.998 > 4 15 F 0.48430491066409 0.67125071231835 0.25562588671633 18.998 > 4 16 F 0.98430491066409 0.67125071231835 0.25562588671633 18.998 > 4 17 F 0.32874928768165 0.31305419834574 0.25562588671633 18.998 > 5 18 F 0.82874928768165 0.31305419834574 0.25562588671633 18.998 > 5 19 F 0.32874928768165 0.81305419834574 0.25562588671633 18.998 > 5 20 F 0.82874928768165 0.81305419834574 0.25562588671633 18.998 > 5 21 F 0.14638753167908 0.15097157733076 0.07770744661700 18.998 > 6 22 F 0.64638753167908 0.15097157733076 0.07770744661700 18.998 > 6 23 F 0.14638753167908 0.65097157733076 0.07770744661700 18.998 > 6 24 F 0.64638753167908 0.65097157733076 0.07770744661700 18.998 > 6 25 F 0.33791737898502 0.02027913498759 0.41104077995034 18.998 > 1 26 F 0.83791737898501 0.02027913498759 0.41104077995034 18.998 > 1 27 F 0.33791737898502 0.52027913498759 0.41104077995034 18.998 > 1 28 F 0.83791737898501 0.52027913498759 0.41104077995034 18.998 > 1 29 F 0.18236175600257 0.16208262101498 0.41104077995034 18.998 > 2 30 F 0.68236175600257 0.16208262101498 0.41104077995034 18.998 > 2 31 F 0.18236175600257 0.66208262101498 0.41104077995034 18.998 > 2 32 F 0.68236175600257 0.66208262101498 0.41104077995034 18.998 > 2 33 F 0.02027913498759 0.18236175600257 0.58895922004967 18.998 > 3 34 F 0.52027913498759 0.18236175600257 0.58895922004967 18.998 > 3 35 F 0.02027913498759 0.68236175600257 0.58895922004967 18.998 > 3 36 F 0.52027913498759 0.68236175600257 0.58895922004967 18.998 > 3 37 F 0.31763824399743 0.33791737898502 0.58895922004967 18.998 > 4 38 F 0.81763824399743 0.33791737898502 0.58895922004967 18.998 > 4 39 F 0.31763824399743 0.83791737898501 0.58895922004967 18.998 > 4 40 F 0.81763824399743 0.83791737898501 0.58895922004967 18.998 > 4 41 F 0.16208262101498 0.47972086501241 0.58895922004967 18.998 > 5 42 F 0.66208262101498 0.47972086501241 0.58895922004967 18.998 > 5 43 F 0.16208262101498 0.97972086501241 0.58895922004967 18.998 > 5 44 F 0.66208262101498 0.97972086501241 0.58895922004967 18.998 > 5 45 F 0.47972086501241 0.31763824399743 0.41104077995034 18.998 > 6 46 F 0.97972086501241 0.31763824399743 0.41104077995034 18.998 > 6 47 F 0.47972086501241 0.81763824399743 0.41104077995034 18.998 > 6 48 F 0.97972086501241 0.81763824399743 0.41104077995034 18.998 > 6 49 F 0.17125071231835 0.18694580165426 0.74437411328367 18.998 > 1 50 F 0.67125071231835 0.18694580165426 0.74437411328367 18.998 > 1 51 F 0.17125071231835 0.68694580165426 0.74437411328367 18.998 > 1 52 F 0.67125071231835 0.68694580165426 0.74437411328367 18.998 > 1 53 F 0.01569508933591 0.32874928768165 0.74437411328367 18.998 > 2 54 F 0.51569508933591 0.32874928768165 0.74437411328367 18.998 > 2 55 F 0.01569508933591 0.82874928768165 0.74437411328367 18.998 > 2 56 F 0.51569508933591 0.82874928768165 0.74437411328367 18.998 > 2 57 F 0.35361246832092 0.34902842266924 0.92229255338300 18.998 > 3 58 F 0.85361246832092 0.34902842266924 0.92229255338300 18.998 > 3 59 F 0.35361246832092 0.84902842266924 0.92229255338300 18.998 > 3 60 F 0.85361246832092 0.84902842266924 0.92229255338300 18.998 > 3 61 F 0.15097157733076 0.00458404565168 0.92229255338300 18.998 > 4 62 F 0.65097157733076 0.00458404565168 0.92229255338300 18.998 > 4 63 F 0.15097157733076 0.50458404565168 0.92229255338300 18.998 > 4 64 F 0.65097157733076 0.50458404565168 0.92229255338300 18.998 > 4 65 F 0.49541595434832 0.14638753167908 0.92229255338300 18.998 > 5 66 F 0.99541595434832 0.14638753167908 0.92229255338300 18.998 > 5 67 F 0.49541595434832 0.64638753167908 0.92229255338300 18.998 > 5 68 F 0.99541595434832 0.64638753167908 0.92229255338300 18.998 > 5 69 F 0.31305419834574 0.48430491066409 0.74437411328367 18.998 > 6 70 F 0.81305419834574 0.48430491066409 0.74437411328367 18.998 > 6 71 F 0.31305419834574 0.98430491066409 0.74437411328367 18.998 > 6 72 F 0.81305419834574 0.98430491066409 0.74437411328367 18.998 > 6 *73 Ca 0.16666666666667 0.33333333333333 0.16666666666667 40.078 > 7 74 Ca 0.66666666666667 0.33333333333333 0.16666666666667 40.078 > 7 75 Ca 0.16666666666667 0.83333333333333 0.16666666666667 40.078 > 7 76 Ca 0.66666666666667 0.83333333333333 0.16666666666667 40.078 > 7 77 Ca 0.00000000000000 0.00000000000000 0.50000000000000 40.078 > 7 78 Ca 0.50000000000000 0.00000000000000 0.50000000000000 40.078 > 7 79 Ca 0.00000000000000 0.50000000000000 0.50000000000000 40.078 > 7 80 Ca 0.50000000000000 0.50000000000000 0.50000000000000 40.078 > 7 81 Ca 0.33333333333333 0.16666666666667 0.83333333333333 40.078 > 7 82 Ca 0.83333333333333 0.16666666666667 0.83333333333333 40.078 > 7 83 Ca 0.33333333333333 0.66666666666667 0.83333333333333 40.078 > 7 84 Ca 0.83333333333333 0.66666666666667 0.83333333333333 40.078 > 7 *85 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 > 8 86 Pt 0.50000000000000 0.00000000000000 0.00000000000000 195.084 > 8 87 Pt 0.00000000000000 0.50000000000000 0.00000000000000 195.084 > 8 88 Pt 0.50000000000000 0.50000000000000 0.00000000000000 195.084 > 8 89 Pt 0.33333333333333 0.16666666666667 0.33333333333333 195.084 > 8 90 Pt 0.83333333333333 0.16666666666667 0.33333333333333 195.084 > 8 91 Pt 0.33333333333333 0.66666666666667 0.33333333333333 195.084 > 8 92 Pt 0.83333333333333 0.66666666666667 0.33333333333333 195.084 > 8 93 Pt 0.16666666666667 0.33333333333333 0.66666666666667 195.084 > 8 94 Pt 0.66666666666667 0.33333333333333 0.66666666666667 195.084 > 8 95 Pt 0.16666666666667 0.83333333333333 0.66666666666667 195.084 > 8 96 Pt 0.66666666666667 0.83333333333333 0.66666666666667 195.084 > 8 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.4946330 -0.0000001 0.0000000 0.0000001 2.4946330 0.0000000 0.0000000 0.0000000 2.5998297 -------------------------- Born effective charges -------------------------- 1 F -0.9390706 0.3902313 -0.5483112 0.4922711 -0.8811274 0.5468984 -0.5730862 0.4687182 -0.9863951 2 F -1.2777480 -0.2967357 0.7477835 -0.1946958 -0.5424500 0.2014022 0.6924649 0.2619481 -0.9863951 3 F -0.5134784 -0.2465554 -0.1994723 -0.1445156 -1.3067196 -0.7483006 -0.1193787 -0.7306663 -0.9863951 4 F -1.2777480 -0.2967357 0.7477835 -0.1946958 -0.5424500 0.2014022 0.6924649 0.2619481 -0.9863951 5 F -0.9390706 0.3902313 -0.5483112 0.4922711 -0.8811274 0.5468984 -0.5730862 0.4687182 -0.9863951 6 F -0.5134784 -0.2465554 -0.1994723 -0.1445156 -1.3067196 -0.7483006 -0.1193787 -0.7306663 -0.9863951 7 Ca 2.6267675 0.4569714 -0.0000000 -0.4569715 2.6267675 0.0000000 0.0000000 -0.0000000 2.9869829 8 Pt 2.8338266 -0.1508520 -0.0000000 0.1508520 2.8338266 0.0000000 0.0000000 -0.0000000 2.9313878 ---------------------------------------------------------------------------- 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: 288/288 Permutation basis: 4920/4920 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 620 Number of blocks in projector: 292 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: 284 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 80 Use standard eigh solver. Tree of FC basis block matrices: - (620, 606), data: False |-- (80, 77), data: True |-- (256, 252), data: True |-- (284, 277), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.009 Solver_block: 100 / 160 - Time: 0.456 Solver_block: 160 / 160 - Time: 0.321 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.794 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yz) -0.00000000 (yz) Permutation basis: 288/288 Permutation basis: 4920/4920 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 620 Number of blocks in projector: 292 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: 284 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 80 Use standard eigh solver. Tree of FC basis block matrices: - (620, 606), data: False |-- (80, 77), data: True |-- (256, 252), data: True |-- (284, 277), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zy) -0.00000000 (zy) 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 22:48:40]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:48:41]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3 (148) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.644272030503860 1.526671168621999 4.898807823333327 b -2.644272030503855 1.526671168621999 4.898807823333327 c 0.000000000000003 -3.053342337244002 4.898807823333327 Atomic positions (fractional): 1 F 0.08687553792037 0.77576429195549 0.37048250997516 18.998 2 F 0.77576429195548 0.37048250997516 0.08687553792037 18.998 3 F 0.62951749002484 0.91312446207963 0.22423570804452 18.998 4 F 0.22423570804452 0.62951749002484 0.91312446207963 18.998 5 F 0.91312446207963 0.22423570804452 0.62951749002484 18.998 6 F 0.37048250997516 0.08687553792037 0.77576429195548 18.998 7 Ca 0.50000000000000 0.50000000000000 0.50000000000000 40.078 8 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.577088122015429 0.000000000000000 0.000000000000000 b -5.288544061007714 9.160027011732002 0.000000000000000 c 0.000000000000000 0.000000000000000 14.696423469999996 Atomic positions (fractional): 1 F 0.00458404565168 0.35361246832092 0.07770744661700 18.998 > 1 2 F 0.50458404565168 0.35361246832092 0.07770744661700 18.998 > 1 3 F 0.00458404565168 0.85361246832092 0.07770744661700 18.998 > 1 4 F 0.50458404565168 0.85361246832092 0.07770744661700 18.998 > 1 5 F 0.34902842266924 0.49541595434832 0.07770744661700 18.998 > 5 6 F 0.84902842266924 0.49541595434832 0.07770744661700 18.998 > 5 7 F 0.34902842266924 0.99541595434832 0.07770744661700 18.998 > 5 8 F 0.84902842266924 0.99541595434832 0.07770744661700 18.998 > 5 9 F 0.18694580165426 0.01569508933591 0.25562588671633 18.998 > 9 10 F 0.68694580165426 0.01569508933591 0.25562588671633 18.998 > 9 11 F 0.18694580165426 0.51569508933591 0.25562588671633 18.998 > 9 12 F 0.68694580165426 0.51569508933591 0.25562588671633 18.998 > 9 13 F 0.48430491066409 0.17125071231835 0.25562588671633 18.998 > 13 14 F 0.98430491066409 0.17125071231835 0.25562588671633 18.998 > 13 15 F 0.48430491066409 0.67125071231835 0.25562588671633 18.998 > 13 16 F 0.98430491066409 0.67125071231835 0.25562588671633 18.998 > 13 17 F 0.32874928768165 0.31305419834574 0.25562588671633 18.998 > 17 18 F 0.82874928768165 0.31305419834574 0.25562588671633 18.998 > 17 19 F 0.32874928768165 0.81305419834574 0.25562588671633 18.998 > 17 20 F 0.82874928768165 0.81305419834574 0.25562588671633 18.998 > 17 21 F 0.14638753167908 0.15097157733076 0.07770744661700 18.998 > 21 22 F 0.64638753167908 0.15097157733076 0.07770744661700 18.998 > 21 23 F 0.14638753167908 0.65097157733076 0.07770744661700 18.998 > 21 24 F 0.64638753167908 0.65097157733076 0.07770744661700 18.998 > 21 25 F 0.33791737898502 0.02027913498759 0.41104077995034 18.998 > 1 26 F 0.83791737898501 0.02027913498759 0.41104077995034 18.998 > 1 27 F 0.33791737898502 0.52027913498759 0.41104077995034 18.998 > 1 28 F 0.83791737898501 0.52027913498759 0.41104077995034 18.998 > 1 29 F 0.18236175600257 0.16208262101498 0.41104077995034 18.998 > 5 30 F 0.68236175600257 0.16208262101498 0.41104077995034 18.998 > 5 31 F 0.18236175600257 0.66208262101498 0.41104077995034 18.998 > 5 32 F 0.68236175600257 0.66208262101498 0.41104077995034 18.998 > 5 33 F 0.02027913498759 0.18236175600257 0.58895922004967 18.998 > 9 34 F 0.52027913498759 0.18236175600257 0.58895922004967 18.998 > 9 35 F 0.02027913498759 0.68236175600257 0.58895922004967 18.998 > 9 36 F 0.52027913498759 0.68236175600257 0.58895922004967 18.998 > 9 37 F 0.31763824399743 0.33791737898502 0.58895922004967 18.998 > 13 38 F 0.81763824399743 0.33791737898502 0.58895922004967 18.998 > 13 39 F 0.31763824399743 0.83791737898501 0.58895922004967 18.998 > 13 40 F 0.81763824399743 0.83791737898501 0.58895922004967 18.998 > 13 41 F 0.16208262101498 0.47972086501241 0.58895922004967 18.998 > 17 42 F 0.66208262101498 0.47972086501241 0.58895922004967 18.998 > 17 43 F 0.16208262101498 0.97972086501241 0.58895922004967 18.998 > 17 44 F 0.66208262101498 0.97972086501241 0.58895922004967 18.998 > 17 45 F 0.47972086501241 0.31763824399743 0.41104077995034 18.998 > 21 46 F 0.97972086501241 0.31763824399743 0.41104077995034 18.998 > 21 47 F 0.47972086501241 0.81763824399743 0.41104077995034 18.998 > 21 48 F 0.97972086501241 0.81763824399743 0.41104077995034 18.998 > 21 49 F 0.17125071231835 0.18694580165426 0.74437411328367 18.998 > 1 50 F 0.67125071231835 0.18694580165426 0.74437411328367 18.998 > 1 51 F 0.17125071231835 0.68694580165426 0.74437411328367 18.998 > 1 52 F 0.67125071231835 0.68694580165426 0.74437411328367 18.998 > 1 53 F 0.01569508933591 0.32874928768165 0.74437411328367 18.998 > 5 54 F 0.51569508933591 0.32874928768165 0.74437411328367 18.998 > 5 55 F 0.01569508933591 0.82874928768165 0.74437411328367 18.998 > 5 56 F 0.51569508933591 0.82874928768165 0.74437411328367 18.998 > 5 57 F 0.35361246832092 0.34902842266924 0.92229255338300 18.998 > 9 58 F 0.85361246832092 0.34902842266924 0.92229255338300 18.998 > 9 59 F 0.35361246832092 0.84902842266924 0.92229255338300 18.998 > 9 60 F 0.85361246832092 0.84902842266924 0.92229255338300 18.998 > 9 61 F 0.15097157733076 0.00458404565168 0.92229255338300 18.998 > 13 62 F 0.65097157733076 0.00458404565168 0.92229255338300 18.998 > 13 63 F 0.15097157733076 0.50458404565168 0.92229255338300 18.998 > 13 64 F 0.65097157733076 0.50458404565168 0.92229255338300 18.998 > 13 65 F 0.49541595434832 0.14638753167908 0.92229255338300 18.998 > 17 66 F 0.99541595434832 0.14638753167908 0.92229255338300 18.998 > 17 67 F 0.49541595434832 0.64638753167908 0.92229255338300 18.998 > 17 68 F 0.99541595434832 0.64638753167908 0.92229255338300 18.998 > 17 69 F 0.31305419834574 0.48430491066409 0.74437411328367 18.998 > 21 70 F 0.81305419834574 0.48430491066409 0.74437411328367 18.998 > 21 71 F 0.31305419834574 0.98430491066409 0.74437411328367 18.998 > 21 72 F 0.81305419834574 0.98430491066409 0.74437411328367 18.998 > 21 73 Ca 0.16666666666667 0.33333333333333 0.16666666666667 40.078 > 73 74 Ca 0.66666666666667 0.33333333333333 0.16666666666667 40.078 > 73 75 Ca 0.16666666666667 0.83333333333333 0.16666666666667 40.078 > 73 76 Ca 0.66666666666667 0.83333333333333 0.16666666666667 40.078 > 73 77 Ca 0.00000000000000 0.00000000000000 0.50000000000000 40.078 > 73 78 Ca 0.50000000000000 0.00000000000000 0.50000000000000 40.078 > 73 79 Ca 0.00000000000000 0.50000000000000 0.50000000000000 40.078 > 73 80 Ca 0.50000000000000 0.50000000000000 0.50000000000000 40.078 > 73 81 Ca 0.33333333333333 0.16666666666667 0.83333333333333 40.078 > 73 82 Ca 0.83333333333333 0.16666666666667 0.83333333333333 40.078 > 73 83 Ca 0.33333333333333 0.66666666666667 0.83333333333333 40.078 > 73 84 Ca 0.83333333333333 0.66666666666667 0.83333333333333 40.078 > 73 85 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 > 85 86 Pt 0.50000000000000 0.00000000000000 0.00000000000000 195.084 > 85 87 Pt 0.00000000000000 0.50000000000000 0.00000000000000 195.084 > 85 88 Pt 0.50000000000000 0.50000000000000 0.00000000000000 195.084 > 85 89 Pt 0.33333333333333 0.16666666666667 0.33333333333333 195.084 > 85 90 Pt 0.83333333333333 0.16666666666667 0.33333333333333 195.084 > 85 91 Pt 0.33333333333333 0.66666666666667 0.33333333333333 195.084 > 85 92 Pt 0.83333333333333 0.66666666666667 0.33333333333333 195.084 > 85 93 Pt 0.16666666666667 0.33333333333333 0.66666666666667 195.084 > 85 94 Pt 0.66666666666667 0.33333333333333 0.66666666666667 195.084 > 85 95 Pt 0.16666666666667 0.83333333333333 0.66666666666667 195.084 > 85 96 Pt 0.66666666666667 0.83333333333333 0.66666666666667 195.084 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.4946330 -0.0000001 0.0000000 0.0000001 2.4946330 0.0000000 0.0000000 0.0000000 2.5998297 -------------------------- Born effective charges -------------------------- 1 F -0.9390706 0.3902313 -0.5483112 0.4922711 -0.8811274 0.5468984 -0.5730862 0.4687182 -0.9863951 2 F -1.2777480 -0.2967357 0.7477835 -0.1946958 -0.5424500 0.2014022 0.6924649 0.2619481 -0.9863951 3 F -0.5134784 -0.2465554 -0.1994723 -0.1445156 -1.3067196 -0.7483006 -0.1193787 -0.7306663 -0.9863951 4 F -1.2777480 -0.2967357 0.7477835 -0.1946958 -0.5424500 0.2014022 0.6924649 0.2619481 -0.9863951 5 F -0.9390706 0.3902313 -0.5483112 0.4922711 -0.8811274 0.5468984 -0.5730862 0.4687182 -0.9863951 6 F -0.5134784 -0.2465554 -0.1994723 -0.1445156 -1.3067196 -0.7483006 -0.1193787 -0.7306663 -0.9863951 7 Ca 2.6267675 0.4569714 -0.0000000 -0.4569715 2.6267675 0.0000000 0.0000000 -0.0000000 2.9869829 8 Pt 2.8338266 -0.1508520 -0.0000000 0.1508520 2.8338266 0.0000000 0.0000000 -0.0000000 2.9313878 ---------------------------------------------------------------------------- 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[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 85, 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: 0.00000003 (yxy) 0.00000003 (yxy) 0.00000003 (yyx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000022 (yx) -0.00000022 (yx) 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 22:48:48]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:48:48]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3 (148) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.644272030503860 1.526671168621999 4.898807823333327 b -2.644272030503855 1.526671168621999 4.898807823333327 c 0.000000000000003 -3.053342337244002 4.898807823333327 Atomic positions (fractional): 1 F 0.08687553792037 0.77576429195549 0.37048250997516 18.998 2 F 0.77576429195548 0.37048250997516 0.08687553792037 18.998 3 F 0.62951749002484 0.91312446207963 0.22423570804452 18.998 4 F 0.22423570804452 0.62951749002484 0.91312446207963 18.998 5 F 0.91312446207963 0.22423570804452 0.62951749002484 18.998 6 F 0.37048250997516 0.08687553792037 0.77576429195548 18.998 7 Ca 0.50000000000000 0.50000000000000 0.50000000000000 40.078 8 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.577088122015429 0.000000000000000 0.000000000000000 b -5.288544061007714 9.160027011732002 0.000000000000000 c 0.000000000000000 0.000000000000000 14.696423469999996 Atomic positions (fractional): 1 F 0.00458404565168 0.35361246832092 0.07770744661700 18.998 > 1 2 F 0.50458404565168 0.35361246832092 0.07770744661700 18.998 > 1 3 F 0.00458404565168 0.85361246832092 0.07770744661700 18.998 > 1 4 F 0.50458404565168 0.85361246832092 0.07770744661700 18.998 > 1 5 F 0.34902842266924 0.49541595434832 0.07770744661700 18.998 > 5 6 F 0.84902842266924 0.49541595434832 0.07770744661700 18.998 > 5 7 F 0.34902842266924 0.99541595434832 0.07770744661700 18.998 > 5 8 F 0.84902842266924 0.99541595434832 0.07770744661700 18.998 > 5 9 F 0.18694580165426 0.01569508933591 0.25562588671633 18.998 > 9 10 F 0.68694580165426 0.01569508933591 0.25562588671633 18.998 > 9 11 F 0.18694580165426 0.51569508933591 0.25562588671633 18.998 > 9 12 F 0.68694580165426 0.51569508933591 0.25562588671633 18.998 > 9 13 F 0.48430491066409 0.17125071231835 0.25562588671633 18.998 > 13 14 F 0.98430491066409 0.17125071231835 0.25562588671633 18.998 > 13 15 F 0.48430491066409 0.67125071231835 0.25562588671633 18.998 > 13 16 F 0.98430491066409 0.67125071231835 0.25562588671633 18.998 > 13 17 F 0.32874928768165 0.31305419834574 0.25562588671633 18.998 > 17 18 F 0.82874928768165 0.31305419834574 0.25562588671633 18.998 > 17 19 F 0.32874928768165 0.81305419834574 0.25562588671633 18.998 > 17 20 F 0.82874928768165 0.81305419834574 0.25562588671633 18.998 > 17 21 F 0.14638753167908 0.15097157733076 0.07770744661700 18.998 > 21 22 F 0.64638753167908 0.15097157733076 0.07770744661700 18.998 > 21 23 F 0.14638753167908 0.65097157733076 0.07770744661700 18.998 > 21 24 F 0.64638753167908 0.65097157733076 0.07770744661700 18.998 > 21 25 F 0.33791737898502 0.02027913498759 0.41104077995034 18.998 > 1 26 F 0.83791737898501 0.02027913498759 0.41104077995034 18.998 > 1 27 F 0.33791737898502 0.52027913498759 0.41104077995034 18.998 > 1 28 F 0.83791737898501 0.52027913498759 0.41104077995034 18.998 > 1 29 F 0.18236175600257 0.16208262101498 0.41104077995034 18.998 > 5 30 F 0.68236175600257 0.16208262101498 0.41104077995034 18.998 > 5 31 F 0.18236175600257 0.66208262101498 0.41104077995034 18.998 > 5 32 F 0.68236175600257 0.66208262101498 0.41104077995034 18.998 > 5 33 F 0.02027913498759 0.18236175600257 0.58895922004967 18.998 > 9 34 F 0.52027913498759 0.18236175600257 0.58895922004967 18.998 > 9 35 F 0.02027913498759 0.68236175600257 0.58895922004967 18.998 > 9 36 F 0.52027913498759 0.68236175600257 0.58895922004967 18.998 > 9 37 F 0.31763824399743 0.33791737898502 0.58895922004967 18.998 > 13 38 F 0.81763824399743 0.33791737898502 0.58895922004967 18.998 > 13 39 F 0.31763824399743 0.83791737898501 0.58895922004967 18.998 > 13 40 F 0.81763824399743 0.83791737898501 0.58895922004967 18.998 > 13 41 F 0.16208262101498 0.47972086501241 0.58895922004967 18.998 > 17 42 F 0.66208262101498 0.47972086501241 0.58895922004967 18.998 > 17 43 F 0.16208262101498 0.97972086501241 0.58895922004967 18.998 > 17 44 F 0.66208262101498 0.97972086501241 0.58895922004967 18.998 > 17 45 F 0.47972086501241 0.31763824399743 0.41104077995034 18.998 > 21 46 F 0.97972086501241 0.31763824399743 0.41104077995034 18.998 > 21 47 F 0.47972086501241 0.81763824399743 0.41104077995034 18.998 > 21 48 F 0.97972086501241 0.81763824399743 0.41104077995034 18.998 > 21 49 F 0.17125071231835 0.18694580165426 0.74437411328367 18.998 > 1 50 F 0.67125071231835 0.18694580165426 0.74437411328367 18.998 > 1 51 F 0.17125071231835 0.68694580165426 0.74437411328367 18.998 > 1 52 F 0.67125071231835 0.68694580165426 0.74437411328367 18.998 > 1 53 F 0.01569508933591 0.32874928768165 0.74437411328367 18.998 > 5 54 F 0.51569508933591 0.32874928768165 0.74437411328367 18.998 > 5 55 F 0.01569508933591 0.82874928768165 0.74437411328367 18.998 > 5 56 F 0.51569508933591 0.82874928768165 0.74437411328367 18.998 > 5 57 F 0.35361246832092 0.34902842266924 0.92229255338300 18.998 > 9 58 F 0.85361246832092 0.34902842266924 0.92229255338300 18.998 > 9 59 F 0.35361246832092 0.84902842266924 0.92229255338300 18.998 > 9 60 F 0.85361246832092 0.84902842266924 0.92229255338300 18.998 > 9 61 F 0.15097157733076 0.00458404565168 0.92229255338300 18.998 > 13 62 F 0.65097157733076 0.00458404565168 0.92229255338300 18.998 > 13 63 F 0.15097157733076 0.50458404565168 0.92229255338300 18.998 > 13 64 F 0.65097157733076 0.50458404565168 0.92229255338300 18.998 > 13 65 F 0.49541595434832 0.14638753167908 0.92229255338300 18.998 > 17 66 F 0.99541595434832 0.14638753167908 0.92229255338300 18.998 > 17 67 F 0.49541595434832 0.64638753167908 0.92229255338300 18.998 > 17 68 F 0.99541595434832 0.64638753167908 0.92229255338300 18.998 > 17 69 F 0.31305419834574 0.48430491066409 0.74437411328367 18.998 > 21 70 F 0.81305419834574 0.48430491066409 0.74437411328367 18.998 > 21 71 F 0.31305419834574 0.98430491066409 0.74437411328367 18.998 > 21 72 F 0.81305419834574 0.98430491066409 0.74437411328367 18.998 > 21 73 Ca 0.16666666666667 0.33333333333333 0.16666666666667 40.078 > 73 74 Ca 0.66666666666667 0.33333333333333 0.16666666666667 40.078 > 73 75 Ca 0.16666666666667 0.83333333333333 0.16666666666667 40.078 > 73 76 Ca 0.66666666666667 0.83333333333333 0.16666666666667 40.078 > 73 77 Ca 0.00000000000000 0.00000000000000 0.50000000000000 40.078 > 73 78 Ca 0.50000000000000 0.00000000000000 0.50000000000000 40.078 > 73 79 Ca 0.00000000000000 0.50000000000000 0.50000000000000 40.078 > 73 80 Ca 0.50000000000000 0.50000000000000 0.50000000000000 40.078 > 73 81 Ca 0.33333333333333 0.16666666666667 0.83333333333333 40.078 > 73 82 Ca 0.83333333333333 0.16666666666667 0.83333333333333 40.078 > 73 83 Ca 0.33333333333333 0.66666666666667 0.83333333333333 40.078 > 73 84 Ca 0.83333333333333 0.66666666666667 0.83333333333333 40.078 > 73 85 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 > 85 86 Pt 0.50000000000000 0.00000000000000 0.00000000000000 195.084 > 85 87 Pt 0.00000000000000 0.50000000000000 0.00000000000000 195.084 > 85 88 Pt 0.50000000000000 0.50000000000000 0.00000000000000 195.084 > 85 89 Pt 0.33333333333333 0.16666666666667 0.33333333333333 195.084 > 85 90 Pt 0.83333333333333 0.16666666666667 0.33333333333333 195.084 > 85 91 Pt 0.33333333333333 0.66666666666667 0.33333333333333 195.084 > 85 92 Pt 0.83333333333333 0.66666666666667 0.33333333333333 195.084 > 85 93 Pt 0.16666666666667 0.33333333333333 0.66666666666667 195.084 > 85 94 Pt 0.66666666666667 0.33333333333333 0.66666666666667 195.084 > 85 95 Pt 0.16666666666667 0.83333333333333 0.66666666666667 195.084 > 85 96 Pt 0.66666666666667 0.83333333333333 0.66666666666667 195.084 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.4946330 -0.0000001 0.0000000 0.0000001 2.4946330 0.0000000 0.0000000 0.0000000 2.5998297 -------------------------- Born effective charges -------------------------- 1 F -0.9390706 0.3902313 -0.5483112 0.4922711 -0.8811274 0.5468984 -0.5730862 0.4687182 -0.9863951 2 F -1.2777480 -0.2967357 0.7477835 -0.1946958 -0.5424500 0.2014022 0.6924649 0.2619481 -0.9863951 3 F -0.5134784 -0.2465554 -0.1994723 -0.1445156 -1.3067196 -0.7483006 -0.1193787 -0.7306663 -0.9863951 4 F -1.2777480 -0.2967357 0.7477835 -0.1946958 -0.5424500 0.2014022 0.6924649 0.2619481 -0.9863951 5 F -0.9390706 0.3902313 -0.5483112 0.4922711 -0.8811274 0.5468984 -0.5730862 0.4687182 -0.9863951 6 F -0.5134784 -0.2465554 -0.1994723 -0.1445156 -1.3067196 -0.7483006 -0.1193787 -0.7306663 -0.9863951 7 Ca 2.6267675 0.4569714 -0.0000000 -0.4569715 2.6267675 0.0000000 0.0000000 -0.0000000 2.9869829 8 Pt 2.8338266 -0.1508520 -0.0000000 0.1508520 2.8338266 0.0000000 0.0000000 -0.0000000 2.9313878 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000003 (yxy) 0.00000003 (yxy) 0.00000003 (yyx) Max drift of fc2: -0.00000000 (zy) -0.00000000 (zy) --------------------------- 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 ... [ 11 11 11 ] 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: 297, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/226) ======================= 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 2.98e-04 3.39e-05 Number of triplets: 226 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 2.986 ( 0.000 0.000 0.000) 0.000 2.986 ( 0.000 0.000 0.000) 0.000 4.950 ( 0.000 0.000 0.000) 0.000 5.517 ( 0.000 0.000 0.000) 0.000 5.517 ( 0.000 0.000 0.000) 0.000 5.533 ( 0.000 0.000 0.000) 0.000 6.125 ( 0.000 0.000 0.000) 0.000 6.518 ( 0.000 0.000 0.000) 0.000 6.518 ( 0.000 0.000 0.000) 0.000 6.554 ( 0.000 0.000 0.000) 0.000 6.554 ( 0.000 0.000 0.000) 0.000 7.504 ( 0.000 0.000 0.000) 0.000 8.853 ( 0.000 0.000 0.000) 0.000 9.049 ( 0.000 0.000 0.000) 0.000 9.049 ( 0.000 0.000 0.000) 0.000 17.059 ( 0.000 0.000 0.000) 0.000 17.059 ( 0.000 0.000 0.000) 0.000 17.201 ( 0.000 0.000 0.000) 0.000 17.763 ( 0.000 0.000 0.000) 0.000 17.763 ( 0.000 0.000 0.000) 0.000 18.517 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/226) ======================= q-point: ( 0.09 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.301 ( -1.846 27.055 14.340) 30.676 0.513 ( 24.956 -3.043 18.824) 31.407 0.528 ( 22.261 14.237 -1.615) 26.473 2.915 ( -5.720 -1.884 -3.311) 6.872 2.953 ( -1.550 -3.233 -0.842) 3.683 4.708 ( -17.502 -9.780 -5.619) 20.822 5.427 ( -3.884 -6.013 -8.082) 10.796 5.495 ( -1.995 -4.464 0.443) 4.910 5.891 ( -9.553 -1.856 -4.839) 10.868 6.355 ( -1.326 10.176 -0.934) 10.304 6.487 ( 5.865 -0.792 9.517) 11.207 6.525 ( -1.054 2.445 8.834) 9.227 6.772 ( 5.046 11.762 7.316) 14.742 6.864 ( 24.647 -2.218 -8.515) 26.170 7.539 ( 1.153 1.314 2.915) 3.399 8.834 ( -4.988 -3.942 7.662) 9.956 9.026 ( -0.059 -2.907 -2.751) 4.003 9.803 ( -4.067 1.065 -1.236) 4.382 17.068 ( 0.515 1.082 -0.345) 1.247 17.187 ( 1.028 0.289 -2.814) 3.010 17.761 ( -0.397 1.066 -1.267) 1.702 17.778 ( 1.518 0.220 0.105) 1.538 18.527 ( 0.749 0.427 0.271) 0.904 19.053 ( -3.710 -2.859 9.425) 10.525 ======================= Grid point 2 (3/226) ======================= q-point: ( 0.18 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.662 ( 1.494 26.848 16.481) 31.538 1.016 ( 20.292 12.596 -2.578) 24.022 1.028 ( 24.688 -1.783 16.829) 29.932 2.723 ( -9.815 -3.645 -5.538) 11.844 2.862 ( -2.604 -6.077 -1.685) 6.823 4.184 ( -24.010 -12.811 -6.428) 27.963 5.189 ( -9.139 -5.865 -11.386) 15.734 5.376 ( -4.002 -8.320 -1.573) 9.365 5.709 ( -6.849 -1.296 -2.413) 7.376 6.394 ( 1.874 2.707 -1.343) 3.556 6.651 ( 4.498 6.735 5.229) 9.640 6.684 ( 3.998 4.439 13.144) 14.438 7.028 ( 4.004 17.165 3.766) 18.024 7.279 ( 28.591 -5.802 1.199) 29.199 7.615 ( 3.141 4.347 1.221) 5.500 8.717 ( -7.351 -6.452 5.518) 11.230 8.959 ( -0.078 -5.385 -4.543) 7.046 9.704 ( -7.741 2.537 -3.513) 8.871 17.097 ( 1.370 2.226 -0.455) 2.653 17.196 ( 0.906 -0.075 0.129) 0.919 17.754 ( -0.729 1.609 -2.003) 2.670 17.812 ( 1.795 -0.080 0.584) 1.889 18.550 ( 1.071 0.543 0.219) 1.221 19.005 ( -3.521 -3.168 5.018) 6.900 ======================= Grid point 3 (4/226) ======================= q-point: ( 0.27 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.074 ( 3.333 25.338 17.564) 31.010 1.437 ( 17.457 11.426 -5.092) 21.476 1.519 ( 22.507 -1.883 13.977) 26.560 2.463 ( -10.651 -4.500 -5.397) 12.760 2.728 ( -3.064 -8.269 -2.349) 9.126 3.597 ( -24.206 -12.789 -5.304) 27.886 4.880 ( -12.282 -3.848 -11.628) 17.346 5.191 ( -4.705 -9.134 -3.491) 10.851 5.600 ( -3.968 -0.930 0.069) 4.076 6.454 ( 3.151 0.740 -0.086) 3.238 6.811 ( 4.474 3.675 1.660) 6.023 6.909 ( 6.203 8.985 12.125) 16.316 7.288 ( 3.844 16.418 3.666) 17.256 7.636 ( 12.632 -4.745 3.873) 14.039 7.811 ( 17.875 3.591 0.862) 18.253 8.522 ( -9.716 -8.665 3.412) 13.458 8.867 ( 0.128 -6.831 -5.154) 8.558 9.545 ( -11.607 3.801 -4.310) 12.952 17.154 ( 2.325 3.217 -0.293) 3.980 17.219 ( 1.491 -0.019 0.862) 1.722 17.743 ( -0.897 1.507 -1.943) 2.618 17.836 ( 0.721 -0.844 1.177) 1.618 18.570 ( 0.747 0.120 -0.266) 0.802 18.939 ( -3.250 -2.915 3.074) 5.340 ======================= Grid point 4 (5/226) ======================= q-point: ( 0.36 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.465 ( 2.689 20.657 15.582) 26.015 1.779 ( 14.451 8.144 -4.931) 17.305 1.865 ( 10.024 -1.291 1.514) 10.219 2.279 ( -1.081 -2.997 2.210) 3.877 2.570 ( -3.408 -9.264 -1.738) 10.023 3.069 ( -19.462 -10.688 -3.384) 22.460 4.569 ( -11.794 -2.149 -9.810) 15.491 5.016 ( -3.619 -6.799 -2.896) 8.229 5.545 ( -2.015 -0.618 0.625) 2.198 6.506 ( 2.255 0.083 0.202) 2.266 6.906 ( 2.568 1.682 1.272) 3.323 7.209 ( 8.593 11.665 9.168) 17.145 7.518 ( 4.588 10.590 2.623) 11.836 7.753 ( 2.742 2.449 0.682) 3.739 8.195 ( 22.851 -5.739 3.924) 23.885 8.260 ( -11.933 -8.652 1.286) 14.796 8.780 ( 1.334 -5.477 -5.090) 7.595 9.328 ( -15.171 4.318 -4.041) 16.283 17.226 ( 1.756 2.735 0.361) 3.270 17.259 ( 2.664 0.725 0.260) 2.773 17.730 ( -0.825 0.945 -1.196) 1.733 17.831 ( -0.790 -1.513 1.198) 2.086 18.572 ( 0.072 -0.519 -0.744) 0.910 18.884 ( -2.027 -1.691 1.769) 3.177 ======================= Grid point 5 (6/226) ======================= q-point: ( 0.45 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.726 ( 0.869 8.865 7.023) 11.343 1.853 ( -1.348 -1.786 -1.416) 2.648 2.050 ( 9.233 7.426 -5.208) 12.943 2.335 ( 1.527 -4.434 -0.636) 4.732 2.450 ( -0.994 -3.961 5.708) 7.019 2.724 ( -7.823 -4.889 -1.846) 9.408 4.351 ( -5.419 -0.718 -4.287) 6.947 4.912 ( -1.362 -2.507 -1.075) 3.049 5.522 ( -0.617 -0.217 0.289) 0.714 6.533 ( 0.775 -0.018 0.097) 0.782 6.951 ( 0.876 0.501 0.417) 1.092 7.528 ( 7.166 12.515 7.113) 16.081 7.666 ( 3.896 0.542 0.883) 4.032 7.795 ( 1.825 -0.115 -4.307) 4.679 7.968 ( -11.530 -6.337 0.820) 13.182 8.468 ( 9.863 -5.572 3.328) 11.806 8.799 ( 9.245 -0.981 -2.526) 9.634 9.070 ( -15.928 3.211 -2.431) 16.430 17.260 ( 0.448 0.510 0.356) 0.767 17.318 ( 1.795 1.210 -0.129) 2.169 17.720 ( -0.405 0.241 -0.275) 0.545 17.805 ( -0.817 -0.909 0.428) 1.295 18.561 ( -0.112 -0.372 -0.423) 0.574 18.859 ( -0.604 -0.459 0.605) 0.970 ======================= Grid point 12 (7/226) ======================= q-point: ( 0.09 0.09 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.303 ( 16.831 11.195 5.133) 20.856 0.414 ( 0.225 6.853 20.365) 21.488 0.772 ( -6.167 26.730 19.781) 33.820 2.917 ( 0.473 -3.942 -4.629) 6.099 2.950 ( -1.767 -2.763 -1.311) 3.532 4.643 ( 0.529 -19.911 -11.861) 23.182 5.509 ( -12.639 1.493 -6.083) 14.106 5.535 ( -0.405 -0.102 1.092) 1.170 5.832 ( 8.937 -6.167 -6.915) 12.873 6.217 ( 11.862 -7.734 2.597) 14.397 6.462 ( -3.683 2.482 -1.141) 4.585 6.527 ( 0.261 -2.645 8.212) 8.631 6.641 ( -0.895 8.069 -1.352) 8.231 7.153 ( -4.902 26.086 13.515) 29.785 7.549 ( 0.666 -0.287 3.090) 3.174 8.927 ( -1.110 -6.251 11.336) 12.993 9.042 ( -5.481 -0.282 -1.780) 5.770 9.681 ( 5.934 -9.221 -9.217) 14.324 17.085 ( 1.283 1.550 1.427) 2.467 17.176 ( -0.614 3.858 -3.103) 4.989 17.733 ( 1.344 -1.126 -2.762) 3.271 17.780 ( -0.637 1.135 0.633) 1.447 18.527 ( -0.020 0.646 0.315) 0.718 19.122 ( -0.860 -8.407 10.871) 13.769 ======================= Grid point 13 (8/226) ======================= q-point: ( 0.18 0.09 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.744 ( 18.854 1.642 17.115) 25.517 0.795 ( 18.278 12.039 3.631) 22.186 1.085 ( -2.890 27.285 20.014) 33.962 2.782 ( -5.884 -4.269 -8.806) 11.420 2.836 ( -4.441 -6.852 -1.020) 8.229 4.270 ( -10.600 -20.452 -10.559) 25.340 5.226 ( -11.601 -0.754 -10.313) 15.541 5.459 ( -7.941 -3.531 2.438) 9.026 5.753 ( -3.706 -4.182 -4.742) 7.329 6.396 ( 0.451 -0.123 1.269) 1.352 6.542 ( 12.878 5.158 -6.848) 15.471 6.699 ( 13.789 -8.042 20.650) 26.101 6.761 ( 12.257 4.095 -5.226) 13.940 7.383 ( -6.911 25.785 11.974) 29.258 7.611 ( 2.964 3.753 2.760) 5.521 8.754 ( -8.248 -11.984 0.767) 14.568 8.969 ( -3.259 0.387 0.267) 3.293 9.683 ( 5.283 -5.416 -7.029) 10.327 17.122 ( -0.350 2.556 2.176) 3.375 17.193 ( 0.246 2.006 -0.603) 2.109 17.750 ( 3.575 -1.319 -2.829) 4.746 17.780 ( -1.011 1.362 -0.243) 1.714 18.540 ( 0.631 0.389 -0.052) 0.743 19.052 ( -3.356 -6.544 5.735) 9.327 ======================= Grid point 14 (9/226) ======================= q-point: ( 0.27 0.09 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( 18.985 2.514 8.506) 20.955 1.246 ( 18.929 8.403 5.968) 21.553 1.450 ( -0.135 25.799 19.119) 32.111 2.546 ( -8.947 -4.505 -9.510) 13.812 2.665 ( -3.903 -10.090 -2.622) 11.132 3.783 ( -17.567 -17.173 -5.701) 25.219 4.968 ( -10.116 0.485 -13.154) 16.601 5.248 ( -10.660 -5.612 0.170) 12.048 5.636 ( -3.106 -4.988 0.859) 5.938 6.428 ( 1.592 2.588 0.228) 3.047 6.763 ( 10.188 6.332 -2.866) 12.333 6.844 ( 4.418 2.560 2.565) 5.714 7.167 ( 28.616 -10.580 7.788) 31.487 7.562 ( -3.237 15.557 9.273) 18.398 7.758 ( 2.134 12.013 1.728) 12.322 8.497 ( -4.171 -14.473 -5.269) 15.957 8.897 ( -6.028 -0.677 3.158) 6.839 9.639 ( -1.642 -1.750 -5.832) 6.306 17.163 ( 0.564 3.225 1.508) 3.604 17.216 ( 0.491 0.978 1.133) 1.575 17.769 ( -1.250 1.505 -1.128) 2.259 17.782 ( 3.462 -2.333 -1.797) 4.545 18.551 ( 0.808 -0.306 -0.975) 1.303 18.961 ( -2.563 -6.100 2.275) 6.997 ======================= Grid point 15 (10/226) ======================= q-point: ( 0.36 0.09 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( 14.324 3.154 1.054) 14.705 1.655 ( 16.002 3.400 4.026) 16.848 1.787 ( 0.107 18.430 13.339) 22.751 2.320 ( -6.299 -1.564 -4.534) 7.917 2.496 ( -1.843 -8.993 -1.701) 9.336 3.287 ( -19.632 -13.110 -0.285) 23.609 4.714 ( -12.069 2.712 -12.432) 17.538 5.034 ( -6.871 -5.265 -0.254) 8.660 5.555 ( -1.631 -5.210 2.281) 5.917 6.492 ( 1.785 3.234 0.404) 3.716 6.897 ( 1.802 2.046 2.317) 3.578 7.053 ( 14.743 6.182 -6.151) 17.129 7.516 ( 15.561 -8.572 5.125) 18.490 7.760 ( 6.344 7.371 10.963) 14.655 7.872 ( 3.536 2.069 -4.793) 6.306 8.289 ( -3.674 -6.271 -3.089) 7.897 8.803 ( -6.214 -0.164 4.173) 7.487 9.519 ( -7.551 0.092 -5.042) 9.080 17.225 ( 1.875 3.362 0.691) 3.911 17.243 ( 0.835 0.357 1.976) 2.175 17.752 ( -1.284 1.095 -1.221) 2.083 17.794 ( 2.167 -3.679 -1.047) 4.396 18.547 ( 0.686 -1.041 -1.978) 2.338 18.880 ( -0.869 -5.072 -0.177) 5.149 ======================= Grid point 16 (11/226) ======================= q-point: ( 0.45 0.09 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.713 ( 5.195 -5.186 1.441) 7.481 1.834 ( 1.480 0.711 -5.401) 5.645 1.922 ( 6.368 2.457 -7.534) 10.166 2.344 ( 3.071 7.765 5.835) 10.187 2.467 ( 0.091 1.708 9.354) 9.509 2.871 ( -15.943 -9.446 3.478) 18.855 4.476 ( -10.940 3.599 -7.335) 13.654 4.923 ( -2.297 -0.876 0.243) 2.470 5.505 ( 0.112 -5.000 2.003) 5.388 6.548 ( 0.241 3.832 0.305) 3.852 6.942 ( 1.127 0.161 1.084) 1.572 7.324 ( 14.557 3.601 -10.649) 18.392 7.605 ( 5.197 -10.886 -0.565) 12.076 7.760 ( -0.398 -2.627 -5.054) 5.710 8.113 ( 2.821 2.529 10.000) 10.693 8.220 ( 7.995 -2.669 2.332) 8.746 8.769 ( -2.822 4.824 4.047) 6.900 9.320 ( -12.401 0.320 -4.255) 13.115 17.262 ( 0.337 -0.139 1.642) 1.681 17.301 ( 2.127 2.409 0.685) 3.285 17.732 ( -0.889 -0.097 -0.907) 1.274 17.775 ( 1.135 -3.679 -1.029) 3.986 18.537 ( 1.039 -0.898 -2.139) 2.542 18.831 ( 0.927 -3.680 -1.913) 4.250 ======================= Grid point 17 (12/226) ======================= q-point: (-0.45 0.09 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.583 ( -3.848 -14.996 -8.322) 17.577 1.824 ( 3.546 0.544 -0.486) 3.620 2.050 ( 6.909 0.697 -5.600) 8.921 2.463 ( -1.935 5.043 -0.666) 5.442 2.496 ( -8.950 1.229 9.453) 13.076 2.709 ( 2.234 2.416 5.862) 6.723 4.369 ( -2.583 4.601 0.725) 5.326 4.942 ( 0.783 5.151 2.594) 5.821 5.484 ( 1.575 -4.358 1.741) 4.950 6.576 ( -1.667 4.013 -0.082) 4.347 6.952 ( 0.112 -1.051 0.173) 1.071 7.274 ( 1.611 -19.013 -17.295) 25.753 7.672 ( 6.865 1.580 -5.779) 9.112 7.802 ( 8.597 0.887 0.872) 8.686 7.982 ( -13.758 0.626 2.909) 14.076 8.544 ( 16.187 -1.699 10.530) 19.386 8.835 ( 0.501 7.494 1.100) 7.590 9.059 ( -14.189 -0.971 -1.741) 14.328 17.263 ( -0.556 -1.298 1.294) 1.915 17.337 ( -0.620 0.475 0.688) 1.041 17.713 ( 0.311 -0.609 -1.281) 1.452 17.766 ( 1.901 -1.883 -0.677) 2.760 18.544 ( 1.577 -0.104 -1.477) 2.163 18.813 ( 2.223 -2.473 -2.957) 4.450 ======================= Grid point 18 (13/226) ======================= q-point: (-0.36 0.09 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( -6.715 -18.205 -11.888) 22.756 1.943 ( 4.231 3.285 2.517) 5.918 1.968 ( -11.186 -8.634 7.084) 15.807 2.356 ( -9.357 3.835 -8.714) 13.349 2.536 ( 7.153 4.894 -1.924) 8.878 2.920 ( 11.267 6.328 6.750) 14.579 4.493 ( 7.288 5.928 6.671) 11.522 5.074 ( 2.534 9.977 5.578) 11.708 5.496 ( 2.522 -3.002 2.618) 4.714 6.566 ( -3.255 2.955 -0.957) 4.500 6.923 ( -0.817 -3.137 -2.964) 4.393 6.972 ( -0.429 -19.863 -15.509) 25.204 7.634 ( -9.010 -1.188 -1.836) 9.272 7.783 ( -5.895 -2.885 1.221) 6.676 8.050 ( 14.735 3.781 -4.539) 15.875 8.607 ( -18.723 5.929 -2.170) 19.759 8.954 ( -2.595 7.833 5.537) 9.938 8.981 ( 17.855 -8.285 5.736) 20.502 17.230 ( -1.760 -2.478 0.640) 3.106 17.306 ( -2.886 -0.482 1.040) 3.105 17.717 ( 0.864 -0.155 -0.311) 0.932 17.791 ( 2.799 -0.641 -1.263) 3.137 18.564 ( 1.316 0.117 -0.909) 1.603 18.824 ( 3.415 -0.979 -3.249) 4.814 ======================= Grid point 19 (14/226) ======================= q-point: (-0.27 0.09 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.865 ( -9.195 -18.143 -10.384) 22.837 1.657 ( -17.066 -13.569 10.593) 24.240 1.847 ( -19.080 5.633 -12.019) 23.243 2.353 ( 8.892 4.517 1.027) 10.027 2.703 ( 7.397 3.731 -2.150) 8.559 3.312 ( 22.499 6.264 4.817) 23.847 4.773 ( 11.926 6.907 6.317) 15.160 5.276 ( 3.612 11.037 6.802) 13.458 5.548 ( 2.527 -0.247 5.967) 6.485 6.494 ( -2.969 -4.448 -6.080) 8.098 6.679 ( 0.009 -14.605 -14.049) 20.265 6.857 ( -4.167 -1.900 -0.210) 4.585 7.387 ( -14.133 -2.486 -0.473) 14.358 7.702 ( -2.469 -3.324 0.573) 4.180 8.172 ( -14.771 0.574 -5.116) 15.643 8.371 ( 4.657 5.685 -5.758) 9.336 9.021 ( -1.811 6.442 3.364) 7.490 9.263 ( 16.326 -5.607 7.594) 18.858 17.171 ( -2.434 -2.356 0.707) 3.460 17.259 ( -2.772 -0.006 0.801) 2.886 17.731 ( 0.752 -0.563 1.615) 1.868 17.819 ( 1.661 -0.039 -2.068) 2.653 18.572 ( 0.238 -0.324 -0.721) 0.826 18.870 ( 4.345 0.497 -3.213) 5.427 ======================= Grid point 20 (15/226) ======================= q-point: (-0.18 0.09 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.494 ( -11.120 -10.937 -1.425) 15.662 1.255 ( -20.218 -15.824 10.564) 27.762 1.420 ( -25.516 7.198 -16.016) 30.974 2.601 ( 11.463 3.804 2.981) 12.440 2.829 ( 6.028 1.266 -2.455) 6.631 3.838 ( 28.135 4.475 3.615) 28.717 5.082 ( 12.484 6.936 0.957) 14.314 5.471 ( 4.412 5.637 3.975) 8.188 5.651 ( 1.752 2.879 10.226) 10.767 6.312 ( 1.601 -12.612 -11.521) 17.157 6.526 ( -3.306 -3.052 -2.542) 5.167 6.746 ( -6.522 -1.109 -0.780) 6.662 7.126 ( -13.483 -1.279 -0.183) 13.545 7.619 ( -3.418 -5.226 -0.037) 6.245 7.765 ( -24.751 2.805 -4.073) 25.240 8.560 ( 11.214 3.616 -6.189) 13.309 9.052 ( -0.640 1.839 -0.317) 1.973 9.511 ( 11.656 -2.487 7.484) 14.073 17.120 ( -2.138 -0.937 1.101) 2.581 17.223 ( -1.853 0.183 0.427) 1.910 17.750 ( 0.426 -0.688 2.870) 2.982 17.818 ( -0.162 0.068 -2.128) 2.136 18.559 ( -0.709 -0.384 -0.437) 0.917 18.933 ( 4.193 0.759 -3.134) 5.290 ======================= Grid point 21 (16/226) ======================= q-point: (-0.09 0.09 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.346 ( -11.105 13.042 17.732) 24.655 0.787 ( -22.639 -16.447 10.250) 29.801 0.950 ( -27.071 8.806 -13.795) 31.634 2.823 ( 8.830 1.725 1.676) 9.152 2.903 ( 4.889 -1.670 -3.711) 6.361 4.366 ( 27.422 -0.227 1.006) 27.442 5.328 ( 10.169 5.389 -5.350) 12.692 5.520 ( 1.295 -7.061 -4.781) 8.625 5.783 ( 6.777 -0.092 4.821) 8.317 6.285 ( 2.600 4.220 9.557) 10.766 6.447 ( -2.178 -2.972 1.867) 4.131 6.607 ( -8.443 1.109 -1.536) 8.653 6.902 ( -12.795 1.611 0.731) 12.917 7.275 ( -22.517 -3.182 -7.556) 23.963 7.574 ( -4.749 1.264 1.109) 5.038 8.722 ( 7.964 1.210 -3.015) 8.602 9.034 ( 0.625 -1.969 -3.794) 4.320 9.706 ( 6.991 0.635 6.229) 9.385 17.091 ( -1.676 0.144 0.982) 1.948 17.204 ( -0.615 -0.180 -0.198) 0.671 17.766 ( -0.039 -0.189 2.473) 2.480 17.794 ( -1.215 0.284 -1.542) 1.984 18.540 ( -1.056 0.009 -0.021) 1.056 18.985 ( 3.092 -0.029 -1.170) 3.307 ======================= Grid point 23 (17/226) ======================= q-point: ( 0.09 0.18 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.348 ( -9.759 -1.695 17.171) 19.823 0.744 ( -15.917 7.705 6.109) 18.709 1.269 ( -6.847 25.602 19.542) 32.927 2.767 ( 6.905 -5.825 -5.194) 10.421 2.917 ( 1.576 -2.106 -1.985) 3.295 4.235 ( 11.521 -22.213 -12.264) 27.866 5.389 ( 18.220 6.457 -13.978) 23.855 5.532 ( 8.896 -2.389 7.103) 11.632 5.634 ( -2.610 -9.383 -3.877) 10.483 6.225 ( -13.274 -3.534 -1.481) 13.816 6.528 ( -6.554 -6.227 10.005) 13.484 6.645 ( -5.158 4.257 2.586) 7.170 6.779 ( -8.211 7.021 -4.976) 11.895 7.561 ( -2.561 26.715 15.284) 30.884 7.572 ( -1.592 0.428 2.535) 3.024 8.878 ( 7.190 -5.071 9.894) 13.240 9.074 ( 3.844 2.912 1.237) 4.978 9.465 ( -4.708 -15.019 -17.249) 23.352 17.084 ( 0.775 2.086 0.039) 2.226 17.208 ( -0.264 1.678 0.712) 1.842 17.698 ( -1.109 -1.712 -3.610) 4.146 17.813 ( -1.151 1.457 0.689) 1.980 18.542 ( -0.740 0.489 0.157) 0.901 19.079 ( 2.910 -5.714 6.014) 8.792 ======================= Grid point 24 (18/226) ======================= q-point: ( 0.18 0.18 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.562 ( 15.051 9.641 3.392) 18.193 0.758 ( 2.497 3.930 17.514) 18.123 1.547 ( -4.800 26.369 19.453) 33.117 2.723 ( -0.244 -7.628 -7.339) 10.588 2.847 ( -3.816 -4.767 -2.996) 6.801 4.048 ( 2.332 -21.775 -11.433) 24.704 5.387 ( -10.584 -3.905 -8.724) 14.261 5.533 ( -0.867 0.904 -3.071) 3.316 5.728 ( 1.360 1.308 -5.495) 5.810 6.100 ( 14.791 -9.854 7.832) 19.422 6.490 ( -0.140 1.276 0.625) 1.428 6.591 ( -2.709 1.289 3.282) 4.447 6.797 ( -0.067 6.262 2.126) 6.613 7.585 ( 0.852 2.200 0.498) 2.411 7.848 ( -4.502 23.704 15.070) 28.447 8.791 ( -12.367 -19.762 -1.506) 23.361 9.017 ( -0.935 1.563 -0.557) 1.905 9.408 ( 12.963 -2.986 -7.606) 15.323 17.145 ( 2.039 2.402 1.314) 3.414 17.223 ( -0.662 2.154 0.486) 2.306 17.658 ( 1.623 -1.753 -4.433) 5.035 17.810 ( -1.075 0.928 0.386) 1.472 18.536 ( -0.132 -0.149 -0.266) 0.332 19.046 ( -1.280 -8.863 3.709) 9.693 ======================= Grid point 25 (19/226) ======================= q-point: ( 0.27 0.18 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.948 ( 17.147 5.689 4.179) 18.543 1.065 ( 14.981 4.757 12.133) 19.856 1.851 ( -3.238 23.470 17.456) 29.428 2.545 ( -4.748 -6.937 -7.670) 11.380 2.667 ( -7.273 -6.694 -3.993) 10.661 3.773 ( -5.546 -17.003 -5.621) 18.747 5.106 ( -12.384 -0.809 -7.430) 14.464 5.395 ( -11.060 -0.026 -7.031) 13.106 5.631 ( -2.791 -5.684 0.807) 6.383 6.413 ( 11.413 -3.709 5.625) 13.253 6.540 ( 11.428 7.576 -13.117) 18.975 6.716 ( 14.071 -6.625 12.281) 19.817 6.870 ( 0.474 3.479 3.930) 5.270 7.643 ( 2.360 2.747 0.622) 3.675 8.042 ( -8.074 17.393 7.174) 20.474 8.388 ( -5.046 -15.415 -6.808) 17.590 9.008 ( -3.533 0.312 3.809) 5.205 9.526 ( 6.949 -2.115 -4.744) 8.676 17.201 ( 0.703 1.955 2.592) 3.322 17.234 ( -0.715 2.295 0.061) 2.404 17.662 ( 4.277 -2.867 -4.357) 6.745 17.798 ( -1.206 0.710 -0.386) 1.452 18.529 ( 0.274 -0.885 -1.160) 1.485 18.932 ( -2.091 -9.756 0.758) 10.006 ======================= Grid point 26 (20/226) ======================= q-point: ( 0.36 0.18 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.296 ( 15.714 2.025 2.484) 16.038 1.446 ( 16.081 4.285 5.488) 17.523 2.000 ( -5.141 1.947 1.851) 5.800 2.422 ( -6.838 3.199 -2.438) 7.933 2.485 ( -2.010 0.861 4.670) 5.157 3.453 ( -13.410 -11.960 1.797) 18.059 4.873 ( -10.466 4.263 -10.027) 15.108 5.142 ( -11.087 -2.324 -4.391) 12.149 5.538 ( -2.100 -7.667 3.921) 8.864 6.503 ( 1.883 3.440 1.636) 4.249 6.802 ( 15.935 8.010 -16.171) 24.074 6.911 ( 1.288 2.602 0.706) 2.988 7.059 ( 22.899 -15.225 17.001) 32.330 7.723 ( 4.133 0.189 1.097) 4.281 7.868 ( -6.296 -10.479 -11.438) 16.741 8.370 ( -2.381 11.687 4.694) 12.818 8.956 ( -5.973 0.713 6.441) 8.813 9.539 ( 0.059 -1.477 -4.576) 4.809 17.245 ( 0.752 0.335 1.377) 1.605 17.251 ( -0.064 3.421 1.639) 3.794 17.676 ( 4.205 -4.819 -3.534) 7.307 17.780 ( -1.267 0.789 -0.797) 1.692 18.511 ( 0.335 -1.492 -2.261) 2.729 18.812 ( -0.156 -9.077 -1.943) 9.284 ======================= Grid point 27 (21/226) ======================= q-point: ( 0.45 0.18 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( 10.549 -3.356 1.473) 11.167 1.709 ( 9.736 3.108 -6.128) 11.916 1.823 ( -4.486 -9.330 -7.866) 13.002 2.359 ( 1.736 0.142 4.496) 4.821 2.640 ( -0.623 12.917 9.101) 15.814 3.112 ( -18.077 -7.368 7.904) 21.060 4.683 ( -12.055 7.503 -9.090) 16.860 4.978 ( -3.981 0.481 0.787) 4.087 5.460 ( -0.680 -7.625 3.804) 8.548 6.586 ( 1.526 4.952 1.102) 5.298 6.917 ( 2.244 0.129 -6.121) 6.520 7.053 ( 11.581 4.105 -11.348) 16.726 7.302 ( 12.533 -18.186 5.085) 22.664 7.645 ( 5.559 -9.124 -4.997) 11.795 7.877 ( 11.194 -0.942 2.766) 11.569 8.404 ( -8.869 7.981 1.066) 11.979 8.941 ( -4.223 5.832 9.189) 11.674 9.444 ( -6.156 -1.377 -4.503) 7.751 17.261 ( 0.538 -0.667 1.537) 1.760 17.310 ( 1.090 3.586 1.681) 4.107 17.659 ( 2.905 -6.341 -3.227) 7.685 17.763 ( -1.090 0.701 -0.475) 1.381 18.490 ( 1.057 -1.384 -2.764) 3.267 18.732 ( 2.275 -7.084 -3.755) 8.334 ======================= Grid point 28 (22/226) ======================= q-point: ( 0.55 0.18 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( -5.296 -12.718 -4.531) 14.502 1.736 ( 5.366 -2.101 -1.777) 6.031 1.847 ( 10.663 3.031 -10.157) 15.035 2.485 ( 3.882 1.620 5.903) 7.249 2.731 ( -3.479 -4.570 2.882) 6.426 2.831 ( -14.443 6.877 9.799) 18.759 4.524 ( -8.812 6.552 -2.330) 11.226 5.021 ( 0.550 8.795 4.162) 9.746 5.421 ( 1.394 -5.932 4.550) 7.605 6.653 ( -0.919 5.688 0.299) 5.770 6.862 ( 2.556 -10.954 -14.971) 18.726 7.018 ( -0.776 -9.613 -3.484) 10.255 7.431 ( 14.839 1.881 -7.993) 16.959 7.709 ( 5.441 -2.985 2.345) 6.634 8.157 ( 20.235 -7.218 5.000) 22.058 8.251 ( -12.240 1.983 0.437) 12.407 9.025 ( -2.939 10.177 8.555) 13.616 9.249 ( -11.299 -1.916 -4.081) 12.165 17.265 ( -0.116 -1.882 2.162) 2.869 17.363 ( -0.222 2.634 1.193) 2.900 17.630 ( 3.546 -4.825 -3.729) 7.055 17.752 ( -0.650 0.230 0.461) 0.830 18.494 ( 2.273 -0.501 -2.438) 3.370 18.700 ( 3.821 -4.946 -4.280) 7.575 ======================= Grid point 29 (23/226) ======================= q-point: (-0.36 0.18 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( -9.311 -10.957 -4.850) 15.175 1.862 ( 8.755 2.006 1.503) 9.107 1.979 ( 6.068 -2.635 -2.563) 7.095 2.479 ( -6.600 -2.637 3.403) 7.880 2.567 ( -7.513 2.542 -2.007) 8.181 2.860 ( 3.285 2.358 1.602) 4.349 4.523 ( 0.584 7.021 3.933) 8.068 5.166 ( 2.127 8.133 3.171) 8.985 5.472 ( 2.376 1.889 10.332) 10.769 6.561 ( -0.769 -17.145 -17.545) 24.543 6.707 ( -1.483 1.652 -3.333) 4.005 6.949 ( -1.379 -2.774 1.789) 3.577 7.616 ( 7.237 1.403 -7.580) 10.573 7.808 ( 8.458 1.124 -1.982) 8.759 7.995 ( -13.915 -1.331 1.591) 14.069 8.512 ( 23.157 -9.377 4.284) 25.348 8.954 ( -16.834 0.707 -4.724) 17.498 9.143 ( -1.885 7.726 8.660) 11.758 17.244 ( -1.431 -2.344 2.074) 3.441 17.356 ( -2.501 0.097 0.880) 2.653 17.655 ( 4.665 -0.443 -3.983) 6.150 17.754 ( 0.409 -0.456 1.621) 1.733 18.521 ( 2.509 -0.004 -1.872) 3.131 18.712 ( 4.824 -2.749 -3.486) 6.556 ======================= Grid point 30 (24/226) ======================= q-point: (-0.27 0.18 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( -12.206 -4.515 1.212) 13.070 1.865 ( -12.404 -11.194 10.008) 19.476 2.036 ( 1.761 4.277 -1.483) 4.858 2.336 ( -6.770 5.074 -8.123) 11.729 2.558 ( 6.888 0.709 -3.353) 7.693 3.028 ( 15.656 -0.777 1.064) 15.711 4.706 ( 7.801 7.378 4.852) 11.783 5.274 ( 4.984 0.617 0.054) 5.022 5.649 ( 0.419 8.739 14.183) 16.664 6.264 ( 0.764 -16.310 -16.089) 22.923 6.673 ( -4.534 3.040 -0.970) 5.544 6.907 ( -2.669 -1.186 1.483) 3.275 7.592 ( -7.564 1.626 -4.869) 9.142 7.739 ( -7.996 -3.639 2.737) 9.201 8.044 ( 13.110 2.651 -5.883) 14.612 8.602 ( -17.208 -2.372 -5.625) 18.259 8.801 ( 16.235 -8.092 0.853) 18.160 9.260 ( 0.399 7.573 9.909) 12.477 17.201 ( -2.374 -1.362 1.652) 3.197 17.310 ( -2.779 -0.631 0.523) 2.897 17.708 ( 2.869 1.018 -1.897) 3.587 17.777 ( 1.606 -0.427 0.938) 1.908 18.548 ( 1.545 0.044 -1.111) 1.903 18.765 ( 5.379 -0.948 -2.307) 5.929 ======================= Grid point 31 (25/226) ======================= q-point: (-0.18 0.18 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.759 ( -12.384 8.758 12.610) 19.725 1.529 ( -19.636 -13.882 13.938) 27.794 1.816 ( -21.661 7.526 -13.460) 26.590 2.450 ( 11.196 3.203 1.004) 11.688 2.661 ( 8.511 -2.167 -6.791) 11.102 3.394 ( 26.018 -1.689 1.280) 26.104 4.952 ( 10.171 6.160 0.162) 11.892 5.366 ( 6.471 -3.506 -0.293) 7.366 5.683 ( 0.400 -9.307 -5.765) 10.955 6.210 ( 1.376 8.527 8.920) 12.416 6.600 ( -5.552 0.472 1.096) 5.679 6.849 ( -5.028 0.974 1.084) 5.235 7.382 ( -14.617 3.674 -1.750) 15.173 7.632 ( -3.486 -5.356 2.221) 6.766 8.104 ( -13.058 0.311 -7.435) 15.029 8.377 ( 5.482 1.888 -4.993) 7.651 8.922 ( 8.416 -7.896 -3.770) 12.141 9.442 ( 5.778 4.738 10.457) 12.852 17.163 ( -2.435 0.330 1.306) 2.783 17.260 ( -2.394 -0.796 0.020) 2.523 17.749 ( 1.360 0.346 1.393) 1.977 17.801 ( 1.027 0.386 -1.111) 1.561 18.561 ( 0.228 0.268 -0.281) 0.450 18.840 ( 5.095 -0.306 -1.126) 5.227 ======================= Grid point 32 (26/226) ======================= q-point: (-0.09 0.18 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.824 ( -9.642 20.181 19.861) 29.911 1.108 ( -23.119 -13.874 14.796) 30.755 1.409 ( -24.802 8.882 -12.075) 28.980 2.659 ( 10.378 -2.969 -0.741) 10.819 2.735 ( 8.173 -0.525 -6.477) 10.442 3.844 ( 28.593 -5.820 -0.681) 29.187 5.157 ( 9.878 3.018 -7.266) 12.629 5.325 ( 3.318 -13.313 -7.906) 15.835 5.645 ( 6.811 -2.984 -1.681) 7.624 6.405 ( -0.465 7.250 4.920) 8.774 6.568 ( -3.709 5.659 17.239) 18.519 6.763 ( -7.578 2.269 0.830) 7.953 7.188 ( -13.570 5.761 4.848) 15.519 7.476 ( -10.703 -3.658 -5.286) 12.485 7.771 ( -15.664 2.234 -4.180) 16.365 8.548 ( 11.208 0.390 -2.046) 11.400 8.929 ( 3.977 -4.138 -5.117) 7.689 9.640 ( 6.728 0.598 6.404) 9.308 17.137 ( -2.464 1.036 0.832) 2.800 17.214 ( -1.560 -0.826 -0.540) 1.846 17.775 ( 0.263 -0.488 1.385) 1.491 17.806 ( -0.174 1.107 -1.078) 1.555 18.559 ( -0.719 0.491 0.108) 0.878 18.918 ( 4.390 -0.384 1.230) 4.575 ======================= Grid point 34 (27/226) ======================= q-point: ( 0.09 0.27 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.706 ( -20.987 -5.632 17.723) 28.041 1.127 ( -18.659 6.284 -2.175) 19.809 1.736 ( -5.384 22.662 16.839) 28.742 2.534 ( 8.978 -5.379 -4.047) 11.221 2.834 ( 4.590 -1.292 -1.961) 5.156 3.711 ( 15.978 -20.079 -9.837) 27.481 5.014 ( 18.259 -0.601 -9.935) 20.796 5.364 ( 10.888 0.220 -1.912) 11.057 5.555 ( -0.413 -8.147 -0.617) 8.181 6.420 ( -8.030 3.429 -0.537) 8.748 6.695 ( -10.899 -5.185 10.097) 15.736 6.792 ( -6.837 -0.146 6.339) 9.325 6.994 ( -14.004 6.071 -8.499) 17.470 7.628 ( -3.353 0.569 0.253) 3.411 7.974 ( -4.249 24.612 15.076) 29.173 8.706 ( 11.365 -8.047 8.017) 16.069 9.002 ( 7.814 6.371 -5.654) 11.559 9.311 ( -6.172 -17.483 -12.487) 22.354 17.109 ( -1.610 1.633 -0.195) 2.302 17.230 ( -0.224 0.963 1.401) 1.715 17.687 ( -1.825 -1.479 -3.205) 3.973 17.848 ( -0.753 0.684 1.070) 1.477 18.561 ( -0.980 0.205 -0.366) 1.066 18.994 ( 3.494 -5.119 2.363) 6.633 ======================= Grid point 35 (28/226) ======================= q-point: ( 0.18 0.27 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.561 ( -3.093 4.143 11.515) 12.622 0.943 ( -9.119 3.522 7.804) 12.509 1.980 ( -3.592 21.434 15.201) 26.522 2.574 ( 3.970 -5.736 -4.063) 8.073 2.826 ( -0.868 -3.931 -2.770) 4.887 3.671 ( 9.772 -18.404 -8.756) 22.603 5.262 ( 12.994 1.868 -19.237) 23.290 5.458 ( 3.922 -3.649 -2.399) 5.870 5.562 ( 11.022 -6.351 9.542) 15.902 6.175 ( -18.757 -1.626 0.747) 18.842 6.550 ( -5.782 -2.795 7.730) 10.050 6.727 ( -7.045 3.652 -1.255) 8.034 6.883 ( -2.636 5.976 -0.916) 6.595 7.603 ( -0.758 1.451 0.487) 1.708 8.225 ( -3.078 19.878 13.560) 24.258 8.687 ( -4.685 -26.158 -5.128) 27.065 9.017 ( 0.240 -0.536 -6.163) 6.191 9.185 ( 9.140 4.399 -1.183) 10.212 17.136 ( 1.902 2.905 -0.365) 3.492 17.245 ( 0.141 0.288 1.515) 1.548 17.620 ( -1.689 -1.152 -3.912) 4.414 17.840 ( -1.273 0.263 0.477) 1.384 18.537 ( -0.886 -0.799 -0.733) 1.400 18.969 ( 0.850 -9.612 0.662) 9.672 ======================= Grid point 36 (29/226) ======================= q-point: ( 0.27 0.27 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.773 ( 11.996 8.190 2.123) 14.680 1.004 ( 5.047 1.367 14.130) 15.066 2.166 ( -3.151 7.557 5.491) 9.858 2.539 ( -1.639 2.763 2.444) 4.037 2.697 ( -5.820 -5.049 -4.727) 9.039 3.606 ( 4.136 -11.334 -2.201) 12.265 5.187 ( -3.891 -4.628 -8.125) 10.128 5.497 ( -1.620 3.869 -9.991) 10.835 5.679 ( -5.852 -0.209 -5.289) 7.890 6.011 ( 14.286 -11.926 12.256) 22.282 6.531 ( -0.092 2.647 -0.513) 2.698 6.656 ( -2.262 1.290 3.174) 4.105 6.924 ( -0.107 3.825 2.005) 4.320 7.630 ( 1.446 1.826 0.003) 2.329 8.189 ( -9.733 -25.481 -14.975) 31.117 8.432 ( -3.043 17.160 10.295) 20.242 9.057 ( 0.947 1.241 2.067) 2.590 9.364 ( 8.190 1.467 -0.781) 8.356 17.202 ( 2.144 2.421 -0.341) 3.252 17.263 ( 0.576 0.647 1.222) 1.498 17.566 ( 0.159 -1.558 -4.236) 4.516 17.819 ( -1.173 -0.131 -0.189) 1.195 18.509 ( -0.265 -1.586 -1.147) 1.976 18.848 ( -1.299 -12.428 -1.463) 12.581 ======================= Grid point 37 (30/226) ======================= q-point: ( 0.36 0.27 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.076 ( 13.983 4.245 0.373) 14.618 1.267 ( 13.018 1.718 9.478) 16.194 2.039 ( -6.465 -9.622 -5.403) 12.790 2.493 ( -6.932 -4.843 -4.468) 9.564 2.664 ( -0.825 12.696 7.661) 14.851 3.552 ( -4.733 -2.971 7.584) 9.420 5.019 ( -7.447 0.493 -4.383) 8.655 5.300 ( -13.295 4.617 -15.007) 20.574 5.540 ( -3.699 -7.142 4.906) 9.421 6.335 ( 23.757 -9.438 3.074) 25.747 6.557 ( 1.547 6.596 -7.100) 9.814 6.756 ( 9.148 -2.469 8.022) 12.415 6.964 ( -0.169 1.673 2.889) 3.343 7.636 ( -1.268 -10.902 -6.413) 12.711 7.765 ( -2.346 -9.043 -9.191) 13.105 8.583 ( -2.939 13.015 4.870) 14.204 9.078 ( -2.317 1.445 5.490) 6.132 9.468 ( 3.849 0.054 -2.002) 4.339 17.238 ( 0.865 0.402 -0.241) 0.984 17.298 ( 0.471 2.708 1.680) 3.221 17.542 ( 2.465 -3.293 -4.089) 5.800 17.798 ( -0.844 -0.056 -0.526) 0.996 18.481 ( -0.141 -1.775 -1.845) 2.564 18.688 ( -0.206 -12.622 -3.400) 13.073 ======================= Grid point 38 (31/226) ======================= q-point: ( 0.45 0.27 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( 12.140 -1.201 0.116) 12.200 1.524 ( 10.703 0.744 -1.917) 10.898 1.785 ( -6.642 -9.394 -5.402) 12.710 2.369 ( -1.121 -0.901 1.509) 2.085 2.768 ( -0.638 3.566 1.393) 3.881 3.450 ( -15.433 2.511 13.874) 20.904 4.910 ( -9.584 10.156 -7.325) 15.769 5.074 ( -6.171 2.555 -3.818) 7.693 5.442 ( -2.869 -7.822 6.524) 10.582 6.576 ( 9.322 -3.362 2.167) 10.144 6.650 ( 10.404 1.059 -16.584) 19.606 6.952 ( 9.560 -0.649 0.639) 9.603 7.003 ( 3.884 -5.674 7.881) 10.459 7.379 ( 4.027 -15.164 -8.050) 17.635 7.776 ( 3.578 0.719 -0.865) 3.750 8.617 ( -6.815 7.051 -0.689) 9.830 9.104 ( -2.111 3.793 8.715) 9.736 9.470 ( -1.558 -0.477 -3.112) 3.513 17.249 ( 0.739 -0.866 0.544) 1.262 17.352 ( 0.562 4.158 1.960) 4.631 17.520 ( 2.629 -5.435 -3.838) 7.154 17.784 ( -0.748 0.322 -0.214) 0.842 18.446 ( 0.152 -2.068 -2.690) 3.396 18.576 ( 3.003 -9.485 -4.206) 10.801 ======================= Grid point 39 (32/226) ======================= q-point: ( 0.55 0.27 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.432 ( 0.913 -7.194 1.176) 7.347 1.577 ( 4.843 -3.399 -6.665) 8.913 1.673 ( 5.384 1.187 -7.133) 9.015 2.456 ( 5.315 1.873 6.345) 8.486 2.737 ( -1.967 -4.260 -1.113) 4.822 3.242 ( -19.659 2.976 9.498) 22.036 4.746 ( -11.377 6.758 -5.411) 14.297 5.131 ( 0.439 8.643 3.152) 9.211 5.406 ( 0.409 -1.197 10.191) 10.270 6.550 ( 2.540 -16.872 -19.132) 25.635 6.705 ( 2.715 5.065 1.320) 5.897 6.986 ( -1.195 -3.346 2.040) 4.097 7.147 ( 14.257 3.614 -10.144) 17.867 7.487 ( 16.961 -9.789 7.531) 20.981 7.859 ( 8.012 -2.244 0.041) 8.320 8.489 ( -11.900 2.623 -1.906) 12.333 9.180 ( -0.385 4.043 7.772) 8.769 9.370 ( -7.170 0.097 -3.541) 7.997 17.255 ( 0.588 -1.908 1.948) 2.790 17.418 ( -0.678 5.112 1.734) 5.441 17.483 ( 3.873 -5.922 -4.144) 8.200 17.773 ( -0.923 0.319 0.368) 1.044 18.429 ( 2.391 -1.601 -2.817) 4.026 18.546 ( 4.518 -5.323 -3.513) 7.816 ======================= Grid point 40 (33/226) ======================= q-point: (-0.36 0.27 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.280 ( -8.523 -3.071 0.806) 9.095 1.699 ( 11.688 -3.126 2.827) 12.425 1.784 ( 9.723 3.468 -9.104) 13.764 2.567 ( -0.293 0.158 3.942) 3.956 2.632 ( -2.216 -6.472 1.498) 7.003 2.983 ( -15.526 2.103 -0.914) 15.694 4.652 ( -5.158 6.622 1.771) 8.579 5.172 ( 0.836 -1.550 -0.603) 1.862 5.593 ( 2.645 11.023 14.483) 18.392 6.268 ( -0.796 -15.231 -16.422) 22.412 6.791 ( -0.880 6.659 0.534) 6.738 6.946 ( -0.611 -3.333 1.818) 3.846 7.376 ( 14.663 4.817 -12.387) 19.790 7.686 ( 8.359 -3.937 5.127) 10.567 8.042 ( 17.898 -9.416 3.541) 20.531 8.268 ( -13.633 1.298 -1.245) 13.751 9.153 ( -9.596 -2.776 -2.961) 10.419 9.286 ( -2.157 6.092 4.992) 8.166 17.252 ( -0.271 -2.191 2.835) 3.594 17.396 ( -1.861 -1.603 -1.239) 2.751 17.544 ( 5.146 2.497 -2.131) 6.104 17.764 ( -0.576 -0.152 0.922) 1.098 18.460 ( 3.413 -0.047 -1.572) 3.758 18.575 ( 5.349 -2.564 -2.083) 6.287 ======================= Grid point 41 (34/226) ======================= q-point: (-0.27 0.27 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( -9.646 4.535 7.032) 12.770 1.897 ( 6.197 -4.639 2.191) 8.045 1.925 ( 10.018 2.820 0.159) 10.408 2.464 ( -7.392 -2.829 3.212) 8.542 2.583 ( -6.261 2.999 -4.246) 8.138 2.800 ( 2.296 -4.228 -6.264) 7.898 4.720 ( 2.065 6.507 4.876) 8.389 5.178 ( 3.711 -3.103 -0.733) 4.893 5.669 ( 0.713 -12.244 -8.501) 14.923 6.192 ( -0.214 12.109 9.323) 15.284 6.789 ( -5.098 3.317 -0.108) 6.083 6.938 ( -0.122 0.451 2.134) 2.185 7.553 ( 7.747 2.632 -8.436) 11.752 7.809 ( 7.640 1.775 -2.563) 8.252 7.991 ( -13.458 -2.182 3.752) 14.140 8.325 ( 18.583 -11.427 0.870) 21.833 8.902 ( -13.833 0.041 -3.650) 14.307 9.356 ( 0.676 3.490 5.096) 6.214 17.238 ( -1.385 -1.048 2.707) 3.217 17.340 ( -1.852 -1.353 -1.392) 2.683 17.644 ( 4.314 3.398 -2.276) 5.944 17.766 ( 0.428 -0.713 1.352) 1.587 18.514 ( 2.463 1.145 -0.161) 2.721 18.648 ( 5.883 -0.952 -0.366) 5.970 ======================= Grid point 42 (35/226) ======================= q-point: (-0.18 0.27 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( -8.409 13.349 14.358) 21.332 1.792 ( -13.184 -9.331 11.991) 20.116 2.069 ( -3.175 3.115 -4.910) 6.625 2.355 ( -1.534 4.951 -5.692) 7.699 2.478 ( 2.062 -2.477 -6.155) 6.948 2.951 ( 20.688 -5.436 -1.236) 21.426 4.865 ( 5.815 3.532 0.779) 6.848 5.203 ( 4.112 -8.820 -4.406) 10.682 5.464 ( 3.143 -10.690 -10.270) 15.154 6.437 ( -1.128 15.201 13.798) 20.560 6.725 ( -4.978 2.122 5.135) 7.459 6.955 ( -3.245 5.171 2.621) 6.644 7.587 ( -1.956 4.444 -5.823) 7.582 7.727 ( -13.134 -3.031 7.138) 15.253 8.018 ( 11.385 2.899 -7.145) 13.751 8.379 ( -0.931 -10.334 -4.120) 11.164 8.741 ( -0.330 0.283 -0.962) 1.056 9.447 ( 3.739 0.863 4.987) 6.293 17.221 ( -2.069 0.804 1.876) 2.906 17.288 ( -2.197 -0.815 -1.054) 2.569 17.725 ( 2.790 2.003 -0.483) 3.468 17.780 ( 1.200 -0.353 0.196) 1.266 18.555 ( 1.010 1.117 -0.056) 1.507 18.747 ( 5.485 0.100 1.564) 5.705 ======================= Grid point 43 (36/226) ======================= q-point: (-0.09 0.27 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( -6.919 17.228 17.727) 25.670 1.478 ( -21.105 -8.663 16.520) 28.167 1.813 ( -20.501 7.800 -12.020) 25.012 2.419 ( 8.098 -6.848 -4.142) 11.386 2.557 ( 9.966 3.035 -4.922) 11.522 3.295 ( 25.672 -7.976 -1.057) 26.904 4.952 ( 5.828 -7.241 -10.971) 14.379 5.084 ( 5.540 -7.844 -6.282) 11.476 5.517 ( 6.385 0.727 1.405) 6.578 6.494 ( -3.746 1.577 -0.454) 4.089 6.797 ( -1.867 5.998 12.337) 13.844 6.958 ( -8.149 8.303 8.058) 14.152 7.519 ( -13.404 1.887 11.807) 17.962 7.565 ( -3.979 3.294 -3.514) 6.247 8.011 ( -11.874 3.327 -10.807) 16.397 8.332 ( 10.806 -2.521 -0.544) 11.110 8.788 ( 5.270 -0.904 -2.911) 6.088 9.545 ( 5.809 -4.164 2.560) 7.592 17.206 ( -2.763 2.050 1.045) 3.596 17.235 ( -2.168 -0.720 -0.628) 2.369 17.764 ( 0.747 -1.015 0.544) 1.372 17.804 ( 1.325 1.441 -0.509) 2.022 18.571 ( 0.059 0.641 -0.377) 0.746 18.850 ( 4.551 0.241 2.810) 5.355 ======================= Grid point 45 (37/226) ======================= q-point: ( 0.09 0.36 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( -21.633 -6.365 15.872) 27.576 1.477 ( -18.557 5.220 -6.846) 20.456 2.007 ( 3.451 7.567 3.257) 8.932 2.405 ( 2.980 6.139 6.790) 9.626 2.715 ( 6.860 -0.288 -1.263) 6.981 3.200 ( 16.108 -15.303 -6.641) 23.190 4.659 ( 14.489 -2.223 -6.395) 15.992 5.164 ( 10.669 1.029 -3.127) 11.165 5.488 ( -1.665 -7.403 -1.504) 7.736 6.544 ( -1.019 5.569 1.400) 5.832 6.853 ( -5.351 0.489 0.970) 5.460 6.999 ( -14.110 -6.613 13.872) 20.863 7.270 ( -16.718 6.321 -8.736) 19.893 7.691 ( -3.511 0.045 -0.445) 3.539 8.313 ( 0.314 3.931 6.657) 7.737 8.492 ( 7.614 6.826 7.019) 12.404 8.871 ( 6.617 4.187 -12.152) 14.456 9.164 ( -0.935 -15.300 -2.071) 15.468 17.168 ( -3.527 0.993 0.124) 3.666 17.254 ( -0.801 0.779 0.586) 1.262 17.690 ( -1.771 -0.778 -2.229) 2.951 17.856 ( 0.766 -1.048 1.615) 2.072 18.571 ( -0.442 0.024 -0.896) 0.999 18.898 ( 2.088 -4.822 -0.628) 5.292 ======================= Grid point 46 (38/226) ======================= q-point: ( 0.18 0.36 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.844 ( -16.049 -0.744 14.133) 21.398 1.206 ( -14.289 3.256 -0.169) 14.656 2.140 ( 5.081 0.647 -0.117) 5.123 2.547 ( 0.458 7.605 5.748) 9.544 2.770 ( 1.803 -2.459 -1.208) 3.280 3.285 ( 13.081 -9.820 -2.633) 16.568 4.898 ( 17.442 2.234 -10.575) 20.519 5.338 ( 6.764 -0.705 -3.152) 7.496 5.383 ( 4.448 -9.283 3.232) 10.789 6.496 ( -14.222 3.532 0.583) 14.666 6.713 ( -10.564 -5.480 10.244) 15.702 6.851 ( -4.763 0.122 3.037) 5.650 7.027 ( -10.874 7.674 -9.360) 16.271 7.645 ( -2.217 0.956 0.367) 2.442 8.284 ( 2.829 -20.796 -7.342) 22.234 8.656 ( -6.078 10.550 8.124) 14.637 8.901 ( 7.162 0.702 -8.492) 11.131 9.133 ( 4.028 1.924 4.287) 6.189 17.145 ( -0.558 2.154 -0.559) 2.294 17.251 ( -0.254 -0.319 0.766) 0.868 17.632 ( -2.565 -0.234 -2.582) 3.647 17.856 ( -0.366 -1.327 1.024) 1.716 18.541 ( -1.432 -1.105 -1.442) 2.313 18.848 ( 1.169 -9.389 -2.370) 9.754 ======================= Grid point 47 (39/226) ======================= q-point: ( 0.27 0.36 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.783 ( -1.982 5.946 7.973) 10.141 1.084 ( -4.476 1.329 7.632) 8.947 2.146 ( 1.294 -8.790 -4.174) 9.816 2.635 ( 0.410 1.893 -0.104) 1.940 2.727 ( -2.712 0.363 -0.519) 2.786 3.450 ( 8.695 2.349 7.174) 11.515 5.067 ( 6.626 1.019 -13.982) 15.507 5.371 ( 9.889 -2.186 -3.195) 10.619 5.534 ( 10.182 -5.572 6.003) 13.067 6.156 ( -22.506 -2.155 1.387) 22.651 6.597 ( -5.135 -0.658 4.814) 7.069 6.766 ( -6.350 2.191 -1.877) 6.974 6.972 ( -0.782 3.437 -0.005) 3.525 7.636 ( -0.558 0.981 -0.123) 1.135 7.926 ( -3.414 -27.562 -16.489) 32.299 8.700 ( -4.425 9.400 6.683) 12.353 9.033 ( 4.971 4.442 -0.068) 6.667 9.280 ( 5.686 3.557 3.535) 7.581 17.180 ( 2.175 2.708 -1.754) 3.891 17.251 ( 0.555 -0.977 0.742) 1.347 17.571 ( -2.779 0.415 -2.233) 3.589 17.833 ( -1.070 -1.269 0.150) 1.667 18.492 ( -0.944 -2.254 -1.387) 2.810 18.721 ( -0.737 -12.782 -3.820) 13.361 ======================= Grid point 48 (40/226) ======================= q-point: ( 0.36 0.36 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.935 ( 7.423 5.619 1.343) 9.407 1.170 ( 6.017 0.481 9.765) 11.480 1.987 ( -3.482 -11.345 -4.750) 12.782 2.526 ( -5.494 -4.524 -4.798) 8.583 2.758 ( 1.464 2.260 -0.430) 2.727 3.687 ( 1.890 10.457 14.598) 18.056 5.052 ( 0.101 0.513 -4.302) 4.334 5.453 ( -2.157 6.133 -12.643) 14.216 5.588 ( -5.683 -1.878 -5.356) 8.032 5.916 ( 8.280 -14.017 13.117) 20.906 6.572 ( -0.563 2.364 -1.570) 2.893 6.716 ( -0.340 0.613 3.207) 3.283 6.997 ( -0.196 1.779 0.690) 1.918 7.452 ( -4.517 -21.989 -14.504) 26.727 7.696 ( 1.356 0.132 -1.796) 2.254 8.755 ( -2.382 6.444 2.924) 7.466 9.131 ( 1.371 3.258 2.285) 4.208 9.414 ( 3.689 2.710 2.151) 5.058 17.222 ( 1.110 1.113 -1.960) 2.513 17.275 ( 3.122 -0.391 0.006) 3.146 17.522 ( -2.525 1.268 -1.007) 3.000 17.803 ( -0.762 -0.997 -0.362) 1.306 18.454 ( 0.147 -2.546 -1.055) 2.760 18.540 ( -1.291 -13.312 -4.870) 14.234 ======================= Grid point 49 (41/226) ======================= q-point: ( 0.45 0.36 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( 9.783 0.297 -1.066) 9.846 1.351 ( 8.689 -0.601 1.720) 8.878 1.787 ( -5.536 -7.363 -2.511) 9.548 2.393 ( -2.549 -1.406 -0.836) 3.029 2.768 ( 0.400 -1.892 -2.511) 3.170 3.817 ( -9.836 7.149 14.404) 18.850 5.084 ( -0.521 8.332 2.052) 8.597 5.221 ( -13.949 7.256 -16.207) 22.581 5.485 ( -3.470 -4.093 6.590) 8.498 6.122 ( 20.263 -15.617 1.939) 25.657 6.601 ( 2.429 4.906 -4.995) 7.410 6.792 ( 5.495 -0.968 1.360) 5.743 7.002 ( 0.273 -1.195 0.763) 1.444 7.139 ( 0.254 -14.161 -7.742) 16.141 7.728 ( 2.155 0.610 -0.999) 2.453 8.762 ( -4.075 4.172 -1.064) 5.928 9.185 ( 0.231 1.226 4.436) 4.608 9.478 ( 0.070 1.976 0.114) 1.981 17.229 ( 0.677 -0.500 -0.551) 1.006 17.325 ( 3.684 -1.597 -1.534) 4.298 17.499 ( -2.413 3.021 0.654) 3.921 17.788 ( 0.019 -0.438 -0.191) 0.479 18.381 ( 0.494 -9.670 -5.092) 10.940 18.435 ( 1.333 -2.537 -0.773) 2.968 ======================= Grid point 50 (42/226) ======================= q-point: ( 0.55 0.36 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( 10.362 -2.967 0.254) 10.782 1.433 ( 4.948 -2.205 -7.778) 9.479 1.643 ( -4.333 -0.994 -0.830) 4.523 2.429 ( 3.845 1.993 4.684) 6.379 2.710 ( -1.427 -3.997 -2.639) 4.997 3.657 ( -19.464 0.543 7.994) 21.048 4.964 ( -11.332 7.063 -10.016) 16.692 5.197 ( -1.195 1.152 2.220) 2.772 5.517 ( 0.491 7.903 13.380) 15.547 6.204 ( 9.086 -14.957 -9.724) 20.020 6.682 ( 4.354 3.085 0.138) 5.338 6.883 ( 11.293 2.839 -12.779) 17.289 7.007 ( -1.292 -0.862 1.600) 2.230 7.156 ( 13.507 -8.984 9.040) 18.571 7.763 ( 2.757 -0.719 -1.191) 3.088 8.679 ( -8.340 2.787 -2.347) 9.101 9.220 ( 0.677 -1.265 3.824) 4.084 9.458 ( -3.650 1.509 -1.256) 4.145 17.234 ( 0.865 -1.418 1.191) 2.044 17.342 ( 3.395 -4.222 -3.129) 6.257 17.511 ( -2.047 5.610 1.862) 6.255 17.785 ( -0.143 -0.348 0.079) 0.384 18.321 ( 3.921 -4.250 -3.521) 6.770 18.443 ( 2.121 -1.217 -0.325) 2.467 ======================= Grid point 51 (43/226) ======================= q-point: (-0.36 0.36 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( -2.271 0.891 0.283) 2.456 1.454 ( 12.709 -4.027 -0.179) 13.333 1.644 ( 4.296 4.762 -4.447) 7.805 2.528 ( 2.516 -1.568 0.178) 2.970 2.637 ( -1.585 -2.485 1.957) 3.538 3.323 ( -21.174 -0.945 1.527) 21.250 4.833 ( -7.432 6.285 -0.740) 9.762 5.139 ( -1.598 -4.764 -0.395) 5.040 5.637 ( 0.826 -6.664 -2.425) 7.139 6.197 ( 1.406 10.452 5.151) 11.737 6.818 ( 5.908 3.063 3.219) 7.393 6.957 ( -3.007 -0.132 -0.549) 3.059 7.089 ( 15.003 6.097 -15.269) 22.258 7.420 ( 18.273 -10.051 13.132) 24.645 7.800 ( 4.737 -2.631 -1.308) 5.574 8.511 ( -12.400 2.301 -1.203) 12.669 9.207 ( -2.114 -3.284 -0.021) 3.906 9.391 ( -3.786 1.065 -0.572) 3.974 17.244 ( 0.747 -1.825 2.572) 3.241 17.329 ( 2.603 -4.018 -3.693) 6.047 17.561 ( -0.321 6.302 1.300) 6.442 17.773 ( -0.555 -0.620 -0.276) 0.877 18.379 ( 5.426 0.795 0.057) 5.484 18.481 ( 3.086 -0.176 0.174) 3.096 ======================= Grid point 52 (44/226) ======================= q-point: (-0.27 0.36 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.367 ( -3.701 5.785 3.481) 7.699 1.683 ( 13.713 -3.070 6.637) 15.541 1.791 ( 8.518 6.669 -5.697) 12.226 2.509 ( 3.398 -4.852 -2.730) 6.523 2.590 ( -5.933 -2.863 4.783) 8.141 2.958 ( -19.301 0.591 -5.271) 20.017 4.815 ( -2.967 3.427 5.056) 6.790 5.087 ( 1.666 -3.418 -2.901) 4.783 5.429 ( -0.915 -15.981 -13.510) 20.946 6.466 ( -0.265 19.582 15.892) 25.221 6.880 ( -2.960 -2.993 0.190) 4.214 6.976 ( 1.698 9.989 4.774) 11.201 7.321 ( 14.768 6.559 -14.181) 21.499 7.679 ( 10.834 -5.159 8.089) 14.472 7.885 ( 12.748 -9.233 1.906) 15.855 8.301 ( -14.028 2.863 0.612) 14.330 9.069 ( -8.902 -1.611 -3.519) 9.707 9.366 ( 0.956 -1.769 0.262) 2.028 17.254 ( 0.181 -1.106 2.650) 2.877 17.312 ( 1.532 -2.339 -2.836) 3.982 17.635 ( 1.263 5.840 -0.144) 5.977 17.757 ( -0.091 -0.979 -0.274) 1.021 18.493 ( 3.031 3.242 2.222) 4.963 18.551 ( 5.181 0.265 1.453) 5.388 ======================= Grid point 53 (45/226) ======================= q-point: (-0.18 0.36 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.441 ( -2.021 10.832 8.891) 14.158 1.860 ( 3.851 -2.112 2.831) 5.226 1.980 ( 9.450 1.977 1.252) 9.736 2.438 ( -8.022 -4.664 3.295) 9.847 2.581 ( 5.071 -0.538 -0.298) 5.108 2.621 ( -9.634 0.048 -10.764) 14.446 4.813 ( 1.081 -5.238 -1.505) 5.556 5.010 ( -0.464 -9.409 -9.331) 13.260 5.310 ( 4.723 -0.009 -0.798) 4.790 6.636 ( -3.811 4.480 3.776) 6.989 6.843 ( -0.905 2.379 5.633) 6.181 7.151 ( -2.923 16.861 11.345) 20.532 7.526 ( 9.246 5.560 -8.771) 13.905 7.807 ( 6.739 1.438 -3.392) 7.680 7.967 ( -1.346 -11.859 11.000) 16.231 8.181 ( 1.511 1.242 -1.167) 2.278 8.868 ( -10.152 1.200 -3.965) 10.964 9.376 ( 3.883 -4.977 -0.460) 6.330 17.257 ( -0.507 0.056 0.780) 0.932 17.302 ( -0.137 -0.311 -0.346) 0.485 17.709 ( 1.519 4.324 -0.828) 4.657 17.752 ( 1.154 -1.286 0.082) 1.729 18.550 ( 0.940 1.338 -0.040) 1.635 18.683 ( 5.326 2.174 4.623) 7.380 ======================= Grid point 54 (46/226) ======================= q-point: (-0.09 0.36 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( -2.473 9.599 11.605) 15.263 1.808 ( -10.197 -2.017 9.539) 14.108 2.045 ( -5.084 0.735 -4.329) 6.717 2.326 ( -8.987 -0.094 -6.504) 11.094 2.404 ( 6.397 2.123 -2.120) 7.066 2.828 ( 18.880 -5.610 0.011) 19.696 4.681 ( 2.852 -14.559 -13.244) 19.887 4.939 ( 3.171 -1.360 -2.241) 4.114 5.453 ( 5.524 3.609 3.334) 7.393 6.560 ( -4.258 -1.294 -1.410) 4.668 6.900 ( -0.670 2.579 3.824) 4.661 7.290 ( -9.313 12.852 12.132) 19.978 7.617 ( -0.331 2.180 -0.340) 2.231 7.798 ( -7.519 -1.519 7.814) 10.950 8.006 ( 10.218 4.063 -3.692) 11.599 8.213 ( -0.616 0.949 -1.701) 2.043 8.749 ( -2.521 2.663 -2.791) 4.608 9.383 ( 5.555 -9.580 -1.773) 11.215 17.251 ( -0.807 0.553 -0.107) 0.984 17.286 ( -2.599 1.325 0.682) 2.996 17.741 ( 0.730 -0.911 0.097) 1.171 17.785 ( 2.099 1.603 -0.278) 2.656 18.566 ( 0.494 0.393 -0.813) 1.029 18.809 ( 3.702 1.535 4.093) 5.728 ======================= Grid point 56 (47/226) ======================= q-point: ( 0.09 0.45 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( -17.077 -6.641 10.836) 21.288 1.781 ( -16.200 3.937 -8.672) 18.792 1.919 ( 4.734 -0.584 -0.249) 4.777 2.488 ( 5.290 6.027 -0.701) 8.050 2.608 ( 5.590 1.713 4.932) 7.649 2.805 ( 12.664 -7.804 -1.517) 14.952 4.435 ( 8.213 2.394 0.540) 8.572 4.998 ( 7.537 1.140 -2.058) 7.896 5.447 ( -3.200 -6.583 -2.789) 7.833 6.593 ( 2.305 5.074 1.948) 5.904 6.921 ( -2.672 -0.467 -0.398) 2.742 7.282 ( -16.132 -6.726 12.774) 21.648 7.566 ( -14.220 9.087 -8.028) 18.688 7.739 ( -2.713 -0.201 -1.103) 2.935 8.057 ( 10.200 -14.913 -4.498) 18.619 8.588 ( 7.242 3.577 -8.983) 12.081 8.853 ( -4.165 13.777 3.799) 14.886 9.016 ( 4.107 -9.907 4.492) 11.627 17.236 ( -2.754 -0.259 1.116) 2.983 17.283 ( -2.006 1.039 -1.191) 2.554 17.705 ( -1.365 0.127 -0.920) 1.651 17.822 ( 1.837 -2.733 1.398) 3.578 18.566 ( 0.250 -0.066 -0.754) 0.797 18.830 ( -0.604 -3.999 -2.831) 4.937 ======================= Grid point 57 (48/226) ======================= q-point: ( 0.18 0.45 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.203 ( -17.080 -2.922 11.572) 20.837 1.487 ( -16.132 3.071 -4.672) 17.073 1.992 ( 5.792 -4.861 -0.852) 7.609 2.548 ( 3.610 -3.154 -4.476) 6.558 2.710 ( 4.288 0.111 -1.764) 4.638 3.051 ( 13.775 4.239 8.448) 16.706 4.652 ( 10.678 6.739 -0.659) 12.644 5.160 ( 10.681 1.080 -1.275) 10.811 5.294 ( -2.677 -8.836 -1.702) 9.388 6.686 ( -1.484 6.655 1.000) 6.891 6.848 ( -4.310 -1.836 0.005) 4.684 7.020 ( -14.578 -9.523 16.053) 23.683 7.296 ( -18.254 9.914 -14.710) 25.454 7.697 ( -2.382 0.601 0.672) 2.546 7.916 ( 3.606 -25.020 -13.287) 28.557 8.682 ( 9.629 -2.869 -8.215) 12.978 8.949 ( -4.574 13.342 8.129) 16.279 9.100 ( 5.521 1.927 5.818) 8.249 17.191 ( -2.792 1.102 0.382) 3.025 17.260 ( -0.869 0.014 -0.635) 1.076 17.666 ( -2.531 0.564 -1.372) 2.934 17.830 ( 1.567 -3.549 1.535) 4.173 18.546 ( -1.374 -0.873 -1.702) 2.355 18.732 ( -0.829 -8.028 -4.703) 9.341 ======================= Grid point 58 (49/226) ======================= q-point: ( 0.27 0.45 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.018 ( -11.660 2.918 10.217) 15.776 1.262 ( -10.676 1.885 1.278) 10.916 1.979 ( 3.216 -10.713 -3.322) 11.668 2.560 ( 4.312 -2.779 -4.126) 6.583 2.724 ( 0.307 -1.846 -2.911) 3.461 3.417 ( 12.747 10.308 10.653) 19.551 4.888 ( 9.055 9.050 -7.126) 14.652 5.196 ( 3.727 -10.254 4.430) 11.775 5.364 ( 9.866 2.312 0.515) 10.147 6.548 ( -21.411 -0.639 0.914) 21.440 6.726 ( -6.808 -2.498 4.253) 8.407 6.862 ( -5.259 -2.064 1.000) 5.737 7.050 ( -7.300 4.179 -6.499) 10.630 7.576 ( -1.796 -23.407 -15.681) 28.231 7.684 ( -0.836 0.250 -0.198) 0.895 8.757 ( 5.030 -2.390 -0.082) 5.570 9.058 ( 0.136 9.543 1.502) 9.661 9.268 ( 4.579 5.026 6.438) 9.364 17.179 ( -0.440 2.243 -0.700) 2.391 17.244 ( -0.388 -0.422 -0.245) 0.624 17.619 ( -2.770 1.158 -1.014) 3.169 17.822 ( 0.483 -3.102 0.830) 3.247 18.483 ( -2.243 -2.814 -2.120) 4.176 18.591 ( -1.232 -10.114 -5.088) 11.389 ======================= Grid point 59 (50/226) ======================= q-point: ( 0.36 0.45 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( -3.935 4.934 4.992) 8.047 1.194 ( -1.862 1.280 6.260) 6.656 1.877 ( 0.654 -10.518 -3.231) 11.023 2.527 ( -2.550 -3.579 -4.458) 6.260 2.702 ( 2.420 -1.353 -2.634) 3.825 3.796 ( 9.955 11.521 10.085) 18.263 5.024 ( 3.322 5.595 -2.093) 6.836 5.295 ( 11.789 -2.850 -0.374) 12.134 5.530 ( 5.376 1.461 2.275) 6.017 6.083 ( -24.145 -5.978 -3.619) 25.136 6.628 ( -5.140 -1.589 3.196) 6.258 6.754 ( -2.421 -2.233 -0.647) 3.356 7.018 ( -0.757 1.769 -0.973) 2.156 7.224 ( -3.638 -17.150 -13.625) 22.204 7.689 ( -0.061 1.424 0.216) 1.442 8.806 ( 1.841 -0.695 1.711) 2.608 9.149 ( 1.303 5.247 -0.607) 5.440 9.416 ( 3.027 4.095 4.709) 6.935 17.202 ( 0.976 2.174 -2.146) 3.207 17.238 ( 0.495 -0.568 0.361) 0.836 17.588 ( -2.391 2.321 0.113) 3.334 17.798 ( -0.364 -2.189 0.033) 2.219 18.379 ( -1.176 -9.974 -2.901) 10.453 18.461 ( -1.745 -3.454 -3.149) 4.989 ======================= Grid point 60 (51/226) ======================= q-point: ( 0.45 0.45 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( 2.087 1.186 0.198) 2.408 1.260 ( 3.065 0.304 3.203) 4.444 1.779 ( -1.429 -4.750 -0.938) 5.049 2.412 ( -2.659 -1.895 -2.249) 3.965 2.716 ( 1.365 -1.359 -1.802) 2.637 4.043 ( 0.418 5.738 7.078) 9.121 5.154 ( 2.979 6.563 5.617) 9.137 5.447 ( 0.104 8.991 -10.810) 14.061 5.503 ( -7.444 0.483 -4.979) 8.969 5.745 ( 3.427 -16.750 8.670) 19.170 6.569 ( -0.020 -0.449 -2.013) 2.063 6.756 ( 1.669 -0.212 2.576) 3.077 6.922 ( -2.379 -6.967 -7.685) 10.642 7.058 ( -0.204 -1.520 -0.234) 1.551 7.706 ( 0.638 0.600 -0.219) 0.903 8.824 ( -0.583 0.680 0.087) 0.900 9.197 ( 0.711 1.249 0.473) 1.513 9.501 ( 0.735 2.136 1.773) 2.872 17.212 ( 0.358 0.232 -1.169) 1.244 17.256 ( 1.548 -0.605 -0.417) 1.714 17.585 ( -1.823 3.347 1.082) 3.962 17.776 ( 0.088 -1.220 -0.223) 1.244 18.250 ( 0.020 -7.668 -2.920) 8.206 18.415 ( -0.345 -0.822 -0.777) 1.182 ======================= Grid point 61 (52/226) ======================= q-point: (-0.45 -0.55 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( 7.077 -1.745 -1.745) 7.495 1.297 ( 2.938 -2.150 -4.420) 5.726 1.724 ( -3.268 1.950 0.659) 3.862 2.420 ( 2.644 2.081 3.238) 4.669 2.690 ( -1.361 -1.685 -1.078) 2.420 3.976 ( -12.973 -2.461 3.265) 13.602 5.143 ( -9.233 3.063 -11.461) 15.033 5.258 ( -6.210 0.851 1.597) 6.468 5.644 ( -0.942 2.935 3.732) 4.840 5.835 ( 19.763 -5.232 7.091) 21.638 6.617 ( 6.129 4.040 -6.174) 9.592 6.726 ( -0.642 0.332 -4.287) 4.348 6.957 ( 8.438 -2.480 8.567) 12.278 7.044 ( -0.983 -0.034 -0.058) 0.985 7.717 ( 1.105 -0.635 -0.717) 1.463 8.795 ( -3.807 1.877 -1.596) 4.534 9.207 ( 0.250 -2.205 1.612) 2.743 9.503 ( -1.723 -0.240 -1.266) 2.152 17.215 ( 0.621 -0.983 0.772) 1.395 17.258 ( 0.882 -1.881 -1.295) 2.448 17.599 ( -1.049 2.836 1.032) 3.195 17.774 ( 0.553 -0.339 -0.265) 0.700 18.223 ( 2.605 0.381 -0.629) 2.707 18.416 ( 0.904 0.130 0.597) 1.091 ======================= Grid point 63 (53/226) ======================= q-point: (-0.36 -0.55 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.192 ( 10.778 -3.952 -4.920) 12.489 1.317 ( 6.293 -1.239 -3.539) 7.325 1.725 ( -3.297 8.575 2.343) 9.481 2.503 ( 0.273 0.470 1.776) 1.857 2.654 ( -0.580 0.262 2.099) 2.193 3.655 ( -18.888 -5.050 -0.963) 19.575 4.991 ( -5.875 1.728 -2.637) 6.667 5.140 ( -5.269 -3.059 -1.813) 6.357 5.522 ( -4.128 -10.461 -5.838) 12.671 6.313 ( 15.439 16.631 13.448) 26.378 6.723 ( 5.915 -0.367 1.536) 6.122 6.815 ( 11.239 6.598 -10.701) 16.863 7.021 ( -1.943 1.860 0.105) 2.692 7.170 ( 10.644 -2.206 12.575) 16.622 7.724 ( 1.720 -1.578 -1.104) 2.582 8.708 ( -7.988 2.746 -1.182) 8.530 9.185 ( 0.056 -4.328 0.912) 4.423 9.427 ( -3.261 -2.765 -3.742) 5.682 17.221 ( 1.237 -2.566 1.689) 3.312 17.246 ( 0.915 -1.170 -1.667) 2.233 17.620 ( 0.369 1.848 0.795) 2.046 17.777 ( -0.464 1.194 -0.757) 1.488 18.327 ( 4.482 5.763 2.545) 7.732 18.454 ( 1.720 1.241 1.666) 2.697 ======================= Grid point 64 (54/226) ======================= q-point: (-0.27 -0.55 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( 10.700 -0.725 -8.258) 13.535 1.479 ( 12.825 -1.474 4.490) 13.668 1.806 ( -1.169 11.115 2.028) 11.359 2.459 ( -2.870 -1.151 0.132) 3.095 2.672 ( -2.332 -0.024 3.705) 4.378 3.259 ( -19.119 -3.990 -4.817) 20.117 4.875 ( -4.020 -10.832 1.660) 11.672 5.071 ( -2.405 7.428 -4.175) 8.854 5.295 ( -5.118 -8.306 -5.248) 11.078 6.696 ( 2.110 10.855 8.369) 13.868 6.830 ( 4.220 -4.706 1.297) 6.453 7.034 ( 15.288 9.596 -17.349) 25.036 7.127 ( 5.602 13.113 12.713) 19.104 7.421 ( 12.171 -3.985 14.122) 19.064 7.735 ( 2.528 -1.855 -1.495) 3.474 8.566 ( -11.744 3.147 1.561) 12.258 9.127 ( -2.363 -3.415 -1.808) 4.529 9.308 ( -1.513 -6.232 -5.063) 8.170 17.232 ( 2.692 -2.441 -0.753) 3.711 17.250 ( 0.657 -0.314 0.766) 1.056 17.660 ( 1.810 1.181 0.864) 2.327 17.771 ( -1.754 2.904 -1.395) 3.668 18.493 ( 4.959 3.996 3.878) 7.456 18.514 ( 1.400 4.303 2.969) 5.412 ======================= Grid point 65 (55/226) ======================= q-point: (-0.18 -0.55 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( 10.369 4.951 -4.513) 12.345 1.737 ( 13.056 -2.037 7.854) 15.372 1.891 ( 1.344 5.673 -2.306) 6.270 2.444 ( 0.299 0.928 2.454) 2.641 2.594 ( -7.386 -2.523 5.507) 9.552 2.877 ( -17.278 -0.799 -8.769) 19.393 4.671 ( -2.649 -13.667 -7.396) 15.764 5.010 ( -6.818 -0.697 -0.892) 6.912 5.269 ( 4.191 5.415 2.348) 7.238 6.715 ( -3.919 -3.555 -0.479) 5.313 6.874 ( 2.283 2.277 2.396) 4.017 7.294 ( 15.423 7.990 -13.639) 22.085 7.488 ( 0.645 21.704 15.285) 26.554 7.670 ( 13.272 -8.090 12.999) 20.263 7.756 ( 3.620 -2.326 -2.313) 4.885 8.409 ( -12.382 4.368 5.781) 14.346 9.004 ( -7.421 0.493 -4.774) 8.838 9.211 ( 3.779 -10.650 -5.390) 12.520 17.249 ( 1.475 0.204 -2.258) 2.704 17.277 ( 2.074 -1.052 2.585) 3.477 17.708 ( 2.333 -0.365 0.607) 2.438 17.762 ( -2.091 4.283 -1.472) 4.989 18.549 ( 0.751 0.779 0.704) 1.291 18.672 ( 3.910 5.462 5.898) 8.940 ======================= Grid point 66 (56/226) ======================= q-point: (-0.09 0.45 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( 6.958 6.471 -0.072) 9.502 1.852 ( 0.663 -0.711 -0.413) 1.056 2.037 ( 9.523 -0.293 4.047) 10.351 2.372 ( -7.545 -5.904 6.192) 11.408 2.546 ( -11.303 3.012 -9.919) 15.337 2.613 ( 2.363 2.444 3.083) 4.590 4.456 ( -1.020 -10.807 -9.179) 14.216 4.915 ( -2.383 -1.003 0.132) 2.589 5.434 ( 4.489 5.422 3.571) 7.893 6.595 ( -3.740 -3.535 -1.817) 5.458 6.935 ( 0.884 1.579 1.513) 2.359 7.533 ( 9.958 6.863 -7.321) 14.137 7.675 ( -7.954 10.753 9.149) 16.205 7.774 ( 3.101 0.254 -4.093) 5.141 7.851 ( 8.380 -9.105 10.827) 16.442 8.359 ( -5.594 9.779 8.422) 14.066 8.859 ( -7.547 4.186 -4.875) 9.912 9.144 ( 5.917 -13.648 -5.473) 15.850 17.259 ( 0.275 0.706 -0.794) 1.097 17.316 ( 1.069 0.028 1.396) 1.758 17.724 ( 0.457 -0.795 -0.263) 0.954 17.779 ( 0.260 2.794 -0.359) 2.829 18.559 ( 0.035 0.173 -0.161) 0.239 18.803 ( 2.554 2.850 4.086) 5.598 ======================= Grid point 135 (57/226) ======================= q-point: ( 0.09 0.09 0.09) 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 2.98e-04 3.39e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.446 ( -0.000 0.000 23.750) 23.750 0.446 ( -0.000 0.000 23.750) 23.750 0.571 ( -0.000 0.000 30.557) 30.557 2.932 ( 0.000 -0.000 -5.657) 5.657 2.932 ( 0.000 -0.000 -5.657) 5.657 4.756 ( 0.000 -0.000 -18.913) 18.913 5.431 ( 0.000 -0.000 -8.697) 8.697 5.431 ( 0.000 -0.000 -8.697) 8.697 5.899 ( 0.000 -0.000 -10.922) 10.922 6.457 ( 0.000 0.000 -0.694) 0.694 6.457 ( 0.000 0.000 -0.694) 0.694 6.575 ( -0.000 0.000 24.471) 24.471 6.732 ( -0.000 0.000 12.610) 12.610 6.732 ( -0.000 0.000 12.610) 12.610 7.587 ( -0.000 0.000 0.326) 0.326 9.018 ( 0.000 -0.000 -3.323) 3.323 9.018 ( 0.000 -0.000 -3.323) 3.323 9.859 ( 0.000 -0.000 -2.839) 2.839 17.072 ( -0.000 0.000 1.331) 1.331 17.072 ( -0.000 0.000 1.331) 1.331 17.763 ( -0.000 0.000 0.082) 0.082 17.763 ( 0.000 0.000 0.082) 0.082 18.522 ( -0.000 0.000 0.592) 0.592 19.345 ( 0.000 -0.000 -0.843) 0.843 ======================= Grid point 136 (58/226) ======================= q-point: ( 0.18 0.09 0.09) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.592 ( 6.225 9.643 15.080) 18.951 0.746 ( 1.652 14.785 22.716) 27.154 0.952 ( 19.224 -2.540 25.158) 31.764 2.803 ( -5.166 -3.791 -8.442) 10.599 2.907 ( -1.094 -1.807 -4.820) 5.262 4.462 ( -13.798 -6.891 -19.069) 24.525 5.195 ( -5.396 -7.626 -14.127) 16.936 5.582 ( 3.195 0.175 1.241) 3.432 5.736 ( -5.489 -1.165 -9.143) 10.728 6.305 ( -6.014 3.193 -0.060) 6.810 6.556 ( 6.191 -4.029 1.472) 7.531 6.630 ( 2.766 4.828 4.737) 7.308 6.938 ( -5.487 24.280 17.447) 30.397 7.095 ( 25.278 -12.759 17.069) 33.062 7.587 ( 0.332 0.783 1.903) 2.085 8.900 ( -2.951 -6.067 -5.559) 8.742 9.050 ( -0.126 -2.789 5.181) 5.885 9.684 ( -9.435 1.051 -7.992) 12.409 17.074 ( -0.664 1.856 0.975) 2.199 17.161 ( 4.151 1.032 0.565) 4.315 17.741 ( -2.529 2.050 -0.595) 3.310 17.773 ( 2.293 -1.599 -0.213) 2.804 18.534 ( 0.617 0.260 0.502) 0.837 19.218 ( -7.052 -4.909 4.726) 9.806 ======================= Grid point 137 (59/226) ======================= q-point: ( 0.27 0.09 0.09) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( 10.078 15.379 7.052) 19.693 1.091 ( 3.744 18.931 18.451) 26.700 1.415 ( 21.033 -4.225 20.933) 29.974 2.589 ( -7.631 -5.440 -8.454) 12.621 2.806 ( -2.436 -5.959 -4.739) 7.994 3.979 ( -20.058 -8.339 -14.799) 26.284 4.930 ( -6.349 -7.014 -14.481) 17.298 5.431 ( -10.013 -9.480 3.108) 14.134 5.681 ( -3.277 0.768 0.374) 3.386 6.335 ( 4.713 6.098 -5.631) 9.544 6.658 ( 8.659 0.338 -1.740) 8.838 6.765 ( 4.660 4.577 0.172) 6.534 7.198 ( -4.445 23.804 16.114) 29.087 7.503 ( 21.841 -10.276 12.809) 27.326 7.658 ( 6.268 1.127 5.506) 8.418 8.729 ( -2.226 -11.918 -6.830) 13.915 8.995 ( -6.734 -5.590 9.535) 12.943 9.517 ( -7.231 8.304 -14.905) 18.531 17.101 ( 0.498 2.850 0.833) 3.011 17.222 ( 1.587 0.003 2.396) 2.874 17.719 ( -1.985 2.656 -1.504) 3.641 17.808 ( 3.415 -1.208 -0.731) 3.695 18.549 ( 0.742 0.047 -0.341) 0.818 19.088 ( -5.678 -4.566 2.735) 7.783 ======================= Grid point 138 (60/226) ======================= q-point: ( 0.36 0.09 0.09) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( 11.381 13.604 -0.904) 17.760 1.464 ( 2.971 21.365 16.949) 27.433 1.800 ( 15.006 -5.912 12.269) 20.265 2.376 ( -4.120 -5.697 -3.048) 7.663 2.660 ( -2.041 -8.668 -4.735) 10.085 3.464 ( -21.285 -7.389 -8.849) 24.206 4.666 ( -7.944 -5.189 -10.533) 14.177 5.187 ( -8.625 -9.054 1.874) 12.644 5.613 ( -5.172 0.283 1.595) 5.420 6.450 ( 5.232 1.916 -1.214) 5.702 6.835 ( 7.282 5.051 -0.951) 8.913 6.888 ( 10.169 3.327 -7.864) 13.278 7.445 ( -2.714 19.560 13.132) 23.715 7.675 ( 3.384 2.486 -0.277) 4.208 7.990 ( 23.325 -8.770 14.850) 29.009 8.497 ( -4.615 -14.749 -6.598) 16.804 8.850 ( -8.931 -2.314 2.568) 9.577 9.396 ( -7.988 7.778 -9.960) 14.950 17.158 ( 1.881 3.516 0.623) 4.036 17.256 ( 0.604 0.052 2.926) 2.989 17.707 ( -1.124 2.366 -1.687) 3.116 17.843 ( 2.351 -1.706 -0.523) 2.952 18.553 ( 0.659 -0.546 -1.607) 1.820 18.964 ( -4.576 -3.541 -0.713) 5.830 ======================= Grid point 139 (61/226) ======================= q-point: ( 0.45 0.09 0.09) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.581 ( 9.926 11.326 -5.396) 15.997 1.782 ( 1.318 15.151 10.051) 18.229 1.885 ( 0.588 -6.147 -0.470) 6.193 2.339 ( 3.520 -6.801 0.016) 7.658 2.564 ( 1.904 -4.556 3.479) 6.040 3.025 ( -17.863 -5.534 -1.251) 18.742 4.447 ( -6.660 -3.527 -2.945) 8.091 4.998 ( -5.097 -6.257 0.920) 8.122 5.544 ( -3.868 1.280 -0.495) 4.104 6.526 ( 2.756 -0.657 1.623) 3.265 6.925 ( 1.414 2.080 0.836) 2.650 7.137 ( 17.840 6.476 -13.532) 23.309 7.637 ( -1.110 11.038 7.440) 13.358 7.729 ( 1.447 1.871 -1.753) 2.944 8.203 ( -8.906 -11.250 -5.983) 15.546 8.372 ( 18.063 -6.133 11.471) 22.259 8.716 ( -4.068 1.402 -2.774) 5.119 9.257 ( -10.597 3.685 -2.035) 11.403 17.236 ( 2.563 3.504 0.318) 4.353 17.280 ( 0.048 0.378 2.399) 2.429 17.707 ( -0.230 1.642 -1.167) 2.028 17.839 ( 0.109 -2.741 -0.504) 2.789 18.544 ( 0.775 -0.977 -2.218) 2.545 18.862 ( -2.479 -1.458 -4.108) 5.015 ======================= Grid point 140 (62/226) ======================= q-point: ( 0.55 0.09 0.09) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.726 ( -0.222 0.415 -6.608) 6.625 1.836 ( 0.620 -1.450 0.582) 1.681 1.933 ( 8.296 2.373 -6.766) 10.965 2.313 ( -2.328 2.796 -1.315) 3.869 2.629 ( 0.877 1.819 7.780) 8.038 2.739 ( -11.405 -5.731 7.006) 14.560 4.373 ( 1.078 -2.288 6.408) 6.889 4.912 ( -1.154 -1.220 1.224) 2.078 5.502 ( -2.125 2.344 -2.216) 3.862 6.556 ( 0.716 -1.375 2.228) 2.714 6.953 ( -0.106 0.922 -0.408) 1.014 7.396 ( 15.383 -0.438 -15.965) 22.175 7.642 ( -0.260 -3.451 -6.099) 7.013 7.789 ( 2.929 0.476 1.464) 3.309 7.926 ( -12.398 2.312 -5.033) 13.579 8.519 ( -5.734 8.531 2.123) 10.496 8.826 ( 15.704 -4.929 4.951) 17.188 9.088 ( -10.625 -0.577 4.526) 11.563 17.286 ( -0.891 0.187 2.372) 2.540 17.308 ( 1.438 2.263 -0.851) 2.813 17.714 ( 0.331 0.326 -0.442) 0.641 17.800 ( -0.467 -2.124 -1.002) 2.394 18.541 ( 1.328 -0.567 -1.714) 2.241 18.801 ( -0.209 0.491 -6.570) 6.592 ======================= Grid point 141 (63/226) ======================= q-point: (-0.36 0.09 0.09) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.523 ( -4.460 -14.534 -12.697) 19.808 1.865 ( -4.456 3.628 -2.821) 6.401 1.999 ( 3.059 2.005 -8.064) 8.855 2.350 ( 3.827 3.323 1.620) 5.321 2.524 ( -10.902 -7.177 11.478) 17.381 2.794 ( 6.361 10.331 6.065) 13.563 4.514 ( 9.772 -1.628 12.259) 15.761 4.951 ( 1.966 4.716 3.320) 6.093 5.493 ( -0.431 3.355 -2.565) 4.245 6.553 ( -0.917 -1.606 2.011) 2.732 6.933 ( -2.117 0.243 -2.147) 3.025 7.266 ( -1.222 -18.281 -17.052) 25.029 7.617 ( -5.845 0.136 -6.783) 8.955 7.763 ( -0.917 2.438 -7.740) 8.166 7.917 ( 10.037 5.451 -4.650) 12.332 8.478 ( -13.475 9.468 5.500) 17.363 8.900 ( -7.073 0.680 7.502) 10.333 9.142 ( 15.188 -4.541 4.420) 16.457 17.272 ( -1.648 -0.754 1.516) 2.363 17.313 ( -1.813 -0.007 -0.500) 1.881 17.716 ( 1.041 -0.569 -1.203) 1.690 17.792 ( 1.032 0.182 -0.587) 1.201 18.556 ( 1.506 -0.020 -0.965) 1.789 18.782 ( 1.676 1.834 -7.227) 7.642 ======================= Grid point 142 (64/226) ======================= q-point: (-0.27 0.09 0.09) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( -5.158 -19.874 -13.601) 24.628 1.602 ( -19.744 5.310 -15.800) 25.839 2.015 ( -9.415 -9.004 9.395) 16.062 2.323 ( 3.868 -1.324 6.268) 7.483 2.592 ( 6.279 6.544 1.241) 9.154 3.147 ( 16.930 13.032 4.806) 21.899 4.785 ( 13.626 -1.622 12.610) 18.636 5.103 ( 3.483 9.603 6.423) 12.067 5.526 ( 1.256 4.359 -1.007) 4.646 6.518 ( -2.068 -2.177 1.142) 3.213 6.837 ( -5.083 -2.422 -11.473) 12.780 6.954 ( -3.474 -13.624 -9.875) 17.181 7.391 ( -8.665 -3.964 -12.612) 15.807 7.712 ( -3.998 0.829 -2.173) 4.625 8.164 ( 13.166 3.804 -6.452) 15.147 8.284 ( -16.562 -0.838 9.659) 19.191 8.902 ( -3.440 7.516 7.227) 10.980 9.369 ( 12.776 -2.298 0.234) 12.983 17.233 ( -1.980 -2.831 1.094) 3.624 17.260 ( -3.374 0.237 0.233) 3.390 17.732 ( 1.864 0.182 -1.738) 2.555 17.811 ( 0.843 0.239 -0.389) 0.959 18.569 ( 0.637 -0.107 -1.081) 1.259 18.809 ( 3.419 2.746 -5.551) 7.074 ======================= Grid point 143 (65/226) ======================= q-point: (-0.18 0.09 0.09) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.812 ( -4.889 -21.426 -8.961) 23.733 1.168 ( -24.536 6.311 -17.465) 30.771 1.668 ( -20.012 -16.480 13.825) 29.380 2.546 ( 12.053 4.086 2.971) 13.069 2.754 ( 4.972 5.121 0.630) 7.165 3.657 ( 23.028 14.569 1.230) 27.278 5.078 ( 14.204 -2.374 9.703) 17.364 5.321 ( 2.958 12.029 9.447) 15.579 5.614 ( 3.041 5.210 1.947) 6.339 6.444 ( -1.122 -6.650 -5.505) 8.706 6.572 ( -7.287 -2.791 -16.088) 17.880 6.783 ( -4.834 -5.086 -2.213) 7.358 7.115 ( -8.043 -5.957 -13.090) 16.478 7.626 ( -6.465 1.441 0.772) 6.669 7.942 ( -18.286 -11.908 12.923) 25.361 8.450 ( 13.448 4.995 -3.337) 14.729 8.976 ( -1.264 6.273 5.196) 8.243 9.531 ( 8.418 1.163 -5.237) 9.982 17.168 ( -2.710 -2.427 1.171) 3.822 17.223 ( -1.782 0.148 1.012) 2.055 17.752 ( 1.180 0.660 -2.292) 2.662 17.814 ( -0.061 -0.573 -0.255) 0.630 18.562 ( -0.322 -0.355 -1.193) 1.286 18.879 ( 4.213 2.657 -2.436) 5.545 ======================= Grid point 144 (66/226) ======================= q-point: (-0.09 0.09 0.09) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.514 ( -4.069 -17.459 2.873) 18.156 0.696 ( -26.195 7.628 -13.544) 30.460 1.220 ( -21.732 -18.345 15.000) 32.152 2.789 ( 9.092 3.921 0.924) 9.945 2.873 ( 4.469 2.449 -0.489) 5.119 4.202 ( 23.418 14.540 -4.314) 27.900 5.336 ( 13.265 -3.937 7.286) 15.638 5.522 ( 0.441 7.899 8.604) 11.688 5.744 ( 3.482 6.115 1.112) 7.125 6.247 ( -2.368 -2.721 -20.060) 20.381 6.451 ( -3.930 3.323 1.490) 5.358 6.625 ( -4.986 -6.147 -2.993) 8.462 6.850 ( -7.650 -5.900 -8.731) 13.022 7.511 ( -15.224 -5.084 15.238) 22.132 7.609 ( -8.380 -9.250 2.504) 12.730 8.700 ( 11.008 2.304 4.662) 12.174 9.031 ( 0.483 1.368 1.838) 2.342 9.618 ( 4.240 5.326 -11.417) 13.293 17.116 ( -2.306 -1.029 1.488) 2.931 17.210 ( -0.695 -0.166 1.089) 1.303 17.750 ( -0.198 1.138 -4.148) 4.306 17.799 ( -0.581 -1.273 0.576) 1.513 18.543 ( -0.684 -0.431 -0.461) 0.930 18.972 ( 4.173 1.801 2.383) 5.132 ======================= Grid point 147 (67/226) ======================= q-point: ( 0.18 0.18 0.09) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.590 ( 3.695 -4.220 20.442) 21.198 0.841 ( 6.190 1.927 23.437) 24.318 1.191 ( -5.370 21.491 24.280) 32.867 2.775 ( -0.948 -3.790 -9.810) 10.559 2.873 ( -0.855 -0.407 -6.684) 6.750 4.326 ( 0.995 -14.727 -20.673) 25.402 5.232 ( -4.136 2.416 -16.695) 17.368 5.503 ( 1.671 8.697 -7.967) 11.912 5.692 ( -0.737 -6.455 -7.931) 10.252 6.377 ( 10.275 -7.535 7.736) 14.906 6.488 ( -9.644 -1.177 5.348) 11.090 6.700 ( -3.347 -4.836 10.588) 12.111 6.768 ( 10.032 -2.438 14.238) 17.587 7.401 ( -5.028 24.338 12.904) 28.002 7.604 ( -0.076 2.740 3.752) 4.647 8.925 ( -7.624 -0.643 -9.433) 12.146 9.033 ( 1.850 1.015 -0.471) 2.162 9.587 ( 5.454 -17.447 -1.901) 18.379 17.110 ( 3.614 1.866 1.079) 4.208 17.153 ( -2.880 4.377 0.908) 5.318 17.704 ( 1.376 -4.169 -0.740) 4.452 17.789 ( -1.027 1.305 0.362) 1.700 18.536 ( -0.108 0.232 0.577) 0.632 19.239 ( -0.606 -7.669 2.204) 8.003 ======================= Grid point 148 (68/226) ======================= q-point: ( 0.27 0.18 0.09) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.846 ( 12.744 4.104 9.049) 16.160 1.181 ( 14.842 -0.699 21.522) 26.153 1.493 ( -2.543 23.068 23.033) 32.697 2.596 ( -6.213 -4.768 -10.692) 13.254 2.769 ( -3.620 -5.172 -6.028) 8.729 4.011 ( -7.254 -12.969 -16.450) 22.168 4.980 ( -12.098 1.907 -14.186) 18.741 5.496 ( -6.901 -8.527 -2.629) 11.281 5.647 ( 6.561 3.419 -6.864) 10.092 6.365 ( -5.069 3.465 -0.598) 6.169 6.502 ( 7.069 -3.955 3.405) 8.787 6.765 ( 2.948 3.538 3.582) 5.834 7.081 ( 21.337 -11.662 19.443) 31.134 7.568 ( -0.846 9.808 5.513) 11.283 7.709 ( -4.068 15.904 9.404) 18.919 8.634 ( -7.294 -11.917 -10.559) 17.514 9.079 ( -0.840 -2.829 7.257) 7.835 9.512 ( 1.590 -2.542 -10.095) 10.531 17.159 ( -1.902 4.028 1.574) 4.725 17.199 ( 3.096 1.236 1.467) 3.642 17.705 ( 4.147 -3.633 -1.899) 5.831 17.774 ( -2.120 1.489 -0.287) 2.606 18.537 ( 0.115 -0.454 -0.236) 0.525 19.124 ( -4.039 -8.214 1.576) 9.288 ======================= Grid point 149 (69/226) ======================= q-point: ( 0.36 0.18 0.09) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( 13.390 6.984 1.012) 15.136 1.553 ( 15.407 -2.697 15.261) 21.852 1.813 ( -1.475 19.388 18.301) 26.702 2.378 ( -5.950 -3.736 -7.588) 10.341 2.599 ( -3.725 -7.528 -3.780) 9.210 3.636 ( -13.976 -8.520 -9.975) 19.169 4.726 ( -9.673 1.569 -11.734) 15.288 5.261 ( -8.533 -8.640 -0.688) 12.163 5.673 ( -1.609 -3.375 2.343) 4.412 6.395 ( 3.643 6.796 -5.255) 9.331 6.625 ( 9.968 1.159 -5.113) 11.263 6.861 ( 2.103 3.256 2.108) 4.413 7.450 ( 20.113 -11.855 15.207) 27.862 7.701 ( 6.880 3.106 6.208) 9.773 7.817 ( -6.172 11.613 3.051) 13.501 8.369 ( -2.736 -10.860 -6.437) 12.918 9.019 ( -7.594 -3.146 8.111) 11.548 9.462 ( -1.023 4.586 -12.034) 12.918 17.188 ( -0.320 3.855 1.368) 4.103 17.258 ( 1.552 0.041 3.014) 3.391 17.739 ( 5.065 -3.618 -2.735) 6.799 17.750 ( -2.014 1.756 -0.875) 2.811 18.525 ( 0.161 -1.213 -1.707) 2.100 18.975 ( -3.820 -7.944 -0.980) 8.869 ======================= Grid point 150 (70/226) ======================= q-point: ( 0.45 0.18 0.09) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( 12.085 7.157 -3.665) 14.515 1.766 ( 6.161 -5.288 2.564) 8.514 1.935 ( -3.660 -2.267 0.716) 4.364 2.317 ( -0.185 6.534 4.291) 7.819 2.535 ( 1.518 0.347 6.914) 7.087 3.258 ( -16.780 -5.114 -3.222) 17.836 4.542 ( -7.713 2.251 -5.260) 9.603 5.048 ( -6.781 -6.410 1.081) 9.393 5.598 ( -3.430 -4.144 2.471) 5.919 6.501 ( 3.205 4.295 -0.397) 5.374 6.802 ( 13.684 3.681 -14.738) 20.445 6.938 ( 2.747 3.202 1.462) 4.466 7.641 ( 5.902 -8.268 4.230) 11.004 7.723 ( -3.203 -3.802 -9.006) 10.287 8.000 ( 20.996 -6.622 12.842) 25.487 8.262 ( -5.408 3.393 -0.008) 6.385 8.899 ( -9.523 3.231 4.735) 11.114 9.397 ( -4.805 2.952 -6.476) 8.587 17.240 ( 1.230 3.586 0.874) 3.891 17.296 ( 0.703 -0.343 3.611) 3.694 17.727 ( -0.897 0.594 -1.677) 1.992 17.760 ( 3.117 -3.763 -2.225) 5.369 18.502 ( 0.586 -1.521 -2.746) 3.193 18.836 ( -1.932 -6.039 -4.431) 7.735 ======================= Grid point 151 (71/226) ======================= q-point: ( 0.55 0.18 0.09) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.660 ( 5.127 2.087 -5.371) 7.713 1.750 ( -0.156 -9.030 -9.823) 13.344 1.780 ( 4.188 -3.687 0.492) 5.601 2.428 ( -1.249 7.471 1.566) 7.735 2.678 ( 2.844 5.194 9.464) 11.164 2.941 ( -14.378 -4.989 5.707) 16.253 4.448 ( -5.188 2.321 4.737) 7.399 4.945 ( -2.067 0.194 2.001) 2.883 5.526 ( -1.733 -2.675 0.489) 3.225 6.572 ( 0.235 2.866 2.133) 3.580 6.903 ( 5.993 -2.248 -9.793) 11.699 7.072 ( 9.006 2.506 -9.255) 13.155 7.473 ( 2.091 -13.269 -11.494) 17.680 7.741 ( 2.861 -0.258 0.064) 2.874 8.152 ( -11.788 5.398 -3.926) 13.546 8.384 ( 22.561 -8.628 11.576) 26.785 8.851 ( -7.696 11.143 3.965) 14.111 9.271 ( -8.493 -0.919 0.206) 8.545 17.302 ( 1.342 2.431 0.695) 2.863 17.318 ( -0.213 -0.083 2.918) 2.927 17.701 ( 0.408 -2.732 -2.959) 4.048 17.754 ( 1.043 -1.657 -0.709) 2.082 18.491 ( 1.693 -0.927 -2.708) 3.326 18.742 ( 0.559 -3.100 -7.376) 8.020 ======================= Grid point 152 (72/226) ======================= q-point: (-0.36 0.18 0.09) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.416 ( -7.631 -13.940 -8.688) 18.112 1.820 ( 7.707 1.921 -3.423) 8.649 1.925 ( 7.736 3.378 -3.341) 9.079 2.394 ( -6.157 5.676 -5.709) 10.135 2.706 ( -9.101 -6.528 7.150) 13.287 2.842 ( 1.385 2.610 11.749) 12.114 4.486 ( 1.787 1.634 11.198) 11.457 5.007 ( 1.634 7.992 4.305) 9.223 5.502 ( 0.359 0.255 0.565) 0.716 6.591 ( -2.084 1.639 1.337) 2.969 6.847 ( 3.858 -12.683 -16.279) 20.994 7.031 ( -1.777 -6.907 -3.561) 7.972 7.509 ( 12.582 2.437 -11.486) 17.210 7.760 ( -0.176 1.058 -5.281) 5.389 7.945 ( -11.066 3.695 -6.201) 13.212 8.729 ( 18.118 -7.064 8.712) 21.309 8.844 ( -9.403 9.259 0.744) 13.217 9.131 ( -6.835 -0.902 8.111) 10.645 17.304 ( -1.744 -1.804 2.938) 3.863 17.340 ( -0.641 1.794 -0.276) 1.925 17.664 ( 1.851 -2.808 -3.943) 5.183 17.765 ( 1.243 -0.121 0.447) 1.327 18.508 ( 2.499 -0.162 -2.257) 3.371 18.704 ( 2.650 -0.256 -8.263) 8.681 ======================= Grid point 153 (73/226) ======================= q-point: (-0.27 0.18 0.09) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( -9.650 -12.659 -6.140) 17.060 1.873 ( -13.458 6.347 -11.848) 19.020 1.987 ( 8.793 1.860 -1.800) 9.166 2.376 ( -2.646 -5.408 7.154) 9.350 2.546 ( -1.678 -1.693 4.978) 5.519 3.023 ( 11.219 3.457 5.006) 12.763 4.665 ( 8.283 1.435 11.205) 14.008 5.177 ( 3.807 9.296 4.637) 11.064 5.564 ( 1.224 6.205 5.347) 8.282 6.497 ( -1.368 -12.278 -12.913) 17.871 6.658 ( -0.277 -7.117 -6.824) 9.864 6.945 ( -3.511 -1.663 0.481) 3.915 7.509 ( -10.302 1.633 -12.069) 15.952 7.727 ( 1.081 2.559 -6.278) 6.865 7.927 ( 9.836 4.107 -7.534) 13.053 8.634 ( -18.168 -0.965 4.734) 18.799 8.965 ( 10.164 -5.020 0.576) 11.351 9.190 ( 3.903 4.281 10.753) 12.214 17.257 ( -2.739 -2.610 2.066) 4.311 17.318 ( -2.665 0.286 0.189) 2.687 17.673 ( 3.305 0.100 -3.977) 5.172 17.791 ( 1.234 -0.204 0.623) 1.397 18.535 ( 1.997 0.040 -2.103) 2.901 18.726 ( 4.322 1.939 -6.644) 8.160 ======================= Grid point 154 (74/226) ======================= q-point: (-0.18 0.18 0.09) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.791 ( -10.861 -6.391 2.851) 12.921 1.543 ( -21.645 8.014 -14.845) 27.442 1.923 ( -15.542 -13.079 12.376) 23.786 2.395 ( 9.656 2.055 2.793) 10.259 2.653 ( 8.093 0.104 -2.964) 8.620 3.379 ( 21.702 4.853 2.843) 22.419 4.903 ( 10.731 0.611 7.379) 13.037 5.358 ( 6.446 4.651 2.633) 8.373 5.709 ( -0.150 8.169 8.195) 11.572 6.242 ( 1.142 -12.702 -14.784) 19.524 6.588 ( -3.195 -0.294 0.530) 3.252 6.858 ( -5.832 -0.442 -0.103) 5.850 7.225 ( -13.893 3.700 -14.916) 20.717 7.698 ( -2.688 -0.257 -0.834) 2.826 8.125 ( 7.071 -0.909 -3.915) 8.133 8.331 ( -11.423 -2.019 3.680) 12.170 9.026 ( 2.825 -2.703 -1.545) 4.204 9.397 ( 7.357 4.266 5.947) 10.377 17.197 ( -2.617 -2.257 1.957) 3.972 17.273 ( -2.640 -0.161 0.473) 2.687 17.714 ( 2.631 1.750 -3.538) 4.744 17.805 ( 0.420 -0.533 0.367) 0.771 18.548 ( 0.754 0.250 -1.707) 1.882 18.802 ( 5.326 2.522 -3.574) 6.892 ======================= Grid point 155 (75/226) ======================= q-point: (-0.09 0.18 0.09) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.665 ( -9.868 6.030 16.524) 20.169 1.145 ( -24.227 9.379 -11.659) 28.475 1.524 ( -22.065 -16.388 16.627) 32.123 2.635 ( 12.079 2.910 -0.409) 12.432 2.748 ( 7.606 -2.680 -5.484) 9.752 3.848 ( 25.538 4.744 -2.138) 26.063 5.122 ( 11.315 -1.699 2.827) 11.786 5.491 ( 4.476 -3.925 -1.196) 6.072 5.710 ( 3.259 -6.594 -7.030) 10.175 6.255 ( 1.098 12.608 8.262) 15.114 6.548 ( -2.927 1.854 4.412) 5.610 6.726 ( -9.763 2.424 -3.085) 10.522 6.952 ( -11.930 4.517 -12.963) 18.187 7.632 ( -3.794 -1.907 0.629) 4.293 7.854 ( -20.004 -11.820 10.573) 25.528 8.484 ( 15.217 2.972 -3.108) 15.813 9.008 ( 1.114 -4.327 -3.004) 5.384 9.575 ( 4.472 7.087 -0.132) 8.381 17.153 ( -2.049 -1.232 2.379) 3.373 17.233 ( -1.754 -0.858 0.325) 1.980 17.743 ( 0.596 2.835 -3.785) 4.767 17.800 ( -0.340 -0.916 0.315) 1.026 18.547 ( -0.241 0.409 -0.837) 0.963 18.910 ( 5.819 1.742 0.724) 6.117 ======================= Grid point 158 (76/226) ======================= q-point: ( 0.18 0.27 0.09) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.720 ( -10.421 -6.628 20.226) 23.698 0.981 ( -5.001 0.565 17.907) 18.601 1.645 ( -5.446 21.839 20.236) 30.267 2.631 ( 5.400 -3.622 -8.567) 10.755 2.836 ( 0.782 -0.163 -6.548) 6.597 3.949 ( 9.475 -16.602 -17.605) 25.988 5.043 ( 11.961 4.314 -18.570) 22.506 5.545 ( 3.747 -5.768 -5.169) 8.604 5.650 ( -4.562 3.745 -1.938) 6.213 6.209 ( 1.479 -4.918 3.263) 6.084 6.664 ( -6.395 3.066 1.613) 7.273 6.715 ( -0.586 -0.866 7.334) 7.408 6.890 ( -11.635 -8.364 15.466) 21.085 7.577 ( -1.450 2.060 0.289) 2.535 7.873 ( -3.420 23.548 16.029) 28.691 8.891 ( 6.668 5.458 -9.156) 12.574 9.088 ( -11.565 -6.006 -8.553) 15.587 9.240 ( 12.171 -17.804 2.474) 21.708 17.091 ( 1.096 1.397 0.813) 1.953 17.234 ( -1.407 2.146 1.950) 3.223 17.652 ( -1.021 -3.917 -1.393) 4.281 17.821 ( -0.910 1.836 0.058) 2.050 18.544 ( -0.398 -0.118 0.040) 0.417 19.146 ( 3.514 -7.164 1.068) 8.050 ======================= Grid point 159 (77/226) ======================= q-point: ( 0.27 0.27 0.09) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.760 ( 5.785 -1.442 15.785) 16.873 1.118 ( 6.509 -1.138 20.069) 21.129 1.907 ( -3.540 21.363 17.972) 28.141 2.564 ( -2.171 -4.200 -8.379) 9.621 2.751 ( -3.695 -3.210 -7.062) 8.592 3.807 ( 3.560 -13.093 -13.935) 19.450 5.081 ( -1.869 4.067 -18.376) 18.913 5.471 ( -3.282 -5.516 -7.511) 9.880 5.554 ( -0.491 7.214 -10.566) 12.803 6.339 ( 11.059 -9.500 12.790) 19.395 6.538 ( -10.487 -1.449 6.548) 12.448 6.730 ( 3.650 -4.229 9.581) 11.091 6.900 ( 3.764 0.252 9.093) 9.845 7.594 ( 1.065 1.914 0.471) 2.240 8.101 ( -6.917 20.929 11.789) 24.997 8.571 ( -10.781 -18.631 -16.629) 27.201 9.055 ( 5.191 0.871 0.879) 5.337 9.355 ( 7.041 -3.606 0.391) 7.920 17.160 ( 3.657 1.887 0.551) 4.152 17.241 ( -1.774 2.688 1.452) 3.533 17.601 ( 1.210 -4.204 -1.734) 4.706 17.813 ( -1.399 0.686 -0.110) 1.562 18.531 ( -0.374 -1.073 -0.272) 1.168 19.078 ( -0.986 -10.593 -0.261) 10.642 ======================= Grid point 160 (78/226) ======================= q-point: ( 0.36 0.27 0.09) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.007 ( 12.191 2.671 6.635) 14.134 1.385 ( 11.997 -3.035 16.912) 20.956 2.085 ( -4.501 6.274 4.139) 8.760 2.455 ( -5.249 6.442 0.461) 8.322 2.586 ( -4.275 -4.992 -3.294) 7.351 3.651 ( -3.255 -6.115 -7.261) 10.035 4.880 ( -11.976 5.163 -13.458) 18.740 5.278 ( -5.275 -6.243 -7.256) 10.929 5.618 ( 4.744 0.475 -4.940) 6.866 6.406 ( -1.734 -0.498 1.199) 2.167 6.497 ( 4.437 -1.014 4.271) 6.241 6.854 ( 4.785 0.729 3.807) 6.158 7.091 ( 15.419 -9.966 16.607) 24.755 7.656 ( 3.360 1.770 0.762) 3.874 7.986 ( -11.595 -11.078 -12.668) 20.437 8.373 ( -1.887 7.879 5.474) 9.777 9.115 ( -0.678 -1.636 6.285) 6.530 9.410 ( 2.859 2.685 -7.447) 8.417 17.236 ( 2.592 0.516 1.385) 2.984 17.251 ( -1.085 3.121 1.685) 3.709 17.592 ( 4.162 -4.329 -3.027) 6.725 17.789 ( -1.625 0.577 -0.557) 1.812 18.505 ( -0.526 -1.695 -1.364) 2.239 18.922 ( -2.555 -12.004 -1.762) 12.399 ======================= Grid point 161 (79/226) ======================= q-point: ( 0.45 0.27 0.09) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( 12.312 3.455 0.621) 12.803 1.612 ( 8.634 -5.373 7.007) 12.350 1.932 ( -6.573 -8.725 -6.687) 12.808 2.403 ( -2.274 -0.121 1.153) 2.552 2.637 ( 0.005 10.161 8.148) 13.024 3.467 ( -12.290 0.320 -0.582) 12.308 4.690 ( -8.612 6.883 -6.642) 12.871 5.094 ( -5.276 -5.230 -2.651) 7.888 5.611 ( -1.436 -5.479 2.429) 6.163 6.452 ( 6.173 6.522 -9.309) 12.934 6.595 ( 5.454 0.039 -0.365) 5.466 6.934 ( 2.112 1.688 0.967) 2.872 7.365 ( 15.085 -16.853 12.961) 26.068 7.616 ( -1.690 -13.926 -12.215) 18.601 7.764 ( 6.992 0.049 2.226) 7.338 8.444 ( -5.411 9.852 2.359) 11.485 9.098 ( -5.191 1.762 8.124) 9.801 9.416 ( -0.155 2.979 -7.891) 8.436 17.273 ( 0.323 1.788 2.213) 2.863 17.293 ( 1.126 0.916 2.277) 2.701 17.603 ( 4.691 -5.336 -4.261) 8.284 17.767 ( -1.311 1.038 -0.522) 1.752 18.467 ( -0.309 -1.808 -2.384) 3.008 18.754 ( -1.264 -10.660 -4.101) 11.491 ======================= Grid point 162 (80/226) ======================= q-point: ( 0.55 0.27 0.09) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( 11.483 2.781 -2.766) 12.135 1.646 ( -0.652 -10.992 -2.193) 11.228 1.690 ( -2.379 -5.011 -5.040) 7.495 2.465 ( 3.707 1.834 5.166) 6.618 2.739 ( 0.136 3.134 1.206) 3.360 3.234 ( -17.248 2.573 4.556) 18.024 4.628 ( -6.805 5.990 4.229) 10.004 5.005 ( -1.670 2.741 1.709) 3.637 5.531 ( -2.443 -5.335 3.757) 6.967 6.579 ( 7.918 3.800 -11.018) 14.090 6.650 ( 2.722 -1.404 -5.903) 6.651 6.999 ( 3.891 2.233 -1.110) 4.622 7.221 ( 0.713 -16.712 -10.081) 19.530 7.661 ( 7.235 -3.114 2.773) 8.351 7.981 ( 18.906 -8.081 8.748) 22.344 8.377 ( -10.643 5.904 -4.541) 12.990 9.106 ( -5.311 8.247 7.625) 12.425 9.357 ( -4.026 -0.548 -3.625) 5.445 17.314 ( 1.009 -0.645 3.811) 3.994 17.333 ( 0.420 2.916 0.997) 3.111 17.584 ( 3.262 -6.444 -4.908) 8.732 17.760 ( -0.788 1.140 0.114) 1.390 18.440 ( 1.009 -1.271 -2.518) 2.995 18.633 ( 1.281 -6.643 -6.554) 9.419 ======================= Grid point 163 (81/226) ======================= q-point: (-0.36 0.27 0.09) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.397 ( -8.001 -9.256 -4.373) 12.993 1.669 ( 8.209 2.399 -7.513) 11.384 1.764 ( 10.768 -1.469 3.919) 11.553 2.520 ( -3.670 4.222 -3.010) 6.352 2.732 ( 0.199 -2.862 -2.645) 3.902 3.018 ( -12.657 -2.036 10.633) 16.655 4.606 ( -4.644 2.120 10.741) 11.892 5.099 ( 0.905 8.956 3.823) 9.780 5.517 ( 0.760 2.152 6.114) 6.526 6.488 ( 2.262 -16.286 -21.260) 26.876 6.682 ( -0.686 4.903 1.879) 5.295 7.021 ( -1.308 -3.181 0.935) 3.564 7.209 ( 14.473 2.119 -13.887) 20.169 7.727 ( 2.240 -0.335 -1.002) 2.477 8.168 ( -13.993 4.689 -8.280) 16.922 8.308 ( 22.418 -11.257 9.051) 26.668 9.125 ( -9.208 8.235 0.843) 12.382 9.255 ( -3.667 -1.878 5.963) 7.248 17.326 ( -0.546 -2.641 4.191) 4.984 17.373 ( -0.649 3.325 -0.150) 3.391 17.547 ( 3.607 -4.719 -5.084) 7.818 17.763 ( -0.084 0.691 0.632) 0.940 18.448 ( 2.479 -0.208 -2.243) 3.349 18.589 ( 3.559 -1.936 -7.166) 8.232 ======================= Grid point 164 (82/226) ======================= q-point: (-0.27 0.27 0.09) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( -9.762 -3.607 0.775) 10.436 1.813 ( 10.530 3.541 -6.739) 12.994 1.953 ( 5.706 1.373 0.005) 5.869 2.409 ( -7.041 3.570 -6.177) 10.024 2.665 ( -5.339 -5.413 5.867) 9.603 2.911 ( 0.866 -6.737 6.252) 9.232 4.673 ( 1.481 2.690 11.602) 12.002 5.192 ( 2.634 2.301 -0.025) 3.498 5.681 ( 1.909 10.388 9.747) 14.372 6.208 ( 0.686 -15.307 -17.159) 23.004 6.702 ( -3.157 4.056 1.187) 5.275 6.978 ( -1.594 -2.044 1.230) 2.869 7.419 ( 13.280 3.676 -13.247) 19.114 7.721 ( -1.729 3.600 -7.635) 8.616 7.938 ( -10.071 3.777 -6.131) 12.380 8.602 ( 18.820 -11.990 4.633) 22.791 8.933 ( -14.482 -1.645 2.345) 14.763 9.301 ( -0.366 5.074 7.695) 9.225 17.296 ( -2.484 -2.559 3.220) 4.804 17.356 ( -2.103 -0.386 -0.845) 2.299 17.576 ( 4.957 0.805 -4.407) 6.682 17.778 ( 0.729 0.097 0.745) 1.047 18.485 ( 2.616 0.838 -1.847) 3.310 18.623 ( 5.026 1.463 -5.664) 7.713 ======================= Grid point 165 (83/226) ======================= q-point: (-0.18 0.27 0.09) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( -10.171 5.608 9.646) 15.098 1.857 ( -13.604 6.547 -10.905) 18.624 1.984 ( 4.454 0.245 -2.553) 5.139 2.353 ( -0.122 -4.601 5.946) 7.519 2.536 ( -2.982 -4.716 2.750) 6.221 3.054 ( 18.084 -4.027 3.054) 18.777 4.823 ( 5.254 2.220 6.975) 9.010 5.275 ( 6.099 -0.209 0.482) 6.121 5.669 ( 0.354 -14.732 -14.321) 20.549 6.206 ( 1.477 14.503 11.722) 18.706 6.678 ( -4.336 3.480 1.563) 5.775 6.933 ( -3.032 -0.757 1.273) 3.375 7.410 ( -9.494 5.771 -14.903) 18.589 7.720 ( 0.568 3.739 -4.379) 5.786 7.905 ( 7.969 3.077 -7.640) 11.460 8.574 ( -12.803 -9.047 1.483) 15.747 8.839 ( 7.437 -7.060 3.729) 10.911 9.418 ( 2.988 5.028 6.520) 8.759 17.242 ( -3.088 -1.487 2.477) 4.229 17.304 ( -2.028 -1.242 -0.961) 2.565 17.655 ( 4.302 3.104 -3.308) 6.252 17.793 ( 0.701 -0.435 0.321) 0.886 18.524 ( 1.641 1.323 -1.507) 2.591 18.711 ( 5.657 2.939 -3.230) 7.147 ======================= Grid point 166 (84/226) ======================= q-point: (-0.09 0.27 0.09) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( -8.758 14.526 17.197) 24.154 1.553 ( -20.579 8.785 -10.818) 24.854 1.829 ( -17.114 -12.241 13.845) 25.187 2.457 ( 10.118 2.808 -0.812) 10.532 2.525 ( 7.361 -5.990 -6.707) 11.621 3.417 ( 24.493 -3.451 1.626) 24.788 4.960 ( 6.868 -0.793 -0.327) 6.921 5.303 ( 3.325 -14.596 -9.063) 17.500 5.517 ( 6.562 -2.263 -4.187) 8.106 6.432 ( -1.602 8.019 7.969) 11.418 6.713 ( -1.941 11.589 13.319) 17.761 6.871 ( -5.562 1.253 1.308) 5.850 7.183 ( -13.852 13.457 -16.695) 25.528 7.691 ( -4.022 -1.215 2.596) 4.939 8.018 ( -0.605 -4.936 -4.291) 6.568 8.318 ( -1.558 -0.923 -0.412) 1.857 8.886 ( 4.526 -7.009 0.701) 8.373 9.563 ( 4.745 3.475 2.426) 6.362 17.199 ( -2.594 -0.304 2.461) 3.588 17.253 ( -1.921 -1.336 -0.590) 2.413 17.732 ( 2.463 3.853 -2.411) 5.169 17.793 ( 0.033 -0.976 -0.420) 1.063 18.546 ( 0.550 1.125 -1.370) 1.856 18.829 ( 5.917 2.691 -0.325) 6.508 ======================= Grid point 169 (85/226) ======================= q-point: ( 0.18 0.36 0.09) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( -16.825 -4.488 12.649) 21.523 1.221 ( -12.274 -2.296 13.850) 18.648 1.999 ( -0.333 14.490 9.780) 17.485 2.478 ( 4.761 1.649 -0.885) 5.116 2.758 ( 4.105 1.052 -5.919) 7.279 3.497 ( 12.889 -14.859 -12.264) 23.181 4.763 ( 11.604 2.062 -13.828) 18.169 5.363 ( 8.961 -3.185 -1.964) 9.711 5.620 ( 5.192 -8.152 7.192) 12.047 6.325 ( -12.478 6.784 -9.108) 16.872 6.781 ( -2.391 4.732 1.511) 5.513 6.803 ( -5.505 2.533 -1.007) 6.143 7.128 ( -15.771 -12.317 16.762) 26.104 7.627 ( -2.724 1.015 -0.196) 2.914 8.252 ( -3.254 20.493 14.015) 25.039 8.739 ( 11.982 5.771 -7.869) 15.453 8.837 ( 4.183 -21.771 -11.296) 24.882 9.181 ( -3.533 -2.247 1.688) 4.514 17.112 ( -1.699 0.829 0.583) 1.978 17.271 ( -0.268 -0.048 2.678) 2.692 17.641 ( -2.220 -2.295 -1.699) 3.617 17.856 ( -1.011 1.652 -0.260) 1.954 18.545 ( -0.367 -0.237 -1.297) 1.368 19.001 ( 4.608 -6.999 -1.530) 8.519 ======================= Grid point 170 (86/226) ======================= q-point: ( 0.27 0.36 0.09) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.851 ( -6.958 -3.761 17.532) 19.233 1.172 ( -1.673 -2.275 15.716) 15.968 2.166 ( 0.869 6.995 2.653) 7.532 2.546 ( -0.084 4.553 2.488) 5.190 2.735 ( -2.078 -1.572 -6.591) 7.087 3.507 ( 9.670 -7.730 -8.098) 14.793 4.897 ( 10.537 4.205 -17.428) 20.795 5.385 ( 2.434 -3.652 -5.232) 6.829 5.660 ( -3.684 0.651 -3.796) 5.329 6.178 ( 0.632 -3.403 4.237) 5.471 6.737 ( -5.433 1.515 2.388) 6.125 6.759 ( -7.039 -5.719 11.746) 14.840 6.948 ( -3.250 -1.773 8.259) 9.051 7.609 ( -0.713 1.506 0.249) 1.685 8.372 ( -3.552 -23.088 -15.057) 27.792 8.480 ( -8.773 13.555 5.103) 16.934 8.941 ( 9.289 3.657 -3.678) 10.639 9.259 ( 4.799 0.960 5.974) 7.723 17.129 ( 1.846 1.686 -0.014) 2.500 17.279 ( -0.189 -0.343 1.946) 1.985 17.571 ( -2.152 -2.048 -1.509) 3.333 17.842 ( -1.561 0.400 -0.333) 1.645 18.522 ( -0.427 -1.544 -0.954) 1.865 18.951 ( 1.591 -11.670 -2.456) 12.031 ======================= Grid point 171 (87/226) ======================= q-point: ( 0.36 0.36 0.09) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.921 ( 5.054 -0.197 12.616) 13.593 1.292 ( 6.597 -3.732 15.780) 17.506 2.134 ( -3.400 -5.799 -6.181) 9.132 2.587 ( -5.258 -4.445 -6.038) 9.157 2.644 ( -0.749 9.640 5.109) 10.936 3.589 ( 4.668 3.434 0.443) 5.812 4.955 ( 1.659 4.207 -13.422) 14.163 5.298 ( -7.464 -0.104 -10.876) 13.192 5.528 ( -0.879 3.421 -10.348) 10.934 6.299 ( 10.358 -12.383 15.015) 22.047 6.589 ( -9.489 -2.182 7.452) 12.261 6.768 ( 4.047 -2.790 7.503) 8.970 6.990 ( 2.214 -0.260 5.341) 5.788 7.631 ( 1.142 0.600 -0.185) 1.303 7.864 ( -7.909 -23.585 -18.464) 30.980 8.592 ( -4.245 12.564 6.917) 14.957 9.088 ( 5.697 2.112 0.236) 6.081 9.364 ( 2.644 2.462 0.676) 3.675 17.193 ( 3.420 1.147 -0.144) 3.610 17.288 ( 0.454 0.102 1.526) 1.596 17.514 ( -0.952 -1.780 -1.533) 2.535 17.812 ( -1.429 -0.205 -0.589) 1.559 18.489 ( -0.577 -2.100 -1.117) 2.448 18.804 ( -0.900 -14.562 -3.049) 14.905 ======================= Grid point 172 (88/226) ======================= q-point: ( 0.45 0.36 0.09) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( 9.773 0.362 5.934) 11.439 1.462 ( 7.776 -5.781 9.131) 13.314 1.923 ( -6.718 -8.460 -6.569) 12.644 2.432 ( -3.448 -2.817 -1.375) 4.660 2.738 ( 0.568 4.013 0.079) 4.054 3.691 ( -5.368 10.426 5.341) 12.886 4.884 ( -8.393 9.266 -6.581) 14.129 5.099 ( -4.258 -1.504 -7.596) 8.837 5.551 ( 3.824 -0.541 -4.890) 6.232 6.366 ( 2.293 -7.887 5.086) 9.661 6.548 ( 1.971 0.722 3.224) 3.847 6.876 ( 5.441 -3.319 2.065) 6.700 7.091 ( 8.255 -7.573 11.312) 15.921 7.407 ( -3.086 -18.657 -14.032) 23.548 7.704 ( 2.607 1.234 -0.452) 2.920 8.640 ( -5.360 7.989 1.291) 9.707 9.184 ( 2.020 1.178 4.886) 5.417 9.408 ( -0.150 4.108 -3.781) 5.585 17.252 ( 2.542 -0.876 1.877) 3.279 17.321 ( 1.406 1.636 0.786) 2.296 17.482 ( 0.568 -2.043 -2.304) 3.131 17.788 ( -0.783 0.162 -0.554) 0.973 18.446 ( -0.937 -2.070 -1.880) 2.949 18.622 ( -0.515 -13.891 -3.439) 14.320 ======================= Grid point 173 (89/226) ======================= q-point: ( 0.55 0.36 0.09) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( 10.703 -1.036 1.625) 10.875 1.516 ( 3.384 -7.899 0.164) 8.595 1.695 ( -6.705 -5.353 -4.403) 9.643 2.440 ( 3.605 0.350 5.078) 6.237 2.738 ( -0.360 -1.108 -4.029) 4.195 3.607 ( -17.007 7.267 1.423) 18.549 4.819 ( -6.376 5.493 -0.075) 8.416 5.083 ( 0.354 8.217 3.881) 9.094 5.547 ( -0.846 -2.757 3.425) 4.478 6.345 ( 4.237 -5.456 -12.391) 14.186 6.638 ( 3.805 1.636 2.885) 5.047 6.871 ( 4.270 -6.789 -8.903) 11.983 7.075 ( -1.736 -7.219 0.011) 7.425 7.409 ( 16.619 -9.749 9.692) 21.568 7.773 ( 5.174 -0.870 0.701) 5.293 8.574 ( -8.883 5.246 -4.276) 11.167 9.253 ( 0.402 1.409 6.762) 6.919 9.392 ( -3.173 3.433 -4.592) 6.553 17.292 ( 1.987 -2.418 4.055) 5.122 17.370 ( 1.803 2.264 -0.323) 2.912 17.455 ( 0.381 -2.286 -2.768) 3.610 17.782 ( -0.413 0.740 0.040) 0.848 18.394 ( 0.248 -3.549 -2.747) 4.495 18.500 ( 1.545 -7.162 -3.554) 8.144 ======================= Grid point 174 (90/226) ======================= q-point: ( 0.64 0.36 0.09) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.421 ( -2.206 -4.216 -4.492) 6.544 1.501 ( 7.673 -1.316 1.033) 7.853 1.612 ( 5.074 -2.250 1.008) 5.641 2.545 ( 2.731 0.904 1.842) 3.416 2.677 ( -0.605 -2.709 -4.671) 5.434 3.329 ( -18.984 1.281 0.590) 19.037 4.771 ( -4.736 1.571 6.892) 8.508 5.192 ( -1.996 3.107 4.315) 5.679 5.607 ( 1.563 8.352 10.414) 13.440 6.189 ( 0.750 -11.597 -18.661) 21.984 6.744 ( 2.089 4.941 2.923) 6.109 6.901 ( 11.541 0.275 -12.861) 17.282 7.019 ( -0.576 -2.214 0.651) 2.378 7.635 ( 9.465 -4.170 4.949) 11.466 7.911 ( 15.061 -8.217 6.353) 18.295 8.399 ( -12.626 5.269 -7.706) 15.702 9.289 ( -2.534 -3.626 0.666) 4.473 9.327 ( -4.010 5.576 2.235) 7.223 17.317 ( 1.038 -3.204 4.172) 5.362 17.402 ( 3.051 -5.414 -4.168) 7.483 17.439 ( -1.041 6.032 0.677) 6.158 17.780 ( -0.655 0.231 0.218) 0.728 18.380 ( 3.496 -1.642 -2.327) 4.509 18.479 ( 2.654 -0.983 -3.311) 4.356 ======================= Grid point 175 (91/226) ======================= q-point: (-0.27 0.36 0.09) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( -5.841 1.478 1.705) 6.262 1.631 ( 9.001 3.521 -6.426) 11.606 1.795 ( 12.289 -2.157 6.806) 14.212 2.538 ( -3.610 2.361 -5.461) 6.959 2.616 ( 0.152 -3.203 -3.628) 4.842 3.029 ( -14.949 -6.156 5.874) 17.201 4.792 ( -2.489 2.686 12.432) 12.960 5.157 ( -0.324 -3.340 -0.940) 3.485 5.662 ( -0.123 -12.701 -10.839) 16.698 6.151 ( 1.947 16.451 7.233) 18.076 6.811 ( -2.276 5.705 1.346) 6.288 6.971 ( 0.457 -2.735 0.921) 2.922 7.114 ( 15.416 4.975 -14.102) 21.477 7.713 ( 1.766 0.678 -1.657) 2.515 8.158 ( -0.835 0.773 -5.119) 5.244 8.188 ( 6.733 -7.051 5.504) 11.196 9.129 ( -10.065 -3.454 0.558) 10.656 9.368 ( 0.521 1.903 3.363) 3.899 17.310 ( -0.219 -2.912 1.219) 3.165 17.362 ( -0.257 -3.641 -0.115) 3.652 17.510 ( 2.228 5.637 -1.752) 6.309 17.772 ( 0.109 -0.460 -0.079) 0.479 18.443 ( 3.436 2.152 -0.138) 4.056 18.524 ( 4.600 1.721 -3.313) 5.925 ======================= Grid point 176 (92/226) ======================= q-point: (-0.18 0.36 0.09) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( -4.736 8.533 7.959) 12.593 1.800 ( 10.009 4.104 -6.991) 12.880 1.974 ( 4.242 1.155 -0.905) 4.488 2.394 ( -9.222 2.904 -5.892) 11.322 2.643 ( 1.455 -3.395 4.667) 5.952 2.786 ( -1.902 -12.484 7.244) 14.558 4.855 ( -1.293 1.083 8.685) 8.847 5.153 ( 4.729 -5.354 -2.753) 7.656 5.394 ( 0.477 -14.480 -15.624) 21.307 6.465 ( 0.197 18.753 14.861) 23.928 6.813 ( -3.660 5.645 3.158) 7.432 6.971 ( -0.387 2.157 1.223) 2.510 7.336 ( 12.125 5.436 -14.038) 19.330 7.718 ( -0.100 4.875 -7.057) 8.577 7.963 ( -11.262 6.371 -4.904) 13.837 8.396 ( 13.786 -14.255 5.236) 20.510 8.911 ( -11.181 -4.026 4.281) 12.631 9.423 ( 2.931 0.218 1.888) 3.493 17.278 ( -0.872 -1.714 -0.416) 1.967 17.321 ( -2.027 -1.499 1.402) 2.884 17.602 ( 3.759 5.105 -2.352) 6.762 17.775 ( 0.825 -0.861 -0.154) 1.203 18.507 ( 1.465 2.411 -0.839) 2.943 18.632 ( 5.826 4.009 -1.239) 7.180 ======================= Grid point 177 (93/226) ======================= q-point: (-0.09 0.36 0.09) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( -3.633 13.793 11.991) 18.634 1.860 ( -9.576 4.527 -7.183) 12.798 1.946 ( -1.230 1.133 -4.988) 5.261 2.329 ( 3.422 -1.558 -0.292) 3.771 2.459 ( -9.524 -7.109 6.934) 13.760 2.983 ( 21.156 -7.595 4.864) 22.999 4.854 ( 1.137 -6.357 -4.474) 7.856 5.029 ( 2.705 -13.074 -9.184) 16.205 5.401 ( 7.020 2.925 1.762) 7.807 6.563 ( -4.702 1.737 2.006) 5.400 6.889 ( -0.309 2.355 6.791) 7.194 7.058 ( -4.100 16.285 10.529) 19.821 7.393 ( -2.837 12.410 -14.722) 19.463 7.777 ( 2.152 6.237 -3.797) 7.612 7.871 ( -0.595 3.089 -4.247) 5.285 8.368 ( -3.291 -11.776 1.777) 12.355 8.793 ( -0.867 -4.713 6.066) 7.730 9.493 ( 5.186 -2.324 -0.230) 5.688 17.249 ( -1.116 -0.274 0.527) 1.264 17.279 ( -2.895 -0.177 0.975) 3.059 17.704 ( 3.815 4.304 -1.675) 5.990 17.775 ( 0.461 -1.085 -0.650) 1.346 18.536 ( 0.798 1.550 -1.930) 2.601 18.766 ( 5.079 4.109 -0.048) 6.533 ======================= Grid point 180 (94/226) ======================= q-point: ( 0.18 0.45 0.09) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( -15.317 -0.902 1.998) 15.473 1.518 ( -16.032 -5.790 13.023) 21.451 2.012 ( 6.589 1.826 -1.073) 6.921 2.499 ( 4.018 6.721 -0.206) 7.834 2.660 ( 4.886 1.941 -3.957) 6.580 3.118 ( 11.222 -7.721 -0.539) 13.632 4.546 ( 8.118 1.981 -4.768) 9.621 5.167 ( 10.738 -1.145 1.663) 10.926 5.489 ( 2.031 -9.837 2.357) 10.317 6.535 ( -6.252 7.563 -3.813) 10.527 6.872 ( -3.787 -0.500 1.356) 4.054 6.948 ( -9.944 10.491 -11.083) 18.215 7.378 ( -15.465 -11.058 13.279) 23.190 7.686 ( -3.006 0.810 0.166) 3.118 8.311 ( 8.224 -17.888 -7.276) 20.989 8.556 ( 8.721 7.122 -8.265) 13.967 8.709 ( -3.647 11.822 3.860) 12.960 9.194 ( 0.411 -4.835 4.759) 6.796 17.170 ( -3.735 0.717 0.221) 3.809 17.284 ( -0.268 -1.238 2.512) 2.813 17.657 ( -2.390 -0.723 -1.296) 2.814 17.871 ( 0.614 0.179 -0.228) 0.679 18.538 ( -0.381 0.175 -2.606) 2.639 18.845 ( 3.149 -6.211 -4.833) 8.477 ======================= Grid point 181 (95/226) ======================= q-point: ( 0.27 0.45 0.09) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( -12.464 -2.685 10.988) 16.831 1.325 ( -9.334 -3.746 12.798) 16.277 2.100 ( 4.703 -2.994 -3.589) 6.631 2.576 ( 2.972 0.096 -2.533) 3.906 2.708 ( 1.798 0.620 -5.857) 6.158 3.293 ( 10.309 4.704 3.072) 11.741 4.688 ( 8.436 5.786 -8.471) 13.282 5.277 ( 3.472 -1.390 -3.929) 5.424 5.536 ( 10.585 -10.606 10.091) 18.065 6.357 ( -16.192 9.112 -12.336) 22.302 6.813 ( -3.537 -1.321 1.476) 4.054 6.895 ( -2.809 4.888 0.128) 5.639 7.102 ( -13.117 -10.428 14.933) 22.446 7.652 ( -2.252 1.306 0.569) 2.665 8.031 ( -0.719 -29.122 -17.309) 33.886 8.702 ( 5.249 5.709 -5.577) 9.552 8.852 ( 0.548 13.048 4.853) 13.933 9.251 ( 3.144 1.068 7.113) 7.850 17.138 ( -1.160 1.326 0.198) 1.773 17.279 ( -0.088 -1.892 1.981) 2.741 17.599 ( -2.916 -0.079 -1.096) 3.117 17.863 ( -0.915 -0.587 -0.377) 1.151 18.505 ( -0.667 -1.362 -2.319) 2.771 18.778 ( 2.156 -10.980 -4.852) 12.196 ======================= Grid point 182 (96/226) ======================= q-point: ( 0.36 0.45 0.09) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( -4.711 -1.139 13.608) 14.446 1.288 ( -0.440 -3.950 13.416) 13.992 2.050 ( 0.073 -8.516 -6.023) 10.431 2.572 ( -1.045 -3.325 -4.716) 5.864 2.687 ( 1.379 0.696 -4.169) 4.446 3.582 ( 9.182 13.005 4.682) 16.594 4.843 ( 7.118 7.811 -6.718) 12.523 5.281 ( 1.981 -0.029 -5.256) 5.617 5.596 ( -3.632 -1.270 -4.281) 5.756 6.151 ( -2.107 -4.761 2.660) 5.847 6.766 ( -1.460 -2.915 5.396) 6.304 6.803 ( -11.555 -4.400 10.576) 16.271 6.995 ( -0.146 -0.612 2.393) 2.474 7.565 ( -4.171 -21.744 -14.025) 26.209 7.672 ( -0.418 -2.906 -2.938) 4.154 8.778 ( -1.034 5.008 1.552) 5.344 9.015 ( 4.932 7.354 -1.174) 8.932 9.367 ( 2.686 3.281 4.659) 6.299 17.158 ( 1.565 1.471 -0.076) 2.149 17.273 ( 0.554 -2.039 1.640) 2.675 17.548 ( -2.909 1.167 -0.530) 3.179 17.829 ( -1.515 -0.946 -0.620) 1.890 18.467 ( -0.296 -2.174 -1.369) 2.586 18.639 ( 0.015 -14.325 -4.544) 15.029 ======================= Grid point 183 (97/226) ======================= q-point: ( 0.45 0.45 0.09) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( 2.611 -1.637 9.972) 10.438 1.359 ( 4.007 -5.447 9.986) 12.059 1.895 ( -3.369 -8.061 -5.235) 10.185 2.451 ( -3.579 -3.191 -2.761) 5.533 2.711 ( 2.364 -0.009 -3.903) 4.563 3.868 ( 3.764 13.700 2.427) 14.414 5.003 ( 3.081 9.968 1.763) 10.581 5.202 ( -11.142 5.103 -12.289) 17.356 5.459 ( 0.402 2.309 -8.491) 8.808 6.187 ( 8.907 -17.913 13.148) 23.939 6.630 ( -8.395 -3.574 8.016) 12.145 6.790 ( 1.626 -2.274 2.864) 4.002 7.008 ( 2.807 -3.421 0.183) 4.429 7.199 ( -2.731 -16.095 -9.714) 18.996 7.685 ( 0.962 1.388 0.170) 1.697 8.787 ( -3.680 3.535 0.684) 5.148 9.147 ( 4.765 3.503 -0.991) 5.997 9.448 ( 0.190 3.902 1.453) 4.168 17.208 ( 2.649 0.406 0.610) 2.748 17.281 ( 1.698 -2.027 1.090) 2.860 17.519 ( -2.727 2.990 0.191) 4.051 17.795 ( -0.827 -0.717 -0.597) 1.247 18.430 ( -1.405 -3.055 -2.454) 4.163 18.465 ( 0.482 -13.157 -1.955) 13.310 ======================= Grid point 184 (98/226) ======================= q-point: ( 0.55 0.45 0.09) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( 6.942 -4.002 5.854) 9.924 1.392 ( 2.542 -7.407 2.479) 8.215 1.734 ( -5.062 -3.537 -3.525) 7.111 2.419 ( 1.983 0.103 3.161) 3.732 2.700 ( -0.051 -1.102 -4.280) 4.420 3.924 ( -10.240 7.384 -3.846) 13.197 4.961 ( -9.148 4.949 -9.248) 13.918 5.205 ( 1.660 9.993 8.928) 13.503 5.528 ( 5.156 5.665 -1.889) 7.889 6.158 ( 2.416 -18.872 2.747) 19.224 6.581 ( 1.928 -1.299 1.934) 3.024 6.729 ( -0.562 -4.029 -5.543) 6.876 7.067 ( -1.212 -2.644 1.846) 3.445 7.116 ( 12.828 -7.403 7.734) 16.709 7.718 ( 1.763 0.289 -0.085) 1.788 8.728 ( -6.437 3.429 -2.824) 7.821 9.233 ( 3.335 0.131 0.593) 3.389 9.467 ( -2.242 3.204 -0.927) 4.019 17.257 ( 2.300 -1.510 3.066) 4.120 17.294 ( 2.129 -2.689 -1.004) 3.574 17.516 ( -2.536 4.927 0.900) 5.614 17.785 ( 0.342 -0.214 -0.211) 0.455 18.303 ( 0.309 -8.615 -2.982) 9.122 18.429 ( 0.786 -1.809 0.137) 1.977 ======================= Grid point 185 (99/226) ======================= q-point: ( 0.64 0.45 0.09) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.264 ( 7.556 -5.501 -0.911) 9.391 1.393 ( 6.237 -5.150 4.426) 9.220 1.622 ( -4.654 1.871 -1.643) 5.279 2.509 ( 2.905 0.450 2.767) 4.037 2.650 ( -0.929 -0.394 -3.176) 3.333 3.664 ( -18.866 1.878 -6.675) 20.100 4.874 ( -2.816 3.909 -0.939) 4.909 5.272 ( -3.314 -3.659 5.091) 7.091 5.686 ( 0.528 -0.682 2.782) 2.913 6.045 ( 3.524 4.363 -4.184) 6.997 6.666 ( 7.755 2.586 -4.086) 9.139 6.742 ( 4.847 0.722 1.481) 5.119 7.026 ( -2.025 -1.757 0.663) 2.761 7.368 ( 16.601 -8.064 11.994) 22.011 7.751 ( 3.078 -1.697 0.147) 3.518 8.602 ( -9.724 4.995 -6.144) 12.540 9.267 ( 1.203 -2.850 1.412) 3.400 9.427 ( -3.504 1.156 -2.011) 4.203 17.282 ( 1.279 -3.388 -1.334) 3.859 17.295 ( 2.213 -2.935 3.118) 4.820 17.538 ( -2.032 5.894 1.248) 6.358 17.783 ( -0.094 -1.035 -0.379) 1.107 18.280 ( 4.173 -0.934 -0.797) 4.350 18.441 ( 1.183 0.518 0.268) 1.319 ======================= Grid point 186 (100/226) ======================= q-point: (-0.27 -0.55 0.09) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( 5.966 -3.439 -5.848) 9.034 1.581 ( 9.220 0.997 9.383) 13.193 1.616 ( 2.609 3.728 0.729) 4.608 2.493 ( -1.106 -2.660 -2.752) 3.984 2.649 ( -1.307 2.363 -1.429) 3.055 3.298 ( -18.649 -2.287 -3.696) 19.149 4.918 ( 0.338 4.862 6.837) 8.396 5.138 ( -4.834 -10.343 0.638) 11.435 5.476 ( -5.702 -14.497 -9.418) 18.204 6.364 ( 7.432 24.288 6.265) 26.162 6.808 ( 8.232 4.101 -8.779) 12.715 6.904 ( 6.523 3.921 5.159) 9.195 6.973 ( -1.949 1.258 0.724) 2.430 7.625 ( 10.917 -3.866 6.455) 13.259 7.819 ( 10.583 -7.925 5.005) 14.137 8.426 ( -12.557 7.485 -7.737) 16.540 9.218 ( -4.258 -4.456 1.466) 6.335 9.369 ( -0.561 -2.110 -2.094) 3.025 17.259 ( 1.372 -2.716 -2.843) 4.165 17.319 ( 1.568 -3.490 4.121) 5.623 17.576 ( -1.455 6.415 0.586) 6.604 17.760 ( -0.190 -1.449 -1.038) 1.792 18.400 ( 5.947 4.947 1.816) 7.946 18.479 ( 1.550 1.945 -0.170) 2.493 ======================= Grid point 187 (101/226) ======================= q-point: (-0.18 0.45 0.09) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.367 ( 6.923 2.267 -3.212) 7.962 1.711 ( 2.299 9.361 -1.650) 9.779 1.844 ( 11.628 -2.068 7.878) 14.197 2.469 ( 3.875 -2.280 -0.917) 4.588 2.577 ( -7.463 2.843 -4.142) 8.997 2.953 ( -15.727 -7.197 3.349) 17.617 4.923 ( -3.500 -14.791 -5.432) 16.141 5.024 ( -1.336 1.417 7.194) 7.453 5.238 ( -0.570 -4.128 -5.546) 6.937 6.690 ( -0.086 10.809 6.830) 12.786 6.883 ( 0.127 -1.140 -0.029) 1.147 6.970 ( 12.143 10.013 -13.907) 21.003 7.186 ( 3.212 14.979 9.553) 18.053 7.712 ( 1.317 1.473 -2.103) 2.885 8.027 ( 17.285 -13.232 9.442) 23.728 8.240 ( -13.511 10.050 -6.171) 17.934 9.065 ( -8.831 -5.001 2.936) 10.565 9.341 ( 3.205 -5.300 -2.946) 6.859 17.246 ( 1.216 -1.227 -2.177) 2.779 17.332 ( 0.672 -2.603 3.581) 4.478 17.622 ( -0.401 6.704 -1.268) 6.835 17.746 ( 0.862 -1.386 -0.540) 1.719 18.514 ( 0.476 2.694 -0.181) 2.742 18.580 ( 5.932 6.092 1.583) 8.649 ======================= Grid point 188 (102/226) ======================= q-point: (-0.09 0.45 0.09) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( 7.318 6.939 0.459) 10.095 1.809 ( 3.527 3.782 -5.281) 7.391 1.992 ( 1.047 4.183 -3.099) 5.310 2.409 ( -8.084 3.581 -1.121) 8.913 2.632 ( 10.020 -9.083 7.381) 15.407 2.655 ( -10.243 -5.682 7.648) 13.989 4.666 ( -0.983 -16.136 -11.260) 19.701 4.957 ( -3.981 -2.667 2.289) 5.311 5.345 ( 6.404 5.428 3.508) 9.098 6.654 ( -5.382 -2.335 -0.208) 5.871 6.919 ( 1.027 0.883 2.351) 2.713 7.270 ( 16.023 12.528 -15.850) 25.786 7.396 ( -5.798 17.433 10.270) 21.048 7.726 ( 1.075 2.975 -4.124) 5.197 8.116 ( -10.860 11.435 2.106) 15.910 8.189 ( 9.462 -10.982 4.046) 15.050 8.883 ( -8.430 -4.917 5.323) 11.117 9.333 ( 5.866 -8.066 -3.969) 10.734 17.249 ( 0.678 0.060 -0.335) 0.759 17.330 ( -1.251 -0.581 2.192) 2.590 17.684 ( 1.933 5.116 -2.051) 5.841 17.749 ( 0.948 -1.042 -0.150) 1.416 18.533 ( 0.030 1.786 -1.648) 2.430 18.735 ( 4.214 5.402 0.608) 6.879 ======================= Grid point 191 (103/226) ======================= q-point: ( 0.18 0.55 0.09) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( -11.898 -0.663 -3.410) 12.395 1.749 ( -9.471 -5.991 3.257) 11.670 1.936 ( 2.192 1.850 0.913) 3.010 2.395 ( 9.050 4.643 -6.771) 12.219 2.558 ( 0.143 -5.098 -4.584) 6.858 2.962 ( 10.101 -1.034 12.606) 16.187 4.500 ( 2.419 7.207 5.761) 9.539 5.012 ( 8.152 0.446 3.632) 8.936 5.396 ( -1.796 -8.271 -2.279) 8.765 6.628 ( 1.087 5.022 1.270) 5.292 6.912 ( -2.032 -2.022 -0.775) 2.970 7.210 ( -15.197 13.119 -15.732) 25.506 7.566 ( -8.634 -5.328 2.209) 10.383 7.758 ( -3.838 -0.651 2.666) 4.718 7.894 ( 9.226 -17.835 -10.842) 22.820 8.391 ( 4.145 -3.367 -8.747) 10.248 8.981 ( -3.416 16.349 7.175) 18.178 9.133 ( 4.389 -6.293 7.620) 10.814 17.246 ( -3.918 0.700 -0.658) 4.034 17.288 ( -0.243 -1.747 2.369) 2.954 17.690 ( -2.173 0.478 -0.677) 2.326 17.832 ( 2.497 -1.618 -0.338) 2.995 18.535 ( -0.706 0.910 -2.563) 2.810 18.725 ( -0.147 -4.277 -7.922) 9.004 ======================= Grid point 192 (104/226) ======================= q-point: ( 0.27 0.55 0.09) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( -11.792 -0.155 2.406) 12.036 1.538 ( -10.801 -5.862 8.196) 14.771 1.968 ( 2.714 -5.228 -2.397) 6.360 2.463 ( 3.499 -2.628 -2.953) 5.279 2.595 ( 6.830 3.027 -8.517) 11.329 3.214 ( 10.730 4.159 7.146) 13.546 4.654 ( 2.736 10.275 2.334) 10.886 5.202 ( 5.225 3.368 1.287) 6.349 5.312 ( 6.706 -12.135 6.843) 15.462 6.625 ( -9.705 8.235 -9.338) 15.786 6.840 ( -2.194 -3.564 -0.854) 4.272 7.013 ( -8.365 8.297 -9.356) 15.045 7.329 ( -13.713 -8.449 9.313) 18.605 7.645 ( 0.915 -26.332 -12.280) 29.069 7.721 ( -3.984 0.117 2.804) 4.873 8.509 ( 12.403 4.094 -10.024) 16.464 9.071 ( -4.615 8.437 5.403) 11.031 9.241 ( 4.839 1.537 7.741) 9.258 17.192 ( -3.043 1.330 0.162) 3.325 17.276 ( -0.558 -1.882 2.155) 2.915 17.647 ( -2.799 0.786 -0.875) 3.036 17.844 ( 1.324 -2.536 -0.075) 2.862 18.496 ( -1.689 -0.407 -3.700) 4.088 18.622 ( 0.352 -7.915 -6.512) 10.256 ======================= Grid point 193 (105/226) ======================= q-point: ( 0.36 0.55 0.09) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( -8.563 0.132 7.138) 11.149 1.396 ( -6.693 -3.942 11.482) 13.863 1.900 ( 1.977 -10.016 -4.965) 11.353 2.504 ( 2.966 -0.728 -1.369) 3.347 2.626 ( 1.345 0.282 -7.065) 7.197 3.510 ( 13.804 8.516 -0.812) 16.240 4.840 ( 4.235 11.972 3.374) 13.140 5.224 ( 1.741 -1.131 -0.175) 2.084 5.490 ( 9.937 -4.587 9.882) 14.746 6.325 ( -18.828 3.207 -17.709) 26.046 6.770 ( -0.462 -4.328 0.325) 4.364 6.975 ( -2.362 3.278 -0.546) 4.077 7.070 ( -12.520 -9.043 9.851) 18.318 7.303 ( -3.092 -21.395 -8.562) 23.251 7.699 ( -1.876 1.692 1.506) 2.941 8.697 ( 10.120 2.726 -5.693) 11.927 9.095 ( -2.881 5.548 2.327) 6.670 9.383 ( 3.357 3.727 5.104) 7.156 17.175 ( -1.171 1.811 1.018) 2.385 17.262 ( -0.394 -1.596 1.786) 2.427 17.607 ( -2.417 1.537 -0.625) 2.932 17.827 ( -0.177 -2.387 -0.312) 2.414 18.436 ( -0.572 -3.817 -2.855) 4.801 18.498 ( -1.235 -7.973 -4.527) 9.251 ======================= Grid point 194 (106/226) ======================= q-point: ( 0.45 0.55 0.09) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( -4.428 -1.770 8.062) 9.367 1.363 ( -2.278 -3.364 11.530) 12.225 1.806 ( 1.039 -7.549 -4.452) 8.826 2.457 ( -2.875 -3.160 -2.946) 5.190 2.647 ( 2.926 1.876 -3.017) 4.602 3.818 ( 13.207 9.107 -6.810) 17.428 5.068 ( 4.783 10.639 5.002) 12.692 5.281 ( 2.715 4.194 2.155) 5.441 5.548 ( -8.377 4.035 -5.043) 10.577 5.967 ( -2.412 -15.504 -3.937) 16.177 6.764 ( 1.841 -3.466 4.610) 6.055 6.827 ( -11.151 -7.356 11.081) 17.357 6.914 ( -3.861 -3.371 -9.303) 10.622 7.096 ( -0.462 -6.743 1.032) 6.837 7.702 ( -0.787 1.464 1.159) 2.026 8.814 ( 3.447 0.570 -0.653) 3.555 9.126 ( 0.704 4.715 -1.902) 5.133 9.480 ( 1.418 2.796 1.916) 3.674 17.197 ( 0.454 1.577 1.821) 2.451 17.257 ( 0.195 -1.292 1.651) 2.106 17.590 ( -1.604 2.466 -0.290) 2.956 17.794 ( -0.764 -1.690 -0.430) 1.904 18.329 ( -1.189 -10.183 -1.944) 10.435 18.421 ( -0.629 -0.965 -1.266) 1.712 ======================= Grid point 195 (107/226) ======================= q-point: ( 0.55 0.55 0.09) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( 0.185 -4.338 7.750) 8.883 1.339 ( -2.276 -6.345 5.712) 8.835 1.738 ( -0.683 -1.530 -3.609) 3.979 2.408 ( 1.136 -0.153 1.507) 1.893 2.682 ( 0.239 1.856 -1.788) 2.588 3.995 ( 3.819 4.450 -11.060) 12.518 5.132 ( -8.612 4.023 -9.549) 13.474 5.348 ( -7.307 9.687 0.294) 12.137 5.480 ( 7.564 8.100 1.406) 11.171 5.887 ( 8.966 -21.055 8.286) 24.339 6.644 ( -7.781 -4.456 9.445) 13.024 6.728 ( -4.593 -0.075 -3.909) 6.032 6.921 ( 9.229 -2.270 6.311) 11.408 7.071 ( -0.284 -1.868 1.654) 2.511 7.710 ( -0.156 0.438 0.722) 0.859 8.820 ( -2.677 0.816 -0.569) 2.856 9.183 ( 2.854 2.057 -2.115) 4.104 9.505 ( -0.776 0.719 -1.309) 1.683 17.235 ( 0.919 0.446 2.594) 2.788 17.259 ( 0.320 -1.613 1.652) 2.331 17.594 ( -0.772 2.483 -0.241) 2.611 17.771 ( -0.034 -0.854 -0.228) 0.884 18.226 ( -0.789 -4.420 0.600) 4.530 18.412 ( 0.453 -0.289 0.485) 0.723 ======================= Grid point 196 (108/226) ======================= q-point: (-0.36 -0.45 0.09) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( 2.769 -7.880 5.697) 10.110 1.266 ( 2.588 -7.020 1.266) 7.588 1.716 ( -2.281 5.632 -1.105) 6.176 2.493 ( 3.418 2.448 3.845) 5.697 2.670 ( -2.218 2.060 -1.098) 3.220 3.864 ( -10.075 -2.339 -14.128) 17.509 4.976 ( -5.835 6.508 -6.050) 10.630 5.307 ( -5.213 -3.654 1.192) 6.476 5.617 ( 3.305 -3.333 -6.198) 7.774 6.004 ( 9.901 1.664 11.881) 15.555 6.633 ( 3.303 2.296 8.106) 9.050 6.690 ( 0.173 2.396 0.161) 2.408 7.049 ( -1.084 -1.079 0.710) 1.686 7.144 ( 11.095 -0.993 10.963) 15.629 7.713 ( 0.412 -0.891 0.297) 1.026 8.748 ( -5.985 3.065 -3.862) 7.754 9.222 ( 1.874 -1.704 0.289) 2.549 9.453 ( -2.513 -2.017 -4.120) 5.231 17.239 ( -0.529 -1.176 -0.625) 1.433 17.272 ( 0.994 -2.312 4.699) 5.330 17.607 ( 0.077 1.565 0.221) 1.583 17.768 ( 0.074 -0.176 -0.300) 0.356 18.243 ( 1.944 3.918 2.805) 5.196 18.437 ( 1.147 1.095 1.616) 2.265 ======================= Grid point 197 (109/226) ======================= q-point: (-0.27 -0.45 0.09) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.089 ( 5.416 -8.232 -3.440) 10.438 1.370 ( 12.429 -6.241 7.295) 15.705 1.761 ( -2.851 11.550 1.585) 12.001 2.534 ( -3.631 1.565 1.526) 4.238 2.676 ( 0.194 3.482 -0.222) 3.495 3.509 ( -14.596 -5.627 -13.497) 20.660 4.980 ( -0.819 7.637 -2.478) 8.071 5.114 ( -6.530 -11.077 -0.047) 12.858 5.497 ( -8.302 -7.844 4.537) 12.290 6.307 ( 15.201 11.718 -9.966) 21.626 6.748 ( 4.294 0.421 1.025) 4.435 6.870 ( 4.524 3.077 10.240) 11.610 7.065 ( 3.064 8.232 7.386) 11.477 7.404 ( 11.464 -0.822 11.991) 16.610 7.713 ( 1.336 -2.123 0.088) 2.510 8.637 ( -8.447 6.547 -6.555) 12.537 9.211 ( 0.229 -5.553 1.721) 5.818 9.337 ( -3.166 -4.793 -5.666) 8.069 17.211 ( -0.168 -1.519 -1.053) 1.856 17.289 ( 1.049 -3.014 3.955) 5.082 17.636 ( 1.029 1.358 1.284) 2.133 17.758 ( -1.355 1.298 -1.154) 2.203 18.384 ( 4.503 7.584 3.350) 9.434 18.490 ( 1.111 3.086 2.310) 4.011 ======================= Grid point 198 (110/226) ======================= q-point: (-0.18 -0.45 0.09) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.144 ( 11.795 -3.247 -7.196) 14.193 1.621 ( 16.218 -4.848 9.870) 19.595 1.836 ( -3.409 10.579 1.342) 11.196 2.487 ( -4.335 3.615 1.682) 5.890 2.678 ( -3.426 2.533 -2.296) 4.840 3.130 ( -13.346 -7.250 -8.508) 17.409 4.806 ( -7.737 -10.520 -7.764) 15.193 5.141 ( 3.311 6.450 7.714) 10.587 5.280 ( -11.364 -6.209 5.903) 14.231 6.622 ( 17.231 10.959 -16.532) 26.274 6.828 ( 3.596 -2.762 -0.151) 4.537 6.856 ( -2.422 0.353 -0.151) 2.452 7.442 ( 6.664 19.104 18.382) 27.336 7.648 ( 8.963 -0.553 7.608) 11.770 7.727 ( 4.969 -5.510 2.660) 7.882 8.520 ( -10.282 11.190 -6.119) 16.382 9.141 ( -2.133 -7.958 2.321) 8.559 9.193 ( -1.210 -8.042 -6.346) 10.316 17.201 ( 1.242 -0.775 -1.024) 1.786 17.304 ( 1.511 -2.745 3.168) 4.456 17.681 ( 1.391 1.510 1.648) 2.632 17.737 ( -2.146 2.773 -2.228) 4.154 18.520 ( 1.975 2.473 0.336) 3.182 18.591 ( 2.937 8.437 3.773) 9.698 ======================= Grid point 199 (111/226) ======================= q-point: (-0.09 -0.45 0.09) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( 15.484 2.164 -8.395) 17.746 1.849 ( -4.000 5.017 -0.399) 6.429 1.915 ( 13.148 -1.035 8.304) 15.585 2.479 ( -2.572 3.515 -1.667) 4.664 2.596 ( -4.483 -0.065 -1.382) 4.691 2.825 ( -10.873 -6.295 1.698) 12.678 4.537 ( -6.390 -9.393 -5.103) 12.454 5.075 ( -9.886 -4.123 5.830) 12.195 5.332 ( 5.179 6.981 4.905) 9.981 6.690 ( -3.509 -5.316 -1.940) 6.659 6.911 ( 2.309 1.279 1.180) 2.892 6.972 ( 18.018 11.187 -18.063) 27.858 7.706 ( -0.860 2.904 -2.391) 3.859 7.751 ( -3.910 16.882 9.103) 19.575 7.885 ( 14.363 -12.495 9.115) 21.107 8.465 ( -9.481 17.284 1.244) 19.753 9.000 ( -7.365 -6.650 4.114) 10.742 9.088 ( 5.831 -12.522 -7.094) 15.528 17.225 ( 2.062 0.240 -0.175) 2.083 17.325 ( 1.562 -1.962 2.342) 3.431 17.717 ( -0.509 0.911 -1.701) 1.996 17.729 ( 0.186 3.706 0.043) 3.711 18.548 ( -0.379 1.708 -0.807) 1.927 18.738 ( 2.783 6.417 1.010) 7.067 ======================= Grid point 202 (112/226) ======================= q-point: ( 0.18 -0.36 0.09) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( 1.376 -6.505 -8.542) 10.825 1.798 ( -2.106 -1.991 -5.983) 6.648 1.931 ( 0.198 4.140 -9.489) 10.355 2.327 ( -0.308 5.435 3.204) 6.317 2.592 ( -9.794 -3.315 2.011) 10.534 2.811 ( 13.642 -5.829 16.357) 22.083 4.657 ( -2.439 11.635 10.601) 15.928 4.957 ( 2.760 2.205 5.778) 6.773 5.361 ( -4.461 -5.511 -3.885) 8.085 6.634 ( 3.444 2.518 2.088) 4.749 6.886 ( -0.133 -4.332 -4.437) 6.203 7.365 ( 3.305 -6.634 -17.253) 18.778 7.588 ( -1.219 5.203 -12.722) 13.799 7.614 ( -6.271 0.740 -5.650) 8.474 7.845 ( -0.277 1.634 -0.153) 1.665 8.304 ( -5.021 -9.879 4.257) 11.872 9.000 ( 8.356 -5.995 9.263) 13.841 9.226 ( -4.016 10.885 3.027) 11.991 17.271 ( -0.373 -1.602 -0.761) 1.813 17.306 ( -0.660 -0.202 1.510) 1.660 17.723 ( -0.425 1.180 -0.696) 1.434 17.777 ( 0.275 -1.908 -0.497) 1.991 18.550 ( -0.907 1.106 -1.202) 1.868 18.672 ( -3.413 -1.504 -9.394) 10.108 ======================= Grid point 203 (113/226) ======================= q-point: ( 0.27 -0.36 0.09) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( -1.281 -4.859 -2.784) 5.745 1.618 ( -8.825 -2.893 -5.935) 11.021 1.922 ( -1.933 -2.437 -0.809) 3.214 2.454 ( -3.012 2.491 3.207) 5.056 2.461 ( 6.082 3.527 -5.425) 8.880 3.069 ( 12.005 -3.765 10.576) 16.436 4.764 ( -0.199 8.010 3.520) 8.752 5.135 ( 6.372 -2.383 9.527) 11.707 5.251 ( -1.899 4.429 2.241) 5.315 6.665 ( 0.266 -6.060 -8.242) 10.234 6.822 ( 0.282 -0.569 -2.717) 2.790 7.154 ( -4.932 -7.340 -13.255) 15.934 7.384 ( -10.504 4.438 -14.845) 18.720 7.551 ( -6.600 -4.961 5.759) 10.067 7.845 ( -6.074 0.047 7.149) 9.381 8.277 ( 9.631 0.676 -6.748) 11.779 9.135 ( 5.356 -3.812 8.028) 10.376 9.281 ( -1.007 7.458 2.218) 7.846 17.236 ( -1.226 -0.323 -1.548) 2.001 17.304 ( -1.551 0.268 3.288) 3.646 17.694 ( -2.717 0.141 -1.227) 2.985 17.777 ( 2.491 -3.138 0.147) 4.009 18.519 ( -3.463 1.244 -4.098) 5.508 18.539 ( -1.866 -3.751 -6.185) 7.470 ======================= Grid point 204 (114/226) ======================= q-point: ( 0.36 0.64 0.09) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( -10.352 2.537 1.007) 10.706 1.464 ( 1.601 -5.999 0.085) 6.210 1.804 ( -4.953 -7.359 3.019) 9.371 2.482 ( 1.361 3.516 1.672) 4.124 2.556 ( 2.988 2.201 -7.353) 8.236 3.301 ( 13.851 0.406 0.258) 13.859 4.894 ( 4.966 5.883 4.083) 8.714 5.151 ( 3.396 -7.030 4.221) 8.876 5.461 ( 3.366 11.530 11.133) 16.377 6.408 ( -6.634 -13.730 -20.117) 25.243 6.781 ( -5.698 2.363 -3.520) 7.102 7.009 ( 0.521 -2.397 -1.748) 3.011 7.158 ( -9.723 2.930 -13.310) 16.741 7.360 ( -13.933 -9.511 16.059) 23.291 7.782 ( -4.635 0.935 4.094) 6.254 8.478 ( 13.790 3.640 -7.168) 15.962 9.184 ( -1.199 0.509 3.339) 3.584 9.380 ( 3.817 2.798 2.759) 5.479 17.215 ( -0.671 0.521 -0.028) 0.849 17.297 ( -2.434 1.199 3.297) 4.270 17.637 ( -1.542 -1.514 -1.927) 2.895 17.787 ( 1.503 -2.342 0.251) 2.794 18.402 ( -3.568 -2.571 -4.539) 6.320 18.474 ( -2.169 -0.807 -2.071) 3.105 ======================= Grid point 205 (115/226) ======================= q-point: ( 0.45 0.64 0.09) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( -7.528 -0.138 1.849) 7.753 1.477 ( -2.057 -0.362 9.448) 9.676 1.696 ( -0.566 -5.943 0.691) 6.009 2.459 ( -3.276 -2.960 -2.944) 5.307 2.615 ( 3.419 5.341 -2.041) 6.662 3.562 ( 16.605 3.571 -8.919) 19.184 5.082 ( 5.719 6.179 2.258) 8.717 5.223 ( 7.986 -5.698 10.452) 14.335 5.616 ( 1.877 -1.773 1.480) 2.976 6.001 ( -16.511 0.357 -15.146) 22.409 6.715 ( -0.071 -0.382 0.541) 0.665 6.954 ( -8.544 2.474 -8.645) 12.404 7.017 ( -0.616 -0.152 0.768) 0.996 7.122 ( -12.754 -10.046 16.984) 23.496 7.754 ( -2.461 1.218 2.139) 3.481 8.690 ( 10.440 2.016 -2.888) 11.018 9.171 ( -2.075 1.812 -0.798) 2.868 9.471 ( 2.922 0.830 0.879) 3.162 17.223 ( 0.215 0.333 2.194) 2.230 17.288 ( -2.572 2.343 2.517) 4.294 17.593 ( 0.406 -2.774 -2.375) 3.674 17.784 ( 0.093 -0.906 0.001) 0.911 18.304 ( -3.590 -1.656 0.434) 3.978 18.427 ( -1.517 0.215 -1.227) 1.963 ======================= Grid point 206 (116/226) ======================= q-point: (-0.45 -0.36 0.09) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( -4.779 -1.705 3.693) 6.276 1.432 ( -8.863 -4.798 10.139) 14.295 1.692 ( 3.325 1.564 -2.326) 4.348 2.392 ( 0.795 -0.827 0.121) 1.153 2.702 ( 1.008 4.944 -0.019) 5.045 3.781 ( 13.039 0.831 -15.475) 20.253 5.176 ( -0.621 0.539 -2.533) 2.663 5.361 ( 4.089 -2.057 -6.843) 8.233 5.571 ( 11.918 -15.507 9.139) 21.587 5.764 ( -17.983 17.908 -0.592) 25.385 6.744 ( -0.145 -3.568 2.533) 4.378 6.853 ( -9.097 -3.801 5.299) 11.193 6.893 ( -3.106 6.589 8.400) 11.118 7.060 ( 0.542 -1.760 2.787) 3.340 7.738 ( -1.715 0.392 1.534) 2.334 8.816 ( 3.573 -0.581 0.748) 3.697 9.156 ( 0.492 1.761 -3.896) 4.304 9.497 ( 0.303 -0.793 -2.039) 2.208 17.248 ( 0.592 -1.040 3.845) 4.027 17.287 ( -2.331 2.849 1.915) 4.149 17.566 ( 1.862 -3.483 -2.298) 4.570 17.777 ( -0.524 0.421 0.029) 0.673 18.268 ( -2.777 3.198 4.151) 5.931 18.414 ( -0.213 0.765 0.388) 0.884 ======================= Grid point 207 (117/226) ======================= q-point: (-0.36 -0.36 0.09) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( -1.498 -6.367 6.187) 9.004 1.232 ( -8.432 -8.655 1.740) 12.208 1.791 ( 2.003 9.091 0.954) 9.358 2.475 ( 4.720 3.269 3.493) 6.720 2.740 ( -1.846 3.702 0.581) 4.178 3.770 ( 1.742 -7.384 -20.065) 21.451 5.068 ( -3.258 -0.203 -4.043) 5.196 5.430 ( 5.592 6.176 -7.265) 11.054 5.520 ( -12.327 5.347 -8.532) 15.917 5.883 ( 11.752 -6.973 23.317) 27.026 6.676 ( -6.498 -4.075 4.221) 8.755 6.732 ( 1.365 -0.869 4.631) 4.905 7.035 ( 1.127 -1.289 2.307) 2.873 7.153 ( 4.298 13.782 11.350) 18.364 7.719 ( -1.365 -0.702 1.243) 1.975 8.812 ( -1.999 -1.056 -1.487) 2.706 9.170 ( 2.131 -1.171 -2.241) 3.307 9.441 ( -2.411 -2.317 -4.671) 5.744 17.258 ( -0.780 -0.694 1.642) 1.946 17.281 ( -1.711 -0.424 3.489) 3.909 17.566 ( 2.758 -2.592 -0.435) 3.810 17.780 ( -0.188 1.348 0.222) 1.379 18.326 ( -0.985 8.405 5.119) 9.890 18.441 ( 1.255 1.826 2.084) 3.042 ======================= Grid point 208 (118/226) ======================= q-point: (-0.27 -0.36 0.09) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( -4.040 -12.153 3.939) 13.399 1.150 ( 8.162 -7.055 2.071) 10.986 1.933 ( -0.704 13.327 2.991) 13.677 2.601 ( 1.718 4.049 2.599) 5.108 2.730 ( -2.228 2.249 0.064) 3.167 3.499 ( -6.731 -9.579 -19.578) 22.812 5.067 ( 0.175 6.555 -0.018) 6.558 5.241 ( -16.890 2.000 -4.317) 17.547 5.546 ( 1.964 0.377 0.269) 2.018 6.109 ( 9.853 -1.862 5.108) 11.253 6.642 ( 4.260 -3.231 1.148) 5.469 6.852 ( 7.162 -2.116 9.050) 11.734 7.043 ( 3.246 -2.162 3.408) 5.179 7.487 ( 4.181 19.971 13.353) 24.384 7.699 ( -0.871 -0.314 1.664) 1.904 8.740 ( -2.835 0.827 -5.689) 6.410 9.140 ( -0.394 -6.753 -2.423) 7.185 9.329 ( -3.822 -2.914 -3.380) 5.875 17.224 ( -2.554 -0.462 0.171) 2.602 17.272 ( 0.208 -2.884 3.152) 4.277 17.602 ( 2.832 -1.244 1.997) 3.682 17.795 ( -0.409 2.223 -0.234) 2.272 18.431 ( 1.048 6.169 3.058) 6.964 18.532 ( 1.877 7.177 4.112) 8.482 ======================= Grid point 209 (119/226) ======================= q-point: (-0.18 -0.36 0.09) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.874 ( 6.921 -8.864 -3.433) 11.758 1.333 ( 16.494 -6.712 8.146) 19.582 2.032 ( -4.699 10.872 2.651) 12.137 2.622 ( -3.171 2.313 1.458) 4.187 2.714 ( -1.042 0.119 -4.596) 4.715 3.181 ( -9.825 -2.777 -12.426) 16.083 4.933 ( -16.478 0.263 -3.591) 16.867 5.182 ( 2.818 7.737 3.006) 8.765 5.479 ( -9.793 -6.042 12.168) 16.747 6.323 ( 15.510 8.288 -14.840) 23.011 6.711 ( 5.850 -3.826 -0.330) 6.998 6.888 ( -1.288 -2.838 1.442) 3.434 7.268 ( 17.618 -7.241 14.810) 24.128 7.663 ( 1.289 -1.030 -0.475) 1.717 7.867 ( -0.506 24.155 12.796) 27.340 8.690 ( -1.170 5.795 -6.883) 9.074 8.987 ( -2.427 -11.355 -7.578) 13.866 9.221 ( -4.756 -4.633 2.890) 7.242 17.184 ( -0.778 -1.246 0.112) 1.473 17.272 ( 1.047 -2.268 2.064) 3.240 17.654 ( 2.409 -0.644 2.783) 3.736 17.800 ( -1.529 3.214 -1.350) 3.806 18.515 ( 1.959 2.536 1.483) 3.531 18.672 ( 1.116 9.629 3.401) 10.273 ======================= Grid point 210 (120/226) ======================= q-point: (-0.09 -0.36 0.09) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( 16.710 -1.658 -8.932) 19.020 1.648 ( 19.225 -5.885 11.394) 23.110 2.017 ( -7.181 5.243 1.877) 9.087 2.547 ( -0.557 -11.097 -8.675) 14.096 2.626 ( -6.879 6.914 -5.140) 11.025 2.997 ( -10.426 6.904 1.594) 12.605 4.656 ( -13.839 -0.203 0.659) 13.856 5.251 ( -8.791 -1.669 3.841) 9.738 5.380 ( -0.060 3.556 10.786) 11.357 6.581 ( 12.415 4.806 -13.761) 19.147 6.730 ( 5.284 0.304 -7.204) 8.939 6.883 ( 2.239 -0.322 0.790) 2.396 7.553 ( 14.932 -12.336 10.673) 22.114 7.686 ( 3.231 0.679 -0.097) 3.303 8.077 ( -6.537 17.244 3.255) 18.727 8.764 ( 7.448 -7.121 -8.861) 13.590 8.786 ( -6.680 8.352 0.365) 10.701 9.095 ( -6.424 -6.751 5.868) 11.012 17.185 ( 2.032 -0.763 0.122) 2.174 17.287 ( 1.680 -2.069 1.732) 3.179 17.700 ( 1.427 -0.258 2.008) 2.477 17.793 ( -1.930 3.837 -2.161) 4.808 18.561 ( 0.474 1.355 -0.058) 1.437 18.783 ( 0.363 7.013 0.722) 7.059 ======================= Grid point 213 (121/226) ======================= q-point: ( 0.18 -0.27 0.09) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( 6.548 -11.609 -13.964) 19.303 1.553 ( 16.443 1.719 -15.694) 22.795 2.054 ( -8.424 4.773 -2.376) 9.969 2.485 ( -6.234 2.688 6.923) 9.697 2.544 ( 14.039 -6.606 12.029) 19.632 2.895 ( -17.517 1.594 7.630) 19.173 4.890 ( -6.796 5.878 7.483) 11.693 5.043 ( -1.583 7.442 9.635) 12.277 5.400 ( -5.875 -0.699 -1.421) 6.085 6.587 ( 3.357 -2.592 0.474) 4.268 6.746 ( 3.384 -8.010 -13.871) 16.372 7.066 ( 7.115 -7.201 -8.332) 13.110 7.484 ( 10.486 8.984 -13.687) 19.442 7.691 ( 1.698 -1.720 -2.061) 3.176 7.975 ( -14.781 7.974 -7.491) 18.390 8.368 ( -1.068 -5.586 12.636) 13.857 8.864 ( 4.249 -7.179 8.600) 11.981 9.377 ( -3.564 5.687 -2.097) 7.031 17.246 ( 0.533 -2.281 -0.783) 2.470 17.291 ( 2.577 -0.496 1.088) 2.840 17.720 ( -0.064 1.165 -2.204) 2.494 17.790 ( -2.042 -0.577 0.177) 2.129 18.561 ( -0.536 0.204 -1.656) 1.753 18.703 ( -5.523 1.751 -6.326) 8.578 ======================= Grid point 214 (122/226) ======================= q-point: ( 0.27 -0.27 0.09) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.251 ( 7.836 -10.862 -10.237) 16.857 1.733 ( 2.108 5.923 -8.933) 10.923 1.910 ( -4.786 3.296 -6.682) 8.855 2.447 ( -3.398 -0.754 4.683) 5.835 2.615 ( -7.376 2.051 2.352) 8.010 2.894 ( 9.966 -5.849 16.613) 20.237 4.822 ( -2.793 -2.768 1.429) 4.183 5.127 ( -1.890 1.011 1.630) 2.693 5.433 ( -1.226 15.259 11.502) 19.148 6.437 ( 1.128 -18.099 -16.059) 24.222 6.777 ( 4.914 2.727 -0.982) 5.705 7.015 ( 1.044 -7.560 -4.206) 8.714 7.607 ( -0.710 1.263 0.463) 1.522 7.667 ( -13.468 14.456 -15.141) 24.892 7.856 ( 8.031 2.788 -4.637) 9.683 8.272 ( -10.898 -2.563 9.356) 14.590 9.001 ( 10.438 -5.185 9.146) 14.815 9.353 ( -1.501 1.674 -2.605) 3.441 17.225 ( 0.151 -1.054 -1.734) 2.035 17.332 ( 1.290 0.396 1.702) 2.172 17.721 ( -1.004 -2.899 0.606) 3.127 17.734 ( -1.338 1.042 -2.041) 2.653 18.524 ( -1.981 -0.667 -3.209) 3.830 18.594 ( -5.654 3.018 -3.934) 7.520 ======================= Grid point 215 (123/226) ======================= q-point: ( 0.36 -0.27 0.09) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.278 ( 8.780 -4.526 -4.704) 10.941 1.604 ( -11.880 4.206 -1.624) 12.707 1.884 ( -3.568 -1.240 1.389) 4.025 2.451 ( 4.213 3.740 -4.921) 7.480 2.572 ( -3.644 2.157 1.664) 4.549 3.089 ( 10.043 -5.285 7.288) 13.488 4.812 ( 5.713 -6.192 4.553) 9.576 5.114 ( -0.651 1.725 0.728) 1.982 5.620 ( -0.939 7.098 2.598) 7.616 6.212 ( 0.391 -8.092 -6.552) 10.420 6.861 ( -0.669 3.728 -2.587) 4.587 6.926 ( 1.155 -6.643 -0.488) 6.760 7.400 ( -17.213 9.863 -12.958) 23.695 7.572 ( -7.076 -0.563 5.333) 8.878 7.952 ( -8.053 1.971 6.543) 10.561 8.234 ( 10.749 2.056 -4.964) 12.017 9.170 ( 5.858 -1.714 6.321) 8.787 9.338 ( 2.132 -1.157 -2.329) 3.362 17.215 ( 0.281 0.241 -1.096) 1.156 17.366 ( -0.004 1.857 2.342) 2.989 17.626 ( -3.499 -4.232 -1.141) 5.609 17.751 ( 1.434 0.238 -0.737) 1.630 18.452 ( -4.153 1.316 -1.699) 4.676 18.521 ( -4.183 2.219 -1.862) 5.088 ======================= Grid point 216 (124/226) ======================= q-point: (-0.55 -0.27 0.09) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( -0.310 0.689 -2.022) 2.158 1.510 ( -2.034 4.824 2.767) 5.922 1.785 ( -7.600 -3.308 8.919) 12.175 2.474 ( -4.059 -2.687 -4.133) 6.385 2.595 ( 4.922 7.643 -2.784) 9.508 3.253 ( 13.604 -2.969 -5.157) 14.849 4.958 ( 12.656 -6.868 10.774) 17.984 5.153 ( 1.492 2.965 1.668) 3.715 5.482 ( -2.205 -14.565 -15.143) 21.126 6.272 ( -5.138 17.448 8.917) 20.257 6.763 ( -5.082 -0.837 -2.523) 5.735 6.958 ( 2.997 -1.243 -0.011) 3.244 7.143 ( -13.010 7.793 -11.215) 18.862 7.415 ( -14.990 -4.297 14.225) 21.108 7.848 ( -6.342 0.335 4.121) 7.570 8.476 ( 14.518 3.351 -4.627) 15.602 9.199 ( -1.280 -1.621 -1.302) 2.441 9.401 ( 5.613 -1.170 0.659) 5.771 17.226 ( 0.622 0.483 0.759) 1.094 17.396 ( -2.192 4.206 3.247) 5.748 17.522 ( -1.036 -5.565 -2.898) 6.360 17.771 ( 1.025 0.078 -0.363) 1.091 18.401 ( -4.347 3.130 2.359) 5.854 18.470 ( -3.261 2.606 -0.876) 4.266 ======================= Grid point 217 (125/226) ======================= q-point: (-0.45 -0.27 0.09) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.259 ( -7.661 1.842 -1.402) 8.003 1.620 ( -1.726 2.756 9.515) 10.056 1.667 ( -4.489 -0.851 3.980) 6.059 2.370 ( -0.415 -1.822 -1.426) 2.350 2.728 ( 2.683 6.196 -0.773) 6.796 3.416 ( 15.522 -3.578 -15.910) 22.514 5.130 ( 2.054 -9.086 -1.221) 9.395 5.248 ( 2.227 5.153 -8.258) 9.986 5.282 ( 12.954 -11.909 12.286) 21.461 6.276 ( -19.485 20.067 -3.933) 28.246 6.727 ( -0.332 -1.641 3.648) 4.014 6.969 ( -0.872 1.732 1.519) 2.464 7.014 ( -4.228 0.070 -0.039) 4.229 7.214 ( -12.593 1.400 14.883) 19.546 7.792 ( -3.084 -0.027 1.980) 3.665 8.696 ( 9.942 -0.061 -0.306) 9.947 9.129 ( -0.638 -3.028 -5.805) 6.578 9.464 ( 1.806 0.177 -0.943) 2.045 17.250 ( 0.634 -0.400 2.526) 2.635 17.392 ( -4.344 2.113 1.658) 5.107 17.475 ( 2.358 -2.270 -1.343) 3.538 17.783 ( 0.378 0.345 -0.108) 0.523 18.402 ( -2.599 5.120 4.828) 7.502 18.452 ( -2.605 3.765 0.887) 4.664 ======================= Grid point 218 (126/226) ======================= q-point: (-0.36 -0.27 0.09) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( -6.853 -2.853 -3.472) 8.195 1.397 ( -15.614 -9.062 8.249) 19.849 1.843 ( 5.246 11.440 3.832) 13.156 2.438 ( 5.652 3.161 2.929) 7.108 2.778 ( 0.139 -0.338 -1.654) 1.694 3.479 ( 8.924 -4.653 -19.639) 22.068 5.030 ( 2.101 -2.943 -4.679) 5.914 5.333 ( 4.311 8.366 -7.705) 12.163 5.564 ( 13.788 -7.867 17.557) 23.670 6.049 ( -19.840 13.065 -4.325) 24.147 6.693 ( -0.297 -2.583 -0.767) 2.711 6.834 ( -11.818 -8.191 11.090) 18.159 7.009 ( 1.286 -2.816 2.185) 3.789 7.347 ( 2.421 19.003 12.679) 22.973 7.756 ( -2.236 -0.428 2.085) 3.087 8.769 ( 1.973 -6.664 -0.495) 6.968 9.085 ( 3.264 -2.100 -5.798) 6.977 9.450 ( -2.462 0.860 -3.112) 4.060 17.264 ( 0.059 -1.349 2.534) 2.871 17.336 ( -2.401 -1.494 -0.583) 2.887 17.512 ( 1.403 1.328 2.488) 3.150 17.793 ( 0.184 0.743 0.280) 0.815 18.455 ( -0.194 1.891 1.621) 2.498 18.485 ( -1.582 10.131 5.816) 11.789 ======================= Grid point 219 (127/226) ======================= q-point: (-0.27 -0.27 0.09) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( -0.312 -8.487 0.450) 8.505 1.072 ( -13.530 -11.133 4.672) 18.133 2.069 ( 3.032 12.688 3.775) 13.581 2.596 ( 4.814 3.667 1.483) 6.231 2.705 ( 0.640 -8.370 -6.027) 10.334 3.420 ( -1.736 3.003 -12.458) 12.932 5.093 ( 4.261 5.322 -0.679) 6.852 5.452 ( 5.313 8.217 -10.494) 14.348 5.604 ( -15.384 8.381 -4.786) 18.161 5.992 ( 5.857 -8.499 20.852) 23.267 6.618 ( -5.225 -4.015 -0.041) 6.590 6.739 ( 4.903 -5.590 7.481) 10.548 7.001 ( 0.711 -3.890 1.942) 4.406 7.636 ( 1.168 6.163 4.097) 7.492 7.807 ( 2.403 16.355 10.771) 19.730 8.666 ( 0.556 -10.791 -7.070) 12.912 9.081 ( 0.325 -2.754 -2.728) 3.890 9.373 ( -4.713 0.468 -1.939) 5.118 17.257 ( -0.071 -1.953 1.230) 2.309 17.272 ( -2.900 -1.752 -0.390) 3.410 17.572 ( 1.735 0.797 4.415) 4.810 17.809 ( 0.453 1.036 0.256) 1.160 18.482 ( -0.127 2.220 2.142) 3.088 18.627 ( 1.132 11.110 4.354) 11.987 ======================= Grid point 220 (128/226) ======================= q-point: (-0.18 -0.27 0.09) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.756 ( -7.332 -14.662 5.577) 17.316 1.037 ( 13.300 -7.626 3.143) 15.650 2.180 ( -0.759 1.020 -1.822) 2.222 2.544 ( 0.688 -7.911 -7.167) 10.697 2.729 ( 0.888 5.624 -1.174) 5.813 3.362 ( -8.855 13.920 -2.631) 16.707 5.234 ( 3.005 8.984 1.226) 9.552 5.276 ( -20.518 7.343 -7.103) 22.921 5.582 ( 0.907 0.054 3.722) 3.831 6.125 ( 6.378 -1.708 4.653) 8.077 6.569 ( 4.405 -4.113 -0.613) 6.058 6.839 ( 4.730 -5.535 3.805) 8.215 7.036 ( 8.819 -6.159 8.374) 13.632 7.636 ( -0.208 -1.965 -0.189) 1.985 8.174 ( 1.855 24.322 9.410) 26.144 8.530 ( 5.258 -12.385 -11.523) 17.714 8.991 ( -5.063 0.229 -4.612) 6.853 9.291 ( -5.000 -2.592 5.194) 7.662 17.198 ( -2.535 -2.695 0.041) 3.700 17.249 ( 0.400 -1.223 0.385) 1.343 17.636 ( 1.790 0.245 4.652) 4.990 17.827 ( 0.207 1.201 -0.474) 1.308 18.521 ( 0.940 1.559 1.811) 2.567 18.773 ( 0.778 10.116 1.884) 10.319 ======================= Grid point 221 (129/226) ======================= q-point: (-0.09 -0.27 0.09) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.660 ( 10.123 -8.284 -3.219) 13.471 1.302 ( 20.420 -7.697 9.444) 23.778 2.054 ( 1.084 -15.256 -10.114) 18.337 2.451 ( -5.764 1.677 -2.334) 6.440 2.754 ( -3.220 6.135 -3.034) 7.563 3.352 ( -12.596 19.270 3.425) 23.275 4.967 ( -18.219 4.912 -1.130) 18.904 5.363 ( -0.562 7.518 0.425) 7.551 5.536 ( -7.139 -5.284 15.463) 17.833 6.307 ( 14.086 8.525 -14.232) 21.763 6.611 ( 4.429 -4.127 -1.918) 6.350 6.835 ( 1.622 -3.656 0.271) 4.009 7.252 ( 14.555 -10.747 12.244) 21.846 7.633 ( 2.569 -0.578 -0.934) 2.794 8.269 ( -0.168 -4.770 -7.507) 8.896 8.496 ( -0.703 0.190 -7.978) 8.012 8.988 ( 1.067 13.653 -2.009) 13.841 9.206 ( -7.106 -3.397 12.853) 15.075 17.151 ( 0.245 -2.171 0.224) 2.197 17.252 ( 1.089 -1.585 0.578) 2.008 17.693 ( 1.371 0.367 3.748) 4.008 17.830 ( -0.620 1.475 -1.651) 2.300 18.559 ( 0.981 0.701 0.489) 1.301 18.862 ( -0.973 6.996 -0.663) 7.094 ======================= Grid point 224 (130/226) ======================= q-point: ( 0.18 -0.18 0.09) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.962 ( 8.608 -18.770 -15.292) 25.696 1.194 ( 20.064 9.648 -12.956) 25.759 2.045 ( 16.375 -6.299 11.677) 21.075 2.461 ( -6.343 2.119 1.856) 6.941 2.665 ( -7.181 1.639 5.511) 9.199 3.325 ( -24.039 4.677 1.835) 24.558 5.101 ( -11.975 -4.070 7.402) 14.655 5.234 ( -3.792 9.617 5.777) 11.842 5.535 ( -4.697 6.385 4.136) 8.940 6.394 ( 1.523 -16.087 -18.013) 24.199 6.562 ( 6.946 2.803 -1.865) 7.719 6.886 ( 6.310 -2.378 -2.106) 7.065 7.260 ( 14.239 7.695 -14.075) 21.449 7.624 ( 2.136 -3.131 1.458) 4.062 8.238 ( 4.020 -4.461 8.291) 10.237 8.328 ( -3.311 8.615 3.059) 9.723 8.884 ( -6.111 -2.707 6.288) 9.177 9.434 ( -3.710 -0.138 -8.450) 9.230 17.196 ( 1.780 -3.035 -0.055) 3.519 17.249 ( 2.319 0.300 0.573) 2.408 17.721 ( -0.621 1.004 -3.838) 4.016 17.817 ( -0.958 -0.112 0.638) 1.157 18.557 ( -0.124 0.249 -1.701) 1.724 18.803 ( -5.899 3.055 -1.862) 6.899 ======================= Grid point 225 (131/226) ======================= q-point: ( 0.27 -0.18 0.09) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( 11.521 -8.116 -8.378) 16.395 1.540 ( 16.665 11.870 -13.427) 24.472 2.079 ( -9.771 0.278 -2.115) 10.001 2.546 ( 8.785 -6.957 11.995) 16.415 2.592 ( -5.002 -0.169 4.821) 6.950 3.014 ( -15.030 0.548 5.576) 16.040 4.870 ( -8.921 -8.980 1.899) 12.799 5.219 ( -5.141 4.264 -0.923) 6.743 5.642 ( -0.141 7.693 1.925) 7.931 6.187 ( 0.350 -6.946 -5.669) 8.972 6.700 ( 6.382 1.770 0.521) 6.643 6.916 ( 2.435 -3.459 -1.764) 4.583 7.534 ( 15.607 10.583 -12.925) 22.861 7.647 ( 2.160 -1.331 1.451) 2.923 8.039 ( -17.311 5.782 -4.925) 18.904 8.525 ( -3.446 5.713 9.978) 12.003 8.828 ( 4.600 -6.606 7.809) 11.215 9.327 ( -0.362 -4.033 -7.107) 8.179 17.193 ( 1.149 -1.321 -0.997) 2.015 17.297 ( 2.833 0.169 -0.346) 2.859 17.709 ( 0.388 0.810 -2.412) 2.573 17.779 ( -3.403 -0.695 0.632) 3.530 18.541 ( -1.227 0.849 -1.287) 1.971 18.718 ( -6.551 3.828 -1.737) 7.784 ======================= Grid point 226 (132/226) ======================= q-point: ( 0.36 -0.18 0.09) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.074 ( 10.941 2.652 -0.153) 11.259 1.794 ( 2.424 9.516 -7.193) 12.173 1.886 ( -4.865 1.291 -4.491) 6.746 2.464 ( -5.961 -1.535 3.414) 7.039 2.643 ( -1.042 -1.844 1.332) 2.502 2.959 ( 3.504 -6.074 9.645) 11.925 4.698 ( -0.127 -10.034 2.711) 10.395 5.185 ( -3.202 4.357 0.010) 5.407 5.543 ( -0.874 -12.182 -16.667) 20.663 6.298 ( 0.246 16.528 16.000) 23.005 6.806 ( 5.024 -2.776 1.454) 5.921 6.893 ( -0.712 -0.106 -2.616) 2.713 7.653 ( -2.092 0.966 2.955) 3.747 7.740 ( -16.937 9.270 -11.719) 22.586 7.863 ( 16.246 5.841 -7.718) 18.911 8.385 ( -18.169 2.401 6.708) 19.516 9.026 ( 13.168 -3.178 8.568) 16.028 9.248 ( 1.391 -6.143 -6.098) 8.767 17.202 ( 0.968 0.669 -1.066) 1.588 17.345 ( 3.044 0.264 -1.029) 3.224 17.689 ( -5.367 -1.500 2.397) 6.066 17.726 ( 0.766 1.057 -2.486) 2.808 18.518 ( -2.306 1.364 0.334) 2.700 18.640 ( -6.097 4.820 -1.435) 7.903 ======================= Grid point 227 (133/226) ======================= q-point: ( 0.45 -0.18 0.09) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( 6.839 7.579 2.921) 10.618 1.687 ( -8.951 4.058 0.918) 9.871 1.912 ( -3.008 1.513 2.474) 4.178 2.469 ( 1.927 1.815 -2.988) 3.992 2.579 ( -0.810 1.758 -3.601) 4.088 2.998 ( 6.289 -9.854 -0.594) 11.705 4.729 ( 10.597 -9.701 9.285) 17.106 5.184 ( -0.501 -2.275 0.880) 2.490 5.290 ( -2.529 -5.747 -16.332) 17.497 6.603 ( -0.812 20.955 17.525) 27.329 6.787 ( -1.523 -5.165 0.209) 5.389 6.910 ( 1.718 2.443 -1.760) 3.467 7.420 ( -17.984 6.773 -10.836) 22.061 7.642 ( -5.478 1.211 4.422) 7.143 8.070 ( -11.363 2.285 4.889) 12.579 8.220 ( 11.253 2.302 -5.124) 12.577 9.149 ( 0.354 -6.840 -4.940) 8.445 9.267 ( 10.094 -1.107 4.120) 10.959 17.224 ( 0.826 1.278 -0.103) 1.525 17.388 ( 2.824 -0.768 -2.007) 3.549 17.588 ( -6.609 1.106 2.325) 7.093 17.747 ( 1.486 0.312 -0.679) 1.663 18.493 ( -2.693 1.083 1.734) 3.381 18.596 ( -5.002 6.715 0.089) 8.374 ======================= Grid point 228 (134/226) ======================= q-point: (-0.45 -0.18 0.09) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.403 ( -5.694 5.673 -3.010) 8.583 1.684 ( 0.999 8.770 5.500) 10.400 1.852 ( -8.277 -2.898 10.321) 13.544 2.363 ( -3.573 -3.325 -2.459) 5.465 2.712 ( 4.890 6.008 -3.336) 8.434 3.008 ( 13.459 -8.449 -13.994) 21.175 4.928 ( 12.111 -10.252 9.088) 18.286 5.062 ( 3.464 -8.277 -2.026) 9.198 5.272 ( 0.350 7.857 -2.696) 8.314 6.646 ( -7.530 1.159 -4.569) 8.884 6.871 ( -8.824 17.445 7.040) 20.778 6.939 ( 2.117 -0.396 0.647) 2.248 7.167 ( -9.383 3.609 -1.330) 10.141 7.543 ( -11.982 2.180 10.606) 16.150 7.885 ( -8.120 -1.211 2.771) 8.665 8.477 ( 14.456 0.500 -2.912) 14.755 9.031 ( 0.233 -8.530 -7.820) 11.574 9.424 ( 4.919 1.907 1.743) 5.556 17.249 ( 0.659 0.269 1.150) 1.352 17.374 ( 0.089 -4.194 -2.975) 5.143 17.552 ( -3.536 6.093 3.185) 7.731 17.770 ( 1.201 0.089 0.093) 1.208 18.478 ( -1.789 1.550 2.230) 3.253 18.601 ( -3.896 7.931 2.299) 9.131 ======================= Grid point 229 (135/226) ======================= q-point: (-0.36 -0.18 0.09) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.223 ( -12.116 0.614 -9.660) 15.507 1.643 ( -15.877 -8.959 10.325) 20.951 1.895 ( 5.228 11.048 6.115) 13.667 2.382 ( 5.729 2.658 1.631) 6.523 2.674 ( 0.967 -12.349 -8.462) 15.001 3.188 ( 14.467 8.011 -11.822) 20.328 4.931 ( 2.790 -1.397 -3.762) 4.888 5.274 ( 13.368 -3.044 7.694) 15.721 5.374 ( 5.871 2.693 6.679) 9.291 6.457 ( -14.521 8.523 -11.184) 20.214 6.745 ( -10.360 4.337 -6.021) 12.743 6.954 ( -0.339 -2.486 -1.042) 2.716 7.076 ( -12.433 -6.893 19.040) 23.762 7.576 ( -0.656 15.090 10.616) 18.462 7.807 ( -2.112 -0.048 2.839) 3.539 8.608 ( 5.598 -10.846 -1.482) 12.295 8.947 ( 4.723 -2.839 -7.671) 9.445 9.490 ( -0.465 3.588 -1.242) 3.825 17.261 ( 0.149 -1.315 1.101) 1.721 17.309 ( -0.231 -3.747 -2.240) 4.372 17.590 ( -2.209 5.907 3.655) 7.289 17.790 ( 0.820 0.127 0.419) 0.930 18.491 ( -0.559 2.006 2.106) 2.962 18.649 ( -2.209 8.848 3.608) 9.807 ======================= Grid point 230 (136/226) ======================= q-point: (-0.27 -0.18 0.09) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.940 ( -8.863 -4.453 -11.358) 15.080 1.297 ( -18.635 -12.755 10.400) 24.862 2.082 ( 5.146 -0.992 -2.608) 5.854 2.480 ( 2.749 -4.503 -7.265) 8.979 2.594 ( 6.284 2.430 3.291) 7.498 3.441 ( 6.152 15.728 -4.385) 17.449 5.018 ( 7.311 5.623 -3.929) 10.026 5.418 ( 3.185 7.133 -4.435) 8.983 5.634 ( 12.679 -6.014 15.618) 20.996 6.194 ( -17.795 10.054 -8.563) 22.160 6.626 ( -1.872 -1.694 -3.118) 4.012 6.801 ( -11.471 -8.457 9.854) 17.326 6.970 ( -1.587 -5.922 6.511) 8.944 7.681 ( -1.743 -0.194 1.021) 2.029 7.981 ( 6.407 17.764 10.855) 21.782 8.462 ( 0.042 -17.285 -7.904) 19.006 9.012 ( 4.918 -0.671 -1.102) 5.085 9.470 ( -4.756 4.197 -1.904) 6.623 17.234 ( -0.094 -2.823 -1.504) 3.200 17.275 ( -0.174 -2.079 -0.224) 2.099 17.629 ( -1.833 3.591 5.048) 6.460 17.807 ( 0.673 0.120 0.293) 0.744 18.514 ( -0.266 1.503 1.815) 2.372 18.745 ( 0.179 9.482 2.814) 9.892 ======================= Grid point 231 (137/226) ======================= q-point: (-0.18 -0.18 0.09) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.774 ( 4.698 -9.401 -3.477) 11.070 0.898 ( -17.530 -15.215 9.090) 24.928 1.946 ( 3.973 -23.077 -15.238) 27.937 2.557 ( 1.382 10.629 1.678) 10.849 2.751 ( 3.237 5.899 1.198) 6.835 3.649 ( -2.509 21.661 1.813) 21.881 5.219 ( 9.300 9.301 -4.029) 13.756 5.495 ( 0.102 7.620 -8.267) 11.244 5.684 ( -11.015 5.571 -4.893) 13.278 6.095 ( 1.344 -6.249 20.055) 21.049 6.528 ( -4.985 -3.649 -1.549) 6.369 6.703 ( 4.430 -6.669 6.434) 10.272 6.934 ( 1.304 -6.735 4.374) 8.136 7.631 ( -1.925 -2.655 0.018) 3.280 8.204 ( 3.748 -20.351 -13.668) 24.800 8.383 ( 5.980 21.347 5.414) 22.820 9.034 ( -1.290 -0.054 -1.154) 1.732 9.414 ( -5.774 2.292 5.238) 8.125 17.193 ( -0.555 -3.259 -1.208) 3.520 17.244 ( -0.884 -1.044 -0.999) 1.694 17.666 ( -0.588 1.363 5.888) 6.072 17.819 ( 0.786 -0.151 -0.223) 0.831 18.534 ( 0.135 0.619 1.528) 1.654 18.859 ( 0.992 8.694 0.172) 8.752 ======================= Grid point 232 (138/226) ======================= q-point: (-0.09 -0.18 0.09) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.530 ( -9.008 -17.079 9.223) 21.398 0.914 ( 19.519 -9.867 4.964) 22.428 1.678 ( 5.197 -25.794 -16.179) 30.888 2.640 ( -5.695 9.121 2.401) 11.017 2.828 ( -0.384 6.240 -2.674) 6.799 3.804 ( -9.772 25.372 4.959) 27.638 5.313 ( -17.159 7.082 -10.117) 21.141 5.429 ( 4.111 9.382 -1.755) 10.392 5.639 ( -0.734 0.029 6.718) 6.758 6.175 ( 1.892 -0.681 7.557) 7.820 6.482 ( 4.254 -2.993 -1.127) 5.322 6.749 ( 3.189 -6.241 0.717) 7.045 7.001 ( 10.935 -9.310 10.764) 17.947 7.580 ( 0.553 -2.189 -2.708) 3.526 7.957 ( 3.981 -22.432 -14.393) 26.948 8.627 ( -2.570 13.438 -6.280) 15.054 9.024 ( 1.591 5.423 -4.057) 6.957 9.412 ( -4.821 3.427 16.658) 17.677 17.135 ( -1.160 -2.976 -0.301) 3.208 17.226 ( 0.439 -0.978 -0.680) 1.269 17.709 ( 0.462 0.564 5.047) 5.100 17.826 ( 0.602 -0.359 -0.967) 1.195 18.550 ( 0.656 -0.171 0.678) 0.959 18.934 ( -0.552 6.246 -2.381) 6.707 ======================= Grid point 268 (139/226) ======================= q-point: ( 0.18 0.18 0.18) 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 2.98e-04 3.39e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.876 ( -0.000 0.000 22.419) 22.419 0.876 ( -0.000 0.000 22.419) 22.419 1.130 ( -0.000 0.000 29.503) 29.503 2.787 ( 0.000 -0.000 -9.501) 9.501 2.787 ( 0.000 -0.000 -9.501) 9.501 4.329 ( 0.000 -0.000 -25.401) 25.401 5.223 ( 0.000 -0.000 -12.998) 12.998 5.223 ( 0.000 -0.000 -12.998) 12.998 5.714 ( 0.000 -0.000 -9.700) 9.700 6.491 ( -0.000 0.000 3.832) 3.832 6.491 ( -0.000 0.000 3.832) 3.832 6.987 ( -0.000 0.000 14.506) 14.506 6.987 ( -0.000 0.000 14.506) 14.506 7.041 ( -0.000 0.000 24.740) 24.740 7.599 ( -0.000 0.000 1.237) 1.237 8.928 ( 0.000 -0.000 -6.311) 6.311 8.928 ( 0.000 -0.000 -6.311) 6.311 9.781 ( 0.000 -0.000 -5.519) 5.519 17.106 ( -0.000 0.000 2.299) 2.299 17.106 ( -0.000 0.000 2.299) 2.299 17.765 ( -0.000 0.000 0.084) 0.084 17.765 ( -0.000 0.000 0.084) 0.084 18.538 ( -0.000 0.000 1.039) 1.039 19.323 ( 0.000 -0.000 -1.472) 1.472 ======================= Grid point 269 (140/226) ======================= q-point: ( 0.27 0.18 0.18) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.912 ( 0.631 -0.380 18.517) 18.532 1.173 ( 1.668 12.560 22.070) 25.448 1.427 ( 12.424 -0.773 25.627) 28.490 2.623 ( -4.826 -4.250 -10.418) 12.243 2.776 ( 0.637 -0.470 -8.810) 8.845 4.060 ( -9.744 -4.222 -23.140) 25.461 4.934 ( -7.754 -5.709 -13.411) 16.510 5.441 ( 14.749 8.371 -13.774) 21.849 5.595 ( -4.415 -3.283 -7.506) 9.307 6.389 ( -9.727 -2.591 7.686) 12.665 6.597 ( 4.218 -0.732 3.317) 5.416 6.791 ( -5.558 -4.350 11.426) 13.430 7.258 ( -3.348 21.192 16.333) 26.964 7.407 ( 18.584 -7.540 14.433) 24.709 7.638 ( 4.260 -0.331 5.592) 7.037 8.758 ( -3.032 -7.902 -8.913) 12.291 9.052 ( 6.661 6.996 -5.061) 10.905 9.564 ( -14.837 -5.378 -4.784) 16.491 17.103 ( -1.128 1.621 2.159) 2.926 17.189 ( 4.308 0.987 1.998) 4.850 17.735 ( -3.177 1.878 -0.117) 3.692 17.770 ( 1.776 -2.548 -0.164) 3.110 18.545 ( 0.057 -0.174 0.624) 0.650 19.249 ( -4.997 -3.340 -0.408) 6.024 ======================= Grid point 270 (141/226) ======================= q-point: ( 0.36 0.18 0.18) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( 5.831 4.378 10.380) 12.685 1.476 ( 0.673 18.142 19.898) 26.936 1.782 ( 13.364 -3.477 17.841) 22.561 2.435 ( -3.417 -5.982 -7.397) 10.108 2.690 ( -1.429 -4.541 -6.919) 8.398 3.671 ( -14.920 -4.130 -17.505) 23.369 4.688 ( -5.896 -4.552 -11.019) 13.300 5.400 ( -5.936 -6.033 -5.786) 10.252 5.672 ( 7.791 3.594 -5.728) 10.316 6.264 ( -4.682 1.955 2.255) 5.553 6.660 ( 4.380 -3.423 2.174) 5.969 6.817 ( 1.235 2.578 4.502) 5.333 7.492 ( -4.201 19.319 14.473) 24.502 7.592 ( 4.250 0.668 0.519) 4.333 7.899 ( 20.363 -8.764 16.266) 27.496 8.562 ( -1.464 -11.993 -9.708) 15.499 9.181 ( -12.481 -7.257 6.956) 16.026 9.203 ( -2.614 12.101 -16.268) 20.443 17.126 ( -0.185 2.812 1.869) 3.381 17.271 ( 2.445 0.530 2.617) 3.620 17.700 ( -2.992 2.691 -0.530) 4.059 17.788 ( 3.678 -2.543 -1.388) 4.681 18.538 ( -0.255 -0.802 -0.800) 1.161 19.099 ( -6.837 -4.795 -1.217) 8.439 ======================= Grid point 271 (142/226) ======================= q-point: ( 0.45 0.18 0.18) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.301 ( 7.299 6.732 3.301) 10.464 1.764 ( 0.747 13.913 11.572) 18.112 1.949 ( 1.331 -3.489 5.301) 6.484 2.342 ( 2.844 -7.585 -2.552) 8.493 2.606 ( 0.829 -3.348 0.947) 3.577 3.288 ( -14.629 -2.737 -9.077) 17.432 4.517 ( -3.800 -2.496 -4.989) 6.750 5.201 ( -6.297 -7.503 -1.536) 9.915 5.670 ( -6.433 -1.797 3.737) 7.653 6.355 ( 10.002 7.436 -8.684) 15.190 6.725 ( 6.806 -1.957 -2.658) 7.564 6.892 ( 1.505 2.912 2.330) 4.021 7.637 ( -2.509 8.075 0.050) 8.456 7.677 ( 1.628 5.587 6.402) 8.652 8.268 ( 20.841 -8.822 14.211) 26.723 8.343 ( -3.598 -13.020 -8.323) 15.867 8.825 ( -17.985 5.467 -7.621) 20.284 9.282 ( 0.115 4.281 -0.079) 4.283 17.174 ( 1.019 3.378 1.064) 3.685 17.318 ( 0.413 0.520 3.577) 3.638 17.683 ( -1.458 2.486 -1.002) 3.051 17.816 ( 3.426 -2.732 -2.370) 4.981 18.514 ( -0.058 -1.163 -2.477) 2.737 18.916 ( -6.739 -4.467 -4.094) 9.063 ======================= Grid point 272 (143/226) ======================= q-point: ( 0.55 0.18 0.18) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( 7.114 7.601 -1.755) 10.558 1.839 ( 0.697 -3.662 -3.661) 5.225 1.917 ( -3.891 -2.931 1.855) 5.213 2.307 ( -0.696 0.589 -1.209) 1.514 2.638 ( -1.061 3.305 1.925) 3.969 3.062 ( -6.160 -3.800 6.555) 9.765 4.462 ( -0.234 -0.426 4.247) 4.275 5.034 ( -4.541 -6.693 2.150) 8.369 5.546 ( -7.485 0.131 1.346) 7.606 6.536 ( 6.831 2.881 -2.328) 7.770 6.836 ( 12.166 0.403 -12.880) 17.722 6.959 ( 2.434 3.857 -0.045) 4.561 7.610 ( -1.594 -2.292 -7.150) 7.676 7.765 ( 2.816 -1.147 1.302) 3.308 8.057 ( -13.101 -3.400 -10.149) 16.917 8.556 ( -0.063 6.538 6.787) 9.424 8.687 ( 8.303 -1.696 2.418) 8.813 9.282 ( -4.439 0.857 4.140) 6.130 17.237 ( 1.823 3.311 -0.178) 3.784 17.342 ( -1.110 0.707 3.849) 4.068 17.686 ( 0.191 1.631 -1.263) 2.072 17.810 ( 1.246 -3.560 -2.441) 4.493 18.492 ( 1.057 -0.813 -3.254) 3.516 18.746 ( -4.391 -2.321 -7.750) 9.205 ======================= Grid point 273 (144/226) ======================= q-point: (-0.36 0.18 0.18) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( -4.434 -4.857 -6.896) 9.530 1.737 ( 6.652 -1.371 -9.735) 11.870 1.875 ( -2.865 1.098 -2.503) 3.960 2.282 ( -0.392 1.992 -0.146) 2.036 2.684 ( -0.078 7.052 1.037) 7.129 3.009 ( -6.312 -5.400 18.021) 19.844 4.557 ( 5.263 0.000 12.165) 13.255 4.963 ( -0.514 -1.884 4.420) 4.832 5.456 ( -4.352 3.269 -2.151) 5.852 6.606 ( 0.898 -1.182 2.737) 3.114 6.897 ( 3.107 -1.903 -9.343) 10.028 7.087 ( 10.412 0.113 -12.722) 16.440 7.483 ( 3.300 -8.269 -10.466) 13.741 7.688 ( -11.312 0.941 -13.180) 17.394 7.827 ( -3.089 3.181 -3.785) 5.830 8.598 ( -8.186 15.149 6.387) 18.366 8.935 ( 15.940 -7.241 5.926) 18.484 9.210 ( -6.970 -1.336 7.693) 10.467 17.289 ( 0.822 2.643 -1.147) 2.996 17.341 ( -1.936 0.082 3.223) 3.761 17.693 ( 0.784 -1.111 -2.377) 2.738 17.777 ( 0.324 -1.667 -1.065) 2.004 18.499 ( 2.506 -0.192 -2.771) 3.742 18.635 ( -0.739 0.710 -10.399) 10.450 ======================= Grid point 274 (145/226) ======================= q-point: (-0.27 0.18 0.18) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.306 ( -7.052 -13.754 -9.899) 18.355 1.668 ( -15.392 4.482 -15.058) 21.994 1.902 ( 10.988 4.509 -4.187) 12.594 2.417 ( 9.092 1.777 5.321) 10.684 2.707 ( -5.738 -3.343 5.144) 8.400 2.994 ( -1.484 2.763 16.713) 17.004 4.766 ( 9.812 -1.784 13.670) 16.921 5.041 ( 3.439 5.333 6.679) 9.212 5.444 ( -0.998 6.657 -2.086) 7.047 6.592 ( -1.167 -3.964 0.987) 4.248 6.786 ( -2.918 -6.243 -15.995) 17.416 7.017 ( -1.368 -9.005 -6.620) 11.260 7.388 ( -10.398 0.941 -15.984) 19.091 7.597 ( 12.431 4.613 -10.209) 16.734 7.818 ( 2.126 2.409 -4.718) 5.708 8.623 ( -9.093 7.403 8.471) 14.465 9.038 ( -2.988 -2.758 6.326) 7.520 9.226 ( 7.150 -1.202 4.989) 8.801 17.292 ( -2.010 1.613 -0.438) 2.614 17.316 ( -2.146 -1.464 1.595) 3.049 17.668 ( 1.486 -2.030 -3.776) 4.537 17.788 ( 1.181 0.678 -0.090) 1.365 18.526 ( 2.009 -0.450 -2.316) 3.099 18.617 ( 3.812 3.607 -9.556) 10.903 ======================= Grid point 275 (146/226) ======================= q-point: (-0.18 0.18 0.18) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( -6.315 -14.030 -5.489) 16.335 1.297 ( -21.463 6.177 -15.800) 27.358 2.108 ( 6.698 0.742 0.478) 6.756 2.494 ( -7.710 -8.245 10.825) 15.640 2.627 ( 5.645 1.709 2.148) 6.277 3.248 ( 12.674 10.282 6.547) 17.585 5.001 ( 11.859 -3.385 9.361) 15.483 5.249 ( 6.053 8.648 9.439) 14.160 5.531 ( 0.870 10.714 2.167) 10.965 6.412 ( -3.899 -12.869 -20.331) 24.376 6.603 ( -5.715 1.082 -1.211) 5.941 6.873 ( -4.237 -5.174 -4.331) 7.967 7.130 ( -7.127 -3.313 -12.687) 14.924 7.679 ( -1.402 0.692 -1.660) 2.280 8.009 ( 18.843 6.298 -9.892) 22.194 8.493 ( -13.838 -5.658 11.165) 18.659 9.018 ( -2.809 3.128 4.723) 6.323 9.358 ( 5.130 1.476 -0.479) 5.359 17.257 ( -2.885 -2.444 1.154) 3.953 17.265 ( -2.505 1.192 0.234) 2.784 17.666 ( 2.158 -0.058 -4.905) 5.359 17.812 ( 0.873 0.185 0.034) 0.893 18.531 ( 1.055 0.126 -2.810) 3.004 18.708 ( 6.896 3.906 -4.815) 9.273 ======================= Grid point 280 (147/226) ======================= q-point: ( 0.27 0.27 0.18) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( -0.609 -7.584 20.580) 21.941 1.258 ( 6.116 1.432 21.202) 22.113 1.645 ( -3.347 15.760 23.958) 28.871 2.580 ( -1.484 -3.748 -10.447) 11.198 2.718 ( -0.583 1.255 -9.574) 9.673 3.918 ( 1.256 -8.597 -22.518) 24.136 4.938 ( -0.489 -1.397 -14.437) 14.513 5.274 ( -0.737 10.528 -14.910) 18.267 5.545 ( -0.163 -4.305 -8.306) 9.357 6.487 ( 2.712 -2.626 5.641) 6.788 6.603 ( -2.608 1.607 5.662) 6.438 6.946 ( -7.557 -10.371 14.676) 19.495 7.080 ( 12.547 -7.860 18.096) 23.381 7.547 ( 0.021 5.255 2.809) 5.959 7.771 ( -4.979 18.105 13.872) 23.346 8.715 ( -6.581 -7.269 -12.284) 15.718 8.970 ( 5.475 5.836 -5.654) 9.798 9.551 ( 1.536 -12.514 -2.739) 12.902 17.136 ( 2.998 1.080 1.825) 3.672 17.187 ( -2.343 3.221 2.165) 4.533 17.698 ( 1.084 -5.073 -0.017) 5.188 17.793 ( -1.061 1.223 -0.050) 1.620 18.548 ( -0.200 -0.480 0.687) 0.861 19.242 ( -0.321 -5.987 -1.149) 6.104 ======================= Grid point 281 (148/226) ======================= q-point: ( 0.36 0.27 0.18) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( 4.846 -2.554 14.729) 15.715 1.543 ( 10.819 -0.684 17.022) 20.181 1.900 ( -1.599 15.165 19.216) 24.531 2.412 ( -5.508 -2.967 -8.208) 10.320 2.640 ( -1.711 -2.740 -6.735) 7.469 3.687 ( -5.117 -5.150 -17.847) 19.267 4.739 ( -9.243 0.681 -10.983) 14.371 5.328 ( 3.247 -2.345 -13.948) 14.512 5.497 ( 6.666 3.876 -8.867) 11.751 6.456 ( -9.262 -0.963 8.238) 12.433 6.601 ( 0.509 -4.416 6.622) 7.976 6.862 ( -1.315 -0.662 6.975) 7.129 7.402 ( 18.159 -8.788 14.163) 24.649 7.630 ( 5.162 1.757 3.417) 6.435 7.901 ( -8.039 12.804 8.867) 17.527 8.439 ( -3.836 -10.980 -8.891) 14.640 9.129 ( 7.600 5.956 -4.050) 10.471 9.363 ( -9.139 -5.892 -3.910) 11.555 17.190 ( -1.589 3.679 1.963) 4.463 17.233 ( 4.037 0.948 1.736) 4.496 17.679 ( 3.104 -5.216 -0.957) 6.145 17.769 ( -2.530 1.184 -0.320) 2.812 18.532 ( -0.746 -1.498 -0.329) 1.705 19.120 ( -4.110 -8.450 -1.464) 9.510 ======================= Grid point 282 (149/226) ======================= q-point: ( 0.45 0.27 0.18) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( 7.195 1.374 8.028) 10.868 1.757 ( 6.099 -3.785 6.361) 9.591 2.029 ( -2.216 -1.596 2.117) 3.455 2.319 ( -2.914 6.436 2.197) 7.398 2.586 ( 0.810 -0.238 4.043) 4.130 3.428 ( -10.757 -0.492 -11.652) 15.866 4.566 ( -5.793 2.037 -4.707) 7.737 5.194 ( -3.280 -6.518 -6.220) 9.588 5.640 ( 7.781 1.887 -8.102) 11.390 6.340 ( -5.522 1.522 3.721) 6.830 6.629 ( 2.644 -2.629 3.085) 4.840 6.908 ( 1.254 1.797 2.687) 3.467 7.605 ( 5.819 -0.739 1.757) 6.123 7.775 ( -4.679 -4.861 -6.323) 9.247 7.897 ( 17.721 -11.028 13.363) 24.784 8.316 ( -3.773 1.756 0.248) 4.169 9.113 ( -13.761 1.986 -2.915) 14.206 9.271 ( 4.834 4.666 -3.290) 7.480 17.215 ( -0.774 3.544 1.454) 3.908 17.315 ( 2.869 0.340 2.986) 4.155 17.682 ( 4.013 -4.895 -3.355) 7.164 17.739 ( -1.804 1.477 -0.268) 2.347 18.492 ( -0.864 -2.027 -1.727) 2.799 18.932 ( -5.454 -9.140 -3.226) 11.122 ======================= Grid point 283 (150/226) ======================= q-point: ( 0.55 0.27 0.18) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( 7.402 3.278 2.415) 8.448 1.759 ( -0.217 -5.008 -3.218) 5.957 1.880 ( -2.574 -12.386 -3.144) 13.035 2.399 ( -0.903 7.479 2.685) 7.997 2.685 ( 1.612 3.476 5.560) 6.753 3.201 ( -9.868 1.467 -0.539) 9.991 4.538 ( -2.040 5.401 4.935) 7.596 5.049 ( -3.403 -5.247 -1.372) 6.403 5.639 ( -3.177 -3.651 0.723) 4.894 6.398 ( 8.357 6.623 -9.032) 13.974 6.660 ( 2.192 -2.117 -0.182) 3.052 6.961 ( 1.755 1.703 0.758) 2.560 7.496 ( -3.371 -15.225 -12.971) 20.283 7.691 ( 3.484 -1.137 0.147) 3.667 8.220 ( -1.938 1.134 -1.629) 2.774 8.252 ( 13.433 -6.522 8.921) 17.394 8.943 ( -11.595 11.045 0.382) 16.018 9.340 ( 0.626 1.088 0.887) 1.537 17.252 ( 0.286 3.563 0.251) 3.583 17.373 ( 1.006 -0.299 4.491) 4.612 17.661 ( 2.089 -3.935 -5.408) 7.007 17.740 ( 0.580 0.235 0.014) 0.626 18.452 ( 0.089 -1.523 -2.467) 2.901 18.731 ( -4.385 -7.232 -6.319) 10.557 ======================= Grid point 284 (151/226) ======================= q-point: ( 0.64 0.27 0.18) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( -2.755 -8.892 -10.054) 13.702 1.589 ( 2.504 1.151 -1.655) 3.215 1.838 ( 5.409 -3.744 3.894) 7.644 2.388 ( -7.095 5.679 -4.842) 10.298 2.723 ( 0.172 1.797 -2.615) 3.178 3.145 ( -3.238 -2.137 14.146) 14.668 4.636 ( -1.141 5.205 14.594) 15.537 4.989 ( -0.416 1.124 2.399) 2.682 5.539 ( -4.421 -1.406 1.301) 4.818 6.559 ( 11.674 0.402 -16.081) 19.875 6.641 ( -0.801 -2.883 -1.197) 3.222 7.018 ( 2.414 2.588 -1.212) 3.741 7.244 ( 2.151 -13.187 -12.053) 17.995 7.714 ( -0.047 -0.141 -3.500) 3.503 7.999 ( -13.855 5.581 -11.790) 19.029 8.578 ( 20.210 -9.977 8.933) 24.244 8.920 ( -8.305 13.340 3.921) 16.196 9.330 ( -3.362 -1.471 5.141) 6.317 17.296 ( 0.797 3.547 -0.797) 3.722 17.392 ( -1.334 -0.986 4.109) 4.432 17.618 ( 2.002 -4.704 -5.587) 7.574 17.753 ( 0.541 0.283 0.458) 0.763 18.442 ( 1.681 -0.394 -2.531) 3.064 18.581 ( -1.150 -2.901 -9.119) 9.638 ======================= Grid point 285 (152/226) ======================= q-point: (-0.27 0.27 0.18) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( -8.576 -9.254 -5.530) 13.775 1.710 ( 8.381 3.291 -5.383) 10.490 1.868 ( -5.307 3.950 -7.180) 9.763 2.337 ( 2.323 1.882 1.283) 3.253 2.732 ( 1.513 -0.231 -1.634) 2.239 3.137 ( -4.145 -7.252 17.522) 19.411 4.752 ( 1.099 -0.569 16.585) 16.631 5.087 ( 2.702 7.753 3.757) 9.029 5.529 ( -0.548 7.320 2.946) 7.909 6.435 ( 2.568 -17.425 -21.597) 27.868 6.663 ( -0.280 1.332 1.875) 2.317 7.016 ( -2.618 -1.133 -0.203) 2.860 7.270 ( 14.289 1.671 -13.559) 19.769 7.569 ( -11.563 4.322 -15.265) 19.632 7.834 ( -3.586 2.884 -4.340) 6.325 8.814 ( 9.303 -5.220 1.245) 10.740 8.931 ( -3.346 3.229 7.517) 8.839 9.294 ( -3.528 0.543 8.464) 9.186 17.328 ( -0.466 2.468 -0.986) 2.698 17.360 ( -2.932 -1.683 2.354) 4.119 17.578 ( 2.517 -3.710 -4.804) 6.571 17.774 ( 1.001 0.567 0.302) 1.189 18.465 ( 2.619 -0.060 -2.238) 3.445 18.533 ( 2.725 2.364 -9.420) 10.087 ======================= Grid point 286 (153/226) ======================= q-point: (-0.18 0.27 0.18) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.044 ( -9.389 -3.442 1.677) 10.140 1.617 ( -17.189 8.253 -14.011) 23.662 1.925 ( 12.537 2.755 -4.500) 13.602 2.458 ( 7.372 -2.479 1.482) 7.918 2.696 ( -7.227 -5.199 7.568) 11.685 3.166 ( 7.043 -3.662 12.283) 14.625 4.880 ( 5.280 -2.179 10.973) 12.371 5.239 ( 5.991 4.281 2.939) 7.928 5.684 ( 0.701 12.017 5.178) 13.104 6.159 ( 0.825 -13.103 -17.365) 21.770 6.655 ( -2.316 -0.117 2.105) 3.132 6.947 ( -5.089 0.560 -0.755) 5.175 7.214 ( -11.911 2.557 -17.575) 21.384 7.569 ( 13.928 5.915 -10.670) 18.516 7.813 ( 1.478 2.443 -4.352) 5.205 8.729 ( -11.721 -3.939 4.166) 13.048 8.996 ( 5.220 -5.995 3.175) 8.560 9.356 ( 1.391 4.682 7.038) 8.566 17.293 ( -3.079 -1.797 0.649) 3.624 17.315 ( -2.257 -0.008 0.337) 2.282 17.587 ( 3.609 0.454 -4.926) 6.124 17.797 ( 0.973 0.204 -0.045) 0.995 18.492 ( 1.931 0.593 -2.306) 3.065 18.600 ( 6.187 4.778 -6.574) 10.214 ======================= Grid point 291 (154/226) ======================= q-point: ( 0.27 0.36 0.18) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( -4.493 -5.774 18.054) 19.480 1.351 ( -3.591 -4.129 20.547) 21.263 1.978 ( -1.667 14.107 13.774) 19.787 2.492 ( 2.596 1.136 -4.811) 5.583 2.687 ( -0.389 1.132 -8.926) 9.006 3.613 ( 7.777 -9.775 -17.920) 21.844 4.746 ( 8.594 0.819 -12.782) 15.425 5.423 ( 2.691 -1.782 -8.034) 8.659 5.465 ( -14.654 7.761 -14.976) 22.344 6.364 ( 10.378 -7.416 11.024) 16.859 6.706 ( -2.563 3.261 2.616) 4.904 6.869 ( 5.517 -2.662 9.631) 11.414 7.210 ( -13.722 -12.149 17.423) 25.288 7.581 ( -0.937 1.564 0.142) 1.829 8.152 ( -4.768 20.985 13.734) 25.529 8.631 ( -1.974 -7.007 -15.890) 17.478 8.897 ( 1.708 -4.217 -10.204) 11.172 9.341 ( 8.156 -6.231 4.403) 11.168 17.116 ( 0.891 0.080 1.894) 2.095 17.271 ( -2.132 2.248 1.777) 3.572 17.641 ( -0.583 -5.034 -0.012) 5.068 17.815 ( -0.379 1.884 -0.703) 2.046 18.543 ( 0.353 -0.916 -0.184) 0.998 19.133 ( 3.746 -7.731 -1.886) 8.795 ======================= Grid point 292 (155/226) ======================= q-point: ( 0.36 0.36 0.18) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.083 ( 0.490 -5.759 17.891) 18.801 1.478 ( 6.348 -3.631 18.295) 19.702 2.118 ( -1.642 5.414 1.632) 5.888 2.496 ( -4.447 6.384 2.988) 8.334 2.608 ( -1.622 -1.036 -7.073) 7.330 3.551 ( 3.905 -2.894 -13.253) 14.116 4.788 ( 0.927 3.001 -12.127) 12.527 5.222 ( -6.528 3.198 -16.174) 17.733 5.401 ( 2.337 0.583 -7.782) 8.146 6.509 ( 5.062 -3.304 6.924) 9.191 6.695 ( -5.446 -0.365 7.129) 8.979 6.931 ( -3.589 -8.379 12.702) 15.634 7.133 ( 9.607 -7.664 15.101) 19.470 7.603 ( 1.539 1.660 0.533) 2.325 8.150 ( -12.823 -9.279 -11.971) 19.845 8.403 ( -1.772 5.568 4.729) 7.517 9.011 ( 9.207 4.961 -5.215) 11.687 9.373 ( -0.286 -3.652 0.713) 3.732 17.176 ( 3.881 0.877 1.260) 4.173 17.270 ( -1.840 2.605 1.548) 3.545 17.587 ( 0.578 -5.579 0.004) 5.609 17.805 ( -1.374 0.470 -0.681) 1.604 18.525 ( -0.569 -1.999 -0.398) 2.116 19.051 ( -0.563 -11.374 -2.158) 11.591 ======================= Grid point 293 (156/226) ======================= q-point: ( 0.45 0.36 0.18) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.196 ( 5.458 -2.390 12.957) 14.261 1.651 ( 6.589 -5.982 11.447) 14.499 2.021 ( -5.123 -5.742 -7.556) 10.784 2.449 ( -4.157 1.501 -2.218) 4.945 2.641 ( 0.664 6.109 6.399) 8.872 3.514 ( -3.499 6.097 -7.340) 10.163 4.693 ( -7.345 5.765 -5.127) 10.652 5.105 ( 0.796 -3.359 -10.876) 11.410 5.454 ( 7.852 3.884 -10.975) 14.042 6.540 ( -10.354 -2.158 9.637) 14.309 6.595 ( 0.772 -4.618 6.941) 8.372 6.915 ( 0.648 -0.997 3.328) 3.534 7.391 ( 16.768 -10.098 14.136) 24.145 7.665 ( 2.167 -4.833 -3.430) 6.311 7.720 ( -5.191 -14.632 -9.577) 18.242 8.477 ( -5.019 9.523 4.101) 11.519 9.179 ( 7.851 3.567 -3.053) 9.148 9.294 ( -6.652 2.112 -1.218) 7.085 17.265 ( 3.866 0.681 0.719) 3.991 17.282 ( -0.702 2.890 2.409) 3.827 17.551 ( 2.206 -5.748 -1.328) 6.298 17.778 ( -1.575 0.461 -0.697) 1.783 18.481 ( -1.291 -2.439 -1.151) 2.990 18.878 ( -3.141 -13.073 -2.642) 13.702 ======================= Grid point 294 (157/226) ======================= q-point: ( 0.55 0.36 0.18) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.356 ( 6.680 -0.558 7.967) 10.412 1.692 ( 1.970 -7.380 2.686) 8.097 1.798 ( -5.967 -9.116 -7.340) 13.137 2.451 ( 1.797 1.908 2.728) 3.783 2.717 ( 0.413 1.494 -0.003) 1.550 3.429 ( -11.355 8.839 -3.249) 14.752 4.686 ( -2.057 9.376 6.340) 11.504 5.027 ( -0.653 -1.948 -3.856) 4.370 5.561 ( 6.878 1.086 -8.513) 10.998 6.382 ( -6.712 -3.274 3.738) 8.351 6.641 ( 1.511 -0.116 3.546) 3.856 6.929 ( 1.685 -2.155 -1.972) 3.372 7.313 ( -4.571 -17.834 -11.664) 21.794 7.603 ( 7.945 -3.577 4.401) 9.762 7.867 ( 16.567 -7.596 9.358) 20.488 8.431 ( -9.647 6.177 -4.193) 12.199 9.210 ( -7.901 8.076 0.063) 11.298 9.302 ( 4.788 0.999 -0.329) 4.902 17.298 ( -0.709 3.756 0.074) 3.823 17.356 ( 3.177 -0.618 4.439) 5.494 17.522 ( 2.799 -5.817 -4.176) 7.688 17.762 ( -0.821 1.176 -0.074) 1.436 18.429 ( -0.817 -2.033 -1.507) 2.659 18.673 ( -3.413 -11.467 -4.195) 12.678 ======================= Grid point 295 (158/226) ======================= q-point: ( 0.64 0.36 0.18) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.465 ( 2.088 -2.316 -1.721) 3.562 1.575 ( -4.420 -5.867 -3.207) 8.015 1.707 ( 6.776 -5.524 5.056) 10.099 2.502 ( -1.977 3.522 -1.559) 4.329 2.692 ( 0.013 -1.802 -5.439) 5.729 3.298 ( -8.984 2.399 3.205) 9.836 4.809 ( -1.006 3.107 12.195) 12.625 5.053 ( -0.095 9.928 5.287) 11.249 5.581 ( -0.292 -0.904 0.265) 0.987 6.281 ( 1.878 -6.860 -13.901) 15.615 6.682 ( 0.003 2.625 3.054) 4.027 6.902 ( 5.370 -6.249 -9.059) 12.245 7.092 ( -1.846 -6.392 -2.488) 7.103 7.677 ( 2.515 -0.379 -0.832) 2.676 8.149 ( 12.939 -7.077 2.896) 15.030 8.250 ( -6.110 1.677 -3.510) 7.243 9.178 ( -6.796 9.367 0.163) 11.573 9.359 ( 1.111 -1.278 3.700) 4.069 17.328 ( -0.277 4.571 -0.787) 4.647 17.409 ( 0.557 -2.402 5.022) 5.594 17.483 ( 3.047 -5.169 -5.375) 8.056 17.767 ( -0.446 1.159 0.680) 1.416 18.403 ( 0.818 -1.275 -1.337) 2.020 18.508 ( -1.255 -5.714 -6.285) 8.586 ======================= Grid point 296 (159/226) ======================= q-point: (-0.27 0.36 0.18) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( -6.526 -3.368 -3.255) 8.033 1.574 ( 5.815 -0.450 -2.527) 6.357 1.850 ( 6.851 -0.177 3.064) 7.507 2.419 ( -7.367 4.392 -5.236) 10.049 2.655 ( 2.608 -2.441 -4.688) 5.894 3.213 ( -4.122 -6.729 9.990) 12.730 4.870 ( -1.306 -1.195 15.394) 15.495 5.165 ( -2.796 4.936 4.375) 7.164 5.647 ( 1.051 10.346 7.067) 12.573 6.089 ( 2.370 -13.164 -20.851) 24.772 6.734 ( -1.673 4.045 3.469) 5.586 6.956 ( 12.915 0.229 -12.165) 17.744 7.033 ( -0.875 -1.703 0.028) 1.915 7.664 ( -3.344 1.659 -6.624) 7.603 7.966 ( -11.790 6.162 -11.462) 17.560 8.475 ( 18.479 -10.913 8.334) 23.022 9.132 ( -7.560 4.347 0.776) 8.755 9.378 ( -0.786 -0.397 5.884) 5.950 17.354 ( -0.933 1.033 -1.649) 2.157 17.394 ( -0.529 0.512 -0.156) 0.752 17.468 ( 2.239 -4.355 -0.551) 4.928 17.773 ( -0.040 0.431 0.402) 0.590 18.416 ( 2.352 0.021 -1.323) 2.698 18.455 ( 2.067 1.509 -6.634) 7.110 ======================= Grid point 297 (160/226) ======================= q-point: (-0.18 0.36 0.18) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( -6.427 3.511 3.392) 8.071 1.700 ( 10.096 1.890 -4.547) 11.232 1.859 ( -7.426 6.063 -10.194) 13.994 2.359 ( 0.288 -0.638 0.084) 0.705 2.705 ( 5.835 -1.110 0.849) 6.000 3.123 ( -2.512 -13.363 14.824) 20.115 4.926 ( -2.889 -1.315 14.779) 15.116 5.182 ( 3.915 0.477 -0.442) 3.968 5.624 ( -0.397 -15.733 -16.647) 22.909 6.124 ( 3.890 19.886 8.326) 21.907 6.734 ( -3.459 2.660 1.769) 4.708 6.995 ( -1.394 -1.614 0.567) 2.207 7.154 ( 12.264 3.838 -14.071) 19.056 7.506 ( -8.942 8.575 -14.945) 19.412 7.842 ( -3.703 3.090 -3.642) 6.043 8.670 ( 10.869 -10.433 2.553) 15.281 9.016 ( -8.304 -2.195 5.875) 10.406 9.415 ( 0.834 1.809 4.446) 4.872 17.306 ( -1.068 -1.922 -2.756) 3.525 17.372 ( -3.863 -0.969 2.933) 4.946 17.500 ( 4.500 2.057 -3.451) 6.033 17.783 ( 0.739 -0.030 -0.036) 0.740 18.457 ( 1.851 1.670 -1.290) 2.807 18.515 ( 5.138 5.264 -5.622) 9.258 ======================= Grid point 302 (161/226) ======================= q-point: ( 0.27 0.45 0.18) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( -6.014 -2.603 11.083) 12.876 1.547 ( -11.551 -7.870 17.817) 22.645 2.068 ( 4.541 3.399 -1.364) 5.833 2.489 ( 4.034 7.204 -1.179) 8.340 2.651 ( 0.978 1.554 -3.355) 3.824 3.294 ( 8.333 -5.646 -8.504) 13.177 4.567 ( 5.915 1.670 -6.301) 8.802 5.283 ( 4.779 -2.008 -5.788) 7.770 5.672 ( -5.961 2.526 -6.722) 9.333 6.219 ( 0.961 -2.844 2.947) 4.207 6.779 ( -0.382 4.456 0.457) 4.495 6.866 ( -0.522 -0.492 4.623) 4.678 7.415 ( -11.972 -11.296 12.011) 20.376 7.630 ( -3.007 1.268 1.255) 3.496 8.442 ( -1.307 -9.134 -3.383) 9.828 8.498 ( -0.472 7.154 -6.305) 9.547 8.656 ( 8.453 0.459 -6.095) 10.431 9.282 ( 1.361 0.456 6.211) 6.375 17.132 ( -1.505 -0.201 1.635) 2.231 17.320 ( -1.057 -0.315 2.369) 2.613 17.621 ( -1.926 -2.882 -0.596) 3.517 17.837 ( -0.509 2.367 -1.776) 3.002 18.515 ( 0.905 -0.959 -1.801) 2.232 18.948 ( 5.889 -8.524 -3.715) 11.007 ======================= Grid point 303 (162/226) ======================= q-point: ( 0.36 0.45 0.18) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.168 ( -4.107 -5.735 16.159) 17.631 1.488 ( -0.535 -5.921 17.302) 18.295 2.110 ( 1.166 -1.468 -6.576) 6.838 2.574 ( 1.071 0.757 -5.387) 5.544 2.635 ( -1.419 2.821 -0.130) 3.160 3.391 ( 7.905 5.462 -4.427) 10.580 4.673 ( 6.747 4.903 -5.669) 10.084 5.271 ( 0.036 -2.492 -6.791) 7.234 5.439 ( -13.998 8.121 -16.713) 23.264 6.352 ( 11.639 -8.514 11.987) 18.752 6.784 ( -1.668 1.570 1.974) 3.024 6.926 ( 2.526 -2.211 7.501) 8.218 7.184 ( -10.300 -10.859 13.967) 20.471 7.618 ( -0.903 1.672 0.933) 2.117 8.013 ( -7.501 -25.879 -17.686) 32.230 8.625 ( -2.602 11.995 5.434) 13.423 8.854 ( 9.661 6.777 -4.691) 12.699 9.355 ( 1.737 0.574 3.737) 4.160 17.143 ( 1.397 0.464 1.612) 2.183 17.314 ( -0.578 -0.180 1.837) 1.934 17.557 ( -1.933 -2.793 -0.165) 3.400 17.826 ( -1.257 0.587 -1.338) 1.927 18.502 ( 0.330 -2.174 -1.195) 2.502 18.893 ( 2.572 -12.948 -3.301) 13.607 ======================= Grid point 304 (163/226) ======================= q-point: ( 0.45 0.45 0.18) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( 1.226 -4.408 15.303) 15.972 1.565 ( 4.121 -7.329 13.240) 15.684 1.999 ( -3.859 -5.707 -7.807) 10.412 2.482 ( -3.425 -1.700 -4.892) 6.209 2.681 ( 2.099 1.176 -0.830) 2.545 3.584 ( 4.022 13.647 -2.730) 14.487 4.809 ( 2.149 9.027 -0.291) 9.283 5.072 ( -9.684 1.632 -13.225) 16.473 5.336 ( 2.351 3.167 -9.626) 10.403 6.509 ( 7.564 -6.972 8.270) 13.199 6.759 ( -7.342 -1.807 6.179) 9.765 6.916 ( -2.939 -7.880 9.849) 12.951 7.139 ( 8.892 -7.788 9.868) 15.398 7.520 ( -6.775 -21.812 -12.508) 26.041 7.658 ( 0.795 0.518 -0.532) 1.088 8.685 ( -5.381 7.890 2.959) 9.998 9.046 ( 9.070 5.096 -4.804) 11.459 9.386 ( -1.638 2.607 1.407) 3.385 17.202 ( 3.591 0.528 0.870) 3.733 17.326 ( 0.370 0.196 2.827) 2.858 17.500 ( -1.661 -2.211 -0.268) 2.779 17.797 ( -1.275 -0.089 -1.074) 1.669 18.467 ( -0.733 -2.568 -1.210) 2.932 18.750 ( -0.334 -15.292 -2.383) 15.481 ======================= Grid point 305 (164/226) ======================= q-point: ( 0.55 0.45 0.18) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( 5.079 -4.039 12.499) 14.083 1.591 ( 1.573 -9.602 5.148) 11.008 1.801 ( -6.465 -5.737 -6.416) 10.764 2.438 ( 1.494 -0.084 1.056) 1.831 2.692 ( 0.771 -1.098 -3.990) 4.209 3.678 ( -6.881 12.678 -6.942) 16.009 4.836 ( -4.341 5.242 -2.306) 7.186 5.036 ( 2.121 9.174 4.806) 10.572 5.395 ( 6.992 4.173 -10.166) 13.025 6.520 ( -7.616 -12.893 7.301) 16.660 6.633 ( -0.901 -0.419 6.256) 6.334 6.833 ( -0.674 -8.935 -5.054) 10.287 7.188 ( -3.682 -11.114 -4.989) 12.727 7.353 ( 15.946 -10.216 12.635) 22.766 7.711 ( 3.624 0.394 1.192) 3.835 8.626 ( -8.894 5.039 -3.097) 10.681 9.200 ( 7.057 3.001 -3.813) 8.564 9.380 ( -3.860 4.630 1.487) 6.209 17.275 ( 4.022 0.221 -0.647) 4.080 17.363 ( 1.184 -0.708 5.105) 5.288 17.452 ( -1.754 -0.480 -1.248) 2.206 17.778 ( -0.349 0.482 -0.509) 0.783 18.414 ( -1.165 -3.093 -1.476) 3.620 18.573 ( -1.504 -13.057 -1.473) 13.226 ======================= Grid point 306 (165/226) ======================= q-point: ( 0.64 0.45 0.18) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( 3.098 -5.674 6.651) 9.275 1.546 ( 2.514 -7.403 2.873) 8.330 1.621 ( -3.561 -3.022 -2.453) 5.275 2.509 ( 2.915 1.223 1.395) 3.456 2.641 ( -0.819 -1.834 -5.858) 6.193 3.530 ( -13.507 6.003 -7.417) 16.538 4.839 ( 1.776 0.275 0.236) 1.813 5.253 ( 0.345 12.344 13.285) 18.138 5.524 ( 7.555 8.309 -5.358) 12.443 6.207 ( -10.757 -15.939 -3.865) 19.613 6.667 ( 2.545 -3.780 -1.423) 4.774 6.745 ( 2.218 -1.470 0.370) 2.687 7.077 ( -1.861 -2.992 0.320) 3.538 7.576 ( 10.176 -5.325 5.862) 12.894 7.828 ( 11.745 -5.721 6.023) 14.386 8.452 ( -12.304 5.171 -8.754) 15.961 9.287 ( 2.008 2.037 -3.510) 4.528 9.374 ( -2.354 2.779 3.087) 4.774 17.324 ( 3.143 -0.956 -3.171) 4.566 17.381 ( 0.241 -3.864 2.243) 4.475 17.444 ( -0.993 3.778 3.063) 4.964 17.786 ( 0.065 0.778 0.357) 0.858 18.350 ( 0.492 -5.487 -1.704) 5.767 18.456 ( -1.041 -3.626 -0.999) 3.902 ======================= Grid point 307 (166/226) ======================= q-point: ( 0.73 0.45 0.18) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( -1.062 -4.387 -1.067) 4.638 1.499 ( -0.550 0.745 -1.527) 1.786 1.723 ( 9.980 -2.825 8.928) 13.685 2.505 ( -2.040 -0.016 -5.021) 5.420 2.593 ( -1.133 0.496 -3.958) 4.147 3.315 ( -9.837 -1.553 -1.126) 10.023 4.904 ( 3.609 0.641 5.224) 6.382 5.310 ( -5.302 -3.477 6.684) 9.213 5.710 ( -3.057 -7.224 -2.801) 8.329 5.942 ( 2.886 12.645 -3.241) 13.369 6.714 ( 7.432 0.524 -5.661) 9.357 6.817 ( 1.331 4.966 4.893) 7.097 7.024 ( -1.307 -2.943 -0.199) 3.226 7.658 ( 1.853 0.064 -1.521) 2.398 8.048 ( 12.947 -6.871 3.738) 15.127 8.239 ( -8.451 3.341 -5.773) 10.766 9.262 ( -4.301 1.234 -1.505) 4.721 9.393 ( 0.793 -1.044 2.522) 2.842 17.307 ( 1.180 -4.006 -4.064) 5.827 17.387 ( 1.412 0.968 -0.093) 1.715 17.480 ( -1.905 1.961 4.823) 5.544 17.781 ( -0.673 -0.734 0.035) 0.996 18.346 ( 3.920 0.053 -1.203) 4.100 18.436 ( -0.078 1.606 -1.030) 1.909 ======================= Grid point 308 (167/226) ======================= q-point: (-0.18 0.45 0.18) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.325 ( -0.214 1.937 0.093) 1.951 1.554 ( 5.090 3.572 -2.457) 6.686 1.884 ( 3.719 1.269 0.282) 3.940 2.443 ( -5.114 2.785 -2.315) 6.267 2.564 ( 4.522 -2.325 -0.584) 5.118 3.149 ( -5.784 -9.246 6.147) 12.519 5.040 ( 5.183 1.830 8.564) 10.176 5.157 ( -7.499 -9.041 3.426) 12.236 5.381 ( -5.922 -15.643 -13.250) 21.339 6.328 ( 8.479 25.597 5.909) 27.604 6.783 ( 2.149 1.744 -5.158) 5.853 6.958 ( 1.702 1.255 -0.814) 2.266 6.995 ( 3.862 4.860 3.225) 6.995 7.631 ( -4.317 4.204 -7.780) 9.841 7.974 ( -9.643 8.057 -9.620) 15.826 8.353 ( 15.246 -11.705 8.302) 20.937 9.161 ( -7.064 -1.817 2.371) 7.670 9.405 ( 1.811 -2.470 0.652) 3.131 17.266 ( 0.654 -2.342 -3.167) 3.993 17.419 ( 0.943 -3.138 2.547) 4.150 17.481 ( -2.061 5.784 -0.441) 6.156 17.768 ( 0.460 -0.936 -0.165) 1.055 18.452 ( 2.743 4.152 0.916) 5.060 18.458 ( 2.862 4.368 -3.506) 6.290 ======================= Grid point 313 (168/226) ======================= q-point: ( 0.27 0.55 0.18) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.364 ( -7.564 -1.205 4.615) 8.942 1.751 ( -9.227 -8.262 8.960) 15.287 1.977 ( 4.969 0.649 -3.610) 6.176 2.412 ( 7.761 5.509 -5.675) 11.081 2.582 ( 2.190 -5.663 -3.660) 7.090 3.182 ( 3.634 3.021 5.944) 7.594 4.519 ( 1.543 4.610 2.259) 5.361 5.164 ( 5.144 0.637 -2.044) 5.571 5.588 ( 8.007 -9.403 6.546) 13.978 6.367 ( -14.204 8.687 -12.010) 20.529 6.823 ( -0.022 5.816 -2.750) 6.434 6.902 ( -2.045 -1.547 1.658) 3.053 7.515 ( -5.678 -6.610 -0.598) 8.735 7.724 ( -4.616 -0.637 2.798) 5.436 8.106 ( 8.526 -20.686 -11.680) 25.240 8.375 ( 3.064 -1.180 -6.991) 7.724 8.849 ( -3.384 16.704 7.816) 18.750 9.304 ( 1.038 -1.454 6.029) 6.288 17.180 ( -2.877 0.269 0.974) 3.050 17.337 ( -0.726 -2.200 2.962) 3.760 17.637 ( -2.413 -0.649 -1.160) 2.755 17.846 ( 0.702 1.661 -2.384) 2.990 18.479 ( 0.326 -0.322 -3.470) 3.500 18.737 ( 5.200 -7.423 -6.232) 10.999 ======================= Grid point 314 (169/226) ======================= q-point: ( 0.36 0.55 0.18) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( -4.721 -4.076 10.136) 11.901 1.590 ( -6.716 -7.366 13.099) 16.460 2.004 ( 2.891 -3.356 -7.047) 8.323 2.512 ( 3.327 0.628 -3.358) 4.768 2.576 ( 4.092 -1.997 -6.276) 7.754 3.340 ( 6.376 8.208 1.098) 10.451 4.647 ( 3.493 9.062 3.979) 10.495 5.200 ( 1.665 0.341 -3.616) 3.996 5.615 ( -4.629 0.328 -5.995) 7.582 6.205 ( -0.487 -2.051 0.971) 2.321 6.827 ( -1.526 -0.055 -0.009) 1.527 6.914 ( 1.833 1.052 1.264) 2.463 7.308 ( -8.271 -10.518 2.111) 13.546 7.677 ( -1.938 0.432 0.185) 1.994 7.772 ( -7.152 -26.349 -3.150) 27.483 8.551 ( 13.233 6.229 -9.589) 17.489 8.959 ( -4.478 10.985 5.562) 13.102 9.364 ( 1.822 1.328 4.518) 5.049 17.161 ( -1.162 0.772 2.299) 2.689 17.319 ( -0.384 -2.295 2.257) 3.242 17.582 ( -2.624 -0.032 -0.969) 2.798 17.840 ( -0.794 0.423 -2.008) 2.200 18.461 ( 0.785 -1.678 -2.326) 2.974 18.684 ( 3.587 -11.902 -4.742) 13.305 ======================= Grid point 315 (170/226) ======================= q-point: ( 0.45 0.55 0.18) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( -2.163 -4.883 12.077) 13.205 1.546 ( -0.761 -6.712 13.102) 14.741 1.929 ( -0.344 -6.821 -6.567) 9.474 2.486 ( -2.462 -1.490 -4.841) 5.631 2.604 ( 4.307 -0.603 -3.229) 5.417 3.571 ( 9.542 11.332 -5.273) 15.725 4.867 ( 4.940 12.591 7.581) 15.505 5.190 ( -3.746 2.641 -4.065) 6.127 5.381 ( -12.662 6.523 -15.396) 20.973 6.290 ( 11.049 -13.265 9.833) 19.868 6.813 ( -0.681 -0.237 0.343) 0.798 6.952 ( 3.265 -3.265 1.251) 4.784 7.065 ( -7.857 -11.561 1.447) 14.053 7.389 ( -8.242 -20.201 3.624) 22.117 7.676 ( -0.964 1.943 1.583) 2.685 8.752 ( 7.375 4.328 -4.128) 9.495 9.001 ( -1.690 7.097 -0.482) 7.311 9.431 ( 0.729 3.009 1.953) 3.660 17.181 ( 0.634 1.080 2.296) 2.616 17.317 ( 0.975 -2.383 3.338) 4.216 17.539 ( -2.603 1.507 -0.718) 3.092 17.810 ( -1.311 -0.339 -1.472) 2.000 18.441 ( 0.088 -1.925 -1.495) 2.439 18.570 ( 1.559 -14.573 -2.409) 14.853 ======================= Grid point 316 (171/226) ======================= q-point: ( 0.55 0.55 0.18) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.261 ( 1.894 -5.981 11.757) 13.326 1.540 ( -1.077 -7.934 9.784) 12.642 1.791 ( -3.228 -6.344 -5.743) 9.146 2.420 ( 0.117 -0.447 -1.502) 1.572 2.640 ( 1.758 0.177 -2.925) 3.417 3.767 ( 4.271 10.601 -11.356) 16.112 4.969 ( -11.945 4.645 -10.543) 16.595 5.150 ( 4.143 12.429 5.677) 14.278 5.328 ( 1.863 7.346 -0.736) 7.614 6.343 ( 7.504 -19.274 2.550) 20.840 6.727 ( -3.625 -2.579 -5.148) 6.804 6.846 ( -10.980 -8.123 10.645) 17.317 7.050 ( 11.018 -6.417 5.473) 13.875 7.186 ( -2.058 -8.894 7.792) 12.002 7.697 ( 0.356 1.416 1.120) 1.840 8.783 ( -5.497 2.508 -1.220) 6.163 9.088 ( 6.426 5.133 -5.174) 9.717 9.463 ( -1.175 2.828 0.003) 3.062 17.224 ( 1.846 0.939 0.548) 2.143 17.341 ( 1.591 -3.509 5.620) 6.814 17.518 ( -2.370 3.987 -0.334) 4.650 17.781 ( -0.506 -0.220 -0.809) 0.979 18.380 ( -1.603 -6.892 -1.750) 7.289 18.465 ( 1.085 -7.922 1.162) 8.080 ======================= Grid point 317 (172/226) ======================= q-point: ( 0.64 0.55 0.18) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( 3.977 -7.528 12.691) 15.282 1.461 ( -0.998 -9.688 5.426) 11.149 1.652 ( -3.900 -1.114 -5.064) 6.488 2.470 ( 3.835 1.725 1.061) 4.338 2.625 ( -1.547 0.578 -3.450) 3.825 3.729 ( -8.573 5.885 -14.694) 18.001 4.831 ( -2.227 3.878 -5.350) 6.973 5.312 ( 4.324 3.613 -2.615) 6.212 5.519 ( 5.426 9.866 3.789) 11.880 6.197 ( -4.645 -12.640 2.568) 13.710 6.673 ( -6.050 -4.623 7.366) 10.594 6.702 ( 2.516 -0.616 3.580) 4.419 7.093 ( -1.786 -2.384 2.345) 3.791 7.313 ( 15.155 -8.155 11.270) 20.572 7.728 ( 1.805 -0.236 1.303) 2.239 8.647 ( -10.331 3.830 -6.164) 12.625 9.212 ( 5.660 2.241 -2.381) 6.537 9.444 ( -2.462 0.790 -1.833) 3.169 17.255 ( 1.402 -0.660 -1.312) 2.030 17.358 ( 0.772 -3.370 4.628) 5.777 17.537 ( -1.566 5.103 1.922) 5.674 17.781 ( 0.721 -0.240 -0.067) 0.762 18.282 ( -0.367 -6.019 0.915) 6.099 18.443 ( 0.252 -1.441 1.424) 2.041 ======================= Grid point 318 (173/226) ======================= q-point: (-0.27 -0.45 0.18) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( -0.515 -10.790 3.636) 11.398 1.558 ( 10.430 -4.054 12.011) 16.416 1.580 ( -3.144 4.163 -2.513) 5.791 2.514 ( -2.576 0.475 -1.910) 3.241 2.597 ( 0.627 3.060 -2.997) 4.329 3.477 ( -12.433 0.142 -11.788) 17.133 4.867 ( 3.299 3.186 -0.750) 4.648 5.304 ( -2.196 -7.518 -3.090) 8.420 5.635 ( 3.444 -3.909 -6.962) 8.696 6.098 ( -4.870 6.973 10.264) 13.330 6.682 ( 0.892 5.937 5.255) 7.978 6.825 ( 6.440 3.676 7.088) 10.258 7.040 ( -3.019 -1.887 1.212) 3.761 7.551 ( 11.326 -4.432 6.382) 13.735 7.790 ( 7.495 -4.937 4.819) 10.187 8.449 ( -12.313 6.599 -10.031) 17.198 9.283 ( 1.678 -0.314 0.423) 1.759 9.378 ( -1.773 -2.633 -3.542) 4.756 17.241 ( 0.278 -2.234 -1.752) 2.853 17.367 ( 0.928 -1.874 2.089) 2.956 17.576 ( -1.633 4.427 3.419) 5.827 17.775 ( -0.355 -2.113 -0.356) 2.172 18.296 ( 3.105 2.147 2.636) 4.604 18.456 ( 0.066 1.506 1.353) 2.026 ======================= Grid point 319 (174/226) ======================= q-point: (-0.18 -0.45 0.18) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( 4.489 -7.433 -0.388) 8.692 1.603 ( -1.330 9.912 -0.735) 10.027 1.789 ( 10.277 -2.596 10.177) 14.694 2.443 ( -1.942 0.439 -2.552) 3.237 2.602 ( -2.888 3.278 -2.353) 4.962 3.209 ( -8.646 -5.498 -5.639) 11.695 4.934 ( 2.228 -4.902 -5.785) 7.903 5.134 ( -1.035 -5.522 -1.683) 5.864 5.486 ( -12.646 -7.595 10.671) 18.207 6.291 ( 13.182 12.475 -10.108) 20.774 6.792 ( 0.733 5.031 4.043) 6.496 6.935 ( -1.577 -4.704 -0.777) 5.021 7.125 ( 2.846 18.266 13.996) 23.187 7.649 ( 1.362 1.325 -2.061) 2.803 7.965 ( 14.074 -8.710 7.184) 18.043 8.256 ( -10.615 7.958 -8.652) 15.839 9.248 ( -4.206 -1.728 0.137) 4.549 9.317 ( 2.120 -6.843 -2.097) 7.464 17.218 ( 0.656 -1.563 -1.312) 2.144 17.379 ( 1.556 -2.195 1.423) 3.043 17.595 ( -3.592 4.794 1.711) 6.230 17.744 ( 0.360 -1.969 -0.327) 2.028 18.430 ( 4.422 6.463 1.135) 7.913 18.487 ( -0.091 3.503 1.353) 3.756 ======================= Grid point 324 (175/226) ======================= q-point: ( 0.27 0.64 0.18) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( -7.053 -0.933 0.015) 7.115 1.734 ( 1.294 -8.418 -5.383) 10.075 1.864 ( 6.225 1.501 -10.100) 11.958 2.341 ( 3.579 5.648 2.404) 7.105 2.535 ( -5.393 -5.727 1.803) 8.071 3.194 ( 4.521 -1.013 12.569) 13.396 4.624 ( -2.395 7.663 6.965) 10.629 5.109 ( 5.181 4.894 5.563) 9.041 5.396 ( 4.725 -10.626 3.338) 12.099 6.598 ( -7.845 6.055 -6.858) 12.052 6.853 ( -0.392 1.538 -7.540) 7.706 6.953 ( -7.274 5.006 -6.973) 11.251 7.460 ( -0.708 -10.159 -13.353) 16.794 7.649 ( 7.090 -6.789 -7.831) 12.557 7.841 ( 4.784 3.958 -1.855) 6.480 8.348 ( -7.600 -10.242 4.839) 13.641 9.090 ( -2.433 13.328 4.580) 14.302 9.277 ( 3.700 -4.172 7.268) 9.161 17.234 ( -2.418 0.058 -0.335) 2.441 17.344 ( -0.515 -2.121 3.148) 3.831 17.670 ( -2.253 0.712 -1.888) 3.025 17.812 ( 2.496 -0.082 -1.624) 2.979 18.464 ( -1.711 0.746 -5.624) 5.926 18.572 ( 2.012 -3.809 -7.094) 8.300 ======================= Grid point 325 (176/226) ======================= q-point: ( 0.36 0.64 0.18) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( -6.368 -1.664 4.724) 8.102 1.623 ( 0.685 -9.961 -1.019) 10.036 1.894 ( 1.336 -1.103 -5.923) 6.171 2.459 ( 1.499 -2.419 -0.075) 2.847 2.471 ( 3.199 4.058 -0.577) 5.199 3.309 ( 4.193 0.531 3.971) 5.800 4.744 ( 1.674 10.155 6.030) 11.928 5.207 ( -0.686 4.516 1.637) 4.853 5.504 ( 10.692 -7.405 10.413) 16.660 6.353 ( -15.468 4.706 -16.811) 23.324 6.807 ( 0.063 -5.388 -2.954) 6.145 6.911 ( -0.309 4.468 -3.989) 5.997 7.233 ( -1.917 -12.185 -11.930) 17.160 7.611 ( -1.451 -6.942 2.029) 7.377 7.854 ( -7.803 -4.874 10.751) 14.150 8.327 ( 10.829 4.304 -8.650) 14.512 9.156 ( -4.250 6.461 3.835) 8.632 9.358 ( 3.469 0.498 4.591) 5.776 17.210 ( -1.320 0.733 1.866) 2.401 17.324 ( -1.401 -1.886 2.731) 3.602 17.621 ( -2.404 0.770 -2.315) 3.425 17.828 ( 0.946 -0.893 -1.522) 2.002 18.412 ( 0.553 -1.649 -4.846) 5.148 18.518 ( 0.801 -5.745 -4.261) 7.198 ======================= Grid point 326 (177/226) ======================= q-point: ( 0.45 0.64 0.18) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.306 ( -4.057 -3.996 6.376) 8.549 1.572 ( 0.850 -5.119 4.378) 6.789 1.833 ( -1.151 -5.676 -0.869) 5.856 2.480 ( -1.156 -0.430 -5.394) 5.533 2.520 ( 3.848 1.452 0.971) 4.226 3.441 ( 9.451 3.938 -4.777) 11.298 4.936 ( 4.687 9.265 3.468) 10.947 5.274 ( 0.279 6.320 7.359) 9.704 5.579 ( -7.346 5.063 -5.200) 10.327 6.066 ( -1.103 -12.962 -5.369) 14.073 6.761 ( 3.903 -5.384 -1.610) 6.842 6.878 ( -3.716 0.266 -8.199) 9.006 7.068 ( -1.291 -4.743 -1.241) 5.070 7.462 ( -10.029 -12.673 14.301) 21.580 7.755 ( -4.884 -0.063 5.512) 7.365 8.564 ( 14.051 6.499 -8.319) 17.574 9.134 ( -5.265 2.860 1.819) 6.261 9.443 ( 2.195 2.316 1.266) 3.433 17.224 ( -0.900 1.619 3.940) 4.354 17.302 ( -0.361 -1.959 2.543) 3.230 17.584 ( -1.456 1.310 -2.242) 2.977 17.811 ( -0.483 -1.122 -1.326) 1.803 18.390 ( 2.379 -5.032 -1.427) 5.746 18.434 ( -1.515 -4.462 -2.260) 5.227 ======================= Grid point 327 (178/226) ======================= q-point: ( 0.55 0.64 0.18) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( -1.000 -5.788 7.092) 9.209 1.585 ( -1.180 -2.594 9.399) 9.821 1.733 ( -2.555 -7.297 -1.129) 7.813 2.406 ( -1.000 -0.875 -3.439) 3.687 2.609 ( 2.700 3.088 -0.190) 4.107 3.628 ( 11.152 5.357 -11.864) 17.142 5.079 ( 1.951 4.808 -2.518) 5.767 5.305 ( -13.879 5.924 -17.624) 23.202 5.445 ( -1.917 12.513 10.807) 16.645 6.004 ( 10.837 -20.469 6.547) 24.068 6.745 ( -4.683 0.073 -5.354) 7.113 6.846 ( 8.542 -1.738 4.574) 9.844 7.015 ( -4.430 -2.702 4.482) 6.857 7.250 ( -9.423 -11.708 15.834) 21.831 7.734 ( -1.777 1.166 2.354) 3.172 8.784 ( 7.797 3.569 -2.666) 8.980 9.076 ( -3.138 3.496 -3.509) 5.864 9.484 ( 0.380 1.070 -1.548) 1.919 17.245 ( -1.303 2.356 2.279) 3.528 17.317 ( 1.649 -2.743 5.448) 6.319 17.570 ( -0.373 1.709 -1.921) 2.598 17.782 ( -0.722 -0.755 -0.819) 1.327 18.325 ( -1.350 -6.829 1.893) 7.213 18.411 ( 1.030 -0.635 0.199) 1.226 ======================= Grid point 328 (179/226) ======================= q-point: (-0.36 -0.36 0.18) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( 3.764 -6.972 9.866) 12.653 1.487 ( -9.140 -11.838 10.024) 18.004 1.666 ( 0.053 2.646 -2.945) 3.960 2.428 ( 3.638 2.725 -1.018) 4.658 2.658 ( -0.803 3.496 -0.138) 3.590 3.709 ( 3.141 1.364 -18.080) 18.401 4.957 ( -10.556 6.154 -8.905) 15.120 5.246 ( 5.612 6.367 -8.855) 12.266 5.494 ( -2.102 -4.140 -2.222) 5.147 6.150 ( 10.134 -3.870 19.897) 22.662 6.677 ( -1.421 1.021 -1.323) 2.194 6.863 ( -10.391 -4.031 10.760) 15.492 7.067 ( 9.473 -1.449 9.396) 13.421 7.147 ( -0.829 -5.276 7.916) 9.549 7.732 ( -0.806 0.304 1.675) 1.884 8.795 ( -6.413 1.278 -2.434) 6.977 9.122 ( 5.815 4.112 -4.183) 8.260 9.453 ( -1.533 -1.584 -4.298) 4.830 17.254 ( -1.025 1.212 0.615) 1.702 17.346 ( 0.599 -2.800 5.235) 5.967 17.585 ( 1.161 1.296 0.029) 1.740 17.768 ( -0.022 -0.222 -0.134) 0.260 18.279 ( -1.535 -0.942 5.174) 5.478 18.433 ( 1.176 0.017 1.708) 2.074 ======================= Grid point 329 (180/226) ======================= q-point: (-0.27 -0.36 0.18) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( -7.207 -13.154 8.426) 17.204 1.365 ( 9.778 -9.604 10.277) 17.131 1.705 ( -1.756 9.855 0.664) 10.032 2.526 ( 3.131 4.028 -1.391) 5.288 2.651 ( -3.807 4.363 -0.686) 5.832 3.528 ( -6.567 -4.912 -20.397) 21.984 4.887 ( -1.900 7.431 -4.189) 8.740 5.294 ( -6.775 -5.400 -1.651) 8.820 5.425 ( 11.456 3.414 -13.155) 17.775 6.314 ( -6.247 -5.841 20.316) 22.043 6.693 ( 3.786 -1.231 0.630) 4.031 6.871 ( 3.734 8.352 14.086) 16.797 7.088 ( -1.794 -1.384 4.679) 5.199 7.346 ( 11.423 0.128 10.444) 15.478 7.732 ( 0.161 -1.331 1.862) 2.294 8.641 ( -9.762 4.167 -7.836) 13.193 9.223 ( 4.167 -1.011 -0.357) 4.302 9.355 ( -2.543 -3.307 -6.175) 7.452 17.236 ( -1.614 -0.514 0.257) 1.713 17.348 ( 0.261 -2.508 2.260) 3.386 17.628 ( 1.517 0.744 2.564) 3.071 17.765 ( -0.597 -0.091 -0.029) 0.605 18.328 ( 0.550 5.068 6.452) 8.223 18.474 ( 1.121 1.875 2.340) 3.201 ======================= Grid point 330 (181/226) ======================= q-point: (-0.18 -0.36 0.18) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( -0.727 -12.347 4.924) 13.313 1.546 ( 13.598 -7.420 10.712) 18.834 1.803 ( -2.134 12.293 3.732) 13.023 2.534 ( -5.205 4.087 -2.626) 7.120 2.650 ( -0.976 4.992 -1.807) 5.398 3.213 ( -7.019 -8.252 -17.273) 20.389 4.888 ( -4.257 0.981 -5.410) 6.954 5.127 ( -2.413 -1.343 0.722) 2.854 5.587 ( 4.462 2.458 -0.854) 5.165 6.204 ( -3.655 -2.852 3.992) 6.118 6.767 ( 5.266 -1.484 0.735) 5.520 6.961 ( -3.643 -2.938 2.282) 5.207 7.339 ( 10.157 16.956 18.212) 26.876 7.580 ( 6.939 2.250 5.530) 9.154 7.748 ( 3.947 -4.626 4.642) 7.650 8.472 ( -9.855 8.797 -10.723) 17.014 9.168 ( 0.345 -10.426 -7.751) 12.996 9.297 ( -1.455 -0.913 2.588) 3.107 17.205 ( -0.948 -0.915 0.392) 1.374 17.341 ( 0.936 -2.692 1.086) 3.050 17.679 ( 1.132 1.019 3.256) 3.595 17.737 ( -2.539 0.869 -1.042) 2.879 18.450 ( 2.154 5.675 3.894) 7.212 18.538 ( 0.700 5.163 2.698) 5.867 ======================= Grid point 335 (182/226) ======================= q-point: ( 0.27 -0.27 0.18) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( 6.880 -9.758 -8.514) 14.664 1.610 ( 11.194 -1.813 -13.892) 17.933 1.763 ( -8.910 5.548 -6.078) 12.129 2.439 ( -3.154 5.900 6.864) 9.585 2.636 ( -8.306 -2.705 1.642) 8.888 3.149 ( 7.179 -7.005 19.747) 22.148 4.802 ( -5.822 5.206 5.449) 9.523 5.148 ( 5.178 6.141 13.556) 15.757 5.306 ( -3.772 -3.105 -1.433) 5.091 6.638 ( -0.678 -6.265 -6.446) 9.015 6.733 ( 5.401 -2.712 -8.936) 10.787 7.087 ( -0.746 2.300 -11.034) 11.296 7.287 ( -3.773 2.753 -15.850) 16.524 7.516 ( 2.505 7.036 -7.437) 10.540 7.786 ( 2.438 0.750 -3.980) 4.727 8.465 ( -10.176 -9.155 10.488) 17.245 9.165 ( 7.453 -3.023 7.255) 10.832 9.265 ( -2.222 4.785 2.217) 5.723 17.249 ( -0.977 -1.806 -1.125) 2.341 17.346 ( 0.988 -0.811 1.867) 2.262 17.689 ( 0.490 1.593 -3.022) 3.451 17.768 ( -0.195 -1.094 -0.344) 1.163 18.483 ( -4.369 1.088 -9.928) 10.901 18.518 ( -1.009 1.522 -2.221) 2.875 ======================= Grid point 336 (183/226) ======================= q-point: ( 0.36 -0.27 0.18) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.386 ( 8.047 -9.315 -6.275) 13.817 1.549 ( -9.231 0.157 -0.344) 9.239 1.796 ( 7.551 5.448 -11.840) 15.063 2.454 ( -3.193 -2.597 3.487) 5.394 2.530 ( -2.926 3.321 4.130) 6.054 3.264 ( 2.900 -6.329 10.794) 12.844 4.830 ( 0.551 5.482 3.243) 6.393 5.223 ( 3.210 -8.424 3.560) 9.692 5.436 ( 3.464 12.273 13.185) 18.343 6.391 ( -4.158 -13.287 -18.490) 23.146 6.772 ( -1.038 2.444 -3.460) 4.361 6.985 ( -5.016 5.103 -7.643) 10.470 7.124 ( -5.215 -0.258 -10.377) 11.617 7.600 ( 1.293 1.205 0.119) 1.772 7.901 ( 8.260 5.599 -4.019) 10.758 8.266 ( -8.142 -6.333 7.334) 12.656 9.264 ( -0.973 -1.404 4.486) 4.800 9.309 ( 4.910 1.892 2.022) 5.637 17.223 ( 0.147 -0.941 0.164) 0.967 17.360 ( -0.595 0.191 2.288) 2.371 17.651 ( -2.916 0.164 -3.598) 4.634 17.773 ( 2.389 -2.202 -0.225) 3.257 18.383 ( -2.658 1.765 -6.699) 7.420 18.489 ( -1.733 0.090 -2.095) 2.720 ======================= Grid point 337 (184/226) ======================= q-point: ( 0.45 0.73 0.18) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( -2.173 -4.940 -1.726) 5.666 1.463 ( 2.528 0.217 1.501) 2.948 1.846 ( -0.508 1.111 -1.887) 2.248 2.444 ( 1.897 1.028 -0.870) 2.326 2.534 ( -2.010 0.088 2.422) 3.148 3.301 ( 4.879 -3.535 0.284) 6.032 4.949 ( 3.672 6.482 0.338) 7.457 5.279 ( 6.829 -5.732 8.783) 12.516 5.632 ( 3.642 -1.115 5.478) 6.672 6.058 ( -12.663 -0.325 -14.566) 19.303 6.707 ( -2.749 2.565 -3.589) 5.198 6.936 ( -5.453 5.470 -8.078) 11.176 7.018 ( 1.240 -3.980 -0.123) 4.170 7.584 ( -4.769 -3.312 7.287) 9.317 7.918 ( -9.496 -3.089 10.623) 14.579 8.323 ( 14.418 6.255 -8.924) 18.073 9.233 ( -3.416 -0.957 1.897) 4.023 9.411 ( 4.077 0.543 0.487) 4.142 17.241 ( 1.679 -0.523 2.714) 3.234 17.355 ( -2.827 1.655 2.741) 4.272 17.578 ( -1.093 -1.754 -4.607) 5.049 17.784 ( 1.173 -1.702 -0.285) 2.086 18.345 ( -1.127 1.759 -1.403) 2.517 18.441 ( -2.281 -0.094 -1.266) 2.611 ======================= Grid point 338 (185/226) ======================= q-point: (-0.45 -0.27 0.18) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( -3.856 -3.471 2.259) 5.659 1.557 ( 5.062 1.966 0.467) 5.450 1.801 ( -6.058 -2.955 7.746) 10.268 2.402 ( -2.785 -1.965 -2.696) 4.346 2.595 ( 3.966 4.526 0.931) 6.090 3.388 ( 10.501 -1.317 -9.217) 14.034 5.060 ( 3.310 6.019 -4.222) 8.063 5.318 ( -1.744 -8.265 -8.689) 12.118 5.650 ( 10.405 -15.047 9.497) 20.612 5.853 ( -15.103 17.682 -1.115) 23.281 6.763 ( 3.943 1.167 4.443) 6.054 6.830 ( -4.783 5.878 -3.541) 8.364 7.028 ( 1.093 -1.488 0.513) 1.917 7.447 ( -12.004 -8.912 16.173) 22.025 7.813 ( -4.966 -0.721 4.867) 6.991 8.608 ( 14.586 6.616 -5.880) 17.062 9.152 ( -4.693 -1.427 -1.172) 5.043 9.457 ( 1.600 -0.198 -2.514) 2.987 17.294 ( 2.252 -1.629 4.710) 5.469 17.337 ( -3.731 3.539 2.831) 5.870 17.531 ( 1.564 -2.997 -4.197) 5.389 17.780 ( -0.032 -0.443 -0.364) 0.574 18.347 ( -1.925 1.796 4.115) 4.885 18.411 ( -0.772 1.194 -0.256) 1.445 ======================= Grid point 339 (186/226) ======================= q-point: (-0.36 -0.27 0.18) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( -0.725 -6.667 3.307) 7.478 1.637 ( -9.274 -5.658 6.979) 12.912 1.683 ( 0.363 3.590 6.285) 7.247 2.388 ( 3.030 2.665 -1.825) 4.428 2.701 ( 1.455 5.086 0.728) 5.340 3.465 ( 9.369 -4.224 -17.685) 20.455 5.070 ( -2.661 -5.012 -16.006) 16.982 5.145 ( 0.952 6.208 -3.819) 7.350 5.612 ( -11.089 5.830 -4.969) 13.478 6.013 ( 13.779 -3.872 22.469) 26.640 6.714 ( -2.461 -0.423 -2.900) 3.827 6.999 ( -2.732 -3.071 3.285) 5.262 7.031 ( 5.328 10.046 10.463) 15.453 7.254 ( -10.188 -7.296 16.793) 20.953 7.775 ( -2.325 -0.017 2.414) 3.352 8.824 ( 4.797 1.310 0.016) 4.972 9.062 ( 0.101 0.842 -6.214) 6.272 9.426 ( -1.221 -1.505 -5.571) 5.898 17.304 ( -1.692 0.281 1.681) 2.401 17.350 ( -0.541 -0.663 3.857) 3.951 17.530 ( 3.415 -1.896 -0.584) 3.949 17.776 ( -0.278 0.752 -0.053) 0.803 18.374 ( -2.342 4.599 7.242) 8.893 18.431 ( 0.768 1.458 1.459) 2.200 ======================= Grid point 340 (187/226) ======================= q-point: (-0.27 -0.27 0.18) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( 5.072 -11.038 4.747) 13.042 1.389 ( -13.234 -12.353 13.701) 22.704 1.829 ( 1.696 12.068 3.202) 12.600 2.498 ( 4.522 5.936 -1.950) 7.712 2.742 ( -1.469 2.550 -0.203) 2.950 3.368 ( 0.780 -7.463 -22.042) 23.285 4.970 ( -0.252 5.318 -7.572) 9.256 5.216 ( 4.864 6.216 -12.163) 14.500 5.437 ( -10.824 4.413 -1.720) 11.815 6.339 ( 11.078 -9.454 24.209) 28.252 6.668 ( -2.083 -1.304 -1.345) 2.801 6.912 ( -0.796 -4.920 8.196) 9.593 7.122 ( -2.024 -5.638 9.754) 11.447 7.383 ( 4.588 16.772 12.478) 21.402 7.753 ( -1.730 -0.265 2.526) 3.073 8.754 ( -6.260 -2.166 -5.116) 8.370 9.121 ( 4.759 -1.507 -3.100) 5.876 9.335 ( -2.213 -0.377 -6.356) 6.740 17.277 ( -2.511 -0.105 0.924) 2.677 17.333 ( -0.369 -2.967 0.744) 3.081 17.593 ( 3.402 -0.566 3.485) 4.903 17.784 ( -0.232 1.418 0.268) 1.462 18.441 ( -1.512 5.048 7.154) 8.885 18.490 ( 1.691 4.257 3.240) 5.611 ======================= Grid point 341 (188/226) ======================= q-point: (-0.18 -0.27 0.18) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.106 ( -8.955 -13.889 10.482) 19.569 1.284 ( 12.311 -12.052 11.996) 20.993 1.994 ( -0.960 13.839 3.523) 14.313 2.593 ( 0.839 5.729 -3.760) 6.904 2.699 ( -1.091 -4.383 -4.033) 6.055 3.136 ( -6.290 0.064 -17.890) 18.964 5.001 ( -4.033 9.464 -5.550) 11.688 5.186 ( -4.029 1.220 -3.486) 5.466 5.453 ( 8.125 8.143 -7.257) 13.601 6.364 ( -10.647 -11.059 19.341) 24.693 6.643 ( 5.195 -3.450 -0.594) 6.264 6.972 ( 1.088 -5.313 3.850) 6.651 7.214 ( 13.625 -3.932 13.967) 19.904 7.651 ( 1.262 5.174 3.544) 6.397 7.801 ( 0.550 14.375 9.722) 17.362 8.590 ( -4.716 0.143 -10.407) 11.427 9.031 ( -3.053 -8.658 -8.549) 12.545 9.327 ( -0.042 1.448 2.437) 2.835 17.231 ( -2.506 -0.950 0.621) 2.751 17.304 ( 0.538 -3.172 0.197) 3.223 17.662 ( 2.254 -0.211 3.825) 4.444 17.792 ( -1.203 1.944 -0.066) 2.287 18.500 ( 0.219 2.312 4.215) 4.812 18.606 ( 1.135 8.203 4.106) 9.244 ======================= Grid point 401 (189/226) ======================= q-point: ( 0.27 0.27 0.27) 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 2.98e-04 3.39e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( -0.000 0.000 19.698) 19.698 1.269 ( -0.000 0.000 19.698) 19.698 1.660 ( -0.000 0.000 27.522) 27.522 2.596 ( 0.000 -0.000 -10.635) 10.635 2.596 ( 0.000 -0.000 -10.635) 10.635 3.853 ( 0.000 -0.000 -25.330) 25.330 4.974 ( 0.000 -0.000 -13.214) 13.214 4.974 ( 0.000 -0.000 -13.214) 13.214 5.531 ( 0.000 -0.000 -9.869) 9.869 6.577 ( -0.000 0.000 4.956) 4.956 6.577 ( -0.000 0.000 4.956) 4.956 7.259 ( -0.000 0.000 14.476) 14.476 7.259 ( -0.000 0.000 14.476) 14.476 7.433 ( -0.000 0.000 13.919) 13.919 7.672 ( -0.000 0.000 9.718) 9.718 8.789 ( 0.000 -0.000 -8.513) 8.513 8.789 ( 0.000 -0.000 -8.513) 8.513 9.657 ( 0.000 -0.000 -7.660) 7.660 17.153 ( -0.000 0.000 2.603) 2.603 17.153 ( -0.000 0.000 2.603) 2.603 17.766 ( -0.000 0.000 -0.001) 0.001 17.766 ( 0.000 0.000 -0.001) 0.001 18.559 ( -0.000 0.000 1.205) 1.205 19.293 ( 0.000 -0.000 -1.689) 1.689 ======================= Grid point 402 (190/226) ======================= q-point: ( 0.36 0.27 0.27) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.253 ( -2.851 -3.489 17.824) 18.384 1.543 ( 3.749 8.601 17.347) 19.722 1.883 ( 5.180 0.508 22.735) 23.323 2.437 ( -3.025 -4.406 -9.118) 10.569 2.604 ( 2.104 1.148 -8.806) 9.126 3.633 ( -6.191 -2.102 -22.338) 23.276 4.714 ( -7.179 -3.996 -9.815) 12.800 5.155 ( 14.362 6.623 -16.049) 22.532 5.439 ( -2.493 -0.994 -8.774) 9.176 6.537 ( -5.184 -1.808 7.477) 9.277 6.665 ( 2.609 0.462 3.554) 4.433 7.034 ( -11.923 -8.731 14.353) 20.601 7.530 ( 2.767 8.173 9.758) 13.026 7.544 ( 1.156 5.264 5.248) 7.522 7.868 ( 12.886 -2.881 16.476) 21.114 8.586 ( -3.524 -8.223 -9.068) 12.738 8.893 ( 3.724 9.392 -11.078) 14.993 9.488 ( -9.732 -5.466 -3.988) 11.853 17.149 ( -1.324 1.372 2.663) 3.275 17.225 ( 3.935 0.825 1.746) 4.383 17.736 ( -3.001 1.503 0.175) 3.361 17.765 ( 0.967 -2.778 -0.442) 2.974 18.556 ( -0.798 -0.732 0.576) 1.227 19.226 ( -4.707 -2.950 -1.684) 5.805 ======================= Grid point 403 (191/226) ======================= q-point: ( 0.45 0.27 0.27) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( 0.499 -0.536 13.631) 13.651 1.769 ( 1.721 7.910 10.060) 12.912 2.043 ( -0.734 1.136 9.413) 9.509 2.328 ( 2.156 -7.145 -4.372) 8.649 2.609 ( 2.219 0.233 0.470) 2.280 3.357 ( -8.974 -1.279 -15.574) 18.020 4.542 ( -3.899 -2.089 -4.224) 6.116 5.251 ( 0.474 -3.883 -10.026) 10.762 5.454 ( 12.247 7.921 -14.612) 20.646 6.424 ( -11.742 -3.322 12.068) 17.163 6.711 ( 1.921 -2.566 2.604) 4.130 6.923 ( -2.984 -1.542 7.085) 7.841 7.584 ( 1.040 1.615 -1.070) 2.199 7.702 ( -2.533 10.027 6.876) 12.420 8.186 ( 17.974 -7.418 13.887) 23.894 8.405 ( -1.256 -10.294 -6.126) 12.045 8.864 ( -11.680 12.000 -17.228) 24.025 9.308 ( -2.176 -3.623 4.566) 6.222 17.165 ( -0.779 2.335 2.132) 3.256 17.311 ( 3.372 1.260 1.613) 3.945 17.694 ( -3.520 2.011 -0.352) 4.069 17.760 ( 2.675 -3.348 -1.522) 4.548 18.522 ( -1.587 -1.627 -0.836) 2.422 19.060 ( -8.087 -5.146 -2.584) 9.927 ======================= Grid point 404 (192/226) ======================= q-point: ( 0.55 0.27 0.27) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.414 ( 1.874 2.098 8.443) 8.900 1.826 ( -0.017 -2.989 -3.264) 4.425 2.034 ( -4.737 -0.411 1.528) 4.994 2.296 ( 1.084 -1.055 -0.239) 1.532 2.662 ( -1.432 1.718 2.376) 3.263 3.182 ( -2.086 -0.099 -0.605) 2.174 4.497 ( -0.119 0.919 2.943) 3.085 5.135 ( -1.903 -4.659 -4.681) 6.873 5.633 ( 7.441 2.977 -10.403) 13.132 6.291 ( -5.332 0.970 5.421) 7.666 6.725 ( 1.997 -3.553 0.930) 4.180 6.938 ( 0.068 1.439 2.564) 2.941 7.570 ( -2.084 -0.124 -5.877) 6.237 7.745 ( 1.142 -0.611 -0.529) 1.399 8.180 ( -9.770 -7.345 -11.052) 16.479 8.516 ( 17.846 -7.896 12.292) 23.064 8.664 ( -12.875 14.689 -5.354) 20.253 9.340 ( 1.515 0.386 4.100) 4.388 17.194 ( 0.222 2.483 1.004) 2.687 17.380 ( 1.136 1.731 2.895) 3.559 17.657 ( -1.502 1.079 -2.547) 3.148 17.766 ( 2.801 -2.727 -2.213) 4.492 18.469 ( -1.331 -1.569 -2.083) 2.928 18.830 ( -9.143 -5.677 -4.692) 11.740 ======================= Grid point 405 (193/226) ======================= q-point: ( 0.64 0.27 0.27) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( 2.921 3.235 2.254) 4.907 1.702 ( -3.450 -8.586 -9.262) 13.092 1.917 ( -5.750 -1.703 -3.144) 6.771 2.295 ( -1.394 0.451 0.759) 1.650 2.644 ( -2.073 4.543 -0.632) 5.033 3.256 ( 2.881 -0.172 13.202) 13.514 4.589 ( 3.027 4.614 8.987) 10.546 5.060 ( 0.236 -4.472 0.981) 4.584 5.590 ( -7.461 -2.548 1.621) 8.049 6.383 ( 11.486 6.600 -10.586) 16.957 6.713 ( 1.351 -4.649 -1.686) 5.126 6.965 ( -0.234 2.408 0.174) 2.426 7.436 ( -0.984 -9.222 -11.042) 14.420 7.728 ( -2.817 -6.898 -7.310) 10.438 7.817 ( -12.969 4.606 -12.240) 18.418 8.651 ( -7.728 15.878 5.188) 18.405 8.810 ( 16.759 -7.607 8.362) 20.215 9.373 ( -1.575 0.099 4.771) 5.025 17.233 ( 1.087 2.334 -0.209) 2.583 17.411 ( -1.767 1.308 3.344) 4.002 17.636 ( 1.384 -0.388 -4.846) 5.054 17.770 ( 1.440 -1.935 -1.194) 2.692 18.428 ( -0.214 -0.333 -3.403) 3.426 18.603 ( -6.434 -4.018 -6.849) 10.220 ======================= Grid point 406 (194/226) ======================= q-point: (-0.27 0.27 0.27) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( -6.413 -11.524 -9.394) 16.192 1.609 ( 1.615 3.936 -3.062) 5.242 1.737 ( -8.720 3.463 -10.432) 14.030 2.351 ( 6.114 -0.864 5.990) 8.603 2.679 ( 1.325 4.087 -1.460) 4.538 3.359 ( -2.223 -2.520 19.249) 19.540 4.780 ( 4.247 7.075 10.931) 13.696 5.079 ( 4.035 -4.269 8.084) 9.993 5.446 ( -7.653 1.748 1.473) 7.987 6.554 ( 10.856 -3.309 -21.313) 24.147 6.655 ( -0.576 -2.946 0.765) 3.098 6.980 ( -0.819 3.882 -3.413) 5.233 7.274 ( 4.150 -9.868 -11.612) 15.794 7.387 ( -13.962 2.588 -16.850) 22.035 7.772 ( -0.468 1.187 -2.530) 2.834 8.719 ( -5.062 11.688 5.757) 13.978 9.036 ( 11.581 -5.622 5.002) 13.811 9.349 ( -4.545 -0.546 6.819) 8.214 17.268 ( 0.506 2.367 -0.980) 2.611 17.388 ( -2.783 -0.277 1.021) 2.977 17.626 ( 1.723 -2.615 -4.049) 5.119 17.767 ( 0.403 -0.259 -0.110) 0.492 18.411 ( 1.298 2.217 -7.931) 8.337 18.480 ( -0.264 -1.510 -4.187) 4.458 ======================= Grid point 413 (195/226) ======================= q-point: ( 0.36 0.36 0.27) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( -1.418 -7.934 17.699) 19.448 1.615 ( 3.804 2.457 16.897) 17.493 2.037 ( -0.374 4.822 15.808) 16.531 2.426 ( -3.750 0.877 -3.930) 5.502 2.539 ( 1.125 2.725 -8.960) 9.433 3.510 ( 1.222 -3.133 -21.152) 21.418 4.713 ( 0.566 -2.249 -9.342) 9.626 4.992 ( -1.774 8.224 -14.852) 17.069 5.386 ( 0.415 -2.316 -8.404) 8.728 6.592 ( 0.554 -1.939 5.442) 5.804 6.690 ( -0.402 2.763 3.610) 4.564 7.219 ( -4.645 -10.881 14.449) 18.675 7.398 ( 6.793 -7.270 14.994) 17.995 7.578 ( 2.484 1.558 1.531) 3.308 8.028 ( -6.201 13.563 12.372) 19.378 8.499 ( -4.008 -10.491 -9.893) 14.967 8.836 ( 5.869 7.711 -8.611) 12.964 9.479 ( -0.217 -6.325 -4.771) 7.925 17.175 ( 2.531 0.220 2.289) 3.420 17.224 ( -1.970 2.582 1.682) 3.657 17.702 ( 0.718 -4.977 0.453) 5.048 17.787 ( -0.840 0.918 -0.512) 1.346 18.560 ( -0.230 -1.349 0.575) 1.485 19.213 ( -0.160 -5.982 -1.692) 6.219 ======================= Grid point 414 (196/226) ======================= q-point: ( 0.45 0.36 0.27) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.364 ( 0.718 -5.125 15.726) 16.556 1.795 ( 3.492 -0.341 9.539) 10.164 2.088 ( 0.171 -5.266 -0.847) 5.336 2.348 ( -5.732 6.119 0.618) 8.407 2.593 ( 2.835 3.432 4.518) 6.343 3.365 ( -3.347 1.616 -16.499) 16.912 4.598 ( -5.436 1.224 -3.585) 6.626 5.045 ( 8.841 1.974 -15.298) 17.779 5.332 ( 1.694 1.101 -8.496) 8.733 6.600 ( -2.736 -0.687 6.603) 7.181 6.713 ( -1.983 -0.756 4.274) 4.772 7.040 ( -8.943 -7.506 12.338) 16.987 7.547 ( 4.214 -1.054 2.128) 4.837 7.724 ( 9.226 -2.947 2.846) 10.095 8.001 ( -0.766 -10.249 4.677) 11.291 8.362 ( -2.912 1.299 0.447) 3.219 8.962 ( 2.768 10.860 -11.284) 15.904 9.346 ( -4.693 -4.380 0.190) 6.422 17.226 ( -1.769 2.841 1.516) 3.674 17.259 ( 4.567 1.054 1.254) 4.852 17.668 ( 1.349 -5.783 -0.197) 5.941 17.762 ( -2.244 0.810 -0.433) 2.425 18.526 ( -1.522 -2.429 -0.199) 2.874 19.086 ( -4.528 -8.881 -1.890) 10.147 ======================= Grid point 415 (197/226) ======================= q-point: ( 0.55 0.36 0.27) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( 1.992 -2.003 12.166) 12.489 1.796 ( -2.997 -3.209 -2.034) 4.839 1.979 ( 0.041 -11.448 -3.528) 11.979 2.374 ( -0.969 6.952 1.995) 7.297 2.701 ( 0.856 1.375 4.566) 4.845 3.250 ( -4.696 5.920 -5.775) 9.511 4.570 ( -1.567 5.395 5.206) 7.660 5.055 ( 2.305 -3.549 -8.110) 9.148 5.411 ( 10.472 5.693 -14.020) 18.402 6.514 ( -11.908 -3.507 12.138) 17.362 6.689 ( 0.127 -2.480 2.605) 3.599 6.964 ( -1.402 -1.846 3.963) 4.591 7.528 ( -3.321 -8.266 -10.598) 13.844 7.665 ( 1.471 -5.021 -2.355) 5.738 8.154 ( 18.260 -12.297 12.449) 25.291 8.295 ( -8.655 4.129 -4.085) 10.423 8.965 ( -7.417 13.142 -7.178) 16.710 9.321 ( 2.453 -0.691 3.912) 4.669 17.234 ( -1.152 2.705 0.331) 2.959 17.362 ( 4.385 1.696 1.789) 5.031 17.619 ( 0.430 -5.588 -3.177) 6.442 17.741 ( -0.866 0.888 0.535) 1.350 18.467 ( -1.766 -2.493 -0.806) 3.160 18.871 ( -7.278 -10.095 -2.948) 12.790 ======================= Grid point 416 (198/226) ======================= q-point: ( 0.64 0.36 0.27) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.506 ( 0.041 -1.653 3.112) 3.524 1.661 ( -4.026 -4.936 -4.587) 7.849 1.879 ( 1.986 -8.596 1.468) 8.944 2.398 ( -4.907 5.181 -1.954) 7.399 2.680 ( -1.582 -0.272 -4.325) 4.613 3.284 ( 1.752 2.643 7.995) 8.601 4.714 ( 1.016 11.720 13.461) 17.877 5.011 ( 0.941 -2.788 -1.976) 3.544 5.547 ( 7.684 2.354 -11.193) 13.779 6.343 ( -7.535 -4.099 4.042) 9.482 6.684 ( -0.590 -1.135 1.488) 1.962 6.960 ( 1.348 -2.044 -0.873) 2.600 7.263 ( -2.555 -14.010 -11.249) 18.148 7.674 ( 1.187 -0.834 -1.875) 2.370 8.031 ( -15.050 4.473 -14.689) 21.501 8.465 ( 18.434 -10.173 10.641) 23.591 8.956 ( -6.741 13.313 1.470) 14.995 9.391 ( 2.179 0.167 3.333) 3.986 17.248 ( -0.224 2.921 -0.724) 3.018 17.453 ( 1.653 1.194 3.803) 4.316 17.541 ( 1.046 -4.691 -7.128) 8.597 17.751 ( 0.217 0.748 1.111) 1.357 18.418 ( -0.916 -1.304 -1.008) 1.886 18.622 ( -7.119 -8.547 -4.913) 12.161 ======================= Grid point 417 (199/226) ======================= q-point: ( 0.73 0.36 0.27) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.389 ( -4.995 -6.035 -8.049) 11.232 1.599 ( 1.110 -1.575 2.339) 3.030 1.840 ( -3.947 0.362 -5.595) 6.857 2.339 ( -2.252 2.021 1.588) 3.417 2.652 ( 1.776 -0.154 -4.067) 4.441 3.400 ( 3.875 -4.373 12.883) 14.146 4.954 ( -0.474 11.289 18.878) 22.001 5.031 ( 2.501 1.664 2.335) 3.804 5.558 ( -1.975 0.760 -0.814) 2.267 6.218 ( 2.983 -9.773 -16.466) 19.379 6.680 ( -0.855 2.383 2.523) 3.574 6.955 ( 5.093 -4.289 -6.151) 9.065 7.079 ( -1.520 -5.604 -4.677) 7.455 7.559 ( -12.221 2.282 -14.433) 19.049 7.805 ( -4.720 4.026 -6.517) 8.997 8.710 ( 14.005 -8.085 5.434) 17.059 9.000 ( -3.684 9.283 4.479) 10.946 9.425 ( -0.778 -0.470 4.530) 4.621 17.276 ( 0.640 3.297 -1.320) 3.609 17.423 ( -2.347 -2.496 -3.276) 4.741 17.538 ( 2.773 -2.008 -0.448) 3.452 17.766 ( -0.057 0.479 0.847) 0.975 18.390 ( -1.337 0.665 -3.751) 4.038 18.442 ( -1.311 -3.687 -4.386) 5.878 ======================= Grid point 424 (200/226) ======================= q-point: ( 0.36 0.45 0.27) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( -0.748 -5.722 15.585) 16.619 1.703 ( -2.550 -3.690 16.246) 16.854 2.077 ( 1.667 -0.835 -2.631) 3.225 2.469 ( 4.736 6.395 -3.949) 8.884 2.579 ( -5.304 3.781 3.565) 7.425 3.306 ( 5.016 -1.795 -14.660) 15.598 4.588 ( 5.150 0.703 -3.872) 6.481 5.143 ( -13.615 9.572 -17.581) 24.209 5.288 ( 1.749 -2.892 -7.039) 7.808 6.558 ( 5.573 -4.756 9.097) 11.680 6.746 ( -0.809 2.685 1.355) 3.114 7.073 ( 11.108 -6.552 12.142) 17.713 7.484 ( -7.914 -10.580 9.349) 16.185 7.593 ( -2.419 1.249 2.205) 3.504 8.302 ( -9.243 -2.204 -4.259) 10.413 8.440 ( -2.132 2.204 2.896) 4.218 8.702 ( 9.582 3.035 -10.302) 14.393 9.383 ( 2.898 -1.821 0.392) 3.445 17.158 ( 0.695 -0.626 2.453) 2.626 17.296 ( -2.286 2.346 0.912) 3.400 17.648 ( -0.065 -5.271 0.660) 5.313 17.795 ( 0.304 1.511 -1.322) 2.031 18.537 ( 1.168 -1.831 -0.377) 2.204 19.092 ( 4.319 -8.516 -2.178) 9.794 ======================= Grid point 425 (201/226) ======================= q-point: ( 0.45 0.45 0.27) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( -0.403 -6.487 15.649) 16.945 1.786 ( 3.222 -5.033 14.602) 15.777 2.022 ( -1.705 -3.100 -8.973) 9.645 2.450 ( -3.110 1.164 -6.320) 7.139 2.651 ( 1.076 4.272 7.008) 8.277 3.324 ( 2.567 7.856 -11.134) 13.866 4.667 ( 1.185 4.884 -0.284) 5.034 4.926 ( -4.964 4.286 -15.016) 16.386 5.259 ( 1.586 -0.707 -6.796) 7.014 6.625 ( 1.575 -1.868 5.574) 6.086 6.768 ( -0.818 1.774 1.183) 2.284 7.182 ( -4.930 -10.365 13.310) 17.575 7.390 ( 8.500 -9.763 8.996) 15.763 7.615 ( 1.798 1.416 0.772) 2.415 7.920 ( -8.410 -20.723 -6.920) 23.411 8.524 ( -4.625 10.201 5.265) 12.376 8.878 ( 9.358 7.453 -8.809) 14.857 9.374 ( -1.765 -0.847 -0.428) 2.004 17.202 ( 2.998 0.083 1.302) 3.270 17.297 ( -1.464 3.098 1.366) 3.689 17.598 ( 0.219 -6.059 1.233) 6.187 17.788 ( -1.008 0.247 -1.190) 1.579 18.517 ( -0.491 -2.874 -0.469) 2.953 19.013 ( -0.237 -11.909 -1.653) 12.025 ======================= Grid point 426 (202/226) ======================= q-point: ( 0.55 0.45 0.27) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.460 ( 2.371 -4.080 14.842) 15.574 1.817 ( -0.180 -8.462 6.785) 10.848 1.860 ( -4.969 -5.341 -9.221) 11.758 2.417 ( 0.944 2.226 -1.484) 2.836 2.707 ( 0.661 -1.518 0.389) 1.700 3.375 ( -2.941 12.637 -7.594) 15.034 4.709 ( -2.595 7.638 4.901) 9.439 4.918 ( 5.354 3.196 -6.816) 9.238 5.260 ( 4.001 2.474 -8.874) 10.044 6.667 ( 0.877 -0.204 4.985) 5.065 6.723 ( -6.217 -3.505 2.482) 7.556 7.016 ( -6.944 -9.531 8.232) 14.382 7.394 ( -2.590 -13.072 -11.172) 17.390 7.605 ( 1.532 -4.117 3.572) 5.662 7.813 ( 14.333 -11.808 11.984) 22.102 8.493 ( -9.917 6.328 -2.806) 12.094 9.038 ( 5.699 8.969 -8.736) 13.757 9.340 ( -2.119 1.096 3.171) 3.968 17.255 ( 2.067 0.844 -1.457) 2.666 17.336 ( 0.915 3.558 2.615) 4.509 17.547 ( 0.020 -6.347 0.978) 6.422 17.765 ( -0.883 0.391 -0.544) 1.108 18.465 ( -1.445 -3.025 -0.464) 3.385 18.838 ( -3.951 -13.367 -1.307) 14.000 ======================= Grid point 427 (203/226) ======================= q-point: ( 0.64 0.45 0.27) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( -1.510 -2.724 7.883) 8.476 1.666 ( -4.752 -5.879 -3.969) 8.538 1.754 ( 2.503 -8.571 3.418) 9.560 2.469 ( 0.866 2.920 -0.822) 3.155 2.653 ( -1.439 -3.021 -5.712) 6.619 3.371 ( -4.234 6.567 -2.413) 8.177 4.829 ( 5.434 2.901 2.905) 6.811 5.039 ( -0.319 12.987 10.039) 16.418 5.348 ( 8.882 4.833 -12.240) 15.876 6.494 ( -12.695 -12.021 2.321) 17.637 6.710 ( -0.136 0.641 4.732) 4.778 6.868 ( -1.010 -10.524 -2.157) 10.790 7.161 ( -3.584 -7.035 -3.717) 8.727 7.639 ( 1.849 -0.579 0.528) 2.008 8.052 ( 14.595 -10.044 7.118) 19.093 8.303 ( -10.673 3.645 -6.926) 13.235 9.133 ( -0.417 9.428 -4.656) 10.523 9.372 ( 1.596 0.740 3.808) 4.195 17.277 ( 0.207 2.666 -2.348) 3.559 17.406 ( 2.576 0.534 -1.233) 2.906 17.490 ( -0.707 -4.006 2.540) 4.796 17.768 ( 0.120 1.073 0.872) 1.388 18.414 ( -0.903 -2.322 -0.077) 2.493 18.614 ( -5.892 -11.533 -1.691) 13.061 ======================= Grid point 428 (204/226) ======================= q-point: ( 0.73 0.45 0.27) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( -6.561 -2.746 -4.507) 8.420 1.567 ( -0.468 -5.770 1.852) 6.078 1.812 ( 4.178 -2.190 4.138) 6.275 2.443 ( -4.829 2.652 -2.500) 6.050 2.584 ( 0.868 -1.820 -5.111) 5.494 3.363 ( 0.772 -2.405 3.762) 4.531 4.939 ( 5.771 -1.463 2.383) 6.413 5.287 ( -2.193 15.347 16.825) 22.878 5.491 ( 9.263 9.391 -8.866) 15.894 6.108 ( -12.417 -17.859 -5.850) 22.525 6.725 ( 1.370 -1.390 1.234) 2.309 6.792 ( 0.676 -2.601 -0.076) 2.688 7.070 ( -1.702 -2.018 -0.716) 2.735 7.634 ( -2.477 0.269 -4.410) 5.065 7.949 ( -11.961 5.682 -14.197) 19.414 8.394 ( 15.916 -9.719 9.946) 21.136 9.162 ( -3.360 7.131 -1.257) 7.983 9.429 ( 1.959 -0.454 2.690) 3.358 17.296 ( 0.470 3.709 -2.955) 4.765 17.367 ( -0.494 -3.910 -4.890) 6.280 17.518 ( 1.054 0.110 4.713) 4.830 17.785 ( -0.447 0.651 1.276) 1.500 18.389 ( 0.464 -3.199 -0.516) 3.273 18.424 ( -4.474 -3.073 -1.987) 5.780 ======================= Grid point 435 (205/226) ======================= q-point: ( 0.36 0.55 0.27) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( -0.709 -4.225 12.209) 12.939 1.804 ( -3.887 -4.557 7.503) 9.601 1.991 ( 2.125 -3.319 -5.933) 7.123 2.409 ( 5.222 5.579 -4.209) 8.724 2.644 ( 1.179 -3.967 0.869) 4.229 3.208 ( 0.975 5.066 -0.762) 5.214 4.544 ( 2.213 3.656 3.503) 5.526 5.176 ( 3.079 0.256 -5.183) 6.034 5.402 ( -16.089 8.663 -18.437) 25.958 6.408 ( 10.622 -9.370 13.655) 19.675 6.781 ( 0.187 2.785 -0.605) 2.856 6.960 ( 3.561 -2.589 5.529) 7.068 7.492 ( -2.311 -7.235 -2.945) 8.146 7.683 ( -4.264 -1.344 1.264) 4.646 8.259 ( -5.692 -23.847 -6.076) 25.258 8.367 ( 11.375 5.259 -9.165) 15.526 8.734 ( -2.783 15.689 8.451) 18.036 9.368 ( 0.336 0.883 2.692) 2.853 17.171 ( -0.878 -0.273 2.415) 2.584 17.354 ( -2.115 0.253 1.296) 2.494 17.611 ( -0.718 -3.314 -0.843) 3.494 17.796 ( 0.413 2.218 -2.371) 3.273 18.484 ( 2.034 -1.803 -1.448) 3.079 18.880 ( 7.363 -9.764 -3.305) 12.668 ======================= Grid point 436 (206/226) ======================= q-point: ( 0.45 0.55 0.27) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.439 ( -1.279 -6.591 12.751) 14.411 1.772 ( 0.327 -7.873 11.769) 14.164 1.956 ( 1.157 -1.015 -9.407) 9.532 2.452 ( -0.920 1.338 -5.602) 5.832 2.645 ( 2.746 -3.615 1.051) 4.660 3.318 ( 3.806 11.066 -4.037) 12.379 4.692 ( 4.193 8.911 6.582) 11.845 5.081 ( -15.547 5.887 -16.394) 23.348 5.192 ( 1.440 1.488 -4.844) 5.268 6.561 ( 7.061 -7.149 9.554) 13.865 6.792 ( -0.448 1.556 -1.420) 2.154 7.076 ( 9.641 -6.477 8.630) 14.470 7.304 ( -4.592 -13.045 -4.034) 14.406 7.644 ( -0.997 1.340 0.320) 1.701 7.856 ( -11.579 -21.729 5.428) 25.213 8.599 ( 11.700 6.898 -7.755) 15.640 8.838 ( -3.743 9.968 2.488) 10.934 9.393 ( -0.036 1.580 0.428) 1.637 17.184 ( 0.458 0.168 2.486) 2.533 17.347 ( -0.422 1.506 1.738) 2.338 17.559 ( -0.915 -3.946 0.388) 4.070 17.794 ( -0.553 0.596 -1.949) 2.111 18.479 ( 0.896 -2.732 -1.127) 3.088 18.843 ( 3.707 -13.485 -1.771) 14.097 ======================= Grid point 437 (207/226) ======================= q-point: ( 0.55 0.55 0.27) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.458 ( 2.117 -5.985 13.050) 14.512 1.740 ( -0.607 -8.073 1.119) 8.173 1.889 ( -3.253 -4.588 0.530) 5.649 2.399 ( -0.187 0.513 -4.441) 4.475 2.657 ( 1.681 -3.105 -0.643) 3.589 3.463 ( 2.272 13.014 -9.497) 16.270 4.822 ( -8.399 3.493 -11.945) 15.014 4.939 ( 5.203 13.116 10.099) 17.352 5.207 ( 0.547 3.247 -2.271) 4.000 6.623 ( 3.613 -7.154 2.990) 8.554 6.749 ( -2.328 -2.456 -5.310) 6.297 7.062 ( -5.803 -11.503 -0.864) 12.913 7.233 ( 8.083 -8.159 6.290) 13.094 7.554 ( -4.555 -18.511 15.764) 24.737 7.671 ( 1.382 1.763 1.353) 2.617 8.701 ( -6.993 5.090 -1.125) 8.722 8.918 ( 8.377 7.533 -8.718) 14.245 9.406 ( -1.164 2.779 0.543) 3.062 17.213 ( 1.604 0.305 0.200) 1.645 17.394 ( 0.435 3.739 3.702) 5.279 17.505 ( -0.959 -4.738 1.394) 5.031 17.774 ( -0.660 0.147 -1.305) 1.469 18.447 ( -0.464 -3.082 -0.799) 3.218 18.727 ( 0.067 -14.678 0.135) 14.679 ======================= Grid point 438 (208/226) ======================= q-point: ( 0.64 0.55 0.27) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.552 ( 5.407 -6.137 13.718) 15.971 1.621 ( -4.223 -4.086 -4.137) 7.187 1.742 ( -6.092 -8.944 3.306) 11.316 2.431 ( 4.158 1.610 -2.278) 5.007 2.619 ( -1.565 -2.351 -3.509) 4.504 3.493 ( -4.286 9.059 -11.083) 14.942 4.743 ( 2.392 1.934 -6.270) 6.984 5.187 ( 6.620 5.568 -3.327) 9.268 5.312 ( 0.293 15.390 13.337) 20.367 6.457 ( -4.381 -15.687 -11.793) 20.108 6.731 ( 2.370 -0.176 3.535) 4.260 6.872 ( -7.999 -8.238 6.783) 13.337 7.190 ( -5.452 -5.276 6.227) 9.815 7.571 ( 7.006 -8.594 9.212) 14.415 7.767 ( 9.582 -4.315 5.875) 12.040 8.523 ( -13.700 4.292 -7.725) 16.303 9.097 ( 8.035 6.612 -6.195) 12.110 9.411 ( -1.550 1.921 0.732) 2.575 17.244 ( 2.047 0.547 -2.094) 2.979 17.426 ( -2.755 1.091 -1.605) 3.370 17.487 ( 1.156 -0.918 7.122) 7.274 17.773 ( 0.656 0.750 0.210) 1.018 18.398 ( -0.857 -3.771 0.073) 3.867 18.574 ( -2.685 -11.337 1.634) 11.764 ======================= Grid point 439 (209/226) ======================= q-point: (-0.27 -0.45 -0.73) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( -6.019 0.127 -3.705) 7.069 1.540 ( -3.754 -9.973 4.801) 11.688 1.731 ( 7.144 -3.733 10.459) 13.205 2.485 ( -0.643 0.857 -3.219) 3.392 2.538 ( -0.339 -0.136 -4.919) 4.933 3.397 ( -5.338 1.603 -6.067) 8.239 4.823 ( 6.867 1.032 -2.079) 7.249 5.303 ( 6.110 3.594 -7.616) 10.404 5.564 ( 3.075 9.758 6.645) 12.200 6.155 ( -10.679 -7.543 1.282) 13.137 6.716 ( -5.079 -5.749 6.420) 10.003 6.814 ( 2.702 1.861 5.338) 6.265 7.097 ( -4.193 -2.627 2.748) 5.659 7.624 ( 1.519 -1.590 0.458) 2.246 7.953 ( 10.854 -6.216 3.786) 13.068 8.284 ( -9.761 2.992 -6.496) 12.101 9.221 ( 2.283 5.195 -3.373) 6.602 9.404 ( 0.428 -0.947 -0.309) 1.085 17.260 ( 1.366 -0.472 -3.320) 3.621 17.370 ( -2.199 0.490 -1.986) 3.003 17.548 ( 0.124 1.645 5.663) 5.898 17.799 ( 0.368 0.096 1.220) 1.278 18.346 ( -0.370 -4.769 1.678) 5.069 18.464 ( -2.809 -2.417 1.703) 4.078 ======================= Grid point 446 (210/226) ======================= q-point: ( 0.36 0.64 0.27) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( -1.965 -3.256 7.622) 8.518 1.785 ( 4.391 0.622 -6.544) 7.905 1.851 ( 2.908 -9.656 -8.060) 12.909 2.378 ( 3.346 5.294 2.001) 6.574 2.565 ( -0.210 -5.777 1.819) 6.061 3.311 ( -3.132 3.370 8.169) 9.376 4.615 ( -0.449 5.976 7.068) 9.267 5.132 ( 1.316 3.090 -0.023) 3.359 5.586 ( -5.512 3.352 -9.833) 11.761 6.266 ( 1.199 -4.210 4.547) 6.311 6.786 ( 1.839 3.306 -2.183) 4.367 6.924 ( 0.281 -3.700 0.264) 3.720 7.388 ( -0.337 -9.372 -11.633) 14.942 7.690 ( -0.056 -4.542 -4.893) 6.676 7.925 ( 15.742 1.559 -9.428) 18.415 8.373 ( -9.815 -11.087 6.443) 16.148 8.981 ( -2.643 13.573 6.525) 15.290 9.391 ( -0.082 -0.420 3.019) 3.049 17.207 ( -1.247 0.698 1.821) 2.314 17.388 ( -1.590 -2.330 2.439) 3.729 17.596 ( -1.289 -0.158 -3.942) 4.151 17.796 ( 0.487 2.164 -2.349) 3.230 18.422 ( 1.884 -1.623 -2.400) 3.456 18.633 ( 6.972 -7.996 -4.585) 11.557 ======================= Grid point 447 (211/226) ======================= q-point: ( 0.45 0.64 0.27) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( -1.265 -6.371 9.139) 11.212 1.731 ( 0.948 -9.273 0.051) 9.321 1.846 ( 4.252 1.200 -8.426) 9.514 2.455 ( -0.334 1.638 -0.947) 1.922 2.557 ( 2.915 -3.880 3.324) 5.882 3.346 ( 0.694 4.546 0.350) 4.612 4.772 ( 3.693 9.904 6.888) 12.616 5.186 ( -0.275 4.395 3.575) 5.672 5.347 ( -16.525 9.116 -18.740) 26.596 6.366 ( 10.588 -12.635 11.929) 20.349 6.804 ( -0.563 1.657 -2.914) 3.399 6.907 ( 4.821 -7.751 -3.163) 9.660 7.190 ( -1.656 -10.332 -7.524) 12.888 7.646 ( -0.342 -1.687 -0.605) 1.825 7.950 ( -9.112 -12.147 13.498) 20.317 8.364 ( 13.344 6.596 -9.894) 17.874 9.052 ( -5.902 7.777 4.449) 10.729 9.408 ( 0.466 1.560 0.161) 1.636 17.218 ( -1.074 1.223 3.564) 3.918 17.362 ( -0.064 -1.478 2.458) 2.869 17.551 ( -1.120 -0.417 -2.674) 2.929 17.797 ( -0.436 1.028 -2.249) 2.511 18.426 ( 1.700 -1.916 -1.304) 2.874 18.618 ( 5.283 -12.015 -2.079) 13.288 ======================= Grid point 448 (212/226) ======================= q-point: ( 0.55 0.64 0.27) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( 0.432 -7.230 8.519) 11.182 1.678 ( 1.216 -5.102 -1.474) 5.448 1.868 ( 1.122 -3.770 1.782) 4.318 2.397 ( -3.119 -1.374 -3.219) 4.688 2.603 ( 2.360 -1.410 2.786) 3.914 3.439 ( 5.199 7.290 -8.066) 12.051 4.977 ( 5.147 8.009 -0.064) 9.521 5.012 ( -16.111 6.756 -14.391) 22.635 5.307 ( 0.187 10.182 10.697) 14.769 6.418 ( 6.544 -17.558 1.063) 18.768 6.735 ( -2.812 -1.811 -5.833) 6.724 6.941 ( 8.145 -5.978 0.467) 10.114 7.106 ( 1.996 -5.055 5.322) 7.607 7.595 ( -4.730 -9.290 9.410) 14.044 7.759 ( -8.114 -4.341 10.434) 13.912 8.638 ( 14.201 7.515 -7.911) 17.909 8.986 ( -9.015 4.172 -1.308) 10.020 9.437 ( 0.432 2.599 -1.251) 2.917 17.224 ( -1.303 1.076 1.893) 2.538 17.407 ( 3.036 -1.089 6.336) 7.110 17.513 ( -1.786 0.875 -2.157) 2.934 17.779 ( -0.790 0.273 -1.708) 1.901 18.417 ( 0.124 -2.073 -0.815) 2.231 18.561 ( 3.199 -12.896 1.489) 13.370 ======================= Grid point 449 (213/226) ======================= q-point: (-0.36 -0.36 -0.73) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( 4.465 -6.404 9.501) 12.297 1.638 ( -1.016 -1.507 -2.518) 3.106 1.784 ( -6.376 -10.865 8.542) 15.220 2.359 ( 2.634 1.468 -4.849) 5.710 2.624 ( -0.939 0.213 0.938) 1.344 3.518 ( 2.050 7.118 -14.388) 16.182 4.773 ( -7.976 5.790 -10.365) 14.303 5.103 ( 5.091 3.377 -4.277) 7.458 5.508 ( 1.284 7.521 11.097) 13.467 6.305 ( 0.748 -8.885 -2.583) 9.282 6.692 ( 1.751 -1.788 0.860) 2.646 6.955 ( -3.302 -1.768 1.761) 4.139 7.221 ( 7.766 -6.057 11.572) 15.196 7.437 ( -4.632 -15.181 17.493) 23.620 7.727 ( -0.565 1.322 2.194) 2.623 8.738 ( -10.055 2.444 -3.654) 10.973 8.964 ( 9.027 7.734 -7.866) 14.254 9.441 ( -0.847 0.753 -2.462) 2.710 17.229 ( -0.165 1.291 0.165) 1.312 17.442 ( -0.972 -3.741 1.963) 4.335 17.530 ( 1.159 4.179 3.961) 5.874 17.767 ( 0.332 0.315 -0.559) 0.723 18.379 ( -1.083 -3.914 1.561) 4.350 18.507 ( 0.986 -7.970 3.557) 8.783 ======================= Grid point 450 (214/226) ======================= q-point: (-0.27 -0.36 -0.73) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.536 ( -3.420 -1.051 -0.659) 3.638 1.594 ( -1.661 -8.393 8.417) 12.002 1.623 ( 1.927 -6.375 11.570) 13.350 2.429 ( 5.084 2.966 -4.988) 7.715 2.578 ( -5.071 1.912 -2.086) 5.807 3.446 ( -4.273 1.523 -14.765) 15.447 4.739 ( 2.427 4.974 -5.240) 7.622 5.207 ( 6.260 5.213 -5.805) 10.003 5.507 ( -0.873 -10.679 -6.070) 12.315 6.360 ( -2.509 11.762 14.567) 18.890 6.748 ( 4.068 -2.592 3.617) 6.029 6.857 ( -5.817 -1.482 7.139) 9.327 7.202 ( -7.336 -5.373 10.888) 14.186 7.505 ( 10.829 -8.271 8.970) 16.313 7.773 ( 4.446 -1.513 3.661) 5.955 8.500 ( -14.377 4.286 -9.272) 17.636 9.160 ( 7.939 5.614 -3.185) 10.232 9.387 ( -1.761 -2.641 -4.491) 5.499 17.237 ( -0.218 0.556 -0.587) 0.837 17.389 ( -1.637 -1.299 -1.167) 2.394 17.607 ( 0.101 2.789 4.747) 5.507 17.787 ( 1.254 -0.815 0.805) 1.698 18.344 ( -1.101 -2.275 5.724) 6.257 18.484 ( -0.334 -1.989 3.083) 3.684 ======================= Grid point 534 (215/226) ======================= q-point: ( 0.36 0.36 0.36) 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 2.98e-04 3.39e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( -0.000 0.000 14.842) 14.842 1.594 ( -0.000 0.000 14.842) 14.842 2.145 ( -0.000 0.000 24.589) 24.589 2.410 ( 0.000 -0.000 -9.010) 9.010 2.410 ( 0.000 -0.000 -9.010) 9.010 3.404 ( 0.000 -0.000 -22.911) 22.911 4.753 ( 0.000 -0.000 -10.119) 10.119 4.753 ( 0.000 -0.000 -10.119) 10.119 5.360 ( 0.000 -0.000 -8.088) 8.088 6.661 ( -0.000 0.000 3.776) 3.776 6.661 ( -0.000 0.000 3.776) 3.776 7.513 ( -0.000 0.000 12.477) 12.477 7.513 ( -0.000 0.000 12.477) 12.477 7.538 ( -0.000 0.000 1.541) 1.541 7.960 ( -0.000 0.000 16.649) 16.649 8.623 ( 0.000 -0.000 -8.938) 8.938 8.623 ( 0.000 -0.000 -8.938) 8.938 9.506 ( 0.000 -0.000 -8.129) 8.129 17.198 ( -0.000 0.000 2.074) 2.074 17.198 ( -0.000 0.000 2.074) 2.074 17.765 ( 0.000 -0.000 -0.081) 0.081 17.765 ( 0.000 0.000 -0.081) 0.081 18.580 ( -0.000 0.000 0.986) 0.986 19.264 ( 0.000 -0.000 -1.365) 1.365 ======================= Grid point 535 (216/226) ======================= q-point: ( 0.45 0.36 0.36) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.561 ( -3.640 -3.550 14.995) 15.834 1.788 ( 2.704 3.522 7.916) 9.076 2.194 ( -6.874 2.145 6.559) 9.740 2.306 ( 2.148 -7.286 -4.596) 8.878 2.534 ( 7.010 5.356 6.038) 10.691 3.242 ( -2.453 -0.414 -19.743) 19.899 4.588 ( -4.086 -1.967 -3.412) 5.675 4.873 ( 10.802 4.741 -13.711) 18.087 5.290 ( -1.958 -0.665 -6.625) 6.940 6.654 ( -1.464 -0.785 5.040) 5.306 6.717 ( 1.349 0.833 1.732) 2.348 7.305 ( -13.834 -9.110 14.390) 21.943 7.555 ( 0.970 -0.409 0.197) 1.071 7.713 ( 0.219 7.034 5.103) 8.693 8.154 ( 10.031 -1.481 12.985) 16.474 8.451 ( -1.441 -7.339 -4.321) 8.638 8.670 ( -1.573 8.763 -12.167) 15.076 9.411 ( -3.228 -2.532 -4.034) 5.754 17.196 ( -1.252 1.102 2.150) 2.721 17.250 ( 3.277 0.552 0.818) 3.422 17.740 ( -3.071 1.229 0.118) 3.310 17.755 ( 0.555 -2.826 -0.433) 2.912 18.565 ( -1.635 -1.159 0.390) 2.042 19.196 ( -5.101 -3.049 -1.357) 6.096 ======================= Grid point 536 (217/226) ======================= q-point: ( 0.55 0.36 0.36) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.575 ( -2.330 -2.237 13.951) 14.320 1.815 ( -1.599 -1.579 -4.338) 4.885 2.118 ( -5.171 0.313 -1.625) 5.430 2.286 ( 2.399 -1.690 1.142) 3.149 2.709 ( 0.643 1.557 7.041) 7.239 3.129 ( 1.705 2.040 -7.409) 7.871 4.541 ( -0.690 0.451 4.065) 4.147 5.021 ( 10.889 1.615 -14.388) 18.116 5.235 ( 1.469 3.044 -7.500) 8.226 6.632 ( -6.140 -1.603 9.102) 11.096 6.738 ( 0.585 -1.043 0.056) 1.197 7.091 ( -10.150 -6.180 11.144) 16.291 7.547 ( -1.735 -0.304 -3.334) 3.771 7.723 ( -1.288 0.136 -3.731) 3.950 8.257 ( -5.712 -5.859 -8.558) 11.841 8.457 ( 15.043 -9.484 10.745) 20.777 8.626 ( -8.106 16.330 -5.627) 19.079 9.358 ( 0.635 -1.109 1.141) 1.713 17.200 ( -0.889 1.192 1.463) 2.086 17.328 ( 3.924 1.911 0.197) 4.369 17.674 ( -3.662 -1.094 -2.028) 4.326 17.747 ( 0.703 -1.348 0.332) 1.556 18.510 ( -2.649 -1.947 -0.345) 3.306 19.016 ( -9.369 -5.625 -1.856) 11.085 ======================= Grid point 537 (218/226) ======================= q-point: ( 0.64 0.36 0.36) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.581 ( -2.884 -2.769 7.141) 8.184 1.704 ( -2.718 -3.071 -7.233) 8.315 1.995 ( -5.849 -2.107 -5.310) 8.176 2.325 ( 0.153 0.552 2.910) 2.966 2.665 ( -4.256 -0.248 -1.024) 4.384 3.277 ( 8.077 3.740 9.255) 12.841 4.616 ( 1.396 4.385 9.379) 10.447 5.059 ( 3.335 -3.104 -3.275) 5.612 5.356 ( 12.358 7.262 -15.950) 21.444 6.495 ( -13.371 -4.608 13.217) 19.358 6.726 ( 0.428 -2.356 -1.082) 2.628 6.992 ( -3.310 -1.065 3.501) 4.934 7.418 ( -3.709 -5.961 -10.219) 12.398 7.706 ( 2.284 -1.731 -2.423) 3.753 7.894 ( -16.569 -4.907 -18.518) 25.328 8.657 ( -1.228 9.911 2.830) 10.380 8.734 ( 11.269 -1.844 10.823) 15.733 9.397 ( 1.970 0.835 1.771) 2.778 17.209 ( 0.156 0.835 0.572) 1.024 17.419 ( 2.956 3.167 0.936) 4.432 17.576 ( -2.593 -2.617 -5.413) 6.547 17.754 ( 0.749 -0.370 0.595) 1.026 18.444 ( -2.519 -1.585 -0.561) 3.028 18.756 ( -11.191 -6.757 -2.942) 13.399 ======================= Grid point 546 (219/226) ======================= q-point: ( 0.45 0.45 0.36) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.624 ( -0.783 -6.763 13.018) 14.691 1.851 ( 0.787 4.375 6.419) 7.808 2.127 ( 1.559 -10.497 -1.112) 10.670 2.370 ( -2.848 2.654 -6.503) 7.579 2.585 ( 0.932 8.954 15.307) 17.758 3.138 ( 0.636 1.721 -18.998) 19.087 4.611 ( 0.586 0.545 -1.300) 1.527 4.746 ( -1.307 4.928 -11.116) 12.230 5.255 ( 0.286 -1.885 -5.121) 5.464 6.679 ( -0.141 -0.879 3.687) 3.793 6.732 ( 0.210 2.054 0.909) 2.256 7.464 ( -1.267 -9.440 10.712) 14.334 7.564 ( -4.326 -1.409 3.558) 5.776 7.638 ( 8.397 -4.828 3.081) 10.164 8.186 ( -5.151 -3.128 5.078) 7.880 8.408 ( -2.737 -0.168 0.778) 2.850 8.661 ( 5.632 7.857 -9.805) 13.769 9.392 ( -0.525 -1.749 -3.933) 4.337 17.213 ( 1.861 -0.199 1.513) 2.406 17.246 ( -1.542 2.247 0.780) 2.834 17.714 ( 0.405 -4.273 0.816) 4.369 17.775 ( -0.508 0.397 -0.808) 1.034 18.568 ( -0.144 -2.108 0.277) 2.131 19.187 ( -0.061 -6.284 -0.979) 6.360 ======================= Grid point 547 (220/226) ======================= q-point: ( 0.55 0.45 0.36) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( -0.094 -4.975 12.903) 13.829 1.848 ( -4.487 0.332 -4.416) 6.304 2.045 ( 0.407 -10.370 -0.462) 10.388 2.339 ( -0.462 4.568 -0.659) 4.638 2.750 ( 0.913 -0.082 7.642) 7.697 3.099 ( 1.450 9.184 -10.628) 14.121 4.618 ( -1.753 4.461 5.125) 7.017 4.794 ( 7.854 3.623 -10.619) 13.695 5.207 ( -0.349 -0.866 -4.188) 4.291 6.698 ( 0.225 -0.146 3.862) 3.871 6.746 ( -0.913 0.510 -0.546) 1.180 7.288 ( -11.209 -10.264 12.719) 19.818 7.528 ( -1.169 -4.621 -5.127) 7.001 7.659 ( 0.229 -4.822 -4.727) 6.757 8.181 ( 11.414 -13.151 12.832) 21.631 8.356 ( -9.378 4.588 -3.396) 10.978 8.770 ( 2.718 11.830 -8.484) 14.809 9.351 ( -0.525 -0.568 0.542) 0.944 17.232 ( -0.447 0.673 -0.868) 1.185 17.286 ( 2.621 2.511 1.409) 3.893 17.668 ( -1.169 -5.011 -0.071) 5.146 17.757 ( -0.886 0.256 0.128) 0.931 18.525 ( -1.772 -2.915 0.111) 3.413 19.060 ( -5.051 -9.129 -0.736) 10.459 ======================= Grid point 548 (221/226) ======================= q-point: ( 0.64 0.45 0.36) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.613 ( -4.535 -3.770 -1.840) 6.177 1.750 ( -3.903 -1.969 5.250) 6.832 1.934 ( 0.653 -8.499 -3.013) 9.041 2.393 ( -0.548 4.292 1.000) 4.441 2.694 ( -3.425 -3.875 -3.548) 6.272 3.242 ( 6.056 6.824 3.446) 9.753 4.739 ( 2.824 8.492 10.303) 13.647 4.908 ( 6.151 3.653 -6.103) 9.403 5.204 ( 3.730 2.532 -6.384) 7.816 6.674 ( -5.523 -5.182 -0.675) 7.603 6.724 ( -0.832 0.624 4.892) 5.002 7.086 ( -8.267 -8.981 9.014) 15.174 7.310 ( -4.560 -11.560 -10.710) 16.405 7.645 ( 1.334 -0.430 -0.476) 1.481 8.084 ( -16.421 1.867 -13.799) 21.530 8.411 ( 15.420 -9.689 11.602) 21.593 8.885 ( 0.077 12.679 -2.538) 12.930 9.377 ( 1.944 0.707 2.009) 2.884 17.223 ( -0.561 1.222 -1.463) 1.987 17.373 ( 3.988 2.139 -0.678) 4.576 17.574 ( -3.310 -4.015 -1.473) 5.408 17.760 ( 0.074 0.452 1.546) 1.612 18.464 ( -2.080 -2.522 0.418) 3.296 18.834 ( -8.874 -10.483 -0.835) 13.760 ======================= Grid point 557 (222/226) ======================= q-point: ( 0.45 0.55 0.36) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( -0.365 -6.164 11.515) 13.066 1.861 ( 4.249 2.880 -3.376) 6.143 2.020 ( -0.528 -10.072 1.446) 10.189 2.365 ( 1.046 4.163 -4.132) 5.958 2.731 ( -0.243 -1.478 8.397) 8.530 3.085 ( -1.618 8.414 -8.320) 11.943 4.602 ( 2.397 3.731 4.827) 6.555 4.842 ( -10.087 6.830 -13.691) 18.326 5.192 ( 1.358 -2.034 -2.579) 3.554 6.690 ( 0.958 -1.898 4.946) 5.384 6.749 ( 0.074 1.697 -1.090) 2.018 7.304 ( 13.069 -9.180 11.705) 19.801 7.507 ( 0.182 -8.296 -4.226) 9.312 7.637 ( -3.199 -1.873 -0.209) 3.712 8.259 ( -11.478 -13.528 3.785) 18.140 8.415 ( 11.956 3.861 -10.789) 16.561 8.643 ( -2.716 11.715 5.378) 13.174 9.370 ( 0.032 0.450 -1.302) 1.378 17.202 ( 0.331 -0.441 2.138) 2.208 17.303 ( -1.949 2.699 -0.281) 3.341 17.661 ( 1.178 -4.857 0.647) 5.040 17.770 ( 0.518 0.676 -1.205) 1.476 18.530 ( 1.640 -2.650 -0.363) 3.137 19.062 ( 4.967 -9.031 -0.952) 10.351 ======================= Grid point 558 (223/226) ======================= q-point: ( 0.55 0.55 0.36) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.653 ( 1.309 -5.703 11.429) 12.839 1.825 ( -1.631 -3.658 -11.951) 12.604 2.010 ( 0.316 -5.177 9.289) 10.639 2.348 ( -0.673 1.918 -4.620) 5.048 2.748 ( 0.531 -4.838 2.940) 5.686 3.142 ( 0.551 13.849 -7.581) 15.797 4.683 ( -2.370 2.920 -10.807) 11.443 4.772 ( 1.818 10.058 10.799) 14.869 5.179 ( 0.074 -1.124 -1.136) 1.600 6.709 ( 0.554 -0.802 3.175) 3.321 6.747 ( -0.452 -0.146 -3.495) 3.527 7.306 ( -2.531 -15.478 -8.710) 17.940 7.437 ( 3.304 -7.363 7.289) 10.875 7.646 ( 0.756 1.216 2.977) 3.303 8.017 ( -2.016 -16.464 13.744) 21.541 8.568 ( -4.780 7.501 -0.558) 8.913 8.697 ( 5.608 8.212 -10.040) 14.131 9.367 ( -0.372 1.208 -0.224) 1.284 17.215 ( 0.628 -0.366 -0.070) 0.730 17.320 ( -0.396 4.149 1.005) 4.287 17.631 ( 0.192 -5.512 2.215) 5.944 17.764 ( -0.302 0.003 -1.269) 1.305 18.510 ( -0.103 -3.434 -0.235) 3.444 18.997 ( -0.007 -11.806 0.088) 11.806 ======================= Grid point 559 (224/226) ======================= q-point: (-0.36 -0.45 -0.64) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( -5.350 -3.036 -7.760) 9.903 1.741 ( 5.547 -5.399 8.756) 11.687 1.919 ( -7.890 -5.756 3.530) 10.385 2.387 ( 4.214 1.594 -1.248) 4.675 2.678 ( -2.642 -5.178 -2.555) 6.350 3.252 ( 2.293 9.821 -5.026) 11.268 4.662 ( 4.777 1.674 -7.818) 9.314 5.029 ( 3.374 14.668 14.463) 20.874 5.167 ( -0.928 1.766 0.450) 2.045 6.639 ( -2.839 -8.646 -9.557) 13.196 6.749 ( 1.557 0.448 2.874) 3.299 7.068 ( -2.805 -12.192 -5.086) 13.505 7.361 ( -8.603 -6.213 8.448) 13.564 7.652 ( -1.659 0.717 2.462) 3.054 8.066 ( 11.305 -15.132 13.800) 23.393 8.385 ( -14.831 4.630 -7.249) 17.145 8.885 ( 8.602 9.859 -7.893) 15.281 9.382 ( 0.099 1.489 0.987) 1.790 17.217 ( 0.614 0.501 -2.449) 2.574 17.364 ( -0.065 3.389 0.391) 3.412 17.582 ( -1.724 -4.026 2.218) 4.910 17.765 ( 0.758 0.295 0.747) 1.104 18.465 ( -1.013 -3.236 0.503) 3.428 18.837 ( -4.617 -12.739 1.176) 13.601 ======================= Grid point 668 (225/226) ======================= q-point: ( 0.45 0.45 0.45) 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 2.98e-04 3.39e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.798 ( -0.000 0.000 6.349) 6.349 1.798 ( -0.000 0.000 6.349) 6.349 2.280 ( 0.000 -0.000 -4.226) 4.226 2.280 ( 0.000 -0.000 -4.226) 4.226 2.567 ( -0.000 0.000 20.249) 20.249 3.006 ( 0.000 -0.000 -19.512) 19.512 4.618 ( 0.000 -0.000 -3.886) 3.886 4.618 ( 0.000 -0.000 -3.886) 3.886 5.251 ( 0.000 -0.000 -3.232) 3.232 6.710 ( -0.000 0.000 1.382) 1.382 6.710 ( -0.000 0.000 1.382) 1.382 7.551 ( -0.000 0.000 0.253) 0.253 7.694 ( -0.000 0.000 5.886) 5.886 7.694 ( -0.000 0.000 5.886) 5.886 8.196 ( -0.000 0.000 7.306) 7.306 8.485 ( 0.000 -0.000 -4.718) 4.718 8.485 ( 0.000 -0.000 -4.718) 4.718 9.383 ( 0.000 -0.000 -4.130) 4.130 17.225 ( -0.000 0.000 0.796) 0.796 17.225 ( -0.000 0.000 0.796) 0.796 17.764 ( 0.000 -0.000 -0.052) 0.052 17.764 ( 0.000 -0.000 -0.052) 0.052 18.593 ( -0.000 0.000 0.385) 0.385 19.245 ( 0.000 -0.000 -0.529) 0.529 ======================= Grid point 669 (226/226) ======================= q-point: ( 0.55 0.45 0.45) 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 2.98e-04 3.39e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.795 ( -0.659 -3.366 7.258) 8.027 1.807 ( -3.429 0.842 -3.122) 4.713 2.178 ( -6.001 -2.615 -4.836) 8.138 2.277 ( 2.059 0.327 2.732) 3.437 2.798 ( 4.885 3.035 17.645) 18.559 2.897 ( 2.853 1.667 -17.565) 17.873 4.597 ( 0.220 0.546 4.449) 4.488 4.670 ( 5.529 2.591 -7.513) 9.682 5.215 ( -1.733 -0.921 -1.068) 2.234 6.719 ( 0.616 -0.357 1.209) 1.403 6.725 ( 0.237 0.866 -0.105) 0.904 7.538 ( -8.061 -3.454 6.821) 11.110 7.555 ( -4.461 -4.351 2.111) 6.579 7.698 ( -2.808 -0.605 -5.808) 6.480 8.277 ( 0.097 -0.489 -1.967) 2.029 8.444 ( 3.075 -3.840 -0.007) 4.920 8.516 ( 1.719 6.872 1.126) 7.172 9.359 ( -0.233 -0.288 -0.787) 0.870 17.223 ( -0.613 0.062 0.574) 0.842 17.255 ( 2.342 1.016 -0.180) 2.560 17.731 ( -2.884 -1.506 -0.913) 3.380 17.760 ( -0.111 -0.252 0.711) 0.762 18.570 ( -2.063 -1.226 0.088) 2.401 19.180 ( -5.441 -3.156 -0.257) 6.296 =================== 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 3/31944 10.0 167.379 167.379 214.133 0.000 -0.000 -0.000 3/31944 20.0 61.039 61.039 80.999 0.000 -0.000 -0.000 3/31944 30.0 34.203 34.203 45.083 0.000 -0.000 -0.000 3/31944 40.0 23.306 23.306 30.540 0.000 -0.000 -0.000 3/31944 50.0 17.462 17.462 22.825 0.000 -0.000 -0.000 3/31944 60.0 13.818 13.818 18.052 0.000 -0.000 -0.000 3/31944 70.0 11.352 11.352 14.832 0.000 -0.000 -0.000 3/31944 80.0 9.594 9.594 12.536 0.000 -0.000 -0.000 3/31944 90.0 8.290 8.290 10.833 0.000 -0.000 -0.000 3/31944 100.0 7.294 7.294 9.528 0.000 -0.000 -0.000 3/31944 110.0 6.510 6.510 8.501 0.000 -0.000 -0.000 3/31944 120.0 5.880 5.880 7.674 0.000 -0.000 -0.000 3/31944 130.0 5.363 5.363 6.995 0.000 -0.000 -0.000 3/31944 140.0 4.931 4.931 6.428 0.000 -0.000 -0.000 3/31944 150.0 4.566 4.566 5.947 0.000 -0.000 -0.000 3/31944 160.0 4.252 4.252 5.535 0.000 -0.000 -0.000 3/31944 170.0 3.980 3.980 5.177 0.000 -0.000 -0.000 3/31944 180.0 3.742 3.742 4.864 0.000 -0.000 -0.000 3/31944 190.0 3.531 3.531 4.588 0.000 -0.000 -0.000 3/31944 200.0 3.344 3.344 4.342 0.000 -0.000 -0.000 3/31944 210.0 3.176 3.176 4.121 0.000 -0.000 -0.000 3/31944 220.0 3.025 3.025 3.923 0.000 -0.000 -0.000 3/31944 230.0 2.888 2.888 3.743 0.000 -0.000 -0.000 3/31944 240.0 2.763 2.763 3.579 0.000 -0.000 -0.000 3/31944 250.0 2.649 2.649 3.429 0.000 -0.000 -0.000 3/31944 260.0 2.544 2.544 3.292 0.000 -0.000 -0.000 3/31944 270.0 2.447 2.447 3.165 0.000 -0.000 -0.000 3/31944 280.0 2.357 2.357 3.048 0.000 -0.000 -0.000 3/31944 290.0 2.274 2.274 2.939 0.000 -0.000 -0.000 3/31944 300.0 2.197 2.197 2.838 0.000 -0.000 -0.000 3/31944 310.0 2.125 2.125 2.744 0.000 -0.000 -0.000 3/31944 320.0 2.057 2.057 2.656 0.000 -0.000 -0.000 3/31944 330.0 1.994 1.994 2.574 0.000 -0.000 -0.000 3/31944 340.0 1.935 1.935 2.496 0.000 -0.000 -0.000 3/31944 350.0 1.879 1.879 2.423 0.000 -0.000 -0.000 3/31944 360.0 1.826 1.826 2.355 0.000 -0.000 -0.000 3/31944 370.0 1.776 1.776 2.290 0.000 -0.000 -0.000 3/31944 380.0 1.729 1.729 2.228 0.000 -0.000 -0.000 3/31944 390.0 1.684 1.684 2.170 0.000 -0.000 -0.000 3/31944 400.0 1.642 1.642 2.115 0.000 -0.000 -0.000 3/31944 410.0 1.602 1.602 2.063 0.000 -0.000 -0.000 3/31944 420.0 1.563 1.563 2.013 0.000 -0.000 -0.000 3/31944 430.0 1.527 1.527 1.966 0.000 -0.000 -0.000 3/31944 440.0 1.492 1.492 1.920 0.000 -0.000 -0.000 3/31944 450.0 1.458 1.458 1.877 0.000 -0.000 -0.000 3/31944 460.0 1.427 1.427 1.836 0.000 -0.000 -0.000 3/31944 470.0 1.396 1.396 1.796 0.000 -0.000 -0.000 3/31944 480.0 1.367 1.367 1.759 0.000 -0.000 -0.000 3/31944 490.0 1.339 1.339 1.722 0.000 -0.000 -0.000 3/31944 500.0 1.312 1.312 1.688 0.000 -0.000 -0.000 3/31944 510.0 1.286 1.286 1.654 0.000 -0.000 -0.000 3/31944 520.0 1.261 1.261 1.622 0.000 -0.000 -0.000 3/31944 530.0 1.238 1.238 1.591 0.000 -0.000 -0.000 3/31944 540.0 1.215 1.215 1.562 0.000 -0.000 -0.000 3/31944 550.0 1.193 1.193 1.533 0.000 -0.000 -0.000 3/31944 560.0 1.171 1.171 1.505 0.000 -0.000 -0.000 3/31944 570.0 1.151 1.151 1.479 0.000 -0.000 -0.000 3/31944 580.0 1.131 1.131 1.453 0.000 -0.000 -0.000 3/31944 590.0 1.112 1.112 1.428 0.000 -0.000 -0.000 3/31944 600.0 1.093 1.093 1.404 0.000 -0.000 -0.000 3/31944 610.0 1.075 1.075 1.381 0.000 -0.000 -0.000 3/31944 620.0 1.058 1.058 1.359 0.000 -0.000 -0.000 3/31944 630.0 1.041 1.041 1.337 0.000 -0.000 -0.000 3/31944 640.0 1.025 1.025 1.316 0.000 -0.000 -0.000 3/31944 650.0 1.009 1.009 1.296 0.000 -0.000 -0.000 3/31944 660.0 0.994 0.994 1.276 0.000 -0.000 -0.000 3/31944 670.0 0.979 0.979 1.257 0.000 -0.000 -0.000 3/31944 680.0 0.964 0.964 1.238 0.000 -0.000 -0.000 3/31944 690.0 0.950 0.950 1.220 0.000 -0.000 -0.000 3/31944 700.0 0.937 0.937 1.203 0.000 -0.000 -0.000 3/31944 710.0 0.924 0.924 1.186 0.000 -0.000 -0.000 3/31944 720.0 0.911 0.911 1.169 0.000 -0.000 -0.000 3/31944 730.0 0.898 0.898 1.153 0.000 -0.000 -0.000 3/31944 740.0 0.886 0.886 1.137 0.000 -0.000 -0.000 3/31944 750.0 0.874 0.874 1.122 0.000 -0.000 -0.000 3/31944 760.0 0.863 0.863 1.107 0.000 -0.000 -0.000 3/31944 770.0 0.852 0.852 1.093 0.000 -0.000 -0.000 3/31944 780.0 0.841 0.841 1.079 0.000 -0.000 -0.000 3/31944 790.0 0.830 0.830 1.065 0.000 -0.000 -0.000 3/31944 800.0 0.820 0.820 1.052 0.000 -0.000 -0.000 3/31944 810.0 0.809 0.809 1.039 0.000 -0.000 -0.000 3/31944 820.0 0.800 0.800 1.026 0.000 -0.000 -0.000 3/31944 830.0 0.790 0.790 1.014 0.000 -0.000 -0.000 3/31944 840.0 0.781 0.781 1.002 0.000 -0.000 -0.000 3/31944 850.0 0.771 0.771 0.990 0.000 -0.000 -0.000 3/31944 860.0 0.762 0.762 0.978 0.000 -0.000 -0.000 3/31944 870.0 0.754 0.754 0.967 0.000 -0.000 -0.000 3/31944 880.0 0.745 0.745 0.956 0.000 -0.000 -0.000 3/31944 890.0 0.737 0.737 0.945 0.000 -0.000 -0.000 3/31944 900.0 0.729 0.729 0.935 0.000 -0.000 -0.000 3/31944 910.0 0.721 0.721 0.924 0.000 -0.000 -0.000 3/31944 920.0 0.713 0.713 0.914 0.000 -0.000 -0.000 3/31944 930.0 0.705 0.705 0.904 0.000 -0.000 -0.000 3/31944 940.0 0.698 0.698 0.895 0.000 -0.000 -0.000 3/31944 950.0 0.690 0.690 0.885 0.000 -0.000 -0.000 3/31944 960.0 0.683 0.683 0.876 0.000 -0.000 -0.000 3/31944 970.0 0.676 0.676 0.867 0.000 -0.000 -0.000 3/31944 980.0 0.669 0.669 0.858 0.000 -0.000 -0.000 3/31944 990.0 0.662 0.662 0.850 0.000 -0.000 -0.000 3/31944 1000.0 0.656 0.656 0.841 0.000 -0.000 -0.000 3/31944 Thermal conductivity related properties were written into "kappa-m111111.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:49:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|