----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 00:35:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmc2_1 (36) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.941320665000000 -2.894206100000000 0.000000000000000 b 4.941320665000000 2.894206100000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.129483750000000 Atomic positions (fractional): *1 N 0.74245712689320 0.25754287310680 0.04605657474886 14.007 2 N 0.25754287310680 0.74245712689320 0.54605657474886 14.007 *3 N 0.65866143974340 0.92364980669493 0.61962478408460 14.007 4 N 0.07635019330507 0.34133856025660 0.61962478408460 14.007 5 N 0.92364980669493 0.65866143974341 0.11962478408460 14.007 6 N 0.34133856025659 0.07635019330507 0.11962478408460 14.007 *7 Na 0.66172477136161 0.33827522863839 0.50622752651835 22.990 8 Na 0.33827522863839 0.66172477136161 0.00622752651835 22.990 *9 Ge 0.01153378790812 0.32437670163902 0.97523317028179 72.640 10 Ge 0.98846621209188 0.67562329836098 0.47523317028179 72.640 11 Ge 0.32437670163902 0.01153378790812 0.47523317028179 72.640 12 Ge 0.67562329836098 0.98846621209188 0.97523317028179 72.640 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.882641330000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.788412200000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.129483750000000 Atomic positions (fractional): *1 N 0.50000000000000 0.75754287310680 0.04605657474886 14.007 > 1 2 N 0.50000000000000 0.24245712689320 0.54605657474886 14.007 > 2 *3 N 0.79115562321917 0.13249418347576 0.61962478408460 14.007 > 3 4 N 0.20884437678083 0.13249418347576 0.61962478408460 14.007 > 4 5 N 0.79115562321917 0.86750581652424 0.11962478408460 14.007 > 5 6 N 0.20884437678083 0.86750581652424 0.11962478408460 14.007 > 6 7 N 0.00000000000000 0.25754287310680 0.04605657474886 14.007 > 1 8 N 0.00000000000000 0.74245712689320 0.54605657474886 14.007 > 2 9 N 0.29115562321917 0.63249418347576 0.61962478408460 14.007 > 3 10 N 0.70884437678083 0.63249418347576 0.61962478408460 14.007 > 4 11 N 0.29115562321917 0.36750581652424 0.11962478408460 14.007 > 5 12 N 0.70884437678083 0.36750581652424 0.11962478408460 14.007 > 6 *13 Na 0.50000000000000 0.83827522863839 0.50622752651835 22.990 > 7 14 Na 0.50000000000000 0.16172477136161 0.00622752651835 22.990 > 8 15 Na 0.00000000000000 0.33827522863839 0.50622752651835 22.990 > 7 16 Na 0.00000000000000 0.66172477136161 0.00622752651835 22.990 > 8 *17 Ge 0.16795524477357 0.15642145686545 0.97523317028179 72.640 > 9 18 Ge 0.83204475522643 0.84357854313455 0.47523317028179 72.640 > 10 19 Ge 0.16795524477357 0.84357854313455 0.47523317028179 72.640 > 11 20 Ge 0.83204475522643 0.15642145686545 0.97523317028179 72.640 > 12 21 Ge 0.66795524477357 0.65642145686545 0.97523317028179 72.640 > 9 22 Ge 0.33204475522643 0.34357854313455 0.47523317028179 72.640 > 10 23 Ge 0.66795524477357 0.34357854313455 0.47523317028179 72.640 > 11 24 Ge 0.33204475522643 0.65642145686545 0.97523317028179 72.640 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.882641330000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.576824400000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.258967500000001 Atomic positions (fractional): *1 N 0.50000000000000 0.37877143655340 0.02302828737443 14.007 > 1 2 N 0.50000000000000 0.87877143655340 0.02302828737443 14.007 > 1 3 N 0.50000000000000 0.37877143655340 0.52302828737443 14.007 > 1 4 N 0.50000000000000 0.87877143655340 0.52302828737443 14.007 > 1 5 N 0.50000000000000 0.12122856344660 0.27302828737443 14.007 > 2 6 N 0.50000000000000 0.62122856344660 0.27302828737443 14.007 > 2 7 N 0.50000000000000 0.12122856344660 0.77302828737443 14.007 > 2 8 N 0.50000000000000 0.62122856344660 0.77302828737443 14.007 > 2 *9 N 0.79115562321917 0.06624709173788 0.30981239204230 14.007 > 3 10 N 0.79115562321917 0.56624709173788 0.30981239204230 14.007 > 3 11 N 0.79115562321917 0.06624709173788 0.80981239204230 14.007 > 3 12 N 0.79115562321917 0.56624709173788 0.80981239204230 14.007 > 3 13 N 0.20884437678083 0.06624709173788 0.30981239204230 14.007 > 4 14 N 0.20884437678083 0.56624709173788 0.30981239204230 14.007 > 4 15 N 0.20884437678083 0.06624709173788 0.80981239204230 14.007 > 4 16 N 0.20884437678083 0.56624709173788 0.80981239204230 14.007 > 4 17 N 0.79115562321917 0.43375290826212 0.05981239204230 14.007 > 5 18 N 0.79115562321917 0.93375290826212 0.05981239204230 14.007 > 5 19 N 0.79115562321917 0.43375290826212 0.55981239204230 14.007 > 5 20 N 0.79115562321917 0.93375290826212 0.55981239204230 14.007 > 5 21 N 0.20884437678083 0.43375290826212 0.05981239204230 14.007 > 6 22 N 0.20884437678083 0.93375290826212 0.05981239204230 14.007 > 6 23 N 0.20884437678083 0.43375290826212 0.55981239204230 14.007 > 6 24 N 0.20884437678083 0.93375290826212 0.55981239204230 14.007 > 6 25 N 0.00000000000000 0.12877143655340 0.02302828737443 14.007 > 1 26 N 0.00000000000000 0.62877143655340 0.02302828737443 14.007 > 1 27 N 0.00000000000000 0.12877143655340 0.52302828737443 14.007 > 1 28 N 0.00000000000000 0.62877143655340 0.52302828737443 14.007 > 1 29 N 0.00000000000000 0.37122856344660 0.27302828737443 14.007 > 2 30 N 0.00000000000000 0.87122856344660 0.27302828737443 14.007 > 2 31 N 0.00000000000000 0.37122856344660 0.77302828737443 14.007 > 2 32 N 0.00000000000000 0.87122856344660 0.77302828737443 14.007 > 2 33 N 0.29115562321917 0.31624709173788 0.30981239204230 14.007 > 3 34 N 0.29115562321917 0.81624709173788 0.30981239204230 14.007 > 3 35 N 0.29115562321917 0.31624709173788 0.80981239204230 14.007 > 3 36 N 0.29115562321917 0.81624709173788 0.80981239204230 14.007 > 3 37 N 0.70884437678083 0.31624709173788 0.30981239204230 14.007 > 4 38 N 0.70884437678083 0.81624709173788 0.30981239204230 14.007 > 4 39 N 0.70884437678083 0.31624709173788 0.80981239204230 14.007 > 4 40 N 0.70884437678083 0.81624709173788 0.80981239204230 14.007 > 4 41 N 0.29115562321917 0.18375290826212 0.05981239204230 14.007 > 5 42 N 0.29115562321917 0.68375290826212 0.05981239204230 14.007 > 5 43 N 0.29115562321917 0.18375290826212 0.55981239204230 14.007 > 5 44 N 0.29115562321917 0.68375290826212 0.55981239204230 14.007 > 5 45 N 0.70884437678083 0.18375290826212 0.05981239204230 14.007 > 6 46 N 0.70884437678083 0.68375290826212 0.05981239204230 14.007 > 6 47 N 0.70884437678083 0.18375290826212 0.55981239204230 14.007 > 6 48 N 0.70884437678083 0.68375290826212 0.55981239204230 14.007 > 6 *49 Na 0.50000000000000 0.41913761431920 0.25311376325917 22.990 > 7 50 Na 0.50000000000000 0.91913761431920 0.25311376325917 22.990 > 7 51 Na 0.50000000000000 0.41913761431920 0.75311376325917 22.990 > 7 52 Na 0.50000000000000 0.91913761431920 0.75311376325917 22.990 > 7 53 Na 0.50000000000000 0.08086238568080 0.00311376325917 22.990 > 8 54 Na 0.50000000000000 0.58086238568080 0.00311376325917 22.990 > 8 55 Na 0.50000000000000 0.08086238568080 0.50311376325917 22.990 > 8 56 Na 0.50000000000000 0.58086238568080 0.50311376325917 22.990 > 8 57 Na 0.00000000000000 0.16913761431920 0.25311376325917 22.990 > 7 58 Na 0.00000000000000 0.66913761431920 0.25311376325917 22.990 > 7 59 Na 0.00000000000000 0.16913761431920 0.75311376325917 22.990 > 7 60 Na 0.00000000000000 0.66913761431920 0.75311376325917 22.990 > 7 61 Na 0.00000000000000 0.33086238568080 0.00311376325917 22.990 > 8 62 Na 0.00000000000000 0.83086238568080 0.00311376325917 22.990 > 8 63 Na 0.00000000000000 0.33086238568080 0.50311376325917 22.990 > 8 64 Na 0.00000000000000 0.83086238568080 0.50311376325917 22.990 > 8 *65 Ge 0.16795524477357 0.07821072843272 0.48761658514090 72.640 > 9 66 Ge 0.16795524477357 0.57821072843272 0.48761658514090 72.640 > 9 67 Ge 0.16795524477357 0.07821072843272 0.98761658514090 72.640 > 9 68 Ge 0.16795524477357 0.57821072843272 0.98761658514090 72.640 > 9 69 Ge 0.83204475522643 0.42178927156728 0.23761658514090 72.640 > 10 70 Ge 0.83204475522643 0.92178927156728 0.23761658514090 72.640 > 10 71 Ge 0.83204475522643 0.42178927156728 0.73761658514090 72.640 > 10 72 Ge 0.83204475522643 0.92178927156728 0.73761658514090 72.640 > 10 73 Ge 0.16795524477357 0.42178927156728 0.23761658514090 72.640 > 11 74 Ge 0.16795524477357 0.92178927156728 0.23761658514090 72.640 > 11 75 Ge 0.16795524477357 0.42178927156728 0.73761658514090 72.640 > 11 76 Ge 0.16795524477357 0.92178927156728 0.73761658514090 72.640 > 11 77 Ge 0.83204475522643 0.07821072843272 0.48761658514090 72.640 > 12 78 Ge 0.83204475522643 0.57821072843272 0.48761658514090 72.640 > 12 79 Ge 0.83204475522643 0.07821072843272 0.98761658514090 72.640 > 12 80 Ge 0.83204475522643 0.57821072843272 0.98761658514090 72.640 > 12 81 Ge 0.66795524477357 0.32821072843272 0.48761658514090 72.640 > 9 82 Ge 0.66795524477357 0.82821072843272 0.48761658514090 72.640 > 9 83 Ge 0.66795524477357 0.32821072843272 0.98761658514090 72.640 > 9 84 Ge 0.66795524477357 0.82821072843272 0.98761658514090 72.640 > 9 85 Ge 0.33204475522643 0.17178927156728 0.23761658514090 72.640 > 10 86 Ge 0.33204475522643 0.67178927156728 0.23761658514090 72.640 > 10 87 Ge 0.33204475522643 0.17178927156728 0.73761658514090 72.640 > 10 88 Ge 0.33204475522643 0.67178927156728 0.73761658514090 72.640 > 10 89 Ge 0.66795524477357 0.17178927156728 0.23761658514090 72.640 > 11 90 Ge 0.66795524477357 0.67178927156728 0.23761658514090 72.640 > 11 91 Ge 0.66795524477357 0.17178927156728 0.73761658514090 72.640 > 11 92 Ge 0.66795524477357 0.67178927156728 0.73761658514090 72.640 > 11 93 Ge 0.33204475522643 0.32821072843272 0.48761658514090 72.640 > 12 94 Ge 0.33204475522643 0.82821072843272 0.48761658514090 72.640 > 12 95 Ge 0.33204475522643 0.32821072843272 0.98761658514090 72.640 > 12 96 Ge 0.33204475522643 0.82821072843272 0.98761658514090 72.640 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.2761023 0.0000000 0.0000000 0.0000000 4.8657676 0.0000000 0.0000000 0.0000000 4.9948758 -------------------------- Born effective charges -------------------------- 1 N -3.7360758 0.0000000 0.0000000 0.0000000 -1.7653617 -0.0023342 0.0000000 0.0164605 -1.7526829 2 N -3.7360758 0.0000000 0.0000000 0.0000000 -1.7653617 0.0023342 0.0000000 -0.0164605 -1.7526829 3 N -2.2346259 0.6390229 -0.4996500 0.6801641 -2.7523666 -0.0849634 -0.3188233 -0.1874676 -2.8722406 4 N -2.2346259 -0.6390229 0.4996500 -0.6801641 -2.7523666 -0.0849634 0.3188233 -0.1874676 -2.8722406 5 N -2.2346259 -0.6390229 -0.4996500 -0.6801641 -2.7523666 0.0849634 -0.3188233 0.1874676 -2.8722406 6 N -2.2346259 0.6390229 0.4996500 0.6801641 -2.7523666 0.0849634 0.3188233 0.1874676 -2.8722406 7 Na 1.0337469 0.0000000 0.0000000 0.0000000 1.0692833 -0.0322543 0.0000000 -0.0249929 1.0299772 8 Na 1.0337469 0.0000000 0.0000000 0.0000000 1.0692833 0.0322543 0.0000000 0.0249929 1.0299772 9 Ge 3.5857904 -0.3558312 -0.1943619 0.4437642 3.1004058 0.1140963 0.2230620 0.0062198 3.2335935 10 Ge 3.5857904 -0.3558312 0.1943619 0.4437642 3.1004058 -0.1140963 -0.2230620 -0.0062198 3.2335935 11 Ge 3.5857904 0.3558312 -0.1943619 -0.4437642 3.1004058 -0.1140963 0.2230620 -0.0062198 3.2335935 12 Ge 3.5857904 0.3558312 0.1943619 -0.4437642 3.1004058 0.1140963 -0.2230620 0.0062198 3.2335935 ---------------------------------------------------------------------------- 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: 6336/6336 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1348 Number of blocks in projector: 1348 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 320 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 172 Use standard eigh solver. Tree of FC basis block matrices: - (1348, 1320), data: False |-- (172, 168), data: True |-- (172, 168), data: True |-- (172, 168), data: True |-- (256, 252), data: True |-- (256, 252), data: True |-- (320, 312), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 400 - Time: 1.441 Solver_block: 200 / 400 - Time: 1.455 Solver_block: 300 / 400 - Time: 1.457 Solver_block: 400 / 400 - Time: 1.461 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 5.845 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 288/288 Permutation basis: 6336/6336 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1348 Number of blocks in projector: 1348 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 320 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 172 Use standard eigh solver. Tree of FC basis block matrices: - (1348, 1320), data: False |-- (172, 168), data: True |-- (172, 168), data: True |-- (172, 168), data: True |-- (256, 252), data: True |-- (256, 252), data: True |-- (320, 312), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 00:36:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:36:10]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmc2_1 (36) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.941320665000000 -2.894206100000000 0.000000000000000 b 4.941320665000000 2.894206100000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.129483750000000 Atomic positions (fractional): 1 N 0.74245712689320 0.25754287310680 0.04605657474886 14.007 2 N 0.25754287310680 0.74245712689320 0.54605657474886 14.007 3 N 0.65866143974340 0.92364980669493 0.61962478408460 14.007 4 N 0.07635019330507 0.34133856025660 0.61962478408460 14.007 5 N 0.92364980669493 0.65866143974341 0.11962478408460 14.007 6 N 0.34133856025659 0.07635019330507 0.11962478408460 14.007 7 Na 0.66172477136161 0.33827522863839 0.50622752651835 22.990 8 Na 0.33827522863839 0.66172477136161 0.00622752651835 22.990 9 Ge 0.01153378790812 0.32437670163902 0.97523317028179 72.640 10 Ge 0.98846621209188 0.67562329836098 0.47523317028179 72.640 11 Ge 0.32437670163902 0.01153378790812 0.47523317028179 72.640 12 Ge 0.67562329836098 0.98846621209188 0.97523317028179 72.640 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.882641330000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.576824400000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.258967500000001 Atomic positions (fractional): 1 N 0.50000000000000 0.37877143655340 0.02302828737443 14.007 > 1 2 N 0.50000000000000 0.87877143655340 0.02302828737443 14.007 > 1 3 N 0.50000000000000 0.37877143655340 0.52302828737443 14.007 > 1 4 N 0.50000000000000 0.87877143655340 0.52302828737443 14.007 > 1 5 N 0.50000000000000 0.12122856344660 0.27302828737443 14.007 > 5 6 N 0.50000000000000 0.62122856344660 0.27302828737443 14.007 > 5 7 N 0.50000000000000 0.12122856344660 0.77302828737443 14.007 > 5 8 N 0.50000000000000 0.62122856344660 0.77302828737443 14.007 > 5 9 N 0.79115562321917 0.06624709173788 0.30981239204230 14.007 > 9 10 N 0.79115562321917 0.56624709173788 0.30981239204230 14.007 > 9 11 N 0.79115562321917 0.06624709173788 0.80981239204230 14.007 > 9 12 N 0.79115562321917 0.56624709173788 0.80981239204230 14.007 > 9 13 N 0.20884437678083 0.06624709173788 0.30981239204230 14.007 > 13 14 N 0.20884437678083 0.56624709173788 0.30981239204230 14.007 > 13 15 N 0.20884437678083 0.06624709173788 0.80981239204230 14.007 > 13 16 N 0.20884437678083 0.56624709173788 0.80981239204230 14.007 > 13 17 N 0.79115562321917 0.43375290826212 0.05981239204230 14.007 > 17 18 N 0.79115562321917 0.93375290826212 0.05981239204230 14.007 > 17 19 N 0.79115562321917 0.43375290826212 0.55981239204230 14.007 > 17 20 N 0.79115562321917 0.93375290826212 0.55981239204230 14.007 > 17 21 N 0.20884437678083 0.43375290826212 0.05981239204230 14.007 > 21 22 N 0.20884437678083 0.93375290826212 0.05981239204230 14.007 > 21 23 N 0.20884437678083 0.43375290826212 0.55981239204230 14.007 > 21 24 N 0.20884437678083 0.93375290826212 0.55981239204230 14.007 > 21 25 N 0.00000000000000 0.12877143655340 0.02302828737443 14.007 > 1 26 N 0.00000000000000 0.62877143655340 0.02302828737443 14.007 > 1 27 N 0.00000000000000 0.12877143655340 0.52302828737443 14.007 > 1 28 N 0.00000000000000 0.62877143655340 0.52302828737443 14.007 > 1 29 N 0.00000000000000 0.37122856344660 0.27302828737443 14.007 > 5 30 N 0.00000000000000 0.87122856344660 0.27302828737443 14.007 > 5 31 N 0.00000000000000 0.37122856344660 0.77302828737443 14.007 > 5 32 N 0.00000000000000 0.87122856344660 0.77302828737443 14.007 > 5 33 N 0.29115562321917 0.31624709173788 0.30981239204230 14.007 > 9 34 N 0.29115562321917 0.81624709173788 0.30981239204230 14.007 > 9 35 N 0.29115562321917 0.31624709173788 0.80981239204230 14.007 > 9 36 N 0.29115562321917 0.81624709173788 0.80981239204230 14.007 > 9 37 N 0.70884437678083 0.31624709173788 0.30981239204230 14.007 > 13 38 N 0.70884437678083 0.81624709173788 0.30981239204230 14.007 > 13 39 N 0.70884437678083 0.31624709173788 0.80981239204230 14.007 > 13 40 N 0.70884437678083 0.81624709173788 0.80981239204230 14.007 > 13 41 N 0.29115562321917 0.18375290826212 0.05981239204230 14.007 > 17 42 N 0.29115562321917 0.68375290826212 0.05981239204230 14.007 > 17 43 N 0.29115562321917 0.18375290826212 0.55981239204230 14.007 > 17 44 N 0.29115562321917 0.68375290826212 0.55981239204230 14.007 > 17 45 N 0.70884437678083 0.18375290826212 0.05981239204230 14.007 > 21 46 N 0.70884437678083 0.68375290826212 0.05981239204230 14.007 > 21 47 N 0.70884437678083 0.18375290826212 0.55981239204230 14.007 > 21 48 N 0.70884437678083 0.68375290826212 0.55981239204230 14.007 > 21 49 Na 0.50000000000000 0.41913761431920 0.25311376325917 22.990 > 49 50 Na 0.50000000000000 0.91913761431920 0.25311376325917 22.990 > 49 51 Na 0.50000000000000 0.41913761431920 0.75311376325917 22.990 > 49 52 Na 0.50000000000000 0.91913761431920 0.75311376325917 22.990 > 49 53 Na 0.50000000000000 0.08086238568080 0.00311376325917 22.990 > 53 54 Na 0.50000000000000 0.58086238568080 0.00311376325917 22.990 > 53 55 Na 0.50000000000000 0.08086238568080 0.50311376325917 22.990 > 53 56 Na 0.50000000000000 0.58086238568080 0.50311376325917 22.990 > 53 57 Na 0.00000000000000 0.16913761431920 0.25311376325917 22.990 > 49 58 Na 0.00000000000000 0.66913761431920 0.25311376325917 22.990 > 49 59 Na 0.00000000000000 0.16913761431920 0.75311376325917 22.990 > 49 60 Na 0.00000000000000 0.66913761431920 0.75311376325917 22.990 > 49 61 Na 0.00000000000000 0.33086238568080 0.00311376325917 22.990 > 53 62 Na 0.00000000000000 0.83086238568080 0.00311376325917 22.990 > 53 63 Na 0.00000000000000 0.33086238568080 0.50311376325917 22.990 > 53 64 Na 0.00000000000000 0.83086238568080 0.50311376325917 22.990 > 53 65 Ge 0.16795524477357 0.07821072843272 0.48761658514090 72.640 > 65 66 Ge 0.16795524477357 0.57821072843272 0.48761658514090 72.640 > 65 67 Ge 0.16795524477357 0.07821072843272 0.98761658514090 72.640 > 65 68 Ge 0.16795524477357 0.57821072843272 0.98761658514090 72.640 > 65 69 Ge 0.83204475522643 0.42178927156728 0.23761658514090 72.640 > 69 70 Ge 0.83204475522643 0.92178927156728 0.23761658514090 72.640 > 69 71 Ge 0.83204475522643 0.42178927156728 0.73761658514090 72.640 > 69 72 Ge 0.83204475522643 0.92178927156728 0.73761658514090 72.640 > 69 73 Ge 0.16795524477357 0.42178927156728 0.23761658514090 72.640 > 73 74 Ge 0.16795524477357 0.92178927156728 0.23761658514090 72.640 > 73 75 Ge 0.16795524477357 0.42178927156728 0.73761658514090 72.640 > 73 76 Ge 0.16795524477357 0.92178927156728 0.73761658514090 72.640 > 73 77 Ge 0.83204475522643 0.07821072843272 0.48761658514090 72.640 > 77 78 Ge 0.83204475522643 0.57821072843272 0.48761658514090 72.640 > 77 79 Ge 0.83204475522643 0.07821072843272 0.98761658514090 72.640 > 77 80 Ge 0.83204475522643 0.57821072843272 0.98761658514090 72.640 > 77 81 Ge 0.66795524477357 0.32821072843272 0.48761658514090 72.640 > 65 82 Ge 0.66795524477357 0.82821072843272 0.48761658514090 72.640 > 65 83 Ge 0.66795524477357 0.32821072843272 0.98761658514090 72.640 > 65 84 Ge 0.66795524477357 0.82821072843272 0.98761658514090 72.640 > 65 85 Ge 0.33204475522643 0.17178927156728 0.23761658514090 72.640 > 69 86 Ge 0.33204475522643 0.67178927156728 0.23761658514090 72.640 > 69 87 Ge 0.33204475522643 0.17178927156728 0.73761658514090 72.640 > 69 88 Ge 0.33204475522643 0.67178927156728 0.73761658514090 72.640 > 69 89 Ge 0.66795524477357 0.17178927156728 0.23761658514090 72.640 > 73 90 Ge 0.66795524477357 0.67178927156728 0.23761658514090 72.640 > 73 91 Ge 0.66795524477357 0.17178927156728 0.73761658514090 72.640 > 73 92 Ge 0.66795524477357 0.67178927156728 0.73761658514090 72.640 > 73 93 Ge 0.33204475522643 0.32821072843272 0.48761658514090 72.640 > 77 94 Ge 0.33204475522643 0.82821072843272 0.48761658514090 72.640 > 77 95 Ge 0.33204475522643 0.32821072843272 0.98761658514090 72.640 > 77 96 Ge 0.33204475522643 0.82821072843272 0.98761658514090 72.640 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.2761023 0.0000000 0.0000000 0.0000000 4.8657676 0.0000000 0.0000000 0.0000000 4.9948758 -------------------------- Born effective charges -------------------------- 1 N -3.7360758 0.0000000 0.0000000 0.0000000 -1.7653617 -0.0023342 0.0000000 0.0164605 -1.7526829 2 N -3.7360758 0.0000000 0.0000000 0.0000000 -1.7653617 0.0023342 0.0000000 -0.0164605 -1.7526829 3 N -2.2346259 0.6390229 -0.4996500 0.6801641 -2.7523666 -0.0849634 -0.3188233 -0.1874676 -2.8722406 4 N -2.2346259 -0.6390229 0.4996500 -0.6801641 -2.7523666 -0.0849634 0.3188233 -0.1874676 -2.8722406 5 N -2.2346259 -0.6390229 -0.4996500 -0.6801641 -2.7523666 0.0849634 -0.3188233 0.1874676 -2.8722406 6 N -2.2346259 0.6390229 0.4996500 0.6801641 -2.7523666 0.0849634 0.3188233 0.1874676 -2.8722406 7 Na 1.0337469 0.0000000 0.0000000 0.0000000 1.0692833 -0.0322543 0.0000000 -0.0249929 1.0299772 8 Na 1.0337469 0.0000000 0.0000000 0.0000000 1.0692833 0.0322543 0.0000000 0.0249929 1.0299772 9 Ge 3.5857904 -0.3558312 -0.1943619 0.4437642 3.1004058 0.1140963 0.2230620 0.0062198 3.2335935 10 Ge 3.5857904 -0.3558312 0.1943619 0.4437642 3.1004058 -0.1140963 -0.2230620 -0.0062198 3.2335935 11 Ge 3.5857904 0.3558312 -0.1943619 -0.4437642 3.1004058 -0.1140963 0.2230620 -0.0062198 3.2335935 12 Ge 3.5857904 0.3558312 0.1943619 -0.4437642 3.1004058 0.1140963 -0.2230620 0.0062198 3.2335935 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 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: 0.00000004 (xyx) 0.00000004 (xyx) 0.00000004 (xxy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000002 (yz) 0.00000002 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:36:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:36:22]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmc2_1 (36) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.941320665000000 -2.894206100000000 0.000000000000000 b 4.941320665000000 2.894206100000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.129483750000000 Atomic positions (fractional): 1 N 0.74245712689320 0.25754287310680 0.04605657474886 14.007 2 N 0.25754287310680 0.74245712689320 0.54605657474886 14.007 3 N 0.65866143974340 0.92364980669493 0.61962478408460 14.007 4 N 0.07635019330507 0.34133856025660 0.61962478408460 14.007 5 N 0.92364980669493 0.65866143974341 0.11962478408460 14.007 6 N 0.34133856025659 0.07635019330507 0.11962478408460 14.007 7 Na 0.66172477136161 0.33827522863839 0.50622752651835 22.990 8 Na 0.33827522863839 0.66172477136161 0.00622752651835 22.990 9 Ge 0.01153378790812 0.32437670163902 0.97523317028179 72.640 10 Ge 0.98846621209188 0.67562329836098 0.47523317028179 72.640 11 Ge 0.32437670163902 0.01153378790812 0.47523317028179 72.640 12 Ge 0.67562329836098 0.98846621209188 0.97523317028179 72.640 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.882641330000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.576824400000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.258967500000001 Atomic positions (fractional): 1 N 0.50000000000000 0.37877143655340 0.02302828737443 14.007 > 1 2 N 0.50000000000000 0.87877143655340 0.02302828737443 14.007 > 1 3 N 0.50000000000000 0.37877143655340 0.52302828737443 14.007 > 1 4 N 0.50000000000000 0.87877143655340 0.52302828737443 14.007 > 1 5 N 0.50000000000000 0.12122856344660 0.27302828737443 14.007 > 5 6 N 0.50000000000000 0.62122856344660 0.27302828737443 14.007 > 5 7 N 0.50000000000000 0.12122856344660 0.77302828737443 14.007 > 5 8 N 0.50000000000000 0.62122856344660 0.77302828737443 14.007 > 5 9 N 0.79115562321917 0.06624709173788 0.30981239204230 14.007 > 9 10 N 0.79115562321917 0.56624709173788 0.30981239204230 14.007 > 9 11 N 0.79115562321917 0.06624709173788 0.80981239204230 14.007 > 9 12 N 0.79115562321917 0.56624709173788 0.80981239204230 14.007 > 9 13 N 0.20884437678083 0.06624709173788 0.30981239204230 14.007 > 13 14 N 0.20884437678083 0.56624709173788 0.30981239204230 14.007 > 13 15 N 0.20884437678083 0.06624709173788 0.80981239204230 14.007 > 13 16 N 0.20884437678083 0.56624709173788 0.80981239204230 14.007 > 13 17 N 0.79115562321917 0.43375290826212 0.05981239204230 14.007 > 17 18 N 0.79115562321917 0.93375290826212 0.05981239204230 14.007 > 17 19 N 0.79115562321917 0.43375290826212 0.55981239204230 14.007 > 17 20 N 0.79115562321917 0.93375290826212 0.55981239204230 14.007 > 17 21 N 0.20884437678083 0.43375290826212 0.05981239204230 14.007 > 21 22 N 0.20884437678083 0.93375290826212 0.05981239204230 14.007 > 21 23 N 0.20884437678083 0.43375290826212 0.55981239204230 14.007 > 21 24 N 0.20884437678083 0.93375290826212 0.55981239204230 14.007 > 21 25 N 0.00000000000000 0.12877143655340 0.02302828737443 14.007 > 1 26 N 0.00000000000000 0.62877143655340 0.02302828737443 14.007 > 1 27 N 0.00000000000000 0.12877143655340 0.52302828737443 14.007 > 1 28 N 0.00000000000000 0.62877143655340 0.52302828737443 14.007 > 1 29 N 0.00000000000000 0.37122856344660 0.27302828737443 14.007 > 5 30 N 0.00000000000000 0.87122856344660 0.27302828737443 14.007 > 5 31 N 0.00000000000000 0.37122856344660 0.77302828737443 14.007 > 5 32 N 0.00000000000000 0.87122856344660 0.77302828737443 14.007 > 5 33 N 0.29115562321917 0.31624709173788 0.30981239204230 14.007 > 9 34 N 0.29115562321917 0.81624709173788 0.30981239204230 14.007 > 9 35 N 0.29115562321917 0.31624709173788 0.80981239204230 14.007 > 9 36 N 0.29115562321917 0.81624709173788 0.80981239204230 14.007 > 9 37 N 0.70884437678083 0.31624709173788 0.30981239204230 14.007 > 13 38 N 0.70884437678083 0.81624709173788 0.30981239204230 14.007 > 13 39 N 0.70884437678083 0.31624709173788 0.80981239204230 14.007 > 13 40 N 0.70884437678083 0.81624709173788 0.80981239204230 14.007 > 13 41 N 0.29115562321917 0.18375290826212 0.05981239204230 14.007 > 17 42 N 0.29115562321917 0.68375290826212 0.05981239204230 14.007 > 17 43 N 0.29115562321917 0.18375290826212 0.55981239204230 14.007 > 17 44 N 0.29115562321917 0.68375290826212 0.55981239204230 14.007 > 17 45 N 0.70884437678083 0.18375290826212 0.05981239204230 14.007 > 21 46 N 0.70884437678083 0.68375290826212 0.05981239204230 14.007 > 21 47 N 0.70884437678083 0.18375290826212 0.55981239204230 14.007 > 21 48 N 0.70884437678083 0.68375290826212 0.55981239204230 14.007 > 21 49 Na 0.50000000000000 0.41913761431920 0.25311376325917 22.990 > 49 50 Na 0.50000000000000 0.91913761431920 0.25311376325917 22.990 > 49 51 Na 0.50000000000000 0.41913761431920 0.75311376325917 22.990 > 49 52 Na 0.50000000000000 0.91913761431920 0.75311376325917 22.990 > 49 53 Na 0.50000000000000 0.08086238568080 0.00311376325917 22.990 > 53 54 Na 0.50000000000000 0.58086238568080 0.00311376325917 22.990 > 53 55 Na 0.50000000000000 0.08086238568080 0.50311376325917 22.990 > 53 56 Na 0.50000000000000 0.58086238568080 0.50311376325917 22.990 > 53 57 Na 0.00000000000000 0.16913761431920 0.25311376325917 22.990 > 49 58 Na 0.00000000000000 0.66913761431920 0.25311376325917 22.990 > 49 59 Na 0.00000000000000 0.16913761431920 0.75311376325917 22.990 > 49 60 Na 0.00000000000000 0.66913761431920 0.75311376325917 22.990 > 49 61 Na 0.00000000000000 0.33086238568080 0.00311376325917 22.990 > 53 62 Na 0.00000000000000 0.83086238568080 0.00311376325917 22.990 > 53 63 Na 0.00000000000000 0.33086238568080 0.50311376325917 22.990 > 53 64 Na 0.00000000000000 0.83086238568080 0.50311376325917 22.990 > 53 65 Ge 0.16795524477357 0.07821072843272 0.48761658514090 72.640 > 65 66 Ge 0.16795524477357 0.57821072843272 0.48761658514090 72.640 > 65 67 Ge 0.16795524477357 0.07821072843272 0.98761658514090 72.640 > 65 68 Ge 0.16795524477357 0.57821072843272 0.98761658514090 72.640 > 65 69 Ge 0.83204475522643 0.42178927156728 0.23761658514090 72.640 > 69 70 Ge 0.83204475522643 0.92178927156728 0.23761658514090 72.640 > 69 71 Ge 0.83204475522643 0.42178927156728 0.73761658514090 72.640 > 69 72 Ge 0.83204475522643 0.92178927156728 0.73761658514090 72.640 > 69 73 Ge 0.16795524477357 0.42178927156728 0.23761658514090 72.640 > 73 74 Ge 0.16795524477357 0.92178927156728 0.23761658514090 72.640 > 73 75 Ge 0.16795524477357 0.42178927156728 0.73761658514090 72.640 > 73 76 Ge 0.16795524477357 0.92178927156728 0.73761658514090 72.640 > 73 77 Ge 0.83204475522643 0.07821072843272 0.48761658514090 72.640 > 77 78 Ge 0.83204475522643 0.57821072843272 0.48761658514090 72.640 > 77 79 Ge 0.83204475522643 0.07821072843272 0.98761658514090 72.640 > 77 80 Ge 0.83204475522643 0.57821072843272 0.98761658514090 72.640 > 77 81 Ge 0.66795524477357 0.32821072843272 0.48761658514090 72.640 > 65 82 Ge 0.66795524477357 0.82821072843272 0.48761658514090 72.640 > 65 83 Ge 0.66795524477357 0.32821072843272 0.98761658514090 72.640 > 65 84 Ge 0.66795524477357 0.82821072843272 0.98761658514090 72.640 > 65 85 Ge 0.33204475522643 0.17178927156728 0.23761658514090 72.640 > 69 86 Ge 0.33204475522643 0.67178927156728 0.23761658514090 72.640 > 69 87 Ge 0.33204475522643 0.17178927156728 0.73761658514090 72.640 > 69 88 Ge 0.33204475522643 0.67178927156728 0.73761658514090 72.640 > 69 89 Ge 0.66795524477357 0.17178927156728 0.23761658514090 72.640 > 73 90 Ge 0.66795524477357 0.67178927156728 0.23761658514090 72.640 > 73 91 Ge 0.66795524477357 0.17178927156728 0.73761658514090 72.640 > 73 92 Ge 0.66795524477357 0.67178927156728 0.73761658514090 72.640 > 73 93 Ge 0.33204475522643 0.32821072843272 0.48761658514090 72.640 > 77 94 Ge 0.33204475522643 0.82821072843272 0.48761658514090 72.640 > 77 95 Ge 0.33204475522643 0.32821072843272 0.98761658514090 72.640 > 77 96 Ge 0.33204475522643 0.82821072843272 0.98761658514090 72.640 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.2761023 0.0000000 0.0000000 0.0000000 4.8657676 0.0000000 0.0000000 0.0000000 4.9948758 -------------------------- Born effective charges -------------------------- 1 N -3.7360758 0.0000000 0.0000000 0.0000000 -1.7653617 -0.0023342 0.0000000 0.0164605 -1.7526829 2 N -3.7360758 0.0000000 0.0000000 0.0000000 -1.7653617 0.0023342 0.0000000 -0.0164605 -1.7526829 3 N -2.2346259 0.6390229 -0.4996500 0.6801641 -2.7523666 -0.0849634 -0.3188233 -0.1874676 -2.8722406 4 N -2.2346259 -0.6390229 0.4996500 -0.6801641 -2.7523666 -0.0849634 0.3188233 -0.1874676 -2.8722406 5 N -2.2346259 -0.6390229 -0.4996500 -0.6801641 -2.7523666 0.0849634 -0.3188233 0.1874676 -2.8722406 6 N -2.2346259 0.6390229 0.4996500 0.6801641 -2.7523666 0.0849634 0.3188233 0.1874676 -2.8722406 7 Na 1.0337469 0.0000000 0.0000000 0.0000000 1.0692833 -0.0322543 0.0000000 -0.0249929 1.0299772 8 Na 1.0337469 0.0000000 0.0000000 0.0000000 1.0692833 0.0322543 0.0000000 0.0249929 1.0299772 9 Ge 3.5857904 -0.3558312 -0.1943619 0.4437642 3.1004058 0.1140963 0.2230620 0.0062198 3.2335935 10 Ge 3.5857904 -0.3558312 0.1943619 0.4437642 3.1004058 -0.1140963 -0.2230620 -0.0062198 3.2335935 11 Ge 3.5857904 0.3558312 -0.1943619 -0.4437642 3.1004058 -0.1140963 0.2230620 -0.0062198 3.2335935 12 Ge 3.5857904 0.3558312 0.1943619 -0.4437642 3.1004058 0.1140963 -0.2230620 0.0062198 3.2335935 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000004 (xyx) 0.00000004 (xyx) 0.00000004 (xxy) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 10 10 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.79, Number of G-points: 279, Lambda: 0.18 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/186) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 186 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 4.448 ( 0.000 0.000 -0.000) 0.000 4.706 ( 0.000 0.000 0.000) 0.000 5.535 ( 0.000 0.000 0.000) 0.000 6.097 ( 0.000 0.000 0.000) 0.000 6.173 ( 0.000 0.000 0.000) 0.000 6.338 ( 0.000 0.000 0.000) 0.000 6.667 ( 0.000 0.000 0.000) 0.000 7.073 ( 0.000 0.000 0.000) 0.000 7.086 ( 0.000 0.000 -0.000) 0.000 7.093 ( 0.000 0.000 0.000) 0.000 7.568 ( 0.000 0.000 0.000) 0.000 7.851 ( 0.000 0.000 0.000) 0.000 8.617 ( 0.000 0.000 -0.000) 0.000 8.918 ( 0.000 0.000 -0.000) 0.000 9.195 ( 0.000 0.000 0.000) 0.000 9.868 ( 0.000 0.000 -0.000) 0.000 9.900 ( 0.000 0.000 0.000) 0.000 10.330 ( 0.000 0.000 0.000) 0.000 10.979 ( 0.000 0.000 0.000) 0.000 11.137 ( 0.000 0.000 0.000) 0.000 11.579 ( 0.000 0.000 0.000) 0.000 14.936 ( 0.000 0.000 -0.000) 0.000 15.264 ( 0.000 0.000 -0.000) 0.000 19.407 ( 0.000 0.000 0.000) 0.000 20.416 ( 0.000 0.000 -0.000) 0.000 20.677 ( 0.000 0.000 -0.000) 0.000 21.227 ( 0.000 0.000 0.000) 0.000 21.783 ( 0.000 0.000 -0.000) 0.000 22.929 ( 0.000 0.000 0.000) 0.000 23.054 ( 0.000 0.000 0.000) 0.000 23.104 ( 0.000 0.000 0.000) 0.000 26.822 ( 0.000 0.000 0.000) 0.000 26.842 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/186) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( 23.519 -34.711 0.000) 41.929 0.846 ( 27.717 -31.829 0.000) 42.206 1.443 ( 32.952 -62.579 0.000) 70.725 4.563 ( -1.756 -10.602 0.000) 10.747 4.786 ( 10.347 -5.360 0.000) 11.652 5.483 ( -2.120 4.369 0.000) 4.856 5.880 ( -11.044 19.952 0.000) 22.805 6.078 ( -6.345 9.378 0.000) 11.323 6.224 ( -3.925 0.613 0.000) 3.973 6.604 ( -1.142 8.094 0.000) 8.174 6.860 ( -0.407 12.720 0.000) 12.727 7.105 ( -0.379 6.400 0.000) 6.412 7.267 ( 0.565 -8.687 0.000) 8.705 7.653 ( 12.340 -3.263 0.000) 12.764 7.933 ( -1.863 -10.132 0.000) 10.302 8.628 ( 0.892 -0.086 0.000) 0.896 9.219 ( -2.625 -3.946 0.000) 4.740 9.298 ( -21.050 -12.043 0.000) 24.251 9.815 ( -3.079 4.535 0.000) 5.481 9.950 ( -3.160 -2.184 0.000) 3.841 10.358 ( -4.652 -4.998 0.000) 6.828 10.894 ( 4.737 11.103 0.000) 12.071 11.431 ( 16.635 4.047 0.000) 17.120 11.963 ( 27.031 12.620 0.000) 29.832 15.259 ( -1.602 -0.441 0.000) 1.662 15.473 ( -20.566 -13.698 0.000) 24.710 19.447 ( -0.893 -5.017 0.000) 5.096 20.442 ( 11.809 9.310 0.000) 15.037 21.252 ( -3.361 -4.934 0.000) 5.970 21.831 ( -1.144 -5.970 0.000) 6.078 22.651 ( -51.206 -31.229 0.000) 59.977 22.923 ( 2.812 2.384 0.000) 3.687 23.087 ( 0.758 1.889 0.000) 2.036 24.210 ( -24.529 -9.420 0.000) 26.275 26.857 ( 1.233 -1.022 0.000) 1.602 27.567 ( 88.208 49.671 0.000) 101.231 ======================= Grid point 2 (3/186) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.625 ( 31.258 -24.823 0.000) 39.915 1.674 ( 16.727 -37.990 0.000) 41.509 2.811 ( 29.413 -58.064 0.000) 65.089 4.642 ( -5.169 -0.837 0.000) 5.236 5.037 ( 10.392 2.459 0.000) 10.679 5.353 ( -2.710 6.426 0.000) 6.974 5.500 ( -2.536 0.345 0.000) 2.559 5.785 ( -13.816 10.717 0.000) 17.486 6.088 ( -13.706 8.091 0.000) 15.916 6.495 ( 2.802 3.566 0.000) 4.536 6.668 ( 0.645 9.095 0.000) 9.117 6.867 ( 0.279 18.237 0.000) 18.239 7.373 ( -2.055 -4.545 0.000) 4.987 7.829 ( 11.981 0.288 0.000) 11.984 8.158 ( -0.389 -16.405 0.000) 16.409 8.606 ( -1.801 2.850 0.000) 3.372 9.231 ( -10.006 -4.388 0.000) 10.926 9.348 ( -1.799 -7.669 0.000) 7.877 9.670 ( -5.148 6.391 0.000) 8.207 9.955 ( 0.839 0.412 0.000) 0.935 10.367 ( -8.536 -2.846 0.000) 8.998 10.732 ( 5.115 12.772 0.000) 13.759 11.549 ( 2.764 -6.444 0.000) 7.012 12.031 ( 18.587 6.760 0.000) 19.779 15.251 ( -1.865 -0.779 0.000) 2.021 15.511 ( -7.956 -7.248 0.000) 10.763 19.555 ( -1.909 -8.865 0.000) 9.068 20.383 ( 10.183 10.310 0.000) 14.491 21.331 ( -3.419 -8.295 0.000) 8.972 21.948 ( -4.116 -9.888 0.000) 10.711 22.679 ( -21.226 -14.332 0.000) 25.612 22.902 ( 4.241 4.159 0.000) 5.940 23.059 ( 3.162 3.201 0.000) 4.499 24.089 ( -16.642 -0.923 0.000) 16.667 26.900 ( 1.853 -2.001 0.000) 2.727 27.610 ( 41.240 21.457 0.000) 46.488 ======================= Grid point 3 (4/186) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.309 ( 26.488 -20.211 0.000) 33.319 2.486 ( 15.801 -36.648 0.000) 39.909 3.903 ( 11.721 -27.427 0.000) 29.827 4.499 ( 3.559 -1.632 0.000) 3.915 4.938 ( -5.163 1.864 0.000) 5.489 5.167 ( -5.129 12.837 0.000) 13.824 5.471 ( -5.325 11.570 0.000) 12.736 5.780 ( -3.649 1.048 0.000) 3.796 5.897 ( 2.913 -18.813 0.000) 19.037 6.388 ( -6.017 7.299 0.000) 9.459 6.541 ( 2.959 16.270 0.000) 16.537 6.651 ( 6.992 1.313 0.000) 7.114 7.381 ( -5.273 -0.369 0.000) 5.286 7.839 ( 3.151 8.714 0.000) 9.266 8.428 ( 0.934 -9.819 0.000) 9.863 8.510 ( -1.410 1.574 0.000) 2.113 9.199 ( -6.341 -2.286 0.000) 6.740 9.480 ( -1.371 -6.197 0.000) 6.346 9.531 ( -4.722 1.128 0.000) 4.855 9.951 ( 2.211 1.603 0.000) 2.731 10.276 ( -10.004 2.014 0.000) 10.205 10.565 ( 4.750 12.310 0.000) 13.195 11.707 ( -1.635 -10.767 0.000) 10.890 12.087 ( 14.264 6.415 0.000) 15.640 15.250 ( -1.290 -0.897 0.000) 1.571 15.557 ( -3.579 -4.694 0.000) 5.902 19.702 ( -3.040 -10.714 0.000) 11.137 20.297 ( 8.908 10.653 0.000) 13.887 21.469 ( -0.062 -9.636 0.000) 9.637 22.050 ( -9.096 -8.385 0.000) 12.371 22.715 ( -10.348 -8.224 0.000) 13.218 22.867 ( 2.400 3.485 0.000) 4.232 23.062 ( 10.664 4.017 0.000) 11.395 23.913 ( -15.408 2.282 0.000) 15.576 26.959 ( 1.684 -2.597 0.000) 3.095 27.651 ( 22.993 11.527 0.000) 25.721 ======================= Grid point 4 (5/186) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.854 ( 19.104 -16.290 0.000) 25.106 3.239 ( 12.869 -31.742 0.000) 34.251 3.765 ( -4.457 18.482 0.000) 19.012 4.746 ( -11.237 22.607 0.000) 25.245 4.786 ( -17.585 -5.063 0.000) 18.299 5.079 ( 9.230 -12.330 0.000) 15.402 5.421 ( 10.546 -8.622 0.000) 13.622 5.841 ( 11.873 -9.396 0.000) 15.142 6.044 ( -8.774 6.781 0.000) 11.089 6.247 ( 1.630 5.573 0.000) 5.806 6.537 ( 8.671 -11.595 0.000) 14.478 6.719 ( 3.021 -1.772 0.000) 3.502 7.265 ( -9.393 5.760 0.000) 11.018 7.573 ( -6.434 17.468 0.000) 18.616 8.397 ( -0.042 2.221 0.000) 2.221 8.670 ( 3.626 -6.802 0.000) 7.708 9.205 ( -0.696 -2.796 0.000) 2.882 9.419 ( -5.618 1.471 0.000) 5.808 9.609 ( -2.443 -5.282 0.000) 5.820 9.969 ( 5.310 0.062 0.000) 5.310 10.133 ( -9.577 1.546 0.000) 9.701 10.405 ( 3.418 10.709 0.000) 11.241 11.870 ( -4.287 -10.958 0.000) 11.767 12.091 ( 10.284 7.441 0.000) 12.693 15.254 ( -0.588 -0.618 0.000) 0.853 15.595 ( -1.393 -2.449 0.000) 2.817 19.849 ( -3.662 -9.653 0.000) 10.324 20.202 ( 6.646 9.165 0.000) 11.321 21.657 ( 4.815 -9.064 0.000) 10.263 22.025 ( -11.487 -0.675 0.000) 11.507 22.748 ( -5.011 -4.453 0.000) 6.704 22.840 ( 0.242 1.134 0.000) 1.159 23.146 ( 15.327 1.871 0.000) 15.441 23.712 ( -14.155 3.032 0.000) 14.476 27.015 ( 0.944 -2.023 0.000) 2.232 27.674 ( 10.767 5.570 0.000) 12.122 ======================= Grid point 5 (6/186) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.219 ( 0.000 -0.000 0.000) 0.000 3.374 ( 0.000 -0.000 0.000) 0.000 3.805 ( 0.000 -0.000 0.000) 0.000 4.325 ( 0.000 -0.000 0.000) 0.000 4.728 ( 0.000 -0.000 0.000) 0.000 5.162 ( 0.000 -0.000 0.000) 0.000 5.677 ( -0.000 0.000 0.000) 0.000 5.833 ( 0.000 -0.000 0.000) 0.000 6.076 ( 0.000 -0.000 0.000) 0.000 6.310 ( -0.000 -0.000 0.000) 0.000 6.674 ( 0.000 -0.000 0.000) 0.000 6.771 ( 0.000 -0.000 0.000) 0.000 7.092 ( 0.000 -0.000 0.000) 0.000 7.332 ( 0.000 -0.000 0.000) 0.000 8.382 ( 0.000 -0.000 0.000) 0.000 8.748 ( 0.000 -0.000 0.000) 0.000 9.251 ( 0.000 -0.000 0.000) 0.000 9.359 ( -0.000 -0.000 0.000) 0.000 9.635 ( 0.000 -0.000 0.000) 0.000 10.011 ( -0.000 -0.000 0.000) 0.000 10.075 ( 0.000 -0.000 0.000) 0.000 10.309 ( 0.000 0.000 0.000) 0.000 11.963 ( -0.000 -0.000 0.000) 0.000 12.060 ( 0.000 -0.000 0.000) 0.000 15.257 ( 0.000 -0.000 0.000) 0.000 15.610 ( -0.000 -0.000 0.000) 0.000 19.927 ( 0.000 -0.000 0.000) 0.000 20.143 ( 0.000 -0.000 0.000) 0.000 21.855 ( -0.000 0.000 0.000) 0.000 21.875 ( 0.000 -0.000 0.000) 0.000 22.762 ( 0.000 -0.000 0.000) 0.000 22.832 ( 0.000 -0.000 0.000) 0.000 23.238 ( 0.000 -0.000 0.000) 0.000 23.585 ( 0.000 -0.000 0.000) 0.000 27.039 ( 0.000 -0.000 0.000) 0.000 27.680 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 12 (7/186) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.743 ( 35.598 -0.000 0.000) 35.598 0.747 ( 36.651 -0.000 0.000) 36.651 1.617 ( 78.741 -0.000 0.000) 78.741 4.520 ( 6.878 -0.000 0.000) 6.878 4.835 ( 11.708 -0.000 0.000) 11.708 5.483 ( -5.119 0.000 0.000) 5.119 5.816 ( -23.911 0.000 0.000) 23.911 6.096 ( -6.217 0.000 0.000) 6.217 6.277 ( -6.780 0.000 0.000) 6.780 6.601 ( -12.846 0.000 0.000) 12.846 7.060 ( 0.124 -0.000 0.000) 0.124 7.089 ( -2.536 0.000 0.000) 2.536 7.149 ( 0.917 -0.000 0.000) 0.917 7.820 ( 20.331 -0.000 0.000) 20.331 7.857 ( 0.912 -0.000 0.000) 0.912 8.624 ( 0.620 -0.000 0.000) 0.620 8.883 ( -3.312 0.000 0.000) 3.312 9.184 ( -1.010 0.000 0.000) 1.010 9.849 ( -2.705 0.000 0.000) 2.705 9.889 ( -1.127 0.000 0.000) 1.127 10.279 ( -4.944 0.000 0.000) 4.944 11.008 ( 2.353 -0.000 0.000) 2.353 11.567 ( -0.851 0.000 0.000) 0.851 12.566 ( -0.457 0.000 0.000) 0.457 14.912 ( -2.271 0.000 0.000) 2.271 15.318 ( 5.137 -0.000 0.000) 5.137 19.397 ( -0.896 0.000 0.000) 0.896 20.652 ( -2.224 0.000 0.000) 2.224 21.263 ( 3.303 -0.000 0.000) 3.303 21.670 ( -0.035 0.000 0.000) 0.035 21.773 ( -0.972 0.000 0.000) 0.972 22.977 ( 3.005 -0.000 0.000) 3.005 23.114 ( 2.585 -0.000 0.000) 2.585 24.075 ( 0.607 -0.000 0.000) 0.607 26.826 ( -1.598 0.000 0.000) 1.598 28.894 ( -0.332 0.000 0.000) 0.332 ======================= Grid point 13 (8/186) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( 29.669 -24.511 0.000) 38.484 1.448 ( 27.255 -31.517 0.000) 41.667 2.581 ( 66.968 -21.651 0.000) 70.380 4.593 ( 4.880 -0.412 0.000) 4.898 5.053 ( 9.459 -8.536 0.000) 12.741 5.394 ( -6.800 3.138 0.000) 7.489 5.549 ( -14.879 3.557 0.000) 15.298 5.842 ( -13.931 16.800 0.000) 21.824 6.091 ( -8.284 6.986 0.000) 10.836 6.510 ( -9.385 -1.230 0.000) 9.466 6.858 ( 1.511 10.869 0.000) 10.974 7.062 ( -4.769 6.910 0.000) 8.396 7.267 ( -1.022 -7.137 0.000) 7.210 7.916 ( 0.979 -7.988 0.000) 8.047 8.022 ( 21.005 1.673 0.000) 21.072 8.637 ( -0.268 1.422 0.000) 1.447 8.964 ( -10.165 -11.275 0.000) 15.180 9.217 ( -1.024 -5.075 0.000) 5.178 9.724 ( -5.763 6.483 0.000) 8.674 9.926 ( -1.062 -2.656 0.000) 2.860 10.249 ( -6.803 -2.893 0.000) 7.392 10.976 ( 3.717 7.094 0.000) 8.009 11.515 ( -0.584 2.548 0.000) 2.614 12.400 ( 11.362 13.006 0.000) 17.269 15.048 ( -10.585 -12.863 0.000) 16.658 15.401 ( 5.757 -2.547 0.000) 6.296 19.422 ( -1.482 -4.277 0.000) 4.526 20.633 ( 5.015 3.286 0.000) 5.996 21.183 ( -1.579 1.385 0.000) 2.100 21.788 ( -2.860 -4.778 0.000) 5.569 22.048 ( -12.012 -28.356 0.000) 30.796 22.975 ( -0.200 1.749 0.000) 1.760 23.157 ( 8.648 1.373 0.000) 8.756 24.046 ( -1.270 3.808 0.000) 4.014 26.832 ( -2.539 -2.877 0.000) 3.837 28.526 ( 19.090 33.745 0.000) 38.770 ======================= Grid point 14 (9/186) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.098 ( 24.063 -30.445 0.000) 38.806 2.228 ( 26.703 -25.731 0.000) 37.083 3.587 ( 40.219 -26.977 0.000) 48.428 4.578 ( -2.320 6.570 0.000) 6.968 5.030 ( -3.479 7.863 0.000) 8.598 5.239 ( -11.709 3.206 0.000) 12.140 5.444 ( -10.544 4.524 0.000) 11.473 5.718 ( 7.201 -7.605 0.000) 10.474 5.838 ( -0.790 6.074 0.000) 6.126 6.413 ( -9.155 2.500 0.000) 9.490 6.758 ( 5.152 6.366 0.000) 8.190 6.821 ( -4.794 11.837 0.000) 12.771 7.322 ( -2.385 -1.863 0.000) 3.026 8.034 ( 4.967 2.882 0.000) 5.743 8.232 ( 8.938 -9.112 0.000) 12.764 8.557 ( -2.077 4.999 0.000) 5.413 9.033 ( -8.358 -8.251 0.000) 11.744 9.327 ( -1.290 -8.372 0.000) 8.471 9.548 ( -6.754 5.820 0.000) 8.916 9.936 ( -3.044 -0.953 0.000) 3.190 10.218 ( -6.636 -0.803 0.000) 6.685 10.853 ( 6.217 12.461 0.000) 13.926 11.515 ( -4.188 -5.362 0.000) 6.804 12.354 ( 11.355 7.431 0.000) 13.570 15.121 ( -8.524 -7.772 0.000) 11.535 15.503 ( 5.507 -2.398 0.000) 6.006 19.510 ( -2.398 -7.936 0.000) 8.290 20.591 ( 9.495 10.521 0.000) 14.172 21.239 ( -5.301 -11.592 0.000) 12.746 21.845 ( -5.566 -6.157 0.000) 8.300 22.333 ( -11.359 -19.282 0.000) 22.379 22.925 ( -1.598 2.610 0.000) 3.061 23.240 ( 13.449 2.130 0.000) 13.617 23.923 ( -2.585 7.754 0.000) 8.174 26.866 ( -3.756 -4.534 0.000) 5.888 28.229 ( 19.625 24.412 0.000) 31.323 ======================= Grid point 15 (10/186) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.843 ( 25.184 -15.824 0.000) 29.743 2.860 ( 20.468 -29.394 0.000) 35.819 4.045 ( 2.876 6.594 0.000) 7.194 4.331 ( -21.170 -2.830 0.000) 21.358 5.026 ( -4.603 3.618 0.000) 5.855 5.058 ( 2.014 12.405 0.000) 12.568 5.393 ( 10.826 -8.159 0.000) 13.556 5.649 ( -5.979 -11.169 0.000) 12.668 6.153 ( 13.192 -0.071 0.000) 13.192 6.274 ( -2.965 -0.457 0.000) 3.000 6.572 ( 0.376 4.365 0.000) 4.381 6.786 ( 6.255 2.287 0.000) 6.660 7.280 ( -3.683 3.699 0.000) 5.220 7.856 ( -0.863 19.410 0.000) 19.430 8.388 ( -4.192 -3.119 0.000) 5.225 8.554 ( 3.054 -6.193 0.000) 6.905 9.108 ( -2.131 -7.183 0.000) 7.492 9.406 ( -5.210 3.339 0.000) 6.188 9.458 ( -2.370 -8.503 0.000) 8.827 9.918 ( -5.105 -2.675 0.000) 5.764 10.136 ( -4.482 3.342 0.000) 5.591 10.686 ( 6.929 14.291 0.000) 15.882 11.600 ( -7.681 -10.725 0.000) 13.191 12.336 ( 9.211 7.339 0.000) 11.778 15.161 ( -6.169 -5.610 0.000) 8.339 15.591 ( 5.757 -1.044 0.000) 5.851 19.637 ( -3.241 -9.783 0.000) 10.306 20.476 ( 8.360 12.718 0.000) 15.220 21.449 ( -2.115 -16.274 0.000) 16.411 21.866 ( -8.705 -4.092 0.000) 9.619 22.511 ( -8.254 -13.320 0.000) 15.670 22.867 ( -1.148 2.031 0.000) 2.333 23.342 ( 13.608 3.194 0.000) 13.978 23.751 ( -0.603 8.797 0.000) 8.818 26.905 ( -5.560 -5.261 0.000) 7.655 28.040 ( 14.171 18.120 0.000) 23.003 ======================= Grid point 16 (11/186) ======================= q-point: ( 0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.225 ( 16.328 -5.263 0.000) 17.155 3.470 ( 7.613 -6.607 0.000) 10.080 3.745 ( 3.457 4.549 0.000) 5.713 4.403 ( -15.769 -22.196 0.000) 27.227 4.540 ( -9.460 25.141 0.000) 26.862 5.060 ( -9.173 -5.486 0.000) 10.688 5.610 ( 0.393 -6.254 0.000) 6.267 5.859 ( 1.075 1.496 0.000) 1.842 6.133 ( 0.205 1.219 0.000) 1.236 6.357 ( 17.822 -4.390 0.000) 18.355 6.722 ( 6.349 -0.098 0.000) 6.350 6.819 ( 9.697 -1.465 0.000) 9.807 7.123 ( -2.444 6.071 0.000) 6.544 7.471 ( -3.459 17.723 0.000) 18.057 8.362 ( -4.257 -0.019 0.000) 4.257 8.667 ( -4.916 -6.045 0.000) 7.792 9.230 ( 2.742 -4.294 0.000) 5.095 9.336 ( -1.519 -0.755 0.000) 1.696 9.571 ( -0.666 -6.590 0.000) 6.623 9.923 ( -8.543 -3.513 0.000) 9.237 10.059 ( 0.491 0.279 0.000) 0.564 10.508 ( 6.654 13.774 0.000) 15.297 11.705 ( -10.538 -11.471 0.000) 15.577 12.277 ( 6.959 8.987 0.000) 11.366 15.192 ( -4.458 -4.152 0.000) 6.092 15.652 ( 5.806 0.743 0.000) 5.853 19.773 ( -3.640 -9.714 0.000) 10.374 20.331 ( 5.872 12.270 0.000) 13.603 21.725 ( -0.670 -14.199 0.000) 14.215 21.817 ( -6.519 -1.948 0.000) 6.804 22.638 ( -5.084 -9.501 0.000) 10.776 22.838 ( -0.241 0.514 0.000) 0.568 23.304 ( -1.858 9.584 0.000) 9.762 23.712 ( 14.910 2.620 0.000) 15.138 26.927 ( -8.137 -5.079 0.000) 9.592 27.873 ( 7.808 14.293 0.000) 16.287 ======================= Grid point 17 (12/186) ======================= q-point: (-0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.051 ( -10.218 22.904 0.000) 25.080 3.540 ( 10.012 -8.462 0.000) 13.109 3.699 ( -7.563 25.850 0.000) 26.934 4.454 ( 9.415 -21.260 0.000) 23.251 4.701 ( -0.450 -19.615 0.000) 19.621 5.063 ( -8.627 -5.425 0.000) 10.190 5.550 ( -10.547 7.311 0.000) 12.833 5.832 ( -6.505 1.754 0.000) 6.737 6.131 ( 4.612 3.892 0.000) 6.035 6.193 ( -0.245 15.721 0.000) 15.723 6.696 ( 0.780 6.878 0.000) 6.922 6.902 ( 7.287 15.679 0.000) 17.290 7.253 ( 11.818 -8.596 0.000) 14.613 7.376 ( 6.386 -12.307 0.000) 13.865 8.328 ( -5.210 -2.747 0.000) 5.890 8.663 ( -7.582 -1.343 0.000) 7.700 9.246 ( 1.594 1.469 0.000) 2.168 9.433 ( 4.877 -4.133 0.000) 6.393 9.666 ( 2.552 -2.152 0.000) 3.338 9.855 ( -9.894 -1.707 0.000) 10.040 10.151 ( 2.024 -7.124 0.000) 7.406 10.378 ( 7.000 7.766 0.000) 10.456 11.764 ( -13.326 -8.771 0.000) 15.954 12.168 ( 4.929 10.351 0.000) 11.465 15.214 ( -3.076 -2.848 0.000) 4.192 15.682 ( 5.566 2.497 0.000) 6.100 19.892 ( -2.754 -7.400 0.000) 7.896 20.174 ( 2.327 10.444 0.000) 10.700 21.684 ( -7.907 2.346 0.000) 8.248 22.040 ( 7.384 -11.547 0.000) 13.706 22.741 ( -1.910 -6.454 0.000) 6.730 22.840 ( 0.613 -0.123 0.000) 0.625 23.055 ( -10.001 9.821 0.000) 14.017 23.886 ( 20.694 -0.115 0.000) 20.694 26.910 ( -11.302 -4.151 0.000) 12.041 27.700 ( 1.522 11.211 0.000) 11.314 ======================= Grid point 18 (13/186) ======================= q-point: (-0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.502 ( -14.151 26.209 0.000) 29.785 3.012 ( -8.539 37.664 0.000) 38.620 3.889 ( 6.603 -17.809 0.000) 18.993 4.786 ( -9.588 23.512 0.000) 25.392 4.936 ( 3.037 -13.911 0.000) 14.239 5.086 ( 5.144 8.504 0.000) 9.938 5.209 ( -5.506 -14.914 0.000) 15.897 5.712 ( -1.887 -4.872 0.000) 5.225 6.111 ( -1.293 -5.557 0.000) 5.706 6.327 ( 7.323 -8.002 0.000) 10.847 6.422 ( -2.927 19.985 0.000) 20.198 6.668 ( -1.673 9.282 0.000) 9.431 7.422 ( 5.530 -2.558 0.000) 6.093 7.698 ( 4.578 -8.702 0.000) 9.833 8.396 ( 0.440 -8.167 0.000) 8.179 8.572 ( -4.992 4.253 0.000) 6.558 9.265 ( 5.019 -0.129 0.000) 5.021 9.518 ( 3.420 -1.328 0.000) 3.669 9.644 ( 0.507 6.811 0.000) 6.830 9.827 ( -7.284 -5.648 0.000) 9.217 10.317 ( 3.194 -8.825 0.000) 9.385 10.404 ( 7.582 -1.078 0.000) 7.659 11.722 ( -14.896 -2.690 0.000) 15.137 12.035 ( 2.219 8.817 0.000) 9.092 15.229 ( -1.828 -1.819 0.000) 2.579 15.682 ( 5.223 3.608 0.000) 6.349 19.917 ( 3.115 7.761 0.000) 8.363 20.074 ( -5.608 -4.143 0.000) 6.972 21.566 ( -3.642 4.249 0.000) 5.596 22.258 ( 11.445 -0.484 0.000) 11.455 22.752 ( -10.160 3.279 0.000) 10.676 22.831 ( 1.674 -2.723 0.000) 3.196 22.913 ( -3.544 -3.651 0.000) 5.088 24.106 ( 21.275 -0.442 0.000) 21.280 26.843 ( -14.665 -3.433 0.000) 15.061 27.515 ( -4.016 8.927 0.000) 9.789 ======================= Grid point 19 (14/186) ======================= q-point: (-0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.863 ( -13.965 30.738 0.000) 33.762 2.256 ( -6.176 40.791 0.000) 41.256 3.673 ( -7.316 56.142 0.000) 56.617 4.497 ( 2.461 -21.113 0.000) 21.255 4.918 ( -5.679 3.270 0.000) 6.554 5.240 ( 2.021 -8.836 0.000) 9.064 5.586 ( 6.981 -16.647 0.000) 18.052 5.820 ( -1.293 22.916 0.000) 22.953 5.968 ( 5.350 -17.279 0.000) 18.088 6.450 ( -0.615 -8.109 0.000) 8.132 6.517 ( -3.504 -6.060 0.000) 7.000 6.541 ( 1.612 -7.459 0.000) 7.631 7.461 ( 2.250 2.452 0.000) 3.328 7.756 ( -3.435 0.099 0.000) 3.436 8.402 ( -0.741 10.881 0.000) 10.907 8.559 ( 1.733 -5.674 0.000) 5.933 9.336 ( 5.484 -0.575 0.000) 5.514 9.486 ( -0.201 8.137 0.000) 8.139 9.607 ( 2.093 -5.070 0.000) 5.485 9.871 ( -3.780 -5.291 0.000) 6.503 10.499 ( -0.876 -10.343 0.000) 10.380 10.511 ( 9.644 0.436 0.000) 9.654 11.570 ( -11.880 3.453 0.000) 12.372 11.915 ( -1.693 5.411 0.000) 5.670 15.242 ( -0.756 -1.155 0.000) 1.380 15.669 ( 4.478 3.516 0.000) 5.694 19.754 ( 1.704 11.667 0.000) 11.790 20.147 ( -4.749 -8.364 0.000) 9.618 21.464 ( -0.280 5.383 0.000) 5.390 22.208 ( 5.387 14.321 0.000) 15.301 22.715 ( -6.152 -8.500 0.000) 10.492 22.906 ( 5.217 -1.876 0.000) 5.544 22.968 ( -1.593 -4.518 0.000) 4.791 24.322 ( 18.982 -0.621 0.000) 18.993 26.739 ( -16.798 -3.424 0.000) 17.144 27.309 ( -6.657 8.518 0.000) 10.811 ======================= Grid point 20 (15/186) ======================= q-point: (-0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( -0.000 34.343 0.000) 34.343 1.496 ( -0.000 42.834 0.000) 42.834 2.512 ( -0.000 69.042 0.000) 69.042 4.790 ( -0.000 1.846 0.000) 1.846 4.795 ( -0.000 4.833 0.000) 4.833 5.384 ( 0.000 -7.718 0.000) 7.718 5.574 ( 0.000 -7.977 0.000) 7.977 5.921 ( 0.000 -13.773 0.000) 13.773 6.327 ( -0.000 7.092 0.000) 7.092 6.362 ( 0.000 -19.446 0.000) 19.446 6.691 ( 0.000 -7.982 0.000) 7.982 6.849 ( 0.000 -20.690 0.000) 20.690 7.393 ( -0.000 6.167 0.000) 6.167 7.688 ( -0.000 4.686 0.000) 4.686 8.171 ( -0.000 14.714 0.000) 14.714 8.622 ( 0.000 -1.053 0.000) 1.053 9.311 ( -0.000 5.929 0.000) 5.929 9.429 ( 0.000 -0.858 0.000) 0.858 9.735 ( 0.000 -6.801 0.000) 6.801 9.933 ( 0.000 -4.065 0.000) 4.065 10.518 ( -0.000 5.762 0.000) 5.762 10.666 ( 0.000 -10.285 0.000) 10.285 11.406 ( -0.000 7.173 0.000) 7.173 11.830 ( -0.000 2.156 0.000) 2.156 15.254 ( 0.000 -0.674 0.000) 0.674 15.648 ( -0.000 2.212 0.000) 2.212 19.578 ( -0.000 9.251 0.000) 9.251 20.256 ( 0.000 -7.434 0.000) 7.434 21.367 ( -0.000 5.991 0.000) 5.991 21.993 ( -0.000 11.808 0.000) 11.808 22.825 ( 0.000 -6.341 0.000) 6.341 23.005 ( 0.000 -2.640 0.000) 2.640 23.009 ( 0.000 -3.142 0.000) 3.142 24.470 ( 0.000 -1.812 0.000) 1.812 26.669 ( 0.000 -2.691 0.000) 2.691 27.107 ( -0.000 9.233 0.000) 9.233 ======================= Grid point 23 (16/186) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 186 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( 29.542 -0.000 0.000) 29.542 1.466 ( 34.094 -0.000 0.000) 34.094 3.167 ( 73.750 -0.000 0.000) 73.750 4.700 ( 9.455 -0.000 0.000) 9.455 4.981 ( -10.694 0.000 0.000) 10.694 5.341 ( -7.709 0.000 0.000) 7.709 5.427 ( -0.591 0.000 0.000) 0.591 5.912 ( -11.838 0.000 0.000) 11.838 6.109 ( -7.874 0.000 0.000) 7.874 6.307 ( -15.261 0.000 0.000) 15.261 7.000 ( -6.179 0.000 0.000) 6.179 7.081 ( 1.596 -0.000 0.000) 1.596 7.107 ( -5.093 0.000 0.000) 5.093 7.898 ( 2.732 -0.000 0.000) 2.732 8.264 ( 21.795 -0.000 0.000) 21.795 8.631 ( -0.492 0.000 0.000) 0.492 8.797 ( -4.528 0.000 0.000) 4.528 9.156 ( -1.767 0.000 0.000) 1.767 9.754 ( -6.989 0.000 0.000) 6.989 9.854 ( -2.354 0.000 0.000) 2.354 10.141 ( -8.243 0.000 0.000) 8.243 11.041 ( 0.063 -0.000 0.000) 0.063 11.562 ( 0.822 -0.000 0.000) 0.822 12.559 ( -0.157 0.000 0.000) 0.157 14.854 ( -3.221 0.000 0.000) 3.221 15.459 ( 8.263 -0.000 0.000) 8.263 19.373 ( -1.468 0.000 0.000) 1.468 20.599 ( -2.764 0.000 0.000) 2.764 21.345 ( 4.409 -0.000 0.000) 4.409 21.668 ( -0.128 0.000 0.000) 0.128 21.746 ( -1.538 0.000 0.000) 1.538 22.973 ( -2.592 0.000 0.000) 2.592 23.276 ( 12.230 -0.000 0.000) 12.230 24.092 ( 0.995 -0.000 0.000) 0.995 26.777 ( -3.242 0.000 0.000) 3.242 28.885 ( -0.544 0.000 0.000) 0.544 ======================= Grid point 24 (17/186) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.954 ( 27.821 -18.416 0.000) 33.364 1.960 ( 23.639 -26.511 0.000) 35.519 3.877 ( 53.915 0.792 0.000) 53.921 4.710 ( 4.933 5.565 0.000) 7.437 4.884 ( -12.329 -9.487 0.000) 15.557 5.228 ( -7.736 6.164 0.000) 9.892 5.509 ( -6.893 7.488 0.000) 10.178 5.693 ( 4.778 -0.123 0.000) 4.780 5.970 ( 2.494 6.504 0.000) 6.966 6.253 ( -14.533 -6.293 0.000) 15.837 6.885 ( -9.076 4.589 0.000) 10.170 6.915 ( -0.084 8.185 0.000) 8.186 7.232 ( -2.015 -7.026 0.000) 7.309 7.951 ( 1.220 -5.097 0.000) 5.241 8.435 ( 17.741 5.229 0.000) 18.495 8.627 ( 0.163 2.573 0.000) 2.578 8.792 ( -7.315 -6.975 0.000) 10.108 9.186 ( -2.268 -5.463 0.000) 5.916 9.581 ( -8.020 6.680 0.000) 10.437 9.881 ( -3.517 -2.344 0.000) 4.227 10.090 ( -8.251 -3.997 0.000) 9.168 11.018 ( -0.245 2.118 0.000) 2.132 11.509 ( 0.700 6.030 0.000) 6.071 12.527 ( 3.154 3.475 0.000) 4.693 14.896 ( -5.313 -7.611 0.000) 9.282 15.552 ( 8.406 -0.818 0.000) 8.445 19.388 ( -1.776 -3.688 0.000) 4.094 20.665 ( -0.712 -8.204 0.000) 8.235 21.200 ( 2.475 11.934 0.000) 12.188 21.729 ( -2.771 -2.744 0.000) 3.900 21.926 ( -2.653 -18.424 0.000) 18.614 22.932 ( -3.047 1.166 0.000) 3.262 23.403 ( 14.090 0.703 0.000) 14.107 24.049 ( 0.951 5.954 0.000) 6.030 26.762 ( -4.233 -2.449 0.000) 4.890 28.727 ( 4.513 16.224 0.000) 16.840 ======================= Grid point 25 (18/186) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.593 ( 23.380 -25.049 0.000) 34.265 2.695 ( 18.681 -31.146 0.000) 36.319 3.996 ( -2.786 7.965 0.000) 8.438 4.567 ( 1.676 22.108 0.000) 22.171 4.913 ( -16.982 0.926 0.000) 17.007 5.321 ( 25.109 -5.888 0.000) 25.790 5.362 ( 5.927 -3.726 0.000) 7.001 5.522 ( -5.852 7.399 0.000) 9.433 6.177 ( -13.147 -1.261 0.000) 13.207 6.244 ( 23.048 -10.943 0.000) 25.514 6.612 ( -12.495 7.975 0.000) 14.823 6.888 ( 5.101 2.324 0.000) 5.606 7.286 ( -1.444 -1.363 0.000) 1.985 8.066 ( -1.947 -5.113 0.000) 5.471 8.328 ( -2.149 13.888 0.000) 14.054 8.600 ( 5.816 4.053 0.000) 7.089 8.911 ( -2.749 -12.293 0.000) 12.597 9.270 ( -5.210 -7.481 0.000) 9.116 9.431 ( -3.006 3.092 0.000) 4.312 9.840 ( -5.846 0.255 0.000) 5.852 10.087 ( -6.464 -2.847 0.000) 7.063 10.961 ( 3.952 7.180 0.000) 8.196 11.421 ( -4.374 0.586 0.000) 4.413 12.506 ( 4.548 3.996 0.000) 6.054 14.976 ( -5.565 -7.754 0.000) 9.544 15.649 ( 7.799 -0.690 0.000) 7.829 19.462 ( -2.296 -7.016 0.000) 7.382 20.755 ( 6.742 5.742 0.000) 8.856 21.134 ( -4.764 -9.486 0.000) 10.615 21.738 ( -4.843 -2.493 0.000) 5.447 22.190 ( -3.842 -15.728 0.000) 16.190 22.880 ( -2.340 1.447 0.000) 2.751 23.524 ( 12.934 2.254 0.000) 13.129 23.929 ( 2.952 8.740 0.000) 9.226 26.767 ( -5.694 -3.669 0.000) 6.773 28.483 ( 7.248 18.427 0.000) 19.801 ======================= Grid point 26 (19/186) ======================= q-point: ( 0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.262 ( 18.647 -26.560 0.000) 32.452 3.330 ( 21.899 -13.928 0.000) 25.953 3.836 ( -20.964 -6.810 0.000) 22.042 4.096 ( -0.896 23.186 0.000) 23.203 4.834 ( -12.842 -6.256 0.000) 14.285 4.914 ( -8.172 26.695 0.000) 27.918 5.491 ( -2.671 -3.765 0.000) 4.617 5.968 ( 13.967 0.667 0.000) 13.983 6.076 ( -3.754 -3.543 0.000) 5.162 6.427 ( 15.323 -8.278 0.000) 17.416 6.729 ( 14.618 -11.440 0.000) 18.562 6.897 ( 4.686 2.136 0.000) 5.150 7.238 ( -0.985 6.310 0.000) 6.387 7.835 ( -0.933 25.168 0.000) 25.185 8.219 ( -14.575 -8.008 0.000) 16.630 8.566 ( -0.945 2.363 0.000) 2.545 9.128 ( 3.044 -11.402 0.000) 11.801 9.302 ( -4.494 -2.727 0.000) 5.257 9.447 ( 1.761 -4.958 0.000) 5.261 9.795 ( -6.029 -2.177 0.000) 6.410 10.044 ( -5.151 0.141 0.000) 5.153 10.836 ( 7.800 13.936 0.000) 15.971 11.419 ( -9.784 -8.214 0.000) 12.775 12.465 ( 4.032 6.063 0.000) 7.282 15.050 ( -4.361 -6.564 0.000) 7.881 15.728 ( 6.679 0.215 0.000) 6.682 19.577 ( -2.588 -8.939 0.000) 9.306 20.625 ( 6.232 14.125 0.000) 15.439 21.384 ( -3.965 -20.851 0.000) 21.225 21.715 ( -5.810 -1.661 0.000) 6.043 22.397 ( -3.289 -12.569 0.000) 12.992 22.842 ( -1.138 0.741 0.000) 1.358 23.500 ( 2.532 11.207 0.000) 11.490 23.901 ( 12.964 2.142 0.000) 13.139 26.766 ( -7.479 -3.729 0.000) 8.357 28.237 ( 6.020 17.951 0.000) 18.934 ======================= Grid point 27 (20/186) ======================= q-point: (-0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.378 ( -3.491 20.912 0.000) 21.202 3.584 ( 7.462 4.962 0.000) 8.961 3.909 ( 10.895 -16.382 0.000) 19.675 4.227 ( -2.238 -21.570 0.000) 21.686 4.390 ( -5.674 13.074 0.000) 14.252 4.840 ( -9.980 -7.794 0.000) 12.663 5.462 ( -9.214 0.130 0.000) 9.215 5.835 ( -8.376 5.930 0.000) 10.263 6.118 ( 4.393 -2.765 0.000) 5.191 6.720 ( 7.600 22.782 0.000) 24.016 6.842 ( 6.601 7.713 0.000) 10.152 7.092 ( 16.770 -12.585 0.000) 20.966 7.202 ( 11.644 -9.706 0.000) 15.159 7.429 ( -0.788 18.171 0.000) 18.188 8.169 ( -16.315 -5.481 0.000) 17.211 8.525 ( -6.173 -2.267 0.000) 6.576 9.290 ( 2.920 -0.412 0.000) 2.949 9.362 ( 2.886 -8.509 0.000) 8.985 9.592 ( 2.255 -8.103 0.000) 8.411 9.750 ( -7.921 0.363 0.000) 7.929 10.040 ( -1.930 -5.099 0.000) 5.452 10.661 ( 7.792 14.459 0.000) 16.425 11.476 ( -10.974 -9.707 0.000) 14.651 12.374 ( 2.875 8.505 0.000) 8.977 15.114 ( -2.806 -5.035 0.000) 5.764 15.773 ( 5.015 1.511 0.000) 5.237 19.710 ( -2.344 -9.224 0.000) 9.517 20.429 ( 3.614 14.111 0.000) 14.566 21.601 ( -6.347 -4.248 0.000) 7.638 21.804 ( 0.636 -17.143 0.000) 17.155 22.564 ( -2.137 -10.111 0.000) 10.334 22.833 ( -0.249 -0.447 0.000) 0.512 23.248 ( -2.056 16.499 0.000) 16.627 24.058 ( 15.334 -1.919 0.000) 15.454 26.739 ( -8.950 -2.694 0.000) 9.347 27.982 ( 3.223 16.853 0.000) 17.158 ======================= Grid point 28 (21/186) ======================= q-point: (-0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.887 ( -4.778 27.757 0.000) 28.165 3.574 ( -3.556 28.298 0.000) 28.520 3.706 ( 4.964 -1.843 0.000) 5.295 4.594 ( 3.095 -26.436 0.000) 26.617 4.762 ( 5.023 -23.711 0.000) 24.237 4.906 ( -4.527 -8.591 0.000) 9.711 5.305 ( -10.455 9.747 0.000) 14.293 5.665 ( -5.450 3.880 0.000) 6.690 6.236 ( 2.116 25.681 0.000) 25.768 6.259 ( 4.514 -6.839 0.000) 8.195 6.704 ( 0.140 11.097 0.000) 11.098 6.991 ( 1.713 24.631 0.000) 24.691 7.388 ( 3.312 -6.766 0.000) 7.533 7.629 ( 12.328 -9.077 0.000) 15.309 8.180 ( -8.055 -13.216 0.000) 15.477 8.519 ( -4.480 -2.973 0.000) 5.377 9.316 ( 3.860 0.470 0.000) 3.888 9.523 ( 4.398 -3.532 0.000) 5.641 9.655 ( -8.961 -2.374 0.000) 9.270 9.713 ( 1.432 -1.622 0.000) 2.164 10.160 ( -0.268 -9.000 0.000) 9.004 10.540 ( 6.433 6.743 0.000) 9.319 11.514 ( -8.739 -6.081 0.000) 10.647 12.233 ( 1.535 10.240 0.000) 10.355 15.166 ( -1.288 -3.477 0.000) 3.708 15.777 ( 2.857 2.561 0.000) 3.837 19.845 ( -1.392 -8.556 0.000) 8.668 20.213 ( 1.135 13.725 0.000) 13.772 21.567 ( -3.148 0.555 0.000) 3.197 22.147 ( 2.834 -18.136 0.000) 18.356 22.699 ( -1.563 -6.770 0.000) 6.948 22.851 ( 0.418 -1.299 0.000) 1.365 22.924 ( -3.049 16.413 0.000) 16.694 24.245 ( 11.372 -3.370 0.000) 11.861 26.681 ( -8.101 -0.909 0.000) 8.151 27.724 ( 0.648 15.111 0.000) 15.125 ======================= Grid point 29 (22/186) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 186 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.347 ( -0.000 31.219 0.000) 31.219 2.922 ( -0.000 39.210 0.000) 39.210 3.970 ( 0.000 -18.340 0.000) 18.340 4.682 ( -0.000 40.797 0.000) 40.797 4.901 ( 0.000 -5.662 0.000) 5.662 5.106 ( 0.000 -7.144 0.000) 7.144 5.230 ( 0.000 -25.198 0.000) 25.198 5.697 ( 0.000 -11.737 0.000) 11.737 6.098 ( 0.000 -3.604 0.000) 3.604 6.391 ( -0.000 22.447 0.000) 22.447 6.414 ( 0.000 -7.978 0.000) 7.978 6.652 ( -0.000 12.874 0.000) 12.874 7.482 ( 0.000 -1.865 0.000) 1.865 7.739 ( 0.000 -0.993 0.000) 0.993 8.408 ( 0.000 -12.958 0.000) 12.958 8.511 ( -0.000 2.376 0.000) 2.376 9.346 ( 0.000 -1.021 0.000) 1.021 9.551 ( 0.000 -1.223 0.000) 1.223 9.626 ( -0.000 6.201 0.000) 6.201 9.748 ( 0.000 -5.698 0.000) 5.698 10.323 ( 0.000 -9.700 0.000) 9.700 10.546 ( 0.000 -1.506 0.000) 1.506 11.522 ( 0.000 -0.940 0.000) 0.940 12.061 ( -0.000 10.145 0.000) 10.145 15.209 ( 0.000 -2.171 0.000) 2.171 15.744 ( -0.000 2.971 0.000) 2.971 19.982 ( -0.000 13.291 0.000) 13.291 19.982 ( 0.000 -8.174 0.000) 8.174 21.527 ( -0.000 2.539 0.000) 2.539 22.460 ( 0.000 -15.079 0.000) 15.079 22.540 ( -0.000 18.076 0.000) 18.076 22.849 ( 0.000 -5.556 0.000) 5.556 22.898 ( 0.000 -3.013 0.000) 3.013 24.374 ( 0.000 -3.678 0.000) 3.678 26.634 ( -0.000 0.145 0.000) 0.145 27.482 ( -0.000 12.916 0.000) 12.916 ======================= Grid point 34 (23/186) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.887 ( 15.892 -0.000 0.000) 15.892 2.110 ( 28.995 -0.000 0.000) 28.995 4.539 ( 53.023 -0.000 0.000) 53.023 4.562 ( -19.169 0.000 0.000) 19.169 4.788 ( 2.826 -0.000 0.000) 2.826 5.322 ( 10.516 -0.000 0.000) 10.516 5.477 ( -12.132 0.000 0.000) 12.132 5.746 ( -0.802 0.000 0.000) 0.802 6.015 ( -12.813 0.000 0.000) 12.813 6.082 ( 9.976 -0.000 0.000) 9.976 6.811 ( -12.652 0.000 0.000) 12.652 7.001 ( -4.169 0.000 0.000) 4.169 7.114 ( 1.445 -0.000 0.000) 1.445 7.921 ( -2.223 0.000 0.000) 2.223 8.511 ( -5.157 0.000 0.000) 5.157 8.718 ( 15.397 -0.000 0.000) 15.397 8.744 ( 0.451 -0.000 0.000) 0.451 9.106 ( -3.685 0.000 0.000) 3.685 9.573 ( -9.588 0.000 0.000) 9.588 9.796 ( -3.241 0.000 0.000) 3.241 9.973 ( -7.777 0.000 0.000) 7.777 10.996 ( -4.250 0.000 0.000) 4.250 11.606 ( 3.136 -0.000 0.000) 3.136 12.562 ( 0.414 -0.000 0.000) 0.414 14.792 ( -2.654 0.000 0.000) 2.654 15.631 ( 8.269 -0.000 0.000) 8.269 19.342 ( -1.493 0.000 0.000) 1.493 20.548 ( -2.253 0.000 0.000) 2.253 21.430 ( 3.838 -0.000 0.000) 3.838 21.664 ( -0.250 0.000 0.000) 0.250 21.715 ( -1.471 0.000 0.000) 1.471 22.909 ( -3.304 0.000 0.000) 3.304 23.551 ( 13.845 -0.000 0.000) 13.845 24.113 ( 1.011 -0.000 0.000) 1.011 26.699 ( -4.278 0.000 0.000) 4.278 28.873 ( -0.554 0.000 0.000) 0.554 ======================= Grid point 35 (24/186) ======================= q-point: ( 0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.255 ( 6.308 -26.877 0.000) 27.607 2.509 ( 24.010 -14.155 0.000) 27.872 4.238 ( -2.276 16.448 0.000) 16.605 4.666 ( -11.789 -2.407 0.000) 12.032 5.034 ( -7.416 22.176 0.000) 23.383 5.301 ( 22.961 -10.024 0.000) 25.053 5.553 ( 25.012 -3.135 0.000) 25.208 5.647 ( -2.100 7.985 0.000) 8.256 5.984 ( -9.142 -5.747 0.000) 10.799 6.292 ( 20.435 -7.689 0.000) 21.834 6.607 ( -14.717 7.339 0.000) 16.446 6.953 ( 1.391 0.833 0.000) 1.622 7.194 ( -1.672 -5.860 0.000) 6.094 7.886 ( -9.932 -3.697 0.000) 10.597 8.520 ( -5.261 -2.536 0.000) 5.841 8.672 ( -2.035 3.948 0.000) 4.442 8.826 ( 12.314 4.497 0.000) 13.110 9.108 ( -5.208 -4.871 0.000) 7.131 9.451 ( -3.224 2.677 0.000) 4.190 9.788 ( -5.391 -0.555 0.000) 5.419 9.940 ( -6.180 -4.886 0.000) 7.879 10.968 ( -3.984 -2.198 0.000) 4.550 11.546 ( 2.487 9.576 0.000) 9.894 12.568 ( 1.301 0.276 0.000) 1.330 14.816 ( -2.799 -5.158 0.000) 5.869 15.715 ( 7.036 -0.528 0.000) 7.056 19.354 ( -1.460 -3.198 0.000) 3.516 20.638 ( -1.436 -11.956 0.000) 12.042 21.255 ( 2.502 15.550 0.000) 15.750 21.679 ( -2.029 -0.553 0.000) 2.103 21.896 ( -0.677 -15.634 0.000) 15.648 22.872 ( -2.650 0.600 0.000) 2.717 23.678 ( 11.877 0.935 0.000) 11.913 24.077 ( 1.736 5.008 0.000) 5.301 26.670 ( -4.552 -1.589 0.000) 4.821 28.776 ( 1.136 10.186 0.000) 10.249 ======================= Grid point 36 (25/186) ======================= q-point: ( 0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.848 ( 0.072 -35.949 0.000) 35.949 3.054 ( 17.029 -23.954 0.000) 29.390 3.958 ( 6.102 17.891 0.000) 18.903 4.490 ( -9.969 25.530 0.000) 27.408 4.607 ( -12.155 -4.519 0.000) 12.968 5.263 ( -6.610 21.108 0.000) 22.119 5.502 ( 10.149 1.243 0.000) 10.225 5.916 ( -10.214 -2.538 0.000) 10.525 6.155 ( 15.136 -2.228 0.000) 15.300 6.424 ( 15.265 -6.685 0.000) 16.665 6.675 ( 17.213 -12.136 0.000) 21.061 6.968 ( 2.650 1.075 0.000) 2.860 7.254 ( -1.682 -2.722 0.000) 3.200 7.847 ( -21.244 -9.487 0.000) 23.266 8.271 ( -1.604 22.704 0.000) 22.760 8.665 ( 0.724 3.139 0.000) 3.222 8.922 ( 1.649 -10.594 0.000) 10.722 9.155 ( -4.004 -6.124 0.000) 7.317 9.445 ( 3.254 -0.804 0.000) 3.352 9.726 ( -4.887 -0.002 0.000) 4.887 9.961 ( -5.543 -2.992 0.000) 6.299 11.000 ( 0.165 -3.435 0.000) 3.439 11.360 ( -1.508 11.383 0.000) 11.483 12.565 ( 1.642 2.238 0.000) 2.775 14.895 ( -2.540 -6.783 0.000) 7.243 15.786 ( 5.174 -0.457 0.000) 5.195 19.423 ( -1.430 -6.321 0.000) 6.481 20.866 ( 4.199 -5.177 0.000) 6.666 21.051 ( -3.337 0.658 0.000) 3.401 21.658 ( -2.884 0.073 0.000) 2.885 22.146 ( -1.043 -14.016 0.000) 14.055 22.840 ( -1.447 0.530 0.000) 1.541 23.705 ( 4.718 7.662 0.000) 8.998 24.038 ( 6.604 2.157 0.000) 6.947 26.655 ( -4.742 -2.000 0.000) 5.146 28.572 ( 2.296 15.114 0.000) 15.287 ======================= Grid point 37 (26/186) ======================= q-point: ( 0.60 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.435 ( -6.177 -29.499 0.000) 30.139 3.596 ( 7.857 -17.219 0.000) 18.927 3.775 ( 15.035 10.904 0.000) 18.573 4.029 ( -6.548 10.720 0.000) 12.562 4.583 ( -8.986 -1.673 0.000) 9.141 4.800 ( -3.066 22.743 0.000) 22.949 5.488 ( 1.688 8.559 0.000) 8.724 5.803 ( -8.620 0.449 0.000) 8.632 6.125 ( -0.536 -0.458 0.000) 0.705 6.925 ( 3.938 2.771 0.000) 4.815 6.989 ( 11.619 -13.420 0.000) 17.751 7.076 ( 27.387 -9.721 0.000) 29.061 7.229 ( 1.822 3.717 0.000) 4.140 7.765 ( -25.679 -5.846 0.000) 26.336 7.829 ( -3.234 20.070 0.000) 20.329 8.554 ( -0.204 7.927 0.000) 7.930 9.170 ( 0.706 -14.460 0.000) 14.478 9.247 ( -0.866 -7.005 0.000) 7.059 9.512 ( 3.096 -3.191 0.000) 4.446 9.702 ( -2.660 -0.390 0.000) 2.688 9.944 ( -3.613 -2.274 0.000) 4.269 10.997 ( 7.554 13.560 0.000) 15.523 11.223 ( -8.691 -6.641 0.000) 10.938 12.514 ( 1.105 5.336 0.000) 5.449 14.991 ( -1.435 -6.478 0.000) 6.635 15.829 ( 2.775 0.355 0.000) 2.797 19.539 ( -1.001 -8.399 0.000) 8.459 20.718 ( 2.572 15.439 0.000) 15.652 21.314 ( -2.269 -21.799 0.000) 21.917 21.637 ( -1.939 -1.806 0.000) 2.650 22.360 ( -0.693 -11.907 0.000) 11.927 22.826 ( -0.441 0.034 0.000) 0.442 23.520 ( 0.285 15.030 0.000) 15.033 24.126 ( 6.779 -2.808 0.000) 7.337 26.641 ( -3.819 -1.435 0.000) 4.080 28.309 ( 1.567 17.360 0.000) 17.431 ======================= Grid point 38 (27/186) ======================= q-point: (-0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.309 ( -0.000 22.357 0.000) 22.357 3.669 ( -0.000 6.333 0.000) 6.333 4.089 ( 0.000 -31.695 0.000) 31.695 4.189 ( -0.000 31.480 0.000) 31.480 4.322 ( 0.000 -28.226 0.000) 28.226 4.733 ( 0.000 -7.510 0.000) 7.510 5.349 ( -0.000 5.184 0.000) 5.184 5.723 ( -0.000 4.735 0.000) 4.735 6.180 ( 0.000 -4.760 0.000) 4.760 6.768 ( -0.000 22.979 0.000) 22.979 6.897 ( -0.000 16.081 0.000) 16.081 7.249 ( 0.000 -10.984 0.000) 10.984 7.403 ( -0.000 20.005 0.000) 20.005 7.607 ( 0.000 -6.659 0.000) 6.659 7.797 ( 0.000 -19.034 0.000) 19.034 8.463 ( -0.000 0.884 0.000) 0.884 9.329 ( 0.000 -2.106 0.000) 2.106 9.402 ( 0.000 -11.387 0.000) 11.387 9.628 ( 0.000 -7.599 0.000) 7.599 9.646 ( -0.000 4.167 0.000) 4.167 10.013 ( 0.000 -7.270 0.000) 7.270 10.762 ( -0.000 14.649 0.000) 14.649 11.340 ( 0.000 -9.066 0.000) 9.066 12.402 ( -0.000 8.267 0.000) 8.267 15.085 ( 0.000 -5.153 0.000) 5.153 15.827 ( -0.000 1.522 0.000) 1.522 19.685 ( 0.000 -8.957 0.000) 8.957 20.468 ( -0.000 14.808 0.000) 14.808 21.532 ( 0.000 -3.606 0.000) 3.606 21.809 ( 0.000 -19.674 0.000) 19.674 22.545 ( 0.000 -9.865 0.000) 9.865 22.830 ( 0.000 -0.797 0.000) 0.797 23.228 ( -0.000 18.252 0.000) 18.252 24.229 ( 0.000 -4.296 0.000) 4.296 26.635 ( 0.000 -0.508 0.000) 0.508 28.014 ( -0.000 17.396 0.000) 17.396 ======================= Grid point 45 (28/186) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 186 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.027 ( -0.668 0.000 0.000) 0.668 2.606 ( 18.770 -0.000 0.000) 18.770 4.379 ( 1.503 -0.000 0.000) 1.503 4.519 ( -11.240 0.000 0.000) 11.240 5.117 ( -19.125 0.000 0.000) 19.125 5.456 ( 19.478 -0.000 0.000) 19.478 5.694 ( -3.148 0.000 0.000) 3.148 5.720 ( 8.795 -0.000 0.000) 8.795 5.964 ( 22.396 -0.000 0.000) 22.396 6.416 ( 16.822 -0.000 0.000) 16.822 6.568 ( -4.401 0.000 0.000) 4.401 6.943 ( -1.669 0.000 0.000) 1.669 7.132 ( 0.226 -0.000 0.000) 0.226 7.723 ( -19.084 0.000 0.000) 19.084 8.349 ( -8.139 0.000 0.000) 8.139 8.747 ( 0.522 -0.000 0.000) 0.522 9.002 ( -5.489 0.000 0.000) 5.489 9.021 ( 11.379 -0.000 0.000) 11.379 9.441 ( -2.753 0.000 0.000) 2.753 9.733 ( -2.564 0.000 0.000) 2.564 9.837 ( -5.421 0.000 0.000) 5.421 10.898 ( -4.507 0.000 0.000) 4.507 11.668 ( 2.492 -0.000 0.000) 2.492 12.572 ( 0.477 -0.000 0.000) 0.477 14.751 ( -1.357 0.000 0.000) 1.357 15.772 ( 5.139 -0.000 0.000) 5.139 19.316 ( -0.936 0.000 0.000) 0.936 20.511 ( -1.254 0.000 0.000) 1.254 21.493 ( 2.231 -0.000 0.000) 2.231 21.659 ( -0.273 0.000 0.000) 0.273 21.691 ( -0.822 0.000 0.000) 0.822 22.851 ( -2.132 0.000 0.000) 2.132 23.795 ( 9.259 -0.000 0.000) 9.259 24.130 ( 0.633 -0.000 0.000) 0.633 26.617 ( -3.347 0.000 0.000) 3.347 28.864 ( -0.348 0.000 0.000) 0.348 ======================= Grid point 46 (29/186) ======================= q-point: ( 0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.257 ( -2.623 -26.760 0.000) 26.888 2.874 ( 10.348 -13.354 0.000) 16.894 4.323 ( 9.567 11.650 0.000) 15.075 4.446 ( -7.074 -2.408 0.000) 7.473 4.747 ( -14.703 19.192 0.000) 24.177 5.521 ( 0.067 12.689 0.000) 12.689 5.605 ( 2.320 -1.280 0.000) 2.649 5.848 ( 8.777 -2.018 0.000) 9.006 6.129 ( -10.348 -1.533 0.000) 10.461 6.578 ( 19.367 -3.089 0.000) 19.612 6.703 ( 25.058 -4.636 0.000) 25.484 6.966 ( 0.054 -2.770 0.000) 2.771 7.167 ( -0.545 -3.732 0.000) 3.772 7.496 ( -27.414 -2.319 0.000) 27.512 8.402 ( -4.282 -9.590 0.000) 10.503 8.657 ( -0.023 8.563 0.000) 8.563 8.948 ( -0.364 2.711 0.000) 2.735 9.077 ( 2.626 0.720 0.000) 2.723 9.449 ( 1.496 -1.933 0.000) 2.444 9.688 ( -3.550 1.271 0.000) 3.770 9.852 ( -2.315 -4.646 0.000) 5.191 10.895 ( -2.341 -4.040 0.000) 4.669 11.587 ( 1.205 10.835 0.000) 10.902 12.585 ( 0.425 -0.568 0.000) 0.710 14.779 ( -0.871 -4.258 0.000) 4.346 15.817 ( 2.725 -0.548 0.000) 2.779 19.333 ( -0.565 -2.897 0.000) 2.952 20.617 ( -0.588 -12.791 0.000) 12.804 21.291 ( 0.953 16.305 0.000) 16.333 21.650 ( -0.767 0.789 0.000) 1.101 21.890 ( -0.112 -14.868 0.000) 14.869 22.833 ( -1.024 0.182 0.000) 1.040 23.845 ( 4.160 3.098 0.000) 5.187 24.113 ( 1.409 1.981 0.000) 2.431 26.597 ( -2.100 -0.800 0.000) 2.247 28.788 ( 0.201 8.255 0.000) 8.258 ======================= Grid point 47 (30/186) ======================= q-point: (-0.40 -0.60 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 186 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.809 ( 0.000 -36.178 0.000) 36.178 3.248 ( 0.000 -22.819 0.000) 22.819 4.170 ( -0.000 15.054 0.000) 15.054 4.257 ( -0.000 23.752 0.000) 23.752 4.468 ( 0.000 -4.189 0.000) 4.189 5.194 ( -0.000 22.143 0.000) 22.143 5.696 ( 0.000 -4.838 0.000) 4.838 5.764 ( -0.000 16.306 0.000) 16.306 6.069 ( 0.000 -4.072 0.000) 4.072 6.821 ( 0.000 -11.352 0.000) 11.352 6.989 ( -0.000 0.564 0.000) 0.564 7.119 ( 0.000 -15.382 0.000) 15.382 7.233 ( 0.000 -2.398 0.000) 2.398 7.335 ( 0.000 -6.307 0.000) 6.307 8.256 ( -0.000 21.952 0.000) 21.952 8.666 ( 0.000 -0.772 0.000) 0.772 8.936 ( 0.000 -7.027 0.000) 7.027 9.123 ( 0.000 -5.459 0.000) 5.459 9.497 ( 0.000 -1.619 0.000) 1.619 9.667 ( 0.000 -1.340 0.000) 1.340 9.896 ( 0.000 -1.838 0.000) 1.838 10.995 ( 0.000 -8.630 0.000) 8.630 11.348 ( -0.000 16.532 0.000) 16.532 12.581 ( -0.000 1.788 0.000) 1.788 14.870 ( 0.000 -6.417 0.000) 6.417 15.841 ( 0.000 -0.479 0.000) 0.479 19.408 ( 0.000 -6.056 0.000) 6.056 20.916 ( 0.000 -21.093 0.000) 21.093 21.010 ( -0.000 16.489 0.000) 16.489 21.627 ( -0.000 0.983 0.000) 0.983 22.136 ( 0.000 -13.632 0.000) 13.632 22.825 ( -0.000 0.172 0.000) 0.172 23.747 ( -0.000 10.268 0.000) 10.268 24.118 ( 0.000 -1.288 0.000) 1.288 26.602 ( 0.000 -1.075 0.000) 1.075 28.593 ( -0.000 14.176 0.000) 14.176 ======================= Grid point 58 (31/186) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.991 ( 0.000 -0.000 0.000) 0.000 2.809 ( 0.000 -0.000 0.000) 0.000 4.388 ( 0.000 -0.000 0.000) 0.000 4.479 ( 0.000 -0.000 0.000) 0.000 4.850 ( 0.000 -0.000 0.000) 0.000 5.573 ( 0.000 -0.000 0.000) 0.000 5.659 ( 0.000 -0.000 0.000) 0.000 5.950 ( 0.000 -0.000 0.000) 0.000 5.981 ( -0.000 0.000 0.000) 0.000 6.611 ( 0.000 -0.000 0.000) 0.000 6.884 ( 0.000 -0.000 0.000) 0.000 6.985 ( 0.000 -0.000 0.000) 0.000 7.130 ( 0.000 -0.000 0.000) 0.000 7.258 ( -0.000 0.000 0.000) 0.000 8.253 ( 0.000 -0.000 0.000) 0.000 8.754 ( 0.000 -0.000 0.000) 0.000 8.940 ( 0.000 -0.000 0.000) 0.000 9.142 ( 0.000 -0.000 0.000) 0.000 9.425 ( 0.000 -0.000 0.000) 0.000 9.705 ( 0.000 -0.000 0.000) 0.000 9.776 ( 0.000 -0.000 0.000) 0.000 10.847 ( 0.000 -0.000 0.000) 0.000 11.694 ( 0.000 -0.000 0.000) 0.000 12.577 ( 0.000 -0.000 0.000) 0.000 14.737 ( 0.000 -0.000 0.000) 0.000 15.826 ( 0.000 -0.000 0.000) 0.000 19.306 ( 0.000 -0.000 0.000) 0.000 20.499 ( 0.000 -0.000 0.000) 0.000 21.516 ( 0.000 -0.000 0.000) 0.000 21.656 ( 0.000 -0.000 0.000) 0.000 21.683 ( 0.000 -0.000 0.000) 0.000 22.829 ( 0.000 -0.000 0.000) 0.000 23.893 ( 0.000 -0.000 0.000) 0.000 24.137 ( 0.000 -0.000 0.000) 0.000 26.580 ( 0.000 -0.000 0.000) 0.000 28.860 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 105 (32/186) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.716 ( 0.000 0.000 36.416) 36.416 0.835 ( 0.000 0.000 42.139) 42.139 1.480 ( 0.000 0.000 74.692) 74.692 4.425 ( 0.000 0.000 -3.773) 3.773 4.629 ( 0.000 0.000 -7.632) 7.632 5.389 ( 0.000 0.000 -19.351) 19.351 5.800 ( 0.000 0.000 -25.686) 25.686 6.194 ( 0.000 0.000 1.289) 1.289 6.407 ( 0.000 0.000 5.546) 5.546 6.440 ( 0.000 0.000 -19.991) 19.991 6.844 ( 0.000 0.000 -19.929) 19.929 7.140 ( 0.000 0.000 2.391) 2.391 7.263 ( 0.000 0.000 11.017) 11.017 7.727 ( 0.000 0.000 12.986) 12.986 7.865 ( 0.000 0.000 2.117) 2.117 8.801 ( 0.000 0.000 16.143) 16.143 8.924 ( 0.000 0.000 0.555) 0.555 9.838 ( 0.000 0.000 -6.272) 6.272 9.910 ( 0.000 0.000 -2.045) 2.045 9.964 ( 0.000 0.000 8.824) 8.824 10.921 ( 0.000 0.000 1.603) 1.603 11.035 ( 0.000 0.000 5.544) 5.544 11.143 ( 0.000 0.000 0.810) 0.810 11.529 ( 0.000 0.000 -4.784) 4.784 14.959 ( 0.000 0.000 2.258) 2.258 15.405 ( 0.000 0.000 -0.953) 0.953 20.399 ( 0.000 0.000 -1.605) 1.605 20.701 ( 0.000 0.000 2.407) 2.407 21.164 ( 0.000 0.000 -6.176) 6.176 21.412 ( 0.000 0.000 -1.318) 1.318 22.925 ( 0.000 0.000 -0.398) 0.398 23.038 ( 0.000 0.000 -1.554) 1.554 23.127 ( 0.000 0.000 2.375) 2.375 23.885 ( 0.000 0.000 -1.624) 1.624 26.816 ( 0.000 0.000 -0.541) 0.541 26.837 ( 0.000 0.000 -0.560) 0.560 ======================= Grid point 106 (33/186) ======================= q-point: ( 0.10 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( 28.686 -18.599 24.153) 41.859 1.221 ( 9.271 -21.324 37.908) 44.471 1.959 ( 22.159 -46.423 45.764) 68.851 4.525 ( -2.187 -8.868 -4.378) 10.129 4.710 ( 9.682 -6.408 -7.481) 13.811 5.276 ( -2.116 8.773 -18.438) 20.528 5.801 ( -9.090 -1.853 -17.251) 19.587 6.106 ( -6.180 8.402 0.332) 10.435 6.136 ( -6.303 17.206 1.559) 18.391 6.358 ( 4.040 9.755 -18.828) 21.587 6.845 ( -4.122 0.814 -8.186) 9.201 7.132 ( -1.239 -0.889 -5.870) 6.065 7.202 ( 0.836 10.168 4.407) 11.113 7.811 ( 8.971 -3.684 12.561) 15.869 7.951 ( 0.931 -10.145 4.174) 11.010 8.784 ( -1.441 1.060 13.575) 13.692 9.039 ( -1.183 -9.389 -2.903) 9.898 9.618 ( -11.237 7.075 7.337) 15.170 9.869 ( -7.674 3.023 2.907) 8.745 9.983 ( -0.387 -2.137 2.986) 3.692 10.487 ( -17.904 1.062 11.166) 21.127 10.945 ( 4.604 10.952 4.987) 12.885 11.418 ( 14.186 0.456 -0.794) 14.215 11.794 ( 22.440 -2.611 -11.463) 25.334 15.138 ( -2.528 -11.685 -5.698) 13.243 15.425 ( -4.011 -4.749 -1.919) 6.506 19.988 ( -16.343 18.029 29.645) 38.353 20.449 ( 12.507 10.837 1.462) 16.614 21.195 ( -2.129 -4.498 -5.737) 7.594 21.688 ( -0.815 -13.513 -10.090) 16.884 22.763 ( -38.285 -12.120 6.420) 40.668 22.919 ( 1.101 1.600 -0.271) 1.961 23.117 ( 1.603 1.567 3.016) 3.758 24.095 ( -8.031 -9.229 -8.353) 14.813 26.839 ( 3.888 0.399 -1.771) 4.291 27.231 ( 56.914 10.607 -18.067) 60.648 ======================= Grid point 107 (34/186) ======================= q-point: ( 0.20 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.770 ( 28.115 -22.139 13.874) 38.380 1.807 ( 15.202 -30.579 18.864) 39.013 3.115 ( 25.825 -52.777 27.214) 64.752 4.585 ( -5.298 -1.909 -6.417) 8.538 4.920 ( 5.854 6.142 -11.460) 14.259 5.196 ( 7.151 -5.391 -9.970) 13.401 5.582 ( -10.986 8.654 -0.026) 13.985 5.778 ( -14.472 7.574 -4.225) 16.871 5.925 ( -5.885 8.966 -5.770) 12.178 6.301 ( 9.011 3.081 -18.740) 21.021 6.711 ( -7.572 6.814 2.458) 10.479 6.909 ( -0.239 18.846 2.290) 18.986 7.198 ( -0.305 -3.415 -15.538) 15.912 7.931 ( 8.077 0.591 8.063) 11.428 8.211 ( 2.664 -15.386 6.388) 16.871 8.717 ( -3.553 4.308 9.632) 11.134 9.151 ( -2.673 -5.265 -2.954) 6.602 9.497 ( -7.169 -3.291 7.903) 11.166 9.699 ( -6.452 7.243 1.883) 9.882 10.008 ( 1.613 0.137 3.801) 4.131 10.374 ( -12.098 -1.456 2.243) 12.390 10.791 ( 5.171 11.857 5.887) 14.212 11.551 ( 1.863 -7.275 0.078) 7.510 11.984 ( 19.302 3.623 -4.099) 20.063 15.234 ( -2.085 -3.725 -1.199) 4.433 15.483 ( -4.163 -6.291 -2.171) 7.850 19.773 ( -5.443 -1.292 18.590) 19.414 20.390 ( 9.680 9.530 0.937) 13.616 21.280 ( -2.141 -7.841 -5.219) 9.659 21.865 ( -3.343 -10.484 -7.851) 13.517 22.679 ( -20.370 -10.127 0.088) 22.749 22.895 ( 1.847 2.924 -0.621) 3.514 23.111 ( 4.291 2.252 4.797) 6.819 24.061 ( -12.870 -1.302 -2.789) 13.233 26.884 ( 3.004 -1.487 -1.534) 3.686 27.479 ( 36.135 12.513 -11.042) 39.802 ======================= Grid point 108 (35/186) ======================= q-point: ( 0.30 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.402 ( 25.129 -18.839 8.787) 32.613 2.518 ( 14.838 -33.068 6.702) 36.858 4.037 ( 5.373 -13.212 10.427) 17.668 4.559 ( 1.891 -14.480 3.830) 15.097 4.804 ( 3.711 3.787 -9.423) 10.812 5.126 ( -4.424 14.058 -3.595) 15.170 5.432 ( -12.974 5.720 -5.886) 15.352 5.691 ( 5.619 -0.295 -3.981) 6.893 5.903 ( 2.383 -16.761 -0.284) 16.931 6.374 ( 4.519 -1.005 -14.089) 14.830 6.487 ( -5.554 9.762 0.520) 11.243 6.600 ( 1.803 15.371 0.110) 15.476 7.229 ( -2.755 -1.375 -14.821) 15.137 7.924 ( 0.990 7.517 8.284) 11.230 8.465 ( 1.712 -6.701 4.100) 8.040 8.589 ( -1.369 1.898 6.148) 6.578 9.172 ( -3.756 -1.818 -1.779) 4.536 9.496 ( -5.068 3.282 -0.085) 6.039 9.571 ( -4.011 -4.471 3.847) 7.133 10.010 ( 2.264 1.698 4.088) 4.972 10.251 ( -11.918 1.052 -0.218) 11.966 10.648 ( 5.196 10.890 7.983) 14.468 11.712 ( -1.962 -11.106 0.324) 11.283 12.075 ( 14.780 5.670 -1.014) 15.863 15.261 ( -1.255 -1.737 1.108) 2.412 15.547 ( -2.406 -4.806 -0.945) 5.457 19.818 ( -3.553 -7.549 11.004) 13.809 20.315 ( 8.033 9.477 1.907) 12.569 21.421 ( 0.948 -9.179 -4.846) 10.423 21.974 ( -7.630 -7.785 -7.533) 13.250 22.663 ( -9.812 -5.283 -3.963) 11.827 22.860 ( 0.466 2.197 -0.579) 2.319 23.142 ( 9.546 1.882 6.860) 11.905 23.917 ( -13.507 1.991 0.170) 13.654 26.945 ( 2.303 -2.336 -1.313) 3.534 27.582 ( 21.352 8.581 -6.563) 23.929 ======================= Grid point 109 (36/186) ======================= q-point: ( 0.40 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.917 ( 18.377 -15.406 6.067) 24.736 3.217 ( 12.784 -30.020 -0.208) 32.630 3.806 ( -5.332 18.432 3.881) 19.576 4.520 ( -12.593 14.309 -17.069) 25.586 4.831 ( -8.138 4.782 1.407) 9.543 5.104 ( -3.505 -4.007 -0.027) 5.324 5.452 ( 11.247 -15.265 4.743) 19.545 5.881 ( 19.127 -8.886 2.035) 21.188 6.089 ( -6.709 -1.129 3.903) 7.843 6.268 ( -3.205 4.385 1.612) 5.665 6.476 ( 5.076 0.182 -8.779) 10.142 6.565 ( 6.918 -10.220 -11.015) 16.542 7.178 ( -4.925 2.767 -10.097) 11.570 7.626 ( -11.141 20.001 7.709) 24.158 8.427 ( 0.580 2.565 2.489) 3.621 8.736 ( 5.117 -6.636 4.921) 9.717 9.167 ( -2.149 -1.649 -2.996) 4.039 9.376 ( -3.955 3.724 -4.498) 7.053 9.624 ( -3.835 -3.532 1.207) 5.352 9.998 ( 2.035 2.485 0.017) 3.211 10.149 ( -7.711 -2.484 5.194) 9.623 10.518 ( 3.777 9.104 10.353) 14.295 11.879 ( -4.633 -11.556 0.646) 12.467 12.088 ( 10.745 7.787 -0.290) 13.273 15.274 ( -0.540 -0.895 1.975) 2.234 15.595 ( -0.994 -2.578 -0.060) 2.764 19.926 ( -3.293 -8.071 7.574) 11.548 20.230 ( 5.786 8.138 2.955) 10.413 21.609 ( 5.326 -8.603 -4.891) 11.238 21.958 ( -10.384 -0.777 -6.706) 12.386 22.660 ( -3.654 -2.229 -6.855) 8.082 22.836 ( -0.483 0.614 -0.455) 0.904 23.242 ( 12.516 -0.119 7.876) 14.789 23.735 ( -12.866 2.973 2.099) 13.371 27.002 ( 1.240 -1.875 -1.214) 2.554 27.626 ( 10.166 4.520 -4.714) 12.083 ======================= Grid point 110 (37/186) ======================= q-point: (-0.50 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.270 ( 0.000 -0.000 4.776) 4.776 3.414 ( 0.000 -0.000 4.027) 4.027 3.779 ( 0.000 -0.000 -1.643) 1.643 4.140 ( -0.000 0.000 -15.086) 15.086 4.771 ( 0.000 -0.000 4.224) 4.224 5.074 ( 0.000 -0.000 -8.139) 8.139 5.723 ( -0.000 0.000 3.842) 3.842 5.846 ( 0.000 -0.000 0.863) 0.863 6.183 ( 0.000 -0.000 0.759) 0.759 6.374 ( -0.000 -0.000 13.079) 13.079 6.495 ( 0.000 -0.000 -17.474) 17.474 6.771 ( 0.000 -0.000 -3.136) 3.136 7.094 ( 0.000 -0.000 4.158) 4.158 7.251 ( 0.000 -0.000 -6.989) 6.989 8.415 ( 0.000 -0.000 2.885) 2.885 8.826 ( 0.000 -0.000 6.329) 6.329 9.181 ( 0.000 -0.000 -6.420) 6.420 9.311 ( -0.000 -0.000 -5.033) 5.033 9.624 ( 0.000 -0.000 -0.894) 0.894 9.978 ( -0.000 -0.000 -2.189) 2.189 10.156 ( 0.000 -0.000 8.287) 8.287 10.445 ( 0.000 0.000 11.952) 11.952 11.985 ( -0.000 -0.000 2.012) 2.012 12.046 ( 0.000 -0.000 -1.437) 1.437 15.280 ( 0.000 -0.000 2.218) 2.218 15.612 ( -0.000 -0.000 0.231) 0.231 19.992 ( -0.000 -0.000 6.484) 6.484 20.177 ( 0.000 -0.000 3.467) 3.467 21.807 ( -0.000 0.000 -6.656) 6.656 21.814 ( 0.000 -0.000 -4.386) 4.386 22.661 ( 0.000 -0.000 -7.904) 7.904 22.828 ( 0.000 -0.000 -0.455) 0.455 23.338 ( 0.000 -0.000 8.119) 8.119 23.613 ( 0.000 -0.000 2.686) 2.686 27.026 ( 0.000 -0.000 -1.200) 1.200 27.638 ( 0.000 -0.000 -4.193) 4.193 ======================= Grid point 117 (38/186) ======================= q-point: ( 0.10 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( 23.791 -0.000 31.576) 39.535 1.289 ( 22.355 -0.000 41.356) 47.011 1.980 ( 59.594 -0.000 37.813) 70.578 4.482 ( 6.166 -0.000 -3.757) 7.220 4.736 ( 8.991 -0.000 -9.826) 13.319 5.311 ( -5.740 0.000 -16.967) 17.912 5.670 ( -11.819 0.000 -16.792) 20.535 6.080 ( -9.114 0.000 0.264) 9.117 6.285 ( -10.828 0.000 2.210) 11.051 6.393 ( -5.497 0.000 -17.490) 18.334 6.871 ( 2.543 -0.000 -17.402) 17.587 7.050 ( -6.527 0.000 -1.045) 6.610 7.276 ( -2.461 0.000 7.011) 7.430 7.901 ( 3.459 -0.000 4.772) 5.893 7.925 ( 16.905 -0.000 9.356) 19.321 8.747 ( -4.972 0.000 8.620) 9.951 8.930 ( 0.426 -0.000 6.333) 6.347 9.495 ( -20.087 0.000 16.660) 26.097 9.834 ( -0.537 0.000 -5.554) 5.580 9.941 ( -3.491 0.000 8.425) 9.120 10.347 ( -10.204 0.000 6.629) 12.168 11.049 ( 0.813 -0.000 3.643) 3.732 11.540 ( 1.346 -0.000 -2.245) 2.617 12.142 ( 28.993 -0.000 -24.665) 38.064 14.937 ( -2.113 0.000 2.432) 3.221 15.375 ( 0.647 -0.000 2.131) 2.228 19.941 ( -23.799 0.000 29.091) 37.586 20.676 ( -2.259 0.000 2.364) 3.269 21.197 ( 2.958 -0.000 -6.529) 7.168 21.461 ( 2.712 -0.000 -8.249) 8.684 22.155 ( -26.175 0.000 21.430) 33.828 22.959 ( 1.904 -0.000 -1.520) 2.436 23.153 ( 3.773 -0.000 3.570) 5.194 24.039 ( 3.069 -0.000 -3.445) 4.613 26.823 ( -1.330 0.000 -0.269) 1.357 28.059 ( 48.145 -0.000 -50.344) 69.659 ======================= Grid point 118 (39/186) ======================= q-point: ( 0.20 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.554 ( 23.041 -18.482 24.763) 38.544 1.725 ( 27.347 -20.055 23.996) 41.543 2.839 ( 57.633 -23.386 24.925) 67.005 4.538 ( 3.522 0.690 -5.855) 6.867 4.928 ( 6.242 -9.556 -11.435) 16.157 5.215 ( -3.979 3.256 -15.339) 16.178 5.562 ( -7.648 -0.427 -3.884) 8.588 5.871 ( -13.877 15.919 0.189) 21.119 5.987 ( -9.262 9.035 -3.720) 13.463 6.387 ( -3.434 -1.509 -12.582) 13.129 6.750 ( -3.073 7.899 -9.203) 12.511 7.084 ( -4.422 0.258 -4.802) 6.533 7.173 ( -3.707 3.532 -3.417) 6.155 7.990 ( 3.370 -5.981 7.431) 10.117 8.108 ( 17.763 -0.802 7.912) 19.462 8.718 ( -5.212 -0.498 5.847) 7.848 8.992 ( -3.264 -6.573 4.614) 8.668 9.358 ( -9.512 -2.439 10.042) 14.045 9.750 ( -5.402 6.034 0.666) 8.126 9.955 ( -2.484 -3.976 3.220) 5.688 10.268 ( -7.582 -0.619 2.907) 8.144 11.011 ( 2.235 5.770 2.962) 6.860 11.513 ( 1.662 2.585 0.298) 3.088 12.280 ( 16.742 6.235 -9.671) 20.315 15.033 ( -6.366 -10.921 -0.299) 12.644 15.416 ( 3.996 -1.731 0.792) 4.426 19.716 ( -9.327 2.367 23.507) 25.401 20.636 ( 5.178 4.651 0.350) 6.969 21.143 ( -1.756 -0.053 -4.009) 4.377 21.665 ( -1.133 -11.019 -9.924) 14.873 22.145 ( -17.998 -18.320 7.600) 26.783 22.953 ( -0.108 1.626 -1.866) 2.477 23.205 ( 8.568 1.093 4.268) 9.634 24.032 ( -0.119 3.243 -1.605) 3.620 26.830 ( -2.078 -2.607 -0.169) 3.338 28.192 ( 29.124 20.996 -27.444) 45.191 ======================= Grid point 119 (40/186) ======================= q-point: ( 0.30 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.181 ( 21.806 -26.462 12.364) 36.450 2.376 ( 28.332 -19.963 12.672) 36.903 3.772 ( 31.836 -25.604 17.094) 44.287 4.511 ( -1.393 4.544 -6.570) 8.109 4.987 ( 5.898 6.209 -6.781) 10.924 5.140 ( -15.372 -3.484 -6.589) 17.083 5.419 ( -8.176 12.897 -3.749) 15.724 5.733 ( -11.230 5.760 -1.631) 12.726 5.755 ( 16.791 -10.107 -2.019) 19.702 6.378 ( -5.268 -0.969 -7.128) 8.917 6.600 ( 0.843 7.030 -10.851) 12.957 6.839 ( -7.166 13.612 -0.327) 15.387 7.186 ( -0.895 -2.063 -13.494) 13.680 8.079 ( 5.206 3.340 6.252) 8.795 8.331 ( 8.478 -8.687 8.243) 14.672 8.630 ( -3.952 4.378 5.723) 8.218 9.045 ( -6.927 -5.786 1.663) 9.178 9.379 ( -4.422 -6.989 4.250) 9.298 9.572 ( -6.150 6.472 1.752) 9.099 9.972 ( -5.082 -1.909 2.247) 5.876 10.201 ( -5.760 0.776 0.049) 5.812 10.908 ( 5.724 10.404 5.223) 12.972 11.526 ( -2.713 -4.844 1.267) 5.695 12.325 ( 12.503 5.676 -2.596) 13.975 15.127 ( -6.954 -7.976 0.822) 10.614 15.502 ( 5.370 -2.257 -0.162) 5.827 19.675 ( -4.162 -4.357 15.185) 16.337 20.582 ( 8.686 10.040 -0.748) 13.297 21.214 ( -4.212 -11.302 -2.581) 12.334 21.785 ( -4.109 -6.781 -6.423) 10.204 22.299 ( -14.365 -17.052 -2.228) 22.407 22.909 ( -1.195 2.391 -1.421) 3.027 23.290 ( 12.817 1.554 4.605) 13.707 23.930 ( -1.850 6.987 0.404) 7.239 26.864 ( -3.211 -4.209 -0.154) 5.296 28.085 ( 21.268 19.486 -13.373) 31.794 ======================= Grid point 120 (41/186) ======================= q-point: ( 0.40 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.865 ( 19.056 -27.114 4.746) 33.479 2.935 ( 26.002 -12.614 6.643) 29.654 4.089 ( -0.031 10.303 2.991) 10.728 4.338 ( -16.847 -3.243 -0.273) 17.158 4.928 ( -9.349 11.631 -7.358) 16.638 5.026 ( -5.195 4.312 -4.018) 7.856 5.384 ( 16.763 -9.161 1.673) 19.176 5.717 ( 0.904 -15.945 5.522) 16.899 6.133 ( 15.966 -3.950 -3.265) 16.768 6.269 ( -7.925 2.358 0.002) 8.268 6.547 ( 2.675 2.312 -4.831) 5.987 6.612 ( 2.992 4.752 -14.241) 15.309 7.184 ( -1.597 1.315 -11.135) 11.326 7.904 ( -2.343 19.652 7.401) 21.130 8.449 ( -2.802 -0.347 5.019) 5.759 8.632 ( 2.707 -6.880 6.195) 9.646 9.080 ( -3.654 -5.030 -1.982) 6.525 9.403 ( -4.482 2.495 -1.206) 5.270 9.489 ( -3.390 -5.414 2.668) 6.922 9.936 ( -7.743 -2.428 0.133) 8.116 10.130 ( -2.289 2.156 1.797) 3.622 10.773 ( 6.932 12.566 8.231) 16.544 11.614 ( -6.740 -10.331 1.396) 12.414 12.329 ( 9.378 6.957 -0.686) 11.697 15.181 ( -5.510 -5.725 1.977) 8.188 15.590 ( 5.755 -1.201 -0.058) 5.879 19.748 ( -3.309 -7.764 10.740) 13.660 20.475 ( 7.431 11.471 -0.001) 13.667 21.423 ( -1.183 -15.247 -2.787) 15.544 21.819 ( -7.149 -3.667 -4.944) 9.434 22.429 ( -10.662 -12.657 -6.831) 17.904 22.859 ( -0.903 1.824 -0.813) 2.191 23.400 ( 13.448 2.068 5.191) 14.563 23.775 ( -0.516 8.284 2.138) 8.571 26.903 ( -5.018 -4.887 -0.191) 7.007 27.960 ( 14.373 16.007 -7.791) 22.881 ======================= Grid point 121 (42/186) ======================= q-point: ( 0.50 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.280 ( 16.048 -4.744 5.290) 17.551 3.464 ( 9.132 -11.472 0.138) 14.664 3.754 ( 1.758 9.546 1.269) 9.789 4.300 ( -7.694 8.389 -10.459) 15.458 4.580 ( -12.997 -2.508 5.675) 14.402 4.970 ( -10.133 -5.074 -7.660) 13.678 5.614 ( 0.548 -7.700 0.451) 7.733 5.899 ( -5.028 5.194 2.140) 7.539 6.163 ( -5.229 0.719 -0.437) 5.296 6.418 ( 23.889 -10.078 6.617) 26.759 6.569 ( 6.076 3.191 -13.855) 15.461 6.780 ( 13.052 -8.323 -5.164) 16.319 7.111 ( -0.421 3.076 -2.347) 3.892 7.437 ( -6.700 23.731 1.084) 24.682 8.411 ( -3.054 1.050 4.158) 5.265 8.740 ( -6.114 -5.857 6.027) 10.393 9.144 ( 0.585 -3.452 -6.554) 7.431 9.340 ( 1.087 1.676 -1.650) 2.591 9.561 ( -1.530 -5.872 -1.064) 6.160 9.907 ( -7.729 -2.725 -1.304) 8.298 10.117 ( 0.569 -2.645 6.567) 7.102 10.619 ( 6.268 12.614 10.364) 17.488 11.722 ( -9.828 -11.256 1.585) 15.027 12.272 ( 6.754 9.039 -0.567) 11.298 15.217 ( -4.105 -4.090 2.472) 6.300 15.654 ( 5.672 0.671 0.103) 5.713 19.857 ( -3.276 -8.352 8.352) 12.257 20.344 ( 5.231 10.921 1.454) 12.196 21.675 ( -2.314 -11.557 -5.010) 12.807 21.788 ( -2.953 -2.783 -3.214) 5.177 22.523 ( -7.751 -9.022 -9.534) 15.244 22.834 ( -0.119 0.372 -0.433) 0.583 23.398 ( -0.508 7.708 7.845) 11.009 23.732 ( 14.018 2.587 1.891) 14.380 26.923 ( -7.600 -4.641 -0.341) 8.912 27.820 ( 7.770 13.255 -5.331) 16.263 ======================= Grid point 122 (43/186) ======================= q-point: (-0.40 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.106 ( -9.223 21.754 5.330) 24.222 3.574 ( 7.741 0.863 2.371) 8.142 3.675 ( -5.296 16.608 -0.091) 17.432 4.304 ( 11.387 -20.441 -11.559) 26.099 4.718 ( -2.994 -11.812 -1.847) 12.325 5.032 ( -3.877 -11.782 -0.353) 12.408 5.584 ( -10.893 6.004 2.750) 12.739 5.780 ( -9.914 1.116 -4.502) 10.945 6.177 ( 3.012 -4.793 1.878) 5.964 6.361 ( 0.925 24.690 15.299) 29.061 6.497 ( -0.117 5.011 -17.852) 18.543 6.840 ( 4.570 18.101 -6.380) 19.729 7.183 ( 4.875 -2.212 -8.884) 10.373 7.426 ( 16.695 -19.753 7.656) 26.973 8.364 ( -4.755 -1.478 3.055) 5.842 8.717 ( -8.975 -1.005 4.367) 10.032 9.181 ( -0.191 -0.772 -5.878) 5.931 9.376 ( 5.270 -1.414 -5.024) 7.417 9.660 ( 2.859 -3.476 -0.615) 4.542 9.882 ( -7.165 -3.835 1.445) 8.254 10.217 ( 3.187 -5.588 7.101) 9.582 10.490 ( 5.118 7.829 10.729) 14.234 11.785 ( -12.808 -8.723 1.949) 15.618 12.157 ( 4.667 10.601 -1.104) 11.635 15.239 ( -2.880 -2.631 2.489) 4.628 15.680 ( 5.246 2.661 -0.171) 5.885 19.959 ( -2.543 -6.433 6.714) 9.640 20.207 ( 2.250 9.075 3.395) 9.947 21.631 ( -7.789 2.363 -5.269) 9.696 21.994 ( 8.428 -9.172 -4.946) 13.402 22.581 ( -6.744 -6.002 -10.930) 14.177 22.842 ( 0.803 -0.741 -0.226) 1.116 23.209 ( -5.995 7.833 11.149) 14.886 23.895 ( 19.404 0.014 0.809) 19.421 26.903 ( -10.696 -3.650 -0.569) 11.316 27.659 ( 1.599 10.745 -4.105) 11.613 ======================= Grid point 123 (44/186) ======================= q-point: (-0.30 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.591 ( -12.444 25.006 8.791) 29.282 2.999 ( -8.042 35.159 1.190) 36.087 3.932 ( 6.039 -17.428 3.817) 18.835 4.721 ( 4.062 -7.785 -13.994) 16.521 4.868 ( 1.398 -8.059 -3.798) 9.018 5.068 ( -10.765 27.171 7.446) 30.159 5.328 ( 2.300 -11.623 7.740) 14.153 5.620 ( -6.266 -1.453 -7.948) 10.225 6.139 ( -0.875 4.715 -2.029) 5.207 6.358 ( -0.876 -0.583 -2.473) 2.687 6.395 ( 2.811 -3.566 2.694) 5.280 6.502 ( -0.563 15.394 -12.174) 19.634 7.279 ( 4.550 -0.637 -13.977) 14.713 7.819 ( 6.346 -8.001 10.507) 14.652 8.431 ( 1.732 -8.531 3.163) 9.262 8.612 ( -5.890 3.703 3.647) 7.855 9.192 ( 0.161 -0.913 -5.674) 5.749 9.472 ( 5.094 -3.728 -3.052) 7.011 9.691 ( 2.484 3.329 2.258) 4.728 9.891 ( -6.532 -4.726 4.107) 9.048 10.364 ( 8.851 -4.678 5.293) 11.324 10.482 ( 2.530 -1.904 8.422) 8.998 11.747 ( -14.550 -2.616 2.373) 14.973 12.016 ( 2.067 9.192 -1.900) 9.611 15.251 ( -1.715 -1.420 2.116) 3.072 15.670 ( 4.641 4.181 -1.144) 6.351 19.986 ( 2.693 5.438 6.754) 9.079 20.121 ( -4.720 -2.987 4.751) 7.333 21.510 ( -3.907 4.434 -5.565) 8.117 22.168 ( 10.182 2.077 -9.135) 13.836 22.604 ( -8.007 -6.627 -7.082) 12.577 22.873 ( 2.301 -1.042 0.131) 2.529 23.063 ( -4.553 1.998 11.525) 12.552 24.094 ( 19.369 0.079 -1.268) 19.410 26.834 ( -13.757 -2.814 -0.755) 14.062 27.480 ( -3.540 8.879 -3.415) 10.150 ======================= Grid point 124 (45/186) ======================= q-point: (-0.20 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.996 ( -12.125 28.739 13.085) 33.826 2.303 ( -5.744 36.594 8.773) 38.067 3.892 ( -5.823 47.986 19.076) 51.966 4.495 ( -0.005 -14.459 -1.069) 14.499 4.814 ( -1.466 2.490 -9.461) 9.893 5.125 ( -1.118 -8.670 -8.305) 12.058 5.638 ( 4.255 -14.744 2.366) 15.527 5.735 ( 9.520 0.026 -12.574) 15.772 5.868 ( -3.201 5.566 -2.522) 6.898 6.249 ( -4.915 7.499 -20.042) 21.957 6.543 ( -2.226 -19.036 3.540) 19.490 6.618 ( 3.941 -10.224 5.800) 12.398 7.281 ( 1.825 3.889 -16.962) 17.497 7.880 ( -2.078 0.163 9.346) 9.576 8.426 ( -1.207 10.439 3.484) 11.071 8.648 ( 2.430 -7.667 8.070) 11.393 9.207 ( 0.174 0.135 -6.640) 6.644 9.610 ( 4.846 -0.491 5.246) 7.159 9.637 ( 2.398 -1.635 2.307) 3.707 9.912 ( -5.202 -4.707 2.853) 7.573 10.534 ( 12.040 -0.509 3.849) 12.650 10.574 ( -1.776 -8.478 7.196) 11.262 11.596 ( -11.360 3.732 2.509) 12.218 11.885 ( -1.965 6.230 -2.934) 7.161 15.254 ( -0.666 -0.354 1.280) 1.485 15.632 ( 3.533 5.031 -3.228) 6.943 19.885 ( 2.517 6.904 12.181) 14.226 20.175 ( -4.743 -7.115 2.860) 9.017 21.402 ( -0.665 5.512 -6.180) 8.308 22.101 ( 4.004 12.138 -9.888) 16.160 22.689 ( -3.361 -9.208 -1.923) 9.989 22.927 ( 4.527 -1.320 0.426) 4.735 23.038 ( -2.064 -2.007 7.222) 7.775 24.269 ( 15.875 1.023 -5.059) 16.693 26.732 ( -14.854 -2.615 -0.590) 15.094 27.282 ( -5.584 8.619 -2.711) 10.621 ======================= Grid point 125 (46/186) ======================= q-point: (-0.10 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( -0.000 29.652 18.990) 35.212 1.657 ( -0.000 33.126 22.605) 40.104 2.847 ( -0.000 61.247 29.545) 68.001 4.720 ( -0.000 4.806 -7.328) 8.764 4.742 ( -0.000 0.700 -6.239) 6.279 5.141 ( 0.000 -2.088 -15.322) 15.463 5.727 ( 0.000 -11.836 6.708) 13.605 5.949 ( 0.000 -14.199 0.408) 14.205 6.069 ( -0.000 6.505 -21.690) 22.644 6.102 ( 0.000 -14.604 -18.088) 23.247 6.800 ( 0.000 -7.615 4.810) 9.007 6.897 ( 0.000 -21.050 3.539) 21.345 7.202 ( -0.000 5.350 -16.835) 17.664 7.835 ( -0.000 2.902 10.640) 11.029 8.191 ( -0.000 15.332 4.379) 15.945 8.754 ( 0.000 -3.411 11.866) 12.347 9.170 ( -0.000 4.633 -5.541) 7.223 9.587 ( 0.000 -0.629 5.276) 5.313 9.804 ( 0.000 -8.347 6.135) 10.359 9.956 ( 0.000 -3.630 -0.078) 3.631 10.591 ( -0.000 1.032 7.687) 7.756 10.721 ( 0.000 -9.446 5.690) 11.028 11.433 ( -0.000 7.340 2.662) 7.808 11.772 ( -0.000 4.562 -5.366) 7.043 15.243 ( -0.000 1.776 -0.800) 1.948 15.559 ( -0.000 6.031 -6.391) 8.788 19.852 ( 0.000 -2.978 22.289) 22.487 20.263 ( 0.000 -6.311 0.679) 6.348 21.301 ( -0.000 5.957 -6.517) 8.830 21.902 ( -0.000 12.080 -8.289) 14.650 22.814 ( 0.000 -6.523 -0.998) 6.599 22.999 ( 0.000 -2.278 -0.647) 2.368 23.062 ( 0.000 -2.109 4.955) 5.385 24.327 ( -0.000 4.349 -11.678) 12.461 26.672 ( 0.000 -2.498 0.319) 2.518 27.090 ( -0.000 8.891 -1.664) 9.046 ======================= Grid point 128 (47/186) ======================= q-point: ( 0.20 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( 25.579 -0.000 21.800) 33.609 1.789 ( 27.714 -0.000 31.376) 41.863 3.334 ( 67.759 -0.000 16.586) 69.759 4.653 ( 9.274 -0.000 -4.504) 10.310 4.811 ( -7.992 0.000 -14.906) 16.913 5.188 ( -5.217 0.000 -14.145) 15.076 5.511 ( 2.854 -0.000 4.482) 5.313 5.889 ( -8.931 0.000 -5.524) 10.501 6.023 ( -13.824 0.000 -2.691) 14.083 6.224 ( -10.485 0.000 -9.084) 13.873 6.905 ( -7.365 0.000 -7.879) 10.785 6.928 ( 2.762 -0.000 -15.093) 15.343 7.144 ( -9.919 0.000 2.775) 10.300 7.986 ( 4.043 -0.000 8.209) 9.151 8.313 ( 19.907 -0.000 4.760) 20.468 8.612 ( -8.227 0.000 -0.661) 8.254 8.940 ( 0.698 -0.000 11.797) 11.817 9.245 ( -7.578 0.000 7.329) 10.543 9.810 ( -1.925 0.000 -4.337) 4.745 9.827 ( -7.711 0.000 6.207) 9.899 10.184 ( -7.664 0.000 4.848) 9.069 11.041 ( -2.015 0.000 -0.617) 2.107 11.595 ( 4.145 -0.000 3.849) 5.656 12.453 ( 7.315 -0.000 -8.792) 11.437 14.882 ( -2.989 0.000 2.863) 4.138 15.461 ( 6.967 -0.000 0.047) 6.967 19.644 ( -8.333 0.000 23.077) 24.535 20.622 ( -2.818 0.000 2.268) 3.617 21.270 ( 3.950 -0.000 -7.343) 8.338 21.501 ( 1.361 -0.000 -10.886) 10.970 21.874 ( -7.481 0.000 7.513) 10.603 22.953 ( -2.185 0.000 -1.825) 2.846 23.318 ( 11.855 -0.000 3.936) 12.491 24.081 ( 1.707 -0.000 -1.297) 2.144 26.782 ( -2.784 0.000 0.516) 2.831 28.579 ( 11.935 -0.000 -26.654) 29.204 ======================= Grid point 129 (48/186) ======================= q-point: ( 0.30 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.046 ( 23.022 -16.536 15.669) 32.388 2.257 ( 25.353 -19.933 22.849) 39.524 3.967 ( 42.658 1.505 8.582) 43.539 4.654 ( 11.396 3.642 -4.964) 12.953 4.822 ( -11.179 -9.694 -6.323) 16.091 5.134 ( 1.165 2.940 -8.774) 9.327 5.555 ( -10.745 9.669 4.044) 15.010 5.715 ( -1.303 2.804 1.626) 3.494 5.835 ( 7.793 2.542 -11.181) 13.864 6.213 ( -11.870 -6.807 -4.793) 14.498 6.740 ( 0.738 6.777 -13.908) 15.489 6.912 ( -12.184 6.865 -1.047) 14.024 7.104 ( -2.594 -5.879 -11.779) 13.418 8.050 ( 1.331 -4.636 9.152) 10.345 8.468 ( 14.459 4.425 3.799) 15.591 8.592 ( -4.713 -4.900 -1.984) 7.082 8.928 ( -2.500 0.782 10.700) 11.016 9.224 ( -5.297 -4.980 3.379) 8.018 9.623 ( -6.717 7.182 2.912) 10.256 9.880 ( -4.866 -3.909 -0.855) 6.300 10.118 ( -7.464 -1.627 4.097) 8.669 11.017 ( -1.773 0.066 -0.534) 1.853 11.565 ( 3.646 7.040 5.957) 9.916 12.491 ( 5.982 2.290 -3.184) 7.153 14.921 ( -4.522 -7.094 2.562) 8.794 15.547 ( 7.901 -0.920 -0.593) 7.976 19.583 ( -4.525 -1.333 17.969) 18.578 20.677 ( -0.258 -6.768 1.129) 6.866 21.144 ( 1.486 9.455 -5.356) 10.968 21.649 ( -0.401 -7.412 -8.597) 11.359 21.917 ( -6.950 -12.460 0.364) 14.272 22.917 ( -2.720 1.051 -1.469) 3.265 23.443 ( 13.714 0.536 3.745) 14.226 24.049 ( 1.461 5.400 -0.199) 5.598 26.770 ( -3.710 -2.257 0.853) 4.426 28.545 ( 9.455 13.275 -16.953) 23.517 ======================= Grid point 130 (49/186) ======================= q-point: ( 0.40 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.624 ( 20.009 -23.836 8.001) 32.133 2.897 ( 22.771 -23.794 15.337) 36.330 4.012 ( -4.909 5.719 1.380) 7.663 4.584 ( 2.716 19.959 1.223) 20.181 4.809 ( -14.333 0.094 -7.816) 16.326 5.238 ( 0.085 13.821 -9.518) 16.782 5.458 ( 20.699 -10.710 7.874) 24.600 5.504 ( 2.497 -3.864 0.468) 4.625 6.155 ( -6.006 -3.369 -3.441) 7.698 6.209 ( 16.275 -9.952 -2.174) 19.200 6.600 ( -10.660 8.379 -2.003) 13.706 6.712 ( 2.665 3.018 -16.180) 16.673 7.162 ( -1.432 -2.675 -12.967) 13.317 8.129 ( -1.407 -0.650 6.511) 6.693 8.393 ( -4.390 7.516 6.792) 11.041 8.643 ( 4.624 1.806 3.050) 5.826 8.937 ( -1.703 -6.720 2.628) 7.414 9.269 ( -7.069 -6.355 0.092) 9.506 9.483 ( -1.482 3.219 4.095) 5.416 9.840 ( -6.949 0.168 -1.238) 7.060 10.089 ( -6.087 -2.123 2.065) 6.769 10.998 ( 2.722 3.436 3.060) 5.346 11.475 ( -1.766 3.052 5.698) 6.701 12.499 ( 5.442 3.778 -0.675) 6.659 15.003 ( -4.914 -7.606 2.778) 9.472 15.644 ( 7.618 -0.951 -0.552) 7.697 19.603 ( -2.940 -5.111 13.650) 14.869 20.735 ( 6.481 7.005 -2.030) 9.757 21.120 ( -4.831 -11.342 -1.304) 12.397 21.709 ( -3.382 -2.784 -3.561) 5.645 22.098 ( -6.323 -14.506 -7.857) 17.667 22.870 ( -2.145 1.283 -1.023) 2.700 23.567 ( 12.865 1.605 3.932) 13.547 23.944 ( 3.033 8.177 1.235) 8.808 26.776 ( -5.144 -3.368 0.979) 6.226 28.374 ( 8.784 16.432 -10.541) 21.408 ======================= Grid point 131 (50/186) ======================= q-point: ( 0.50 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.238 ( 16.022 -24.892 1.799) 29.657 3.437 ( 23.002 -6.211 7.222) 24.896 3.903 ( -14.324 -6.206 5.392) 16.515 4.166 ( -1.548 18.192 7.335) 19.676 4.708 ( -11.746 -0.128 -10.714) 15.899 4.824 ( -10.207 19.346 -7.456) 23.110 5.494 ( -2.058 -3.979 -0.184) 4.484 5.950 ( -0.985 2.152 -2.915) 3.755 6.123 ( 0.769 -0.511 3.414) 3.536 6.451 ( 19.547 -11.761 2.075) 22.907 6.663 ( 12.542 -5.399 -8.248) 15.952 6.750 ( 9.069 -5.706 -11.341) 15.602 7.162 ( -0.608 1.697 -9.599) 9.767 7.856 ( -2.161 26.887 5.292) 27.488 8.307 ( -13.801 -6.360 7.648) 17.012 8.620 ( -2.019 1.568 4.426) 5.111 9.078 ( 2.163 -6.321 -3.628) 7.602 9.315 ( -3.224 -6.630 0.209) 7.376 9.472 ( 2.057 -0.866 1.229) 2.548 9.783 ( -6.892 -1.968 -1.332) 7.290 10.062 ( -4.635 -2.011 3.291) 6.029 10.922 ( 7.749 11.753 7.916) 16.151 11.455 ( -8.748 -6.820 3.587) 11.658 12.462 ( 4.209 6.306 -0.378) 7.591 15.080 ( -3.950 -6.438 3.083) 8.158 15.725 ( 6.544 0.011 -0.281) 6.550 19.688 ( -2.493 -7.513 10.952) 13.513 20.608 ( 5.556 12.765 -1.609) 14.015 21.369 ( -3.756 -19.255 -1.660) 19.688 21.701 ( -4.397 -1.907 -1.594) 5.051 22.268 ( -5.220 -11.818 -11.552) 17.331 22.836 ( -1.071 0.594 -0.668) 1.395 23.569 ( 3.103 9.334 6.029) 11.537 23.915 ( 12.405 2.268 1.266) 12.674 26.775 ( -6.922 -3.360 0.960) 7.754 28.165 ( 6.436 16.717 -7.178) 19.298 ======================= Grid point 132 (51/186) ======================= q-point: (-0.40 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.420 ( -2.649 18.961 3.893) 19.537 3.628 ( 9.564 1.204 4.585) 10.675 3.896 ( 9.275 -9.641 0.368) 13.384 4.202 ( -4.061 8.585 -3.810) 10.233 4.427 ( -0.085 -12.315 2.730) 12.614 4.736 ( -11.498 -10.739 -6.258) 16.932 5.477 ( -9.511 -0.602 0.652) 9.552 5.782 ( -8.555 6.876 -5.021) 12.069 6.127 ( 2.671 -3.517 0.223) 4.422 6.603 ( 2.281 5.413 -18.358) 19.275 6.848 ( 8.149 18.756 5.177) 21.095 7.046 ( 11.022 -7.870 -7.173) 15.326 7.275 ( 18.552 -12.762 7.965) 23.885 7.357 ( 0.218 19.160 -3.100) 19.410 8.245 ( -15.252 -3.978 6.616) 17.095 8.572 ( -6.804 -1.783 4.063) 8.123 9.158 ( 0.306 -2.069 -8.164) 8.428 9.416 ( 5.452 -2.057 0.399) 5.840 9.571 ( 1.745 -7.852 -2.779) 8.510 9.747 ( -7.582 -2.467 0.786) 8.012 10.105 ( -1.448 -6.782 6.670) 9.622 10.769 ( 7.948 14.219 10.294) 19.270 11.505 ( -10.693 -9.423 2.666) 14.500 12.366 ( 2.783 8.828 -0.917) 9.301 15.145 ( -2.580 -4.828 3.105) 6.294 15.771 ( 4.852 1.531 -0.252) 5.094 19.801 ( -2.104 -7.982 9.003) 12.215 20.433 ( 3.273 12.493 0.483) 12.923 21.551 ( -5.912 -4.090 -4.791) 8.639 21.811 ( 1.626 -15.491 0.345) 15.580 22.395 ( -4.325 -8.242 -14.360) 17.113 22.830 ( -0.241 -0.599 -0.429) 0.775 23.367 ( -1.109 13.157 9.685) 16.375 24.062 ( 14.640 -1.562 0.288) 14.726 26.747 ( -8.361 -2.311 0.877) 8.719 27.930 ( 3.306 16.017 -5.274) 17.184 ======================= Grid point 133 (52/186) ======================= q-point: (-0.30 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.970 ( -3.591 26.516 8.268) 28.006 3.538 ( -3.279 31.868 -2.421) 32.128 3.747 ( 4.343 -6.274 4.470) 8.844 4.466 ( 3.251 -23.301 -7.235) 24.614 4.719 ( 2.350 -10.769 -12.325) 16.535 4.976 ( -0.275 -23.018 10.955) 25.493 5.340 ( -10.237 7.085 3.138) 12.839 5.587 ( -5.937 5.737 -7.286) 11.011 6.275 ( 4.181 -7.627 1.208) 8.781 6.380 ( 0.252 26.619 9.507) 28.267 6.493 ( -0.177 9.316 -16.332) 18.803 6.900 ( 1.227 24.283 -8.050) 25.612 7.275 ( 3.313 -4.865 -11.233) 12.681 7.773 ( 13.967 -9.142 11.905) 20.503 8.231 ( -7.528 -12.141 4.762) 15.059 8.552 ( -5.185 -2.629 3.234) 6.652 9.176 ( -0.199 -0.488 -9.894) 9.908 9.490 ( 5.276 -0.128 -4.078) 6.670 9.679 ( -3.107 -4.964 0.329) 5.865 9.768 ( -1.607 -4.549 4.062) 6.307 10.244 ( 0.077 -9.184 8.131) 12.266 10.633 ( 6.368 8.780 9.597) 14.482 11.543 ( -8.631 -6.045 2.620) 10.858 12.218 ( 1.425 10.510 -1.568) 10.722 15.195 ( -1.200 -3.184 2.811) 4.413 15.770 ( 2.689 2.927 -0.711) 4.038 19.916 ( -1.265 -7.312 7.110) 10.277 20.244 ( 1.094 11.798 3.263) 12.290 21.516 ( -3.095 0.957 -5.023) 5.977 22.136 ( 4.811 -16.156 -1.499) 16.923 22.446 ( -5.038 -2.188 -16.716) 17.595 22.852 ( 0.216 -1.945 -0.226) 1.970 23.140 ( -1.326 10.267 13.750) 17.211 24.231 ( 10.612 -2.581 -1.403) 11.011 26.689 ( -7.501 -0.612 0.879) 7.577 27.684 ( 0.680 14.499 -4.011) 15.059 ======================= Grid point 134 (53/186) ======================= q-point: (-0.20 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.459 ( -0.000 29.746 11.107) 31.751 2.914 ( -0.000 36.632 1.755) 36.674 4.002 ( 0.000 -18.102 2.369) 18.256 4.780 ( 0.000 -9.039 -8.908) 12.691 4.806 ( -0.000 27.773 6.233) 28.464 4.980 ( -0.000 0.672 -5.238) 5.281 5.357 ( 0.000 -17.780 9.055) 19.953 5.574 ( 0.000 -10.330 -10.491) 14.723 6.122 ( -0.000 8.136 -5.323) 9.723 6.326 ( -0.000 5.959 -2.992) 6.668 6.460 ( 0.000 -9.996 3.479) 10.584 6.493 ( -0.000 19.189 -10.983) 22.110 7.333 ( -0.000 0.258 -14.525) 14.527 7.876 ( 0.000 -0.293 10.427) 10.431 8.474 ( 0.000 -14.097 6.255) 15.422 8.533 ( -0.000 2.644 2.841) 3.881 9.189 ( 0.000 -1.371 -9.903) 9.997 9.544 ( 0.000 -3.912 -0.784) 3.990 9.713 ( -0.000 1.718 0.861) 1.922 9.805 ( 0.000 -3.277 6.406) 7.195 10.405 ( 0.000 -9.243 8.156) 12.327 10.598 ( -0.000 0.581 6.152) 6.180 11.552 ( 0.000 -0.921 2.727) 2.878 12.041 ( -0.000 10.492 -2.118) 10.703 15.231 ( 0.000 -1.759 2.242) 2.850 15.725 ( -0.000 3.865 -1.778) 4.255 20.032 ( 0.000 -6.871 4.979) 8.485 20.053 ( -0.000 10.506 7.027) 12.639 21.468 ( -0.000 2.973 -5.784) 6.504 22.330 ( -0.000 9.690 -15.792) 18.528 22.453 ( 0.000 -14.717 -0.672) 14.733 22.898 ( 0.000 -3.023 -0.111) 3.025 23.025 ( -0.000 2.267 12.385) 12.590 24.336 ( 0.000 -2.204 -3.719) 4.323 26.643 ( -0.000 0.295 0.897) 0.944 27.452 ( -0.000 12.434 -3.047) 12.802 ======================= Grid point 139 (54/186) ======================= q-point: ( 0.30 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.071 ( 14.699 -0.000 17.649) 22.968 2.358 ( 27.299 -0.000 23.989) 36.341 4.447 ( 19.679 -0.000 -6.644) 20.771 4.518 ( -13.807 0.000 -4.518) 14.528 4.897 ( 32.674 -0.000 8.741) 33.823 5.233 ( 12.800 -0.000 -8.389) 15.304 5.516 ( -12.609 0.000 2.923) 12.944 5.724 ( -9.439 0.000 -2.226) 9.698 5.975 ( 16.566 -0.000 -8.757) 18.738 6.003 ( -10.223 0.000 -1.813) 10.383 6.756 ( -8.180 0.000 -10.455) 13.274 6.909 ( -11.685 0.000 -3.016) 12.068 6.977 ( 1.975 -0.000 -14.029) 14.167 8.015 ( -2.849 0.000 8.644) 9.102 8.420 ( -10.344 0.000 -6.215) 12.067 8.692 ( 16.563 -0.000 1.770) 16.657 8.963 ( 1.728 -0.000 13.997) 14.103 9.113 ( -6.469 0.000 0.788) 6.517 9.653 ( -8.040 0.000 6.556) 10.375 9.754 ( -3.560 0.000 -4.162) 5.477 10.028 ( -7.635 0.000 5.938) 9.672 10.969 ( -4.619 0.000 -2.705) 5.353 11.694 ( 5.089 -0.000 8.644) 10.031 12.545 ( 2.790 -0.000 -1.467) 3.153 14.826 ( -2.450 0.000 3.351) 4.151 15.621 ( 7.974 -0.000 -1.097) 8.049 19.531 ( -3.681 0.000 17.838) 18.213 20.569 ( -2.313 0.000 2.142) 3.153 21.347 ( 3.461 -0.000 -8.162) 8.865 21.524 ( 1.075 -0.000 -11.247) 11.298 21.762 ( -4.249 0.000 2.558) 4.959 22.896 ( -3.028 0.000 -1.333) 3.308 23.586 ( 13.487 -0.000 3.298) 13.884 24.113 ( 1.468 -0.000 -0.186) 1.480 26.714 ( -3.763 0.000 1.565) 4.076 28.717 ( 3.518 -0.000 -14.933) 15.341 ======================= Grid point 140 (55/186) ======================= q-point: ( 0.40 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.376 ( 7.795 -20.822 13.245) 25.880 2.748 ( 22.612 -14.623 21.745) 34.612 4.224 ( 0.583 15.096 -1.605) 15.192 4.540 ( -13.238 -3.859 -9.041) 16.489 5.076 ( -2.951 22.491 3.471) 22.948 5.347 ( 9.793 -4.600 -1.564) 10.932 5.499 ( 3.423 7.169 -5.226) 9.509 5.627 ( 24.407 -6.205 2.170) 25.277 5.992 ( -5.481 -5.268 0.870) 7.652 6.238 ( 21.133 -8.339 -4.922) 23.246 6.608 ( -14.606 6.889 -0.795) 16.169 6.767 ( -0.104 1.808 -16.968) 17.064 7.065 ( -1.332 -5.743 -12.973) 14.249 7.969 ( -11.317 -3.710 7.529) 14.090 8.399 ( -8.518 -5.814 -6.514) 12.198 8.784 ( 9.126 6.303 4.828) 12.096 8.916 ( 2.175 3.927 9.223) 10.257 9.108 ( -5.340 -4.691 0.665) 7.139 9.526 ( -1.700 3.769 5.961) 7.255 9.770 ( -5.649 -2.288 -2.729) 6.678 9.968 ( -7.165 -2.391 4.424) 8.754 10.954 ( -3.858 -3.555 -1.559) 5.473 11.647 ( 3.858 10.000 9.742) 14.484 12.570 ( 2.457 0.275 0.275) 2.488 14.850 ( -2.527 -5.075 3.477) 6.651 15.703 ( 6.907 -0.729 -1.133) 7.037 19.515 ( -2.399 -2.035 15.532) 15.848 20.656 ( -1.325 -11.420 1.722) 11.625 21.183 ( 1.912 13.871 -6.989) 15.649 21.646 ( 0.084 -3.540 -5.151) 6.251 21.816 ( -3.526 -11.672 -5.655) 13.441 22.862 ( -2.449 0.532 -1.072) 2.726 23.711 ( 11.625 0.657 3.123) 12.055 24.085 ( 1.990 4.634 0.579) 5.077 26.688 ( -4.065 -1.425 1.938) 4.724 28.661 ( 3.124 9.251 -11.301) 14.934 ======================= Grid point 141 (56/186) ======================= q-point: ( 0.50 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.881 ( 3.578 -29.124 6.797) 30.120 3.284 ( 15.639 -23.984 18.859) 34.285 3.993 ( 7.554 16.283 3.460) 18.280 4.447 ( -11.801 2.669 -7.253) 14.107 4.590 ( -10.371 18.119 2.963) 21.087 5.143 ( -6.492 21.135 -11.073) 24.727 5.489 ( 8.817 -0.317 -1.708) 8.986 5.889 ( -8.372 -0.862 -3.033) 8.946 6.188 ( 2.445 1.802 1.843) 3.553 6.453 ( 20.940 -9.099 2.022) 22.921 6.646 ( 20.461 -12.400 -1.839) 23.996 6.782 ( 2.870 -0.410 -17.419) 17.659 7.131 ( -1.455 -3.604 -12.563) 13.151 7.920 ( -20.952 -9.048 6.599) 23.757 8.277 ( -4.693 15.306 1.411) 16.071 8.702 ( 1.742 5.609 3.936) 7.070 8.972 ( 1.846 -6.442 4.498) 8.071 9.149 ( -2.833 -5.701 -1.129) 6.466 9.512 ( 3.615 0.332 5.774) 6.821 9.714 ( -5.162 0.588 -2.470) 5.753 9.953 ( -6.703 -3.297 1.485) 7.616 11.018 ( -0.338 -5.924 1.195) 6.053 11.460 ( 0.067 12.886 9.831) 16.208 12.571 ( 2.061 2.654 0.563) 3.407 14.931 ( -2.295 -6.714 3.635) 7.972 15.779 ( 5.099 -0.730 -0.813) 5.214 19.557 ( -1.612 -5.082 13.157) 14.196 20.849 ( 4.826 0.822 -2.174) 5.356 21.026 ( -4.339 -6.099 -1.903) 7.723 21.652 ( -2.116 0.032 -0.716) 2.234 22.017 ( -2.178 -13.101 -12.054) 17.935 22.833 ( -1.350 0.448 -0.826) 1.644 23.751 ( 4.901 6.413 4.095) 9.051 24.049 ( 6.359 2.216 0.999) 6.808 26.674 ( -4.323 -1.738 2.027) 5.082 28.486 ( 3.010 14.165 -8.523) 16.803 ======================= Grid point 142 (57/186) ======================= q-point: ( 0.60 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.391 ( -0.734 -24.337 0.887) 24.364 3.784 ( 6.116 -2.052 12.008) 13.631 3.858 ( 13.179 -0.107 9.532) 16.265 4.109 ( -4.568 6.155 8.110) 11.159 4.464 ( -10.099 -4.324 -10.374) 15.110 4.679 ( -3.805 24.478 -10.668) 26.971 5.488 ( 1.411 8.019 -0.483) 8.156 5.769 ( -8.086 1.059 -3.595) 8.912 6.103 ( -1.810 -0.744 -2.364) 3.069 6.711 ( 3.380 3.418 -18.845) 19.448 6.938 ( 7.040 -12.157 -6.154) 15.337 7.088 ( 9.143 -0.328 -7.335) 11.726 7.245 ( 24.150 -13.544 6.154) 28.364 7.801 ( -9.026 16.215 4.071) 19.000 7.891 ( -20.009 0.839 8.154) 21.623 8.602 ( -0.176 7.034 3.945) 8.067 9.097 ( -0.091 -5.573 -3.822) 6.758 9.296 ( 0.470 -12.433 1.366) 12.517 9.552 ( 4.686 -0.189 2.208) 5.183 9.663 ( -4.790 0.427 -3.110) 5.727 9.968 ( -3.429 -5.712 3.863) 7.701 11.087 ( 8.487 8.672 7.735) 14.389 11.271 ( -9.156 -2.199 5.169) 10.742 12.514 ( 1.175 5.890 -0.148) 6.007 15.027 ( -1.305 -6.328 3.638) 7.415 15.824 ( 2.719 0.193 -0.489) 2.769 19.652 ( -0.945 -7.229 11.189) 13.354 20.690 ( 2.280 13.849 -2.593) 14.273 21.301 ( -2.210 -19.619 -1.449) 19.796 21.642 ( -1.476 -2.799 0.694) 3.240 22.206 ( -1.322 -10.664 -14.393) 17.962 22.821 ( -0.417 -0.060 -0.648) 0.773 23.597 ( 0.487 12.860 6.715) 14.516 24.131 ( 6.523 -2.482 0.423) 6.992 26.659 ( -3.532 -1.150 1.904) 4.174 28.243 ( 1.730 16.511 -6.630) 17.876 ======================= Grid point 143 (58/186) ======================= q-point: (-0.30 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.372 ( -0.000 19.882 6.364) 20.876 3.730 ( -0.000 6.831 5.983) 9.080 4.047 ( 0.000 -24.815 -0.160) 24.816 4.114 ( -0.000 29.941 -6.102) 30.556 4.498 ( 0.000 -28.926 13.929) 32.105 4.571 ( 0.000 -7.602 -14.642) 16.498 5.358 ( -0.000 4.351 0.105) 4.352 5.674 ( -0.000 6.174 -4.948) 7.912 6.169 ( 0.000 -6.193 -1.274) 6.323 6.624 ( -0.000 7.324 -19.286) 20.629 6.902 ( -0.000 23.675 3.447) 23.925 7.167 ( 0.000 -9.546 -8.400) 12.716 7.320 ( -0.000 25.164 -4.489) 25.561 7.771 ( 0.000 -7.832 13.628) 15.718 7.846 ( 0.000 -19.075 4.977) 19.714 8.508 ( -0.000 2.004 3.858) 4.347 9.161 ( 0.000 -1.871 -9.294) 9.480 9.513 ( 0.000 -10.253 3.522) 10.841 9.570 ( -0.000 3.685 -7.295) 8.173 9.655 ( 0.000 -6.454 2.917) 7.083 10.085 ( 0.000 -8.778 7.100) 11.290 10.876 ( -0.000 15.042 11.065) 18.673 11.368 ( 0.000 -9.150 2.455) 9.474 12.393 ( -0.000 8.699 -1.024) 8.759 15.118 ( 0.000 -4.916 3.345) 5.946 15.823 ( -0.000 1.597 -0.430) 1.654 19.779 ( 0.000 -7.760 9.263) 12.084 20.468 ( -0.000 13.076 0.145) 13.077 21.487 ( 0.000 -3.356 -4.408) 5.540 21.827 ( 0.000 -18.621 1.783) 18.706 22.352 ( 0.000 -6.893 -16.698) 18.065 22.827 ( 0.000 -0.925 -0.462) 1.034 23.357 ( -0.000 14.291 10.400) 17.675 24.225 ( 0.000 -3.691 -0.522) 3.727 26.650 ( 0.000 -0.263 1.595) 1.617 27.962 ( -0.000 16.640 -5.193) 17.432 ======================= Grid point 150 (59/186) ======================= q-point: ( 0.40 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.206 ( -0.143 0.000 17.250) 17.251 2.845 ( 19.427 -0.000 22.939) 30.060 4.356 ( -10.797 0.000 -13.122) 16.993 4.412 ( 3.986 -0.000 3.342) 5.202 5.164 ( -18.933 0.000 4.393) 19.436 5.434 ( 11.717 -0.000 -4.762) 12.648 5.576 ( -5.010 0.000 -11.217) 12.285 5.769 ( 10.856 -0.000 3.998) 11.569 6.034 ( 28.084 -0.000 7.516) 29.072 6.366 ( 17.523 -0.000 -4.782) 18.164 6.552 ( -5.193 0.000 -3.294) 6.149 6.763 ( -2.577 0.000 -14.800) 15.023 7.003 ( 0.472 -0.000 -13.346) 13.354 7.791 ( -20.717 0.000 6.552) 21.728 8.213 ( -9.132 0.000 -9.645) 13.283 8.922 ( 4.620 -0.000 10.912) 11.849 8.982 ( -5.465 0.000 -1.614) 5.699 9.045 ( 7.141 -0.000 5.025) 8.731 9.558 ( -1.163 0.000 9.984) 10.052 9.678 ( -3.418 0.000 -5.443) 6.428 9.883 ( -6.278 0.000 4.985) 8.016 10.876 ( -3.992 0.000 -2.318) 4.616 11.782 ( 3.242 -0.000 10.944) 11.414 12.584 ( 1.261 -0.000 1.294) 1.807 14.788 ( -1.243 0.000 3.712) 3.915 15.758 ( 5.080 -0.000 -1.420) 5.274 19.479 ( -1.618 0.000 15.832) 15.915 20.532 ( -1.294 0.000 2.031) 2.408 21.404 ( 2.019 -0.000 -8.727) 8.958 21.547 ( 1.128 -0.000 -11.244) 11.300 21.691 ( -2.746 0.000 0.588) 2.808 22.843 ( -1.969 0.000 -0.971) 2.195 23.823 ( 8.982 -0.000 2.639) 9.362 24.138 ( 0.886 -0.000 0.527) 1.030 26.641 ( -2.976 0.000 2.531) 3.907 28.759 ( 1.023 -0.000 -10.411) 10.462 ======================= Grid point 151 (60/186) ======================= q-point: ( 0.50 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.403 ( -1.784 -22.740 14.721) 27.147 3.112 ( 11.102 -12.377 22.712) 28.148 4.268 ( -4.074 0.479 -12.314) 12.980 4.392 ( 7.114 8.721 4.215) 12.018 4.812 ( -14.803 17.638 5.658) 23.711 5.402 ( -2.600 13.995 -12.073) 18.664 5.546 ( 4.034 -3.742 -5.456) 7.749 5.876 ( 8.898 0.293 1.843) 9.092 6.160 ( -12.770 2.416 1.996) 13.148 6.548 ( 14.142 -4.778 -3.847) 15.415 6.726 ( 20.117 -7.432 -5.308) 22.093 6.776 ( 12.701 -1.135 -9.307) 15.787 7.048 ( 0.184 -3.976 -12.051) 12.691 7.551 ( -29.021 -3.025 5.525) 29.697 8.247 ( -5.023 -8.992 -9.821) 14.232 8.858 ( 0.955 9.207 12.329) 15.417 8.942 ( -0.990 0.014 2.183) 2.397 9.102 ( 3.046 0.102 1.470) 3.384 9.550 ( 2.851 0.248 8.726) 9.184 9.666 ( -4.119 -0.899 -3.103) 5.235 9.848 ( -3.831 -2.056 1.577) 4.625 10.888 ( -1.984 -5.125 -0.962) 5.579 11.704 ( 1.554 11.083 11.197) 15.831 12.601 ( 0.740 -0.312 1.631) 1.818 14.817 ( -0.792 -4.282 3.838) 5.804 15.805 ( 2.699 -0.744 -1.291) 3.083 19.483 ( -0.790 -2.099 14.716) 14.886 20.635 ( -0.579 -12.555 1.844) 12.703 21.211 ( 0.760 15.036 -7.799) 16.955 21.649 ( 0.120 0.329 -0.506) 0.615 21.768 ( -1.195 -13.569 -11.211) 17.641 22.826 ( -0.947 0.155 -0.843) 1.277 23.875 ( 4.101 2.530 2.788) 5.567 24.123 ( 1.430 1.926 0.843) 2.543 26.623 ( -1.885 -0.663 2.712) 3.368 28.697 ( 0.739 7.798 -9.098) 12.005 ======================= Grid point 152 (61/186) ======================= q-point: (-0.40 -0.60 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.879 ( 0.000 -31.029 8.666) 32.217 3.472 ( 0.000 -21.880 20.663) 30.095 4.234 ( -0.000 8.373 -6.575) 10.646 4.238 ( -0.000 14.609 6.888) 16.151 4.403 ( -0.000 10.357 -0.776) 10.386 5.070 ( -0.000 21.766 -11.856) 24.785 5.660 ( 0.000 -5.564 -3.749) 6.709 5.766 ( -0.000 17.117 -0.298) 17.120 6.052 ( 0.000 -2.746 -1.853) 3.312 6.770 ( 0.000 -10.848 -5.074) 11.976 6.772 ( -0.000 0.611 -19.404) 19.413 7.088 ( 0.000 -4.419 -13.813) 14.503 7.274 ( 0.000 -15.566 11.732) 19.492 7.377 ( 0.000 -6.781 4.410) 8.089 8.227 ( -0.000 13.388 -2.086) 13.549 8.722 ( -0.000 5.981 5.433) 8.080 8.976 ( 0.000 -5.799 4.380) 7.268 9.141 ( 0.000 -4.569 0.160) 4.572 9.574 ( 0.000 -0.110 8.056) 8.057 9.650 ( 0.000 -0.227 -4.006) 4.013 9.869 ( 0.000 -3.095 -0.138) 3.098 11.010 ( 0.000 -9.568 0.924) 9.612 11.464 ( -0.000 16.628 11.082) 19.983 12.591 ( -0.000 2.365 0.963) 2.553 14.908 ( 0.000 -6.382 3.884) 7.471 15.833 ( 0.000 -0.737 -0.894) 1.158 19.540 ( 0.000 -4.998 13.064) 13.987 20.926 ( 0.000 -20.325 1.013) 20.350 20.953 ( -0.000 14.951 -5.485) 15.925 21.629 ( -0.000 1.033 0.318) 1.081 21.996 ( 0.000 -12.807 -13.430) 18.557 22.819 ( -0.000 0.124 -0.757) 0.767 23.794 ( -0.000 8.898 4.257) 9.864 24.127 ( 0.000 -1.093 0.733) 1.316 26.626 ( 0.000 -0.848 2.501) 2.640 28.515 ( -0.000 13.476 -7.872) 15.607 ======================= Grid point 163 (62/186) ======================= q-point: (-0.50 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.179 ( 0.000 -0.000 18.191) 18.191 3.063 ( -0.000 0.000 24.573) 24.573 4.222 ( 0.000 -0.000 -14.363) 14.363 4.542 ( -0.000 0.000 6.387) 6.387 4.892 ( 0.000 -0.000 4.181) 4.181 5.515 ( 0.000 -0.000 -5.803) 5.803 5.524 ( 0.000 -0.000 -12.997) 12.997 5.970 ( -0.000 0.000 1.625) 1.625 6.075 ( -0.000 0.000 6.719) 6.719 6.567 ( -0.000 0.000 -4.446) 4.446 6.697 ( -0.000 0.000 -19.183) 19.183 7.002 ( 0.000 -0.000 -13.129) 13.129 7.020 ( -0.000 0.000 5.801) 5.801 7.289 ( 0.000 -0.000 3.400) 3.400 8.107 ( 0.000 -0.000 -10.829) 10.829 8.925 ( 0.000 -0.000 -1.376) 1.376 8.957 ( 0.000 -0.000 15.999) 15.999 9.138 ( 0.000 -0.000 0.353) 0.353 9.562 ( 0.000 -0.000 12.423) 12.423 9.638 ( 0.000 -0.000 -6.565) 6.565 9.808 ( 0.000 -0.000 3.187) 3.187 10.832 ( 0.000 -0.000 -1.789) 1.789 11.816 ( 0.000 -0.000 11.613) 11.613 12.597 ( 0.000 -0.000 2.018) 2.018 14.775 ( 0.000 -0.000 3.842) 3.842 15.811 ( 0.000 -0.000 -1.485) 1.485 19.462 ( 0.000 -0.000 15.334) 15.334 20.518 ( 0.000 -0.000 1.988) 1.988 21.425 ( 0.000 -0.000 -8.930) 8.930 21.561 ( 0.000 -0.000 -11.711) 11.711 21.660 ( -0.000 0.000 0.520) 0.520 22.822 ( 0.000 -0.000 -0.828) 0.828 23.918 ( 0.000 -0.000 2.333) 2.333 24.147 ( 0.000 -0.000 0.782) 0.782 26.609 ( 0.000 -0.000 2.944) 2.944 28.768 ( 0.000 -0.000 -9.212) 9.212 ======================= Grid point 210 (63/186) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 186 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.414 ( 0.000 0.000 35.066) 35.066 1.631 ( 0.000 0.000 39.200) 39.200 2.874 ( 0.000 0.000 66.334) 66.334 4.314 ( 0.000 0.000 -7.606) 7.606 4.420 ( 0.000 0.000 -13.467) 13.467 4.982 ( 0.000 0.000 -19.008) 19.008 5.218 ( 0.000 0.000 -32.035) 32.035 5.980 ( 0.000 0.000 -25.542) 25.542 6.095 ( 0.000 0.000 -17.096) 17.096 6.522 ( 0.000 0.000 -5.723) 5.723 6.544 ( 0.000 0.000 8.328) 8.328 7.148 ( 0.000 0.000 -1.534) 1.534 7.416 ( 0.000 0.000 2.844) 2.844 7.954 ( 0.000 0.000 8.311) 8.311 7.976 ( 0.000 0.000 9.523) 9.523 8.925 ( 0.000 0.000 -1.448) 1.448 9.151 ( 0.000 0.000 18.379) 18.379 9.673 ( 0.000 0.000 -9.592) 9.592 9.854 ( 0.000 0.000 -3.592) 3.592 10.148 ( 0.000 0.000 8.214) 8.214 10.965 ( 0.000 0.000 2.900) 2.900 11.181 ( 0.000 0.000 8.868) 8.868 11.185 ( 0.000 0.000 3.920) 3.920 11.413 ( 0.000 0.000 -6.476) 6.476 15.018 ( 0.000 0.000 3.556) 3.556 15.379 ( 0.000 0.000 -1.776) 1.776 20.361 ( 0.000 0.000 -1.987) 1.987 20.769 ( 0.000 0.000 4.429) 4.429 21.000 ( 0.000 0.000 -10.177) 10.177 21.374 ( 0.000 0.000 -2.657) 2.657 22.913 ( 0.000 0.000 -0.843) 0.843 22.997 ( 0.000 0.000 -2.536) 2.536 23.194 ( 0.000 0.000 4.397) 4.397 23.838 ( 0.000 0.000 -3.183) 3.183 26.802 ( 0.000 0.000 -0.877) 0.877 26.821 ( 0.000 0.000 -0.992) 0.992 ======================= Grid point 211 (64/186) ======================= q-point: ( 0.10 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( 20.443 -11.491 29.762) 37.891 1.944 ( 7.755 -22.631 35.060) 42.444 3.049 ( 9.987 -19.597 59.441) 63.379 4.380 ( -3.476 -4.439 -10.634) 12.036 4.510 ( 8.057 -8.234 -12.839) 17.250 4.898 ( 0.253 4.900 -17.070) 17.761 5.303 ( -2.769 -7.404 -28.707) 29.775 5.853 ( 0.628 10.961 -24.798) 27.120 6.095 ( -3.933 1.647 -7.512) 8.638 6.309 ( -3.991 19.143 8.147) 21.184 6.558 ( -2.692 -4.401 -12.196) 13.242 7.078 ( -4.114 4.808 -1.905) 6.608 7.258 ( -1.749 15.405 0.125) 15.504 8.005 ( 5.764 -0.962 6.549) 8.777 8.118 ( 2.802 -12.450 10.691) 16.648 8.970 ( -5.696 -5.641 -0.114) 8.017 9.128 ( 1.511 2.343 14.317) 14.586 9.624 ( -1.367 3.630 -4.031) 5.594 9.833 ( -7.814 -1.582 -4.261) 9.040 10.096 ( 0.889 5.169 6.226) 8.141 10.697 ( -21.450 2.103 9.792) 23.673 11.072 ( 3.041 9.160 7.453) 12.194 11.411 ( 6.817 -3.917 -0.309) 7.868 11.622 ( 21.436 -7.488 -5.307) 23.318 15.102 ( -1.123 -8.541 0.973) 8.670 15.392 ( -0.184 -1.824 -1.727) 2.519 20.294 ( -7.335 4.413 4.390) 9.620 20.562 ( 4.865 15.805 10.135) 19.396 21.037 ( -0.205 -4.057 -10.002) 10.795 21.514 ( -1.521 -11.701 -7.701) 14.090 22.830 ( -18.888 -0.395 1.030) 18.920 22.914 ( -4.071 -0.287 -0.373) 4.098 23.199 ( 2.298 0.492 5.200) 5.707 23.949 ( 0.888 -6.160 -6.651) 9.109 26.801 ( 6.734 2.143 -1.738) 7.277 27.010 ( 22.523 -2.726 -6.655) 23.643 ======================= Grid point 212 (65/186) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.132 ( 22.601 -16.429 21.705) 35.381 2.367 ( 8.131 -18.992 34.119) 39.886 3.765 ( 19.499 -38.252 36.841) 56.575 4.377 ( -5.900 -1.221 -14.482) 15.686 4.648 ( 5.459 2.600 -14.121) 15.361 5.033 ( 8.970 -14.600 -6.706) 18.401 5.300 ( -9.331 3.676 -20.567) 22.881 5.709 ( 1.488 4.281 -13.898) 14.618 5.903 ( -4.503 12.404 -1.804) 13.319 6.007 ( -0.747 9.299 -0.194) 9.331 6.607 ( -7.496 -5.222 -15.330) 17.846 6.897 ( -3.204 15.399 -3.406) 16.094 6.960 ( -1.643 10.466 -4.834) 11.645 8.078 ( 7.729 0.671 6.109) 9.875 8.369 ( 2.741 -11.921 7.534) 14.366 8.912 ( -7.895 4.149 8.282) 12.171 9.139 ( 0.829 -0.869 1.793) 2.158 9.568 ( -4.490 -0.553 -0.657) 4.571 9.720 ( -7.988 4.248 0.706) 9.075 10.040 ( 2.626 3.296 -0.177) 4.218 10.503 ( -16.283 -0.408 10.151) 19.193 10.948 ( 3.909 8.708 9.493) 13.462 11.546 ( 1.116 -7.953 -0.621) 8.055 11.909 ( 20.408 -0.502 -2.777) 20.603 15.226 ( -1.679 -6.488 0.556) 6.725 15.444 ( -0.270 -4.390 -1.799) 4.751 20.129 ( -6.659 3.106 15.201) 16.884 20.436 ( 7.374 8.378 4.711) 12.115 21.135 ( 0.409 -7.052 -9.331) 11.703 21.678 ( -3.209 -9.815 -10.508) 14.732 22.684 ( -16.696 -3.654 0.448) 17.097 22.880 ( -1.114 1.467 -0.987) 2.090 23.227 ( 4.827 0.335 6.765) 8.317 23.987 ( -6.470 -1.960 -4.586) 8.169 26.849 ( 5.013 -0.608 -1.716) 5.333 27.264 ( 24.435 2.122 -9.952) 26.470 ======================= Grid point 213 (66/186) ======================= q-point: ( 0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.630 ( 19.711 -15.698 14.438) 29.041 2.822 ( 10.885 -22.155 23.283) 33.933 4.184 ( -2.441 6.449 2.846) 7.460 4.367 ( -5.801 1.085 -16.840) 17.844 4.913 ( 11.985 -25.306 10.725) 29.985 5.033 ( -1.331 12.719 -5.668) 13.989 5.299 ( -0.942 -8.161 -0.200) 8.218 5.687 ( 5.630 1.821 1.477) 6.099 5.893 ( 0.977 -8.661 -1.605) 8.862 5.944 ( 7.749 -4.359 -23.104) 24.756 6.503 ( -9.550 7.950 -4.071) 13.076 6.589 ( -3.528 11.840 -1.403) 12.434 6.875 ( -0.057 0.458 -18.351) 18.356 8.115 ( 4.506 4.066 9.530) 11.298 8.559 ( 1.246 -4.603 3.601) 5.976 8.706 ( -4.887 7.492 6.295) 10.938 9.140 ( -1.171 0.515 -2.554) 2.857 9.453 ( -7.803 6.509 -3.060) 10.612 9.654 ( -4.055 -3.135 3.848) 6.409 10.004 ( 0.189 3.102 -3.753) 4.873 10.376 ( -11.835 -2.244 11.863) 16.907 10.850 ( 5.050 8.157 11.873) 15.265 11.710 ( -1.621 -11.039 -0.573) 11.172 12.056 ( 15.338 4.154 -0.792) 15.910 15.293 ( -1.007 -3.243 2.155) 4.022 15.525 ( -0.303 -4.844 -1.220) 5.004 20.080 ( -3.467 -2.716 14.431) 15.088 20.376 ( 5.572 6.608 4.576) 9.780 21.286 ( 2.955 -8.253 -8.852) 12.458 21.778 ( -5.719 -6.519 -11.918) 14.739 22.601 ( -10.040 -1.971 -1.947) 10.415 22.844 ( -1.105 1.243 -1.214) 2.059 23.292 ( 7.784 -0.602 8.073) 11.231 23.910 ( -9.365 1.043 -1.060) 9.483 26.916 ( 3.571 -1.814 -1.477) 4.269 27.425 ( 17.061 3.388 -8.908) 19.542 ======================= Grid point 214 (67/186) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.061 ( 15.700 -13.484 8.158) 22.246 3.321 ( 10.088 -22.211 11.947) 27.164 3.897 ( -7.943 16.516 4.509) 18.873 4.195 ( -7.152 10.387 -13.774) 18.675 4.829 ( 2.942 6.030 -1.740) 6.932 5.066 ( -15.456 -0.154 -2.440) 15.648 5.582 ( 6.770 -10.915 6.338) 14.323 5.860 ( 13.008 1.415 -6.859) 14.774 6.026 ( 10.815 -5.817 -15.684) 19.920 6.198 ( -10.266 -0.468 -2.188) 10.507 6.374 ( 6.715 -15.451 -2.650) 17.054 6.471 ( 2.314 -3.033 5.140) 6.401 6.888 ( 0.622 -2.399 -17.643) 17.816 7.880 ( -12.088 21.347 16.700) 29.676 8.472 ( 1.462 2.983 1.745) 3.752 8.792 ( 6.616 -6.112 0.114) 9.008 9.099 ( -2.611 2.132 -5.755) 6.670 9.268 ( -6.099 5.736 -4.496) 9.503 9.645 ( -5.197 -0.697 0.857) 5.313 9.953 ( -0.404 1.808 -3.216) 3.711 10.357 ( -5.592 -5.008 14.084) 15.960 10.763 ( 3.983 6.979 13.755) 15.931 11.881 ( -4.203 -11.682 -0.645) 12.432 12.085 ( 10.809 7.654 -0.000) 13.244 15.326 ( -0.360 -1.504 3.217) 3.569 15.591 ( -0.136 -2.844 -0.334) 2.867 20.123 ( -2.146 -4.805 12.059) 13.158 20.317 ( 3.600 5.506 5.913) 8.845 21.471 ( 6.028 -7.552 -9.096) 13.270 21.775 ( -7.957 -0.962 -11.645) 14.137 22.547 ( -4.461 -0.388 -3.961) 5.978 22.818 ( -0.861 0.490 -1.412) 1.725 23.404 ( 9.386 -1.912 8.165) 12.586 23.778 ( -9.836 2.427 1.998) 10.326 26.975 ( 1.889 -1.553 -1.349) 2.793 27.503 ( 8.577 2.338 -7.623) 11.710 ======================= Grid point 215 (68/186) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.369 ( -0.000 0.000 4.026) 4.026 3.532 ( 0.000 -0.000 8.095) 8.095 3.788 ( 0.000 -0.000 3.441) 3.441 3.898 ( -0.000 0.000 -6.496) 6.496 4.879 ( -0.000 0.000 6.311) 6.311 4.901 ( 0.000 -0.000 -8.220) 8.220 5.779 ( -0.000 0.000 0.926) 0.926 5.827 ( 0.000 -0.000 -5.820) 5.820 6.080 ( -0.000 -0.000 -20.311) 20.311 6.092 ( 0.000 0.000 -6.904) 6.904 6.599 ( -0.000 0.000 -13.273) 13.273 6.631 ( 0.000 -0.000 3.204) 3.204 7.189 ( -0.000 0.000 6.714) 6.714 7.308 ( 0.000 -0.000 15.876) 15.876 8.477 ( 0.000 -0.000 3.184) 3.184 8.918 ( 0.000 -0.000 1.324) 1.324 9.035 ( -0.000 -0.000 -7.871) 7.871 9.174 ( -0.000 -0.000 -7.939) 7.939 9.613 ( 0.000 -0.000 0.017) 0.017 9.937 ( 0.000 -0.000 -2.312) 2.312 10.385 ( 0.000 -0.000 14.427) 14.427 10.715 ( 0.000 -0.000 14.689) 14.689 12.006 ( -0.000 -0.000 -2.568) 2.568 12.028 ( 0.000 0.000 2.063) 2.063 15.338 ( 0.000 -0.000 3.574) 3.574 15.616 ( -0.000 -0.000 0.019) 0.019 20.167 ( -0.000 -0.000 10.981) 10.981 20.277 ( 0.000 0.000 6.678) 6.678 21.634 ( 0.000 -0.000 -10.592) 10.592 21.676 ( 0.000 -0.000 -9.776) 9.776 22.527 ( 0.000 -0.000 -4.881) 4.881 22.810 ( -0.000 -0.000 -1.529) 1.529 23.499 ( 0.000 -0.000 7.766) 7.766 23.676 ( -0.000 -0.000 3.418) 3.418 26.999 ( 0.000 -0.000 -1.330) 1.330 27.525 ( 0.000 -0.000 -7.133) 7.133 ======================= Grid point 222 (69/186) ======================= q-point: ( 0.10 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.795 ( 15.056 -0.000 35.734) 38.776 1.915 ( 34.647 -0.000 26.099) 43.377 3.039 ( 21.710 -0.000 61.303) 65.034 4.374 ( 5.946 -0.000 -7.270) 9.392 4.468 ( 2.946 -0.000 -17.392) 17.640 4.937 ( -3.612 0.000 -17.822) 18.185 5.229 ( 2.780 -0.000 -25.398) 25.550 5.969 ( -1.345 0.000 -24.599) 24.636 6.049 ( -5.189 0.000 -10.114) 11.367 6.314 ( -14.549 0.000 -0.234) 14.551 6.591 ( 0.639 -0.000 -3.149) 3.213 7.031 ( -10.288 0.000 -1.934) 10.468 7.359 ( -6.050 0.000 1.255) 6.179 8.049 ( 6.239 -0.000 9.912) 11.712 8.092 ( 12.225 -0.000 5.618) 13.454 8.835 ( -8.255 0.000 0.706) 8.285 9.154 ( 0.289 -0.000 13.720) 13.723 9.666 ( -14.899 0.000 2.774) 15.155 9.694 ( 1.633 -0.000 -7.259) 7.441 10.110 ( -5.593 0.000 7.090) 9.030 10.515 ( -14.865 0.000 10.007) 17.920 11.109 ( -5.291 0.000 1.235) 5.434 11.524 ( 8.884 -0.000 1.914) 9.088 11.828 ( 30.992 -0.000 -8.705) 32.192 15.000 ( -1.630 0.000 3.903) 4.230 15.383 ( 1.239 -0.000 -0.847) 1.501 20.261 ( -8.701 0.000 7.045) 11.195 20.742 ( -2.380 0.000 4.295) 4.910 21.025 ( 2.194 -0.000 -10.587) 10.812 21.346 ( -2.378 0.000 -4.449) 5.044 22.478 ( -31.063 0.000 11.683) 33.187 22.926 ( 0.450 -0.000 -1.844) 1.898 23.240 ( 5.139 -0.000 5.193) 7.306 23.953 ( 5.415 -0.000 -5.090) 7.432 26.817 ( -0.463 0.000 -0.336) 0.572 27.381 ( 40.179 -0.000 -21.918) 45.768 ======================= Grid point 223 (70/186) ======================= q-point: ( 0.20 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.118 ( 19.205 -14.966 29.231) 38.043 2.276 ( 23.784 -5.962 28.924) 37.918 3.530 ( 37.041 -19.539 44.296) 60.959 4.349 ( 0.317 3.565 -13.664) 14.125 4.657 ( 5.015 -10.069 -15.385) 19.059 4.902 ( -1.246 -2.269 -13.921) 14.160 5.304 ( 7.069 -1.141 -18.360) 19.707 5.833 ( -4.552 10.089 -12.651) 16.810 5.946 ( -9.539 3.507 -2.754) 10.529 6.166 ( -8.622 4.744 -3.398) 10.411 6.497 ( -2.753 3.899 -13.405) 14.229 6.939 ( -8.803 -0.226 -5.707) 10.493 7.162 ( -7.862 12.751 -1.013) 15.014 8.170 ( 7.011 -3.398 9.499) 12.286 8.251 ( 11.974 -4.523 4.998) 13.741 8.797 ( -10.586 -4.918 1.958) 11.835 9.144 ( -0.051 1.358 9.068) 9.169 9.500 ( -10.651 0.583 4.036) 11.405 9.707 ( -2.966 1.304 -3.586) 4.833 10.032 ( -7.550 -0.134 3.559) 8.347 10.393 ( -8.173 1.325 9.532) 12.625 11.055 ( -2.832 0.865 0.698) 3.042 11.557 ( 8.381 4.511 4.799) 10.660 12.115 ( 20.937 -0.807 -6.250) 21.864 15.058 ( -3.064 -7.753 2.639) 8.744 15.417 ( 3.384 -1.298 -0.691) 3.689 20.120 ( -8.352 4.162 15.596) 18.175 20.657 ( 3.617 7.317 2.283) 8.476 21.029 ( -0.630 -2.595 -7.784) 8.230 21.464 ( -2.844 -11.272 -9.728) 15.158 22.302 ( -22.781 -9.743 8.212) 26.102 22.912 ( -0.598 1.343 -2.307) 2.736 23.305 ( 8.665 0.537 5.764) 10.421 23.980 ( 2.141 2.042 -3.659) 4.706 26.828 ( -0.711 -1.957 0.080) 2.084 27.680 ( 31.279 7.665 -22.642) 39.368 ======================= Grid point 224 (71/186) ======================= q-point: ( 0.30 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.595 ( 16.329 -17.479 26.975) 36.053 2.671 ( 26.092 -11.227 17.025) 33.116 4.119 ( 2.124 -9.429 9.300) 13.413 4.372 ( 13.487 -0.862 -1.765) 13.629 4.785 ( 5.324 -4.483 -10.849) 12.890 5.028 ( -1.860 -10.111 -3.818) 10.967 5.313 ( 4.087 8.393 -5.453) 10.811 5.691 ( -3.470 1.707 -0.882) 3.967 5.803 ( 2.110 -2.516 2.269) 3.992 6.064 ( 4.256 2.900 -18.644) 19.342 6.426 ( -8.902 -0.189 -11.283) 14.373 6.795 ( -8.137 13.478 -4.799) 16.459 6.891 ( -3.949 2.926 -12.243) 13.192 8.253 ( 7.433 2.831 9.467) 12.364 8.472 ( 7.588 -8.077 4.155) 11.835 8.736 ( -8.769 1.543 4.983) 10.203 9.099 ( -4.562 0.700 3.114) 5.567 9.433 ( -7.637 -1.501 0.105) 7.784 9.599 ( -5.047 3.920 1.568) 6.580 9.967 ( -8.305 -1.065 -1.379) 8.486 10.300 ( -4.688 1.517 9.343) 10.563 11.019 ( 2.514 3.610 4.858) 6.554 11.578 ( 2.454 -1.230 4.677) 5.423 12.272 ( 14.161 2.867 -2.513) 14.665 15.160 ( -4.223 -7.765 2.581) 9.208 15.494 ( 5.172 -2.273 -0.740) 5.697 20.014 ( -4.660 -0.043 17.567) 18.174 20.572 ( 6.030 8.445 0.150) 10.378 21.133 ( -0.919 -10.041 -5.835) 11.649 21.603 ( -3.615 -8.111 -11.412) 14.460 22.292 ( -18.198 -11.786 1.880) 21.763 22.874 ( -1.125 1.853 -2.209) 3.095 23.398 ( 11.739 0.660 6.066) 13.230 23.926 ( -0.037 5.149 -0.985) 5.242 26.864 ( -1.633 -3.351 0.306) 3.741 27.778 ( 21.748 11.085 -16.624) 29.533 ======================= Grid point 225 (72/186) ======================= q-point: ( 0.40 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.061 ( 18.545 -15.131 12.547) 27.024 3.117 ( 20.633 -12.048 14.003) 27.693 4.080 ( -6.870 7.229 -5.429) 11.355 4.304 ( 0.607 10.185 -1.157) 10.268 4.848 ( -14.146 -4.318 -4.582) 15.484 4.924 ( -8.386 9.737 -0.606) 12.865 5.483 ( 6.963 -6.003 6.472) 11.243 5.830 ( 10.419 -20.944 4.636) 23.848 6.001 ( 7.814 -1.736 -11.244) 13.802 6.156 ( 11.667 -2.856 -15.885) 19.915 6.327 ( -2.298 -0.223 -1.428) 2.714 6.506 ( -3.919 6.597 -3.857) 8.588 6.867 ( -0.700 -1.021 -18.900) 18.940 8.147 ( -2.060 16.704 15.379) 22.799 8.539 ( -1.583 3.910 3.534) 5.503 8.726 ( 3.975 -6.909 2.578) 8.377 9.050 ( -6.288 -1.366 -1.854) 6.697 9.328 ( -4.406 5.355 -6.312) 9.377 9.539 ( -6.574 -2.734 2.416) 7.519 9.910 ( -6.704 -1.795 -1.084) 7.024 10.260 ( -2.515 -1.528 10.374) 10.784 10.963 ( 5.926 8.053 9.895) 14.067 11.654 ( -3.736 -7.933 2.900) 9.236 12.311 ( 9.462 6.268 -1.146) 11.408 15.236 ( -3.882 -5.772 3.554) 7.811 15.586 ( 5.656 -1.623 -0.474) 5.904 20.018 ( -2.697 -4.036 15.750) 16.481 20.484 ( 5.040 8.192 1.267) 9.702 21.336 ( 1.288 -12.481 -6.258) 14.021 21.664 ( -4.623 -3.779 -10.833) 12.370 22.320 ( -14.958 -10.726 -2.956) 18.642 22.834 ( -0.891 1.324 -1.880) 2.466 23.514 ( 12.612 0.707 6.054) 14.007 23.818 ( 0.247 6.747 1.836) 6.996 26.903 ( -3.453 -3.864 0.347) 5.194 27.761 ( 14.050 11.440 -11.894) 21.674 ======================= Grid point 226 (73/186) ======================= q-point: ( 0.50 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.390 ( 13.470 -3.432 4.209) 14.523 3.534 ( 10.024 -11.707 8.535) 17.617 3.795 ( 1.813 11.281 2.930) 11.795 4.120 ( -0.651 16.244 -5.219) 17.074 4.699 ( -17.970 -4.172 3.132) 18.712 4.856 ( -2.451 -6.977 -0.220) 7.398 5.613 ( -3.630 -7.861 -1.168) 8.736 5.896 ( -10.585 6.346 -3.380) 12.796 6.042 ( 0.311 -0.411 -15.559) 15.567 6.163 ( 1.234 4.228 -14.638) 15.286 6.613 ( 11.565 -7.218 -10.339) 17.110 6.646 ( 11.671 -5.115 1.276) 12.807 7.006 ( 15.369 -18.066 0.301) 23.721 7.641 ( -9.845 30.995 17.130) 36.756 8.492 ( -0.967 1.970 3.753) 4.348 8.838 ( -6.323 -4.794 2.831) 8.425 9.019 ( -1.278 -0.295 -6.048) 6.188 9.233 ( 3.179 3.370 -9.043) 10.161 9.547 ( -3.564 -5.071 0.274) 6.204 9.889 ( -5.120 -2.093 -0.744) 5.581 10.310 ( -0.676 -5.894 12.647) 13.970 10.863 ( 6.060 10.298 13.321) 17.895 11.756 ( -7.981 -10.170 1.759) 13.047 12.254 ( 5.945 9.084 -1.290) 10.933 15.283 ( -3.107 -3.809 4.145) 6.430 15.653 ( 5.280 0.454 -0.265) 5.306 20.078 ( -2.222 -5.269 13.550) 14.707 20.392 ( 3.674 7.456 3.634) 9.072 21.540 ( -3.068 -7.634 -8.478) 11.814 21.670 ( 1.652 -2.784 -9.438) 9.978 22.359 ( -11.840 -9.609 -5.568) 16.233 22.815 ( -0.183 0.135 -1.707) 1.722 23.555 ( 1.390 5.520 7.540) 9.447 23.776 ( 11.925 2.467 2.399) 12.412 26.920 ( -6.061 -3.455 0.158) 6.979 27.677 ( 7.403 10.703 -8.969) 15.805 ======================= Grid point 227 (74/186) ======================= q-point: (-0.40 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.235 ( -5.741 18.215 7.253) 20.429 3.629 ( -1.321 17.611 5.922) 18.627 3.765 ( 5.153 -3.577 7.831) 10.033 4.098 ( 14.113 -12.221 -8.275) 20.421 4.640 ( -11.317 -7.426 -3.318) 13.937 5.076 ( 6.572 -12.751 2.946) 14.644 5.605 ( -13.122 2.631 -1.562) 13.474 5.686 ( -12.227 -0.589 -4.979) 13.215 6.041 ( -1.576 3.188 -23.108) 23.381 6.197 ( 5.527 -5.752 -2.138) 8.258 6.562 ( -1.091 12.152 -6.944) 14.039 6.754 ( 7.533 12.229 -0.878) 14.390 6.995 ( -6.293 19.973 -0.899) 20.960 7.662 ( 20.730 -23.051 15.474) 34.648 8.424 ( -4.347 1.028 2.783) 5.263 8.778 ( -8.945 0.559 0.929) 9.010 9.046 ( -0.730 -3.124 -7.667) 8.311 9.272 ( 6.415 -1.540 -4.847) 8.186 9.646 ( 2.765 -5.346 -0.696) 6.059 9.879 ( -4.904 -3.094 -1.630) 6.023 10.426 ( 2.852 -5.554 13.666) 15.024 10.751 ( 4.384 7.824 14.840) 17.340 11.824 ( -11.422 -8.474 1.615) 14.313 12.126 ( 3.505 11.029 -2.136) 11.769 15.305 ( -2.312 -1.974 4.079) 5.087 15.673 ( 4.439 2.967 -0.615) 5.375 20.139 ( -2.004 -3.906 11.273) 12.097 20.305 ( 2.085 5.708 6.656) 9.012 21.489 ( -7.106 2.676 -8.955) 11.740 21.831 ( 8.383 -4.636 -11.862) 15.247 22.417 ( -9.065 -9.513 -4.963) 14.046 22.825 ( 0.829 -0.888 -1.608) 2.016 23.419 ( -3.088 7.040 9.931) 12.559 23.910 ( 16.158 0.500 0.541) 16.175 26.894 ( -8.989 -2.357 -0.132) 9.294 27.547 ( 1.652 9.443 -7.178) 11.976 ======================= Grid point 228 (75/186) ======================= q-point: (-0.30 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.822 ( -7.323 21.853 14.393) 27.173 3.152 ( -6.279 25.669 15.258) 30.515 4.003 ( 1.734 -13.435 2.169) 13.719 4.404 ( 12.426 -6.008 -14.751) 20.201 4.772 ( -1.690 -14.603 -3.598) 15.134 5.258 ( -4.230 12.093 -2.102) 12.983 5.378 ( -4.960 2.974 3.933) 6.994 5.587 ( -7.895 -2.162 6.752) 10.610 5.856 ( -6.541 8.302 -21.175) 23.666 6.271 ( -1.244 19.721 -9.618) 21.976 6.382 ( 4.404 -1.711 2.689) 5.436 6.495 ( 2.070 -4.599 5.027) 7.121 6.918 ( 2.867 2.594 -21.920) 22.259 8.036 ( 2.377 -3.967 10.320) 11.308 8.516 ( 6.452 -12.008 5.617) 14.743 8.675 ( -4.156 2.864 1.905) 5.395 9.085 ( -3.179 -3.640 -5.405) 7.250 9.413 ( 7.281 -6.629 -2.602) 10.185 9.717 ( 0.892 0.142 0.460) 1.014 9.905 ( -3.552 -4.229 -2.239) 5.959 10.550 ( 10.560 -1.199 13.140) 16.900 10.711 ( 0.332 -0.739 14.009) 14.032 11.799 ( -13.635 -2.757 2.419) 14.120 11.962 ( 1.263 10.058 -3.596) 10.756 15.306 ( -1.433 -0.376 3.392) 3.702 15.642 ( 3.353 5.198 -1.722) 6.421 20.158 ( 1.065 1.231 10.086) 10.216 20.257 ( -2.062 -0.507 9.101) 9.345 21.361 ( -4.229 4.987 -9.303) 11.371 21.927 ( 6.460 2.922 -14.665) 16.290 22.515 ( -5.258 -10.301 -2.372) 11.806 22.861 ( 2.248 -1.419 -1.389) 3.000 23.283 ( -2.748 4.733 10.764) 12.075 24.056 ( 14.923 1.344 -2.684) 15.222 26.822 ( -11.355 -1.390 -0.249) 11.442 27.387 ( -2.607 8.416 -5.946) 10.629 ======================= Grid point 229 (76/186) ======================= q-point: (-0.20 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.338 ( -7.906 24.478 21.028) 33.224 2.671 ( -3.814 23.153 27.473) 36.130 4.190 ( -1.327 2.356 0.258) 2.717 4.454 ( 2.980 15.387 0.393) 15.677 4.671 ( -7.737 14.926 0.746) 16.829 5.036 ( 0.327 -7.307 0.055) 7.315 5.372 ( 3.284 -2.484 -17.013) 17.504 5.590 ( -4.648 0.524 -17.862) 18.465 5.858 ( 0.777 -9.374 1.329) 9.500 5.919 ( 0.353 12.813 -6.233) 14.253 6.581 ( 0.273 -17.112 -0.491) 17.121 6.689 ( 3.646 -7.861 -0.264) 8.670 6.879 ( 0.501 2.121 -20.951) 21.064 8.028 ( -2.774 0.879 5.158) 5.922 8.532 ( -0.664 8.169 5.565) 9.907 8.835 ( 5.158 -11.309 10.373) 16.189 9.113 ( -2.410 -2.522 -3.733) 5.109 9.614 ( 6.890 -3.573 -2.468) 8.145 9.704 ( 0.849 -3.051 2.826) 4.245 9.920 ( -5.299 -2.607 -1.797) 6.172 10.684 ( 13.539 0.700 10.747) 17.300 10.773 ( -2.155 -7.127 12.726) 14.744 11.655 ( -9.198 4.546 2.910) 10.665 11.807 ( -3.690 7.108 -4.751) 9.312 15.289 ( -0.503 1.309 2.198) 2.607 15.564 ( 1.908 6.702 -3.371) 7.741 20.159 ( 4.251 0.254 13.566) 14.219 20.264 ( -5.177 -3.998 7.308) 9.807 21.238 ( -1.357 5.919 -10.105) 11.790 21.868 ( 2.588 8.439 -13.269) 15.936 22.655 ( -1.318 -9.258 -1.351) 9.449 22.918 ( 3.601 -1.683 -1.238) 4.164 23.206 ( -1.545 1.839 9.196) 9.505 24.146 ( 10.077 3.565 -7.040) 12.799 26.726 ( -10.797 -1.153 0.209) 10.860 27.209 ( -3.763 8.253 -4.627) 10.182 ======================= Grid point 230 (77/186) ======================= q-point: (-0.10 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.870 ( -0.000 22.700 26.991) 35.267 2.287 ( -0.000 19.932 36.177) 41.305 3.557 ( -0.000 42.936 40.602) 59.093 4.501 ( 0.000 -4.622 -16.557) 17.190 4.528 ( -0.000 5.702 -11.933) 13.225 4.924 ( -0.000 11.061 -6.771) 12.969 5.467 ( -0.000 7.271 -28.194) 29.116 5.624 ( 0.000 -13.892 -22.935) 26.814 5.950 ( 0.000 -17.562 7.551) 19.117 6.041 ( 0.000 -7.392 0.280) 7.397 6.690 ( -0.000 6.791 -16.745) 18.070 6.931 ( 0.000 -21.226 -0.732) 21.238 6.967 ( 0.000 -9.050 -3.178) 9.592 7.994 ( -0.000 0.970 5.388) 5.475 8.344 ( -0.000 13.058 8.766) 15.728 9.021 ( 0.000 -7.303 14.481) 16.218 9.098 ( -0.000 3.130 -3.263) 4.522 9.609 ( -0.000 1.163 -1.904) 2.231 9.893 ( -0.000 0.027 -4.667) 4.667 9.921 ( 0.000 -11.723 4.594) 12.591 10.777 ( 0.000 -2.415 9.986) 10.273 10.885 ( 0.000 -7.199 10.944) 13.100 11.504 ( -0.000 7.127 4.363) 8.357 11.645 ( -0.000 7.753 -7.227) 10.599 15.238 ( -0.000 5.116 0.454) 5.136 15.460 ( -0.000 5.782 -3.745) 6.889 20.273 ( 0.000 -9.670 19.406) 21.682 20.284 ( 0.000 -3.408 1.597) 3.763 21.129 ( -0.000 5.934 -10.571) 12.123 21.713 ( -0.000 10.426 -10.378) 14.711 22.790 ( 0.000 -6.694 -1.288) 6.817 22.977 ( 0.000 -1.697 -1.690) 2.395 23.181 ( -0.000 0.141 6.953) 6.955 24.105 ( -0.000 7.684 -10.313) 12.861 26.683 ( 0.000 -1.888 0.848) 2.070 27.043 ( -0.000 7.906 -3.096) 8.490 ======================= Grid point 233 (78/186) ======================= q-point: ( 0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.167 ( 19.656 -0.000 29.783) 35.684 2.470 ( 22.291 -0.000 31.868) 38.890 3.834 ( 49.809 -0.000 35.364) 61.087 4.460 ( -3.914 0.000 -20.315) 20.689 4.533 ( 8.855 -0.000 -7.531) 11.624 4.885 ( 0.579 -0.000 -14.305) 14.316 5.408 ( 14.945 -0.000 -14.839) 21.061 5.841 ( -15.144 0.000 2.980) 15.434 5.926 ( -2.624 0.000 -20.752) 20.917 6.022 ( -13.130 0.000 -2.370) 13.342 6.594 ( 0.163 -0.000 -14.049) 14.050 6.776 ( -14.164 0.000 -5.075) 15.046 7.175 ( -11.764 0.000 0.117) 11.765 8.179 ( 5.490 -0.000 10.702) 12.028 8.380 ( 14.038 -0.000 -0.169) 14.039 8.626 ( -10.722 0.000 2.204) 10.946 9.169 ( 1.354 -0.000 9.378) 9.475 9.374 ( -13.022 0.000 4.914) 13.919 9.712 ( -0.389 0.000 -3.805) 3.825 9.934 ( -9.944 0.000 4.020) 10.726 10.338 ( -6.183 0.000 10.280) 11.996 10.999 ( -5.391 0.000 -3.641) 6.506 11.723 ( 10.145 -0.000 8.963) 13.537 12.294 ( 15.852 -0.000 -6.459) 17.117 14.959 ( -2.231 0.000 4.815) 5.307 15.452 ( 5.580 -0.000 -1.060) 5.680 20.077 ( -8.253 0.000 18.165) 19.952 20.685 ( -2.994 0.000 4.085) 5.064 21.079 ( 2.930 -0.000 -11.628) 11.991 21.298 ( -1.960 0.000 -9.156) 9.364 22.029 ( -14.362 0.000 8.735) 16.810 22.908 ( -2.100 0.000 -2.760) 3.468 23.412 ( 11.386 -0.000 5.418) 12.610 24.036 ( 3.330 -0.000 -3.323) 4.705 26.799 ( -1.334 0.000 1.389) 1.926 28.033 ( 22.886 -0.000 -26.478) 34.998 ======================= Grid point 234 (79/186) ======================= q-point: ( 0.30 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.487 ( 17.014 -13.470 26.693) 34.401 2.764 ( 23.826 -7.979 25.895) 36.082 4.142 ( 7.602 7.308 4.813) 11.592 4.569 ( 13.628 -6.326 -2.214) 15.187 4.687 ( 14.750 -3.360 -3.499) 15.527 4.952 ( 10.694 -4.676 -7.456) 13.850 5.484 ( -1.590 8.529 -12.352) 15.095 5.739 ( 3.771 0.409 1.096) 3.949 5.758 ( -6.169 2.373 2.276) 6.991 6.021 ( -4.596 -6.539 -13.955) 16.082 6.444 ( -2.945 8.162 -14.895) 17.239 6.749 ( -9.266 -4.449 -12.868) 16.469 6.956 ( -11.727 9.105 -2.757) 15.100 8.257 ( 0.712 -4.312 10.837) 11.686 8.509 ( 2.377 -4.395 -2.925) 5.790 8.599 ( 1.013 -2.123 4.111) 4.736 9.127 ( -2.100 5.201 7.793) 9.602 9.294 ( -8.446 -3.667 3.024) 9.691 9.642 ( -3.931 5.200 -0.437) 6.534 9.862 ( -7.664 -1.516 0.409) 7.823 10.267 ( -6.111 0.577 10.100) 11.819 10.983 ( -4.000 -3.878 -3.010) 6.333 11.736 ( 8.702 8.580 10.967) 16.420 12.428 ( 10.739 0.502 -2.760) 11.099 14.994 ( -2.898 -6.035 4.781) 8.227 15.528 ( 6.954 -1.220 -1.431) 7.204 19.980 ( -5.425 1.664 20.127) 20.912 20.701 ( 0.816 -1.852 1.062) 2.285 21.016 ( -0.471 2.672 -7.127) 7.626 21.422 ( -1.028 -10.199 -13.217) 16.727 21.965 ( -11.744 -6.526 4.637) 14.213 22.876 ( -2.524 0.775 -2.765) 3.823 23.533 ( 12.890 0.293 5.114) 13.870 24.031 ( 2.765 4.095 -1.767) 5.247 26.799 ( -2.102 -1.739 2.182) 3.494 28.150 ( 15.847 8.129 -21.672) 28.051 ======================= Grid point 235 (80/186) ======================= q-point: ( 0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.923 ( 15.159 -17.358 20.981) 31.166 3.204 ( 24.990 -12.121 14.467) 31.317 4.038 ( -3.226 3.459 0.915) 4.818 4.558 ( -5.508 4.874 -3.687) 8.228 4.722 ( 0.104 11.021 -0.734) 11.045 5.055 ( -4.275 12.242 -6.454) 14.484 5.460 ( -5.047 -0.682 -1.436) 5.291 5.675 ( 21.979 -13.344 8.894) 27.207 6.006 ( 5.681 -5.751 -12.555) 14.932 6.177 ( 12.924 -9.966 -3.431) 16.677 6.329 ( 0.641 2.806 -15.057) 15.330 6.568 ( -12.157 8.707 -3.560) 15.371 6.823 ( -2.744 -1.783 -18.944) 19.225 8.296 ( -4.526 -0.413 9.326) 10.375 8.531 ( -6.258 -0.810 5.155) 8.148 8.696 ( 7.206 -0.754 2.493) 7.662 9.001 ( -2.803 3.082 3.289) 5.308 9.271 ( -8.070 -2.695 -0.774) 8.543 9.521 ( -1.934 4.507 -0.699) 4.954 9.808 ( -6.470 -1.235 0.586) 6.613 10.205 ( -5.866 -0.694 8.810) 10.607 11.040 ( -0.299 -4.357 0.418) 4.387 11.644 ( 3.715 8.208 11.329) 14.474 12.483 ( 7.224 3.702 -0.876) 8.164 15.081 ( -3.281 -7.137 5.037) 9.332 15.626 ( 7.118 -1.591 -1.316) 7.412 19.938 ( -2.935 -1.754 19.035) 19.340 20.682 ( 4.870 7.632 -3.080) 9.563 21.087 ( -3.576 -12.913 -2.106) 13.564 21.557 ( -0.561 -5.949 -12.349) 13.718 21.988 ( -12.048 -9.653 -1.356) 15.498 22.837 ( -2.092 0.874 -2.530) 3.397 23.657 ( 12.343 0.771 4.845) 13.282 23.964 ( 3.538 6.604 0.516) 7.509 26.809 ( -3.500 -2.516 2.539) 5.002 28.106 ( 11.151 12.135 -16.061) 23.012 ======================= Grid point 236 (81/186) ======================= q-point: ( 0.50 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.364 ( 12.006 -16.031 9.875) 22.330 3.587 ( 22.772 -1.611 8.704) 24.432 3.991 ( -0.288 2.186 3.130) 3.828 4.338 ( 0.565 11.694 6.495) 13.388 4.533 ( -14.228 3.208 -2.839) 14.859 4.726 ( -10.822 8.533 -0.062) 13.782 5.473 ( -2.997 -4.307 -2.120) 5.659 5.850 ( -9.089 1.392 -7.019) 11.568 6.096 ( 2.381 4.098 -11.882) 12.793 6.228 ( -3.979 4.001 -17.478) 18.366 6.554 ( 13.428 -12.523 -7.848) 19.968 6.672 ( 17.746 -10.135 -0.489) 20.442 6.902 ( 11.155 -10.276 -7.528) 16.933 8.063 ( -4.996 22.919 13.872) 27.252 8.460 ( -10.450 -2.514 7.038) 12.847 8.706 ( -3.777 0.191 4.089) 5.570 9.015 ( 2.440 -0.609 -2.932) 3.863 9.275 ( -0.325 -4.618 -6.500) 7.980 9.440 ( -2.462 1.332 -2.160) 3.536 9.790 ( -4.978 -2.526 2.527) 6.128 10.193 ( -4.359 -4.792 9.540) 11.532 11.085 ( 5.982 3.796 6.867) 9.866 11.563 ( -5.146 -0.554 7.867) 9.417 12.448 ( 4.469 7.091 -1.116) 8.456 15.165 ( -2.781 -5.992 5.418) 8.543 15.714 ( 6.148 -0.511 -0.961) 6.243 19.971 ( -1.831 -4.455 17.039) 17.707 20.576 ( 3.881 9.056 -1.250) 9.932 21.314 ( -3.123 -14.726 -4.072) 15.595 21.625 ( 0.766 -3.217 -7.950) 8.610 22.049 ( -11.324 -10.917 -7.566) 17.454 22.810 ( -1.224 0.211 -2.306) 2.619 23.694 ( 4.120 6.528 6.197) 9.899 23.942 ( 11.062 2.354 1.286) 11.383 26.808 ( -5.302 -2.304 2.551) 6.319 27.972 ( 7.054 13.686 -12.051) 19.552 ======================= Grid point 237 (82/186) ======================= q-point: (-0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.509 ( 2.479 12.062 4.846) 13.233 3.768 ( 10.966 0.816 9.566) 14.575 3.946 ( 7.204 5.559 4.591) 10.192 4.150 ( 2.965 12.347 -1.074) 12.743 4.366 ( -12.487 -8.752 -3.457) 15.635 4.798 ( -2.070 -19.689 10.040) 22.198 5.454 ( -10.199 -1.372 -3.573) 10.894 5.661 ( -10.470 7.378 -6.935) 14.565 6.079 ( 2.572 -1.575 -11.640) 12.024 6.166 ( -0.560 1.391 -18.366) 18.427 6.734 ( 0.768 5.550 -17.032) 17.930 6.834 ( 8.713 -6.568 -14.016) 17.763 7.459 ( 11.411 10.844 15.196) 21.880 7.534 ( 11.584 1.677 15.259) 19.231 8.381 ( -11.778 -0.729 6.559) 13.500 8.651 ( -7.248 -1.489 3.499) 8.185 9.020 ( 0.042 0.431 -5.855) 5.871 9.333 ( 4.695 1.693 -8.460) 9.823 9.522 ( 0.732 -10.597 -1.100) 10.679 9.774 ( -5.374 -2.265 1.119) 5.938 10.292 ( -1.217 -9.200 12.012) 15.179 11.016 ( 8.890 12.093 13.547) 20.219 11.565 ( -10.435 -8.000 3.287) 13.554 12.336 ( 2.373 9.702 -2.250) 10.238 15.229 ( -1.904 -4.151 5.348) 7.032 15.760 ( 4.411 1.522 -0.910) 4.754 20.040 ( -1.414 -4.974 14.728) 15.610 20.457 ( 2.460 8.332 2.241) 8.972 21.428 ( -5.105 -2.853 -7.527) 9.532 21.775 ( 6.292 -10.146 -6.530) 13.607 22.127 ( -10.415 -10.650 -9.499) 17.667 22.808 ( -0.430 -0.955 -2.116) 2.361 23.558 ( 0.204 9.909 9.248) 13.556 24.063 ( 12.751 -0.641 -0.249) 12.770 26.778 ( -6.722 -1.231 2.391) 7.240 27.785 ( 3.362 13.814 -9.297) 16.987 ======================= Grid point 238 (83/186) ======================= q-point: (-0.30 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.191 ( 0.345 23.172 13.773) 26.958 3.560 ( -3.067 26.029 6.230) 26.939 3.852 ( 1.682 -3.944 4.776) 6.418 4.363 ( 9.729 -12.720 -4.812) 16.721 4.491 ( -3.670 -14.220 -5.074) 15.538 5.177 ( 4.233 -18.930 6.046) 20.318 5.365 ( -8.767 0.959 -2.285) 9.110 5.436 ( -9.304 3.984 -4.930) 11.258 6.011 ( -0.981 9.330 -25.066) 26.764 6.287 ( 2.810 -10.399 -1.159) 10.834 6.544 ( -0.777 15.954 -7.912) 17.825 6.840 ( 0.782 31.491 10.470) 33.195 6.973 ( 2.063 0.556 -18.417) 18.540 8.016 ( 11.696 -6.914 11.971) 18.108 8.340 ( -3.177 -10.884 6.027) 12.841 8.631 ( -4.693 -2.776 4.074) 6.807 9.009 ( -1.929 -0.589 -6.698) 6.995 9.384 ( 4.100 -3.088 -6.258) 8.093 9.669 ( -1.460 -4.609 -1.315) 5.010 9.802 ( -1.166 -5.462 -0.166) 5.588 10.458 ( 0.330 -9.858 13.304) 16.562 10.889 ( 6.833 10.721 15.451) 20.009 11.596 ( -8.724 -6.303 2.271) 10.999 12.169 ( 0.994 11.227 -3.457) 11.789 15.270 ( -0.936 -2.271 4.698) 5.301 15.749 ( 2.271 3.659 -1.453) 4.545 20.107 ( -0.931 -4.111 11.890) 12.615 20.340 ( 1.003 7.154 6.493) 9.713 21.383 ( -2.870 2.014 -8.252) 8.966 21.992 ( 7.060 -3.525 -15.686) 17.559 22.228 ( -8.179 -13.821 -2.523) 16.257 22.834 ( 0.138 -2.274 -1.829) 2.921 23.390 ( -0.371 8.893 11.650) 14.661 24.189 ( 8.706 -0.683 -2.918) 9.208 26.719 ( -5.970 0.227 2.303) 6.403 27.573 ( 0.695 12.830 -7.257) 14.757 ======================= Grid point 239 (84/186) ======================= q-point: (-0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.755 ( -0.000 26.366 18.534) 32.229 3.084 ( -0.000 26.352 16.446) 31.063 4.005 ( 0.000 -12.440 -3.649) 12.964 4.630 ( 0.000 -6.275 -5.604) 8.413 4.684 ( 0.000 -10.104 -6.557) 12.045 5.182 ( -0.000 18.178 13.719) 22.774 5.269 ( 0.000 -0.596 -14.999) 15.011 5.595 ( 0.000 -18.232 9.927) 20.760 5.764 ( -0.000 15.267 -23.739) 28.224 6.257 ( -0.000 18.747 -9.744) 21.128 6.437 ( -0.000 6.879 6.341) 9.356 6.508 ( 0.000 -12.359 0.851) 12.388 6.958 ( -0.000 3.672 -22.694) 22.989 8.043 ( -0.000 2.097 5.823) 6.189 8.621 ( -0.000 2.181 4.935) 5.395 8.630 ( 0.000 -15.882 9.286) 18.397 9.032 ( 0.000 -3.818 -6.191) 7.273 9.515 ( 0.000 -8.942 -2.397) 9.258 9.690 ( -0.000 0.050 -2.541) 2.542 9.871 ( 0.000 -2.144 0.733) 2.266 10.622 ( 0.000 -8.732 13.571) 16.138 10.797 ( -0.000 4.456 13.385) 14.107 11.611 ( 0.000 -1.364 2.869) 3.177 11.977 ( -0.000 11.305 -4.370) 12.120 15.290 ( 0.000 -0.628 3.596) 3.651 15.681 ( -0.000 5.449 -2.535) 6.009 20.166 ( 0.000 -3.475 8.495) 9.179 20.237 ( -0.000 4.845 11.338) 12.329 21.316 ( -0.000 4.066 -9.367) 10.212 22.002 ( -0.000 4.829 -17.292) 17.954 22.442 ( 0.000 -13.692 -0.179) 13.693 22.884 ( 0.000 -3.138 -1.523) 3.488 23.261 ( -0.000 5.457 11.563) 12.786 24.239 ( -0.000 0.794 -5.966) 6.018 26.672 ( -0.000 0.790 2.126) 2.268 27.367 ( -0.000 11.103 -5.608) 12.439 ======================= Grid point 244 (85/186) ======================= q-point: ( 0.30 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.509 ( 12.373 -0.000 25.598) 28.432 2.923 ( 22.899 -0.000 29.343) 37.221 4.367 ( -3.567 0.000 0.597) 3.617 4.387 ( -0.633 0.000 -8.662) 8.686 5.000 ( 20.593 -0.000 -8.520) 22.286 5.123 ( 41.172 -0.000 8.142) 41.969 5.470 ( -14.666 0.000 -9.232) 17.329 5.719 ( -13.153 0.000 2.859) 13.460 5.848 ( 17.314 -0.000 -3.410) 17.646 5.890 ( 0.776 -0.000 -11.226) 11.253 6.493 ( -12.856 0.000 -10.986) 16.911 6.607 ( 1.105 -0.000 -21.487) 21.515 6.897 ( -15.222 0.000 -0.563) 15.232 8.217 ( -3.552 0.000 11.140) 11.693 8.317 ( -13.545 0.000 -4.813) 14.375 8.730 ( 14.107 -0.000 1.363) 14.173 9.131 ( -11.131 0.000 0.831) 11.162 9.213 ( 3.077 -0.000 8.942) 9.456 9.666 ( -4.145 0.000 -2.411) 4.795 9.767 ( -5.318 0.000 4.656) 7.068 10.202 ( -7.549 0.000 10.921) 13.277 10.893 ( -4.973 0.000 -4.934) 7.006 11.915 ( 8.404 -0.000 13.106) 15.569 12.519 ( 7.451 -0.000 -0.863) 7.501 14.918 ( -1.725 0.000 5.938) 6.183 15.589 ( 7.211 -0.000 -2.143) 7.523 19.945 ( -4.762 0.000 22.119) 22.625 20.628 ( -2.512 0.000 3.799) 4.555 21.137 ( 2.655 -0.000 -12.631) 12.907 21.272 ( -0.627 0.000 -13.399) 13.413 21.824 ( -7.077 0.000 4.341) 8.302 22.855 ( -2.783 0.000 -2.966) 4.067 23.665 ( 12.579 -0.000 4.482) 13.354 24.097 ( 2.630 -0.000 -1.678) 3.119 26.763 ( -2.180 0.000 3.601) 4.209 28.351 ( 9.973 -0.000 -21.155) 23.388 ======================= Grid point 245 (86/186) ======================= q-point: ( 0.40 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.746 ( 7.213 -15.154 22.975) 28.452 3.231 ( 22.099 -8.861 23.920) 33.750 4.202 ( 2.427 9.209 1.755) 9.684 4.418 ( -8.045 -1.398 -2.865) 8.653 5.094 ( 1.732 17.605 -6.418) 18.818 5.198 ( 4.992 2.791 -6.744) 8.843 5.421 ( -10.834 7.414 -1.442) 13.206 5.709 ( 16.062 -8.176 1.398) 18.077 5.991 ( 16.127 -4.987 -5.281) 17.688 6.148 ( 18.098 -9.674 -1.616) 20.585 6.367 ( -3.231 0.894 -16.724) 17.057 6.572 ( -8.675 5.996 -8.155) 13.331 6.751 ( -5.808 -2.046 -14.116) 15.401 8.128 ( -13.565 -3.286 6.846) 15.546 8.328 ( -11.406 -10.654 -0.116) 15.608 8.836 ( 10.987 3.110 1.016) 11.463 9.026 ( -5.830 0.826 0.325) 5.897 9.218 ( 0.706 2.962 8.933) 9.438 9.572 ( -2.996 3.470 -1.963) 4.986 9.748 ( -2.910 -0.396 3.262) 4.389 10.122 ( -8.210 -0.278 10.092) 13.013 10.902 ( -3.762 -6.214 -3.818) 8.206 11.891 ( 6.271 10.566 14.314) 18.864 12.581 ( 5.020 0.613 0.892) 5.135 14.947 ( -1.689 -4.841 6.299) 8.122 15.670 ( 6.462 -1.227 -2.281) 6.962 19.898 ( -2.858 0.284 21.760) 21.948 20.699 ( -0.692 -8.933 2.312) 9.253 21.013 ( 0.107 8.735 -9.392) 12.827 21.424 ( 1.039 -10.181 -15.601) 18.658 21.784 ( -6.729 -2.845 1.967) 7.565 22.825 ( -2.277 0.368 -2.904) 3.708 23.784 ( 10.852 0.280 3.973) 11.559 24.088 ( 2.713 3.649 -0.468) 4.571 26.749 ( -2.603 -0.956 4.387) 5.189 28.368 ( 6.696 7.155 -17.832) 20.347 ======================= Grid point 246 (87/186) ======================= q-point: ( 0.50 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.133 ( 4.651 -21.204 17.811) 28.080 3.649 ( 18.950 -14.285 14.382) 27.749 4.107 ( 9.184 8.918 9.731) 16.080 4.334 ( -10.781 -1.735 -0.465) 10.930 4.673 ( -6.666 22.838 1.915) 23.868 4.939 ( -8.897 19.445 -5.208) 22.009 5.421 ( 6.025 -3.648 -5.318) 8.825 5.793 ( -5.498 2.177 -6.744) 8.969 6.171 ( -8.434 4.473 -5.962) 11.255 6.238 ( 2.234 1.678 -23.957) 24.120 6.493 ( 11.250 -9.209 -9.481) 17.357 6.655 ( 11.932 -8.457 -9.001) 17.173 6.872 ( 19.899 -10.719 -0.517) 22.608 8.072 ( -18.312 -8.101 8.111) 21.604 8.328 ( -11.530 0.372 3.482) 12.050 8.797 ( 2.553 8.145 4.603) 9.697 9.046 ( 5.051 -1.986 -0.454) 5.447 9.156 ( -2.518 -0.323 5.038) 5.641 9.499 ( -1.504 3.553 -8.362) 9.209 9.732 ( -0.141 -0.227 6.671) 6.676 10.061 ( -7.795 -2.973 8.425) 11.856 11.021 ( -1.194 -9.824 -1.402) 9.995 11.711 ( 2.538 14.580 14.930) 21.022 12.583 ( 3.011 4.033 0.599) 5.069 15.032 ( -1.545 -6.449 6.574) 9.338 15.753 ( 4.837 -1.428 -1.863) 5.377 19.894 ( -1.454 -2.425 20.025) 20.223 20.770 ( 3.846 7.677 -5.369) 10.127 21.004 ( -4.166 -14.356 -0.386) 14.953 21.579 ( 2.598 -4.882 -10.760) 12.098 21.789 ( -7.931 -7.043 -5.500) 11.948 22.800 ( -1.341 0.243 -2.779) 3.095 23.839 ( 5.109 4.357 4.472) 8.067 24.067 ( 5.885 2.045 0.578) 6.257 26.737 ( -3.098 -0.974 4.583) 5.617 28.257 ( 4.363 11.800 -14.465) 19.170 ======================= Grid point 247 (88/186) ======================= q-point: ( 0.60 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.515 ( 3.136 -15.711 11.155) 19.522 3.983 ( 14.573 5.025 8.072) 17.401 4.075 ( 6.140 0.380 7.049) 9.357 4.240 ( -7.299 11.955 -0.071) 14.007 4.380 ( -2.200 -8.517 10.589) 13.766 4.510 ( -9.449 14.402 -1.249) 17.271 5.447 ( 0.520 7.555 -4.170) 8.645 5.661 ( -6.998 1.803 -7.512) 10.424 6.029 ( -4.039 -1.367 -5.319) 6.817 6.233 ( 1.529 3.705 -28.822) 29.099 6.748 ( 3.033 -5.423 -19.245) 20.223 6.774 ( 2.711 -6.576 -15.902) 17.420 7.450 ( 30.997 -17.359 13.196) 37.898 7.968 ( -6.376 14.922 11.446) 19.858 8.090 ( -20.855 -2.410 11.011) 23.706 8.680 ( -0.039 6.682 3.822) 7.698 9.049 ( 0.742 2.293 -1.543) 2.861 9.302 ( 1.510 -12.873 -0.183) 12.962 9.425 ( 0.061 3.339 -11.310) 11.793 9.721 ( -1.599 0.915 5.479) 5.780 10.108 ( -2.962 -9.022 9.892) 13.712 11.194 ( 4.008 -7.648 1.821) 8.824 11.461 ( -3.922 12.635 14.102) 19.336 12.504 ( 1.293 7.490 -0.973) 7.662 15.128 ( -0.903 -5.814 6.494) 8.763 15.807 ( 2.554 -0.242 -1.375) 2.911 19.946 ( -0.665 -4.502 17.876) 18.446 20.634 ( 1.604 9.631 -2.685) 10.126 21.252 ( -2.056 -13.961 -3.633) 14.571 21.666 ( 2.299 -5.215 0.456) 5.717 21.874 ( -5.384 -9.572 -16.548) 19.860 22.791 ( -0.489 -0.313 -2.635) 2.698 23.737 ( 0.898 9.514 6.996) 11.844 24.136 ( 5.814 -1.691 -0.129) 6.056 26.718 ( -2.719 -0.297 4.310) 5.105 28.061 ( 2.024 14.267 -11.687) 18.554 ======================= Grid point 248 (89/186) ======================= q-point: (-0.30 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.550 ( -0.000 14.594 11.806) 18.772 3.863 ( -0.000 10.509 5.158) 11.707 4.033 ( -0.000 22.573 -0.252) 22.574 4.150 ( 0.000 -12.931 10.957) 16.949 4.276 ( 0.000 -8.551 -11.556) 14.376 4.789 ( 0.000 -25.414 15.051) 29.536 5.319 ( -0.000 3.058 -4.629) 5.548 5.541 ( -0.000 8.372 -8.308) 11.794 6.122 ( 0.000 -9.114 -3.699) 9.836 6.146 ( -0.000 6.691 -27.824) 28.618 6.738 ( -0.000 5.643 -19.209) 20.021 6.929 ( 0.000 -5.760 -15.654) 16.680 7.449 ( -0.000 34.889 15.592) 38.215 7.986 ( 0.000 -18.800 9.102) 20.887 8.049 ( 0.000 -6.461 13.635) 15.088 8.587 ( -0.000 2.378 3.899) 4.567 9.019 ( -0.000 1.702 -5.101) 5.377 9.388 ( -0.000 0.932 -10.835) 10.875 9.533 ( 0.000 -11.057 -0.309) 11.062 9.713 ( 0.000 -2.455 2.079) 3.217 10.275 ( 0.000 -10.887 12.052) 16.241 11.155 ( -0.000 15.208 16.436) 22.393 11.409 ( 0.000 -9.867 1.084) 9.926 12.359 ( -0.000 9.900 -2.582) 10.231 15.210 ( 0.000 -4.145 5.829) 7.152 15.808 ( -0.000 1.718 -1.221) 2.108 20.025 ( 0.000 -4.791 15.199) 15.936 20.483 ( -0.000 8.626 1.767) 8.805 21.373 ( 0.000 -2.217 -7.047) 7.388 21.880 ( 0.000 -16.317 3.835) 16.762 21.978 ( 0.000 -5.829 -20.534) 21.346 22.803 ( 0.000 -1.281 -2.324) 2.654 23.562 ( -0.000 10.669 9.944) 14.584 24.205 ( 0.000 -2.166 -1.632) 2.712 26.700 ( -0.000 0.493 3.640) 3.673 27.818 ( -0.000 14.604 -9.321) 17.326 ======================= Grid point 255 (90/186) ======================= q-point: ( 0.40 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.639 ( 1.377 -0.000 25.578) 25.615 3.377 ( 21.115 -0.000 26.506) 33.889 4.167 ( -13.102 0.000 -1.583) 13.197 4.499 ( 11.434 -0.000 4.983) 12.472 5.199 ( -11.925 0.000 -7.666) 14.177 5.268 ( 9.123 -0.000 -11.487) 14.668 5.387 ( -15.722 0.000 0.274) 15.725 5.773 ( 12.230 -0.000 -5.058) 13.235 6.167 ( 11.509 -0.000 -8.774) 14.472 6.241 ( 16.983 -0.000 -8.111) 18.821 6.340 ( 6.379 -0.000 -1.118) 6.476 6.627 ( 0.442 -0.000 -23.952) 23.956 6.642 ( 1.158 -0.000 1.245) 1.700 7.958 ( -22.913 0.000 10.076) 25.030 8.054 ( -11.156 0.000 -6.289) 12.806 8.951 ( -5.768 0.000 -1.339) 5.922 8.979 ( 9.590 -0.000 -0.785) 9.622 9.290 ( 4.233 -0.000 11.359) 12.122 9.556 ( -6.193 0.000 -3.674) 7.201 9.744 ( 2.841 -0.000 8.018) 8.506 10.036 ( -8.554 0.000 10.096) 13.232 10.804 ( -3.507 0.000 -5.094) 6.184 12.050 ( 4.724 -0.000 15.412) 16.120 12.623 ( 3.141 -0.000 2.569) 4.058 14.892 ( -0.813 0.000 6.837) 6.885 15.716 ( 4.803 -0.000 -2.840) 5.580 19.878 ( -2.072 0.000 23.265) 23.357 20.587 ( -1.422 0.000 3.549) 3.823 21.181 ( 1.585 -0.000 -13.277) 13.371 21.269 ( 0.130 -0.000 -15.890) 15.890 21.719 ( -3.502 0.000 2.538) 4.325 22.807 ( -1.785 0.000 -2.979) 3.473 23.884 ( 8.220 -0.000 3.307) 8.860 24.140 ( 1.532 -0.000 -0.539) 1.624 26.719 ( -1.868 0.000 5.545) 5.851 28.482 ( 3.674 -0.000 -17.284) 17.670 ======================= Grid point 256 (91/186) ======================= q-point: ( 0.50 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.797 ( -0.166 -16.850 24.356) 29.617 3.641 ( 17.204 -7.743 25.567) 31.774 4.055 ( -12.820 -2.774 -2.811) 13.414 4.534 ( 13.977 10.273 9.250) 19.658 4.928 ( -11.762 15.783 2.646) 19.861 5.129 ( -8.108 13.323 -10.552) 18.831 5.396 ( 4.053 -6.118 -9.905) 12.328 5.876 ( 9.923 3.320 -2.660) 10.797 6.128 ( -10.562 3.397 -11.056) 15.663 6.286 ( -3.983 3.129 -19.080) 19.741 6.447 ( 8.258 -6.649 -8.616) 13.661 6.644 ( 1.643 -1.776 -22.597) 22.726 6.969 ( 36.170 -9.484 11.418) 39.097 7.703 ( -29.319 -4.241 9.630) 31.150 8.100 ( -7.480 -12.038 -4.919) 15.002 8.899 ( -1.353 1.769 -0.714) 2.339 9.053 ( 4.521 -0.190 -0.342) 4.538 9.262 ( 2.390 7.528 15.589) 17.475 9.495 ( -3.707 -0.003 -9.456) 10.157 9.776 ( 4.892 1.310 9.700) 10.943 9.950 ( -7.954 -0.385 8.264) 11.476 10.843 ( -1.695 -7.388 -3.937) 8.542 11.979 ( 2.264 11.477 15.812) 19.669 12.646 ( 1.513 0.662 2.749) 3.207 14.925 ( -0.514 -4.304 7.101) 8.319 15.766 ( 2.574 -1.265 -2.701) 3.940 19.860 ( -0.890 -0.199 22.397) 22.415 20.685 ( -0.451 -11.690 3.079) 12.097 21.016 ( 0.144 11.536 -11.217) 16.091 21.450 ( 1.100 -11.827 -17.393) 21.061 21.686 ( -2.760 0.426 1.886) 3.370 22.792 ( -0.872 0.097 -2.942) 3.070 23.937 ( 3.851 1.618 3.202) 5.263 24.134 ( 1.551 1.570 0.076) 2.208 26.706 ( -1.253 -0.260 5.900) 6.037 28.450 ( 1.817 6.621 -15.704) 17.139 ======================= Grid point 257 (92/186) ======================= q-point: (-0.40 -0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.162 ( 0.000 -23.395 19.594) 30.516 3.969 ( 0.000 -16.049 28.720) 32.900 4.018 ( 0.000 -3.916 -11.328) 11.985 4.430 ( -0.000 13.297 12.463) 18.225 4.496 ( -0.000 21.788 7.319) 22.984 4.803 ( -0.000 18.845 -12.878) 22.825 5.545 ( 0.000 -7.337 -8.081) 10.915 5.728 ( -0.000 18.185 -4.132) 18.648 5.990 ( -0.000 0.287 -4.696) 4.705 6.279 ( -0.000 0.100 -29.618) 29.618 6.629 ( 0.000 -9.359 -9.365) 13.240 6.695 ( 0.000 -3.622 -25.424) 25.681 7.511 ( 0.000 -7.601 9.433) 12.114 7.550 ( 0.000 -17.517 15.326) 23.275 8.202 ( 0.000 -0.146 -0.266) 0.304 8.820 ( -0.000 7.664 3.257) 8.327 9.106 ( 0.000 -0.898 -1.589) 1.825 9.145 ( -0.000 0.856 11.679) 11.710 9.469 ( -0.000 1.620 -13.203) 13.302 9.766 ( -0.000 3.469 9.880) 10.472 9.951 ( 0.000 -5.894 7.594) 9.613 11.006 ( 0.000 -11.659 -1.809) 11.799 11.738 ( -0.000 16.676 15.947) 23.074 12.613 ( -0.000 4.162 1.136) 4.314 15.017 ( 0.000 -6.202 7.097) 9.425 15.805 ( 0.000 -1.420 -2.061) 2.502 19.879 ( 0.000 -2.580 20.396) 20.558 20.820 ( -0.000 10.894 -7.403) 13.172 20.949 ( 0.000 -17.731 1.149) 17.768 21.652 ( -0.000 0.696 2.464) 2.560 21.664 ( 0.000 -11.462 -19.364) 22.503 22.787 ( -0.000 0.011 -2.872) 2.872 23.885 ( -0.000 6.446 4.564) 7.898 24.138 ( 0.000 -0.780 0.226) 0.813 26.703 ( 0.000 -0.170 5.477) 5.480 28.299 ( -0.000 11.627 -13.826) 18.065 ======================= Grid point 268 (93/186) ======================= q-point: (-0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.638 ( -0.000 0.000 27.333) 27.333 3.680 ( 0.000 -0.000 36.326) 36.326 3.946 ( -0.000 0.000 -11.503) 11.503 4.720 ( -0.000 0.000 11.513) 11.513 4.989 ( -0.000 0.000 3.154) 3.154 5.218 ( 0.000 -0.000 -14.587) 14.587 5.351 ( 0.000 -0.000 -10.964) 10.964 5.993 ( 0.000 -0.000 0.226) 0.226 6.072 ( -0.000 0.000 -15.359) 15.359 6.293 ( 0.000 -0.000 -12.889) 12.889 6.440 ( -0.000 0.000 -8.481) 8.481 6.622 ( 0.000 -0.000 -25.329) 25.329 7.205 ( -0.000 0.000 12.268) 12.268 7.402 ( 0.000 -0.000 8.566) 8.566 7.927 ( 0.000 -0.000 -6.797) 6.797 8.897 ( 0.000 -0.000 -1.250) 1.250 9.084 ( 0.000 -0.000 -0.987) 0.987 9.357 ( -0.000 0.000 18.984) 18.984 9.464 ( 0.000 -0.000 -11.075) 11.075 9.833 ( 0.000 -0.000 13.756) 13.756 9.892 ( -0.000 0.000 5.259) 5.259 10.766 ( 0.000 -0.000 -5.146) 5.146 12.099 ( 0.000 -0.000 16.169) 16.169 12.654 ( 0.000 -0.000 3.640) 3.640 14.884 ( 0.000 -0.000 7.177) 7.177 15.767 ( 0.000 -0.000 -3.056) 3.056 19.857 ( 0.000 -0.000 23.551) 23.551 20.573 ( 0.000 -0.000 3.452) 3.452 21.197 ( 0.000 -0.000 -13.498) 13.498 21.271 ( 0.000 -0.000 -16.757) 16.757 21.683 ( -0.000 0.000 2.150) 2.150 22.788 ( 0.000 -0.000 -2.960) 2.960 23.971 ( 0.000 -0.000 2.755) 2.755 24.156 ( 0.000 -0.000 -0.127) 0.127 26.698 ( 0.000 -0.000 6.350) 6.350 28.517 ( 0.000 -0.000 -16.035) 16.035 ======================= Grid point 315 (94/186) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.078 ( 0.000 0.000 32.957) 32.957 2.353 ( 0.000 0.000 34.743) 34.743 3.814 ( 0.000 0.000 17.627) 17.627 4.114 ( 0.000 0.000 -17.872) 17.872 4.151 ( 0.000 0.000 -8.635) 8.635 4.607 ( 0.000 0.000 -29.542) 29.542 4.920 ( 0.000 0.000 25.514) 25.514 5.497 ( 0.000 0.000 -22.850) 22.850 5.631 ( 0.000 0.000 -25.372) 25.372 6.566 ( 0.000 0.000 6.109) 6.109 6.722 ( 0.000 0.000 9.640) 9.640 7.088 ( 0.000 0.000 -4.464) 4.464 7.390 ( 0.000 0.000 -4.339) 4.339 7.997 ( 0.000 0.000 -5.336) 5.336 8.189 ( 0.000 0.000 10.791) 10.791 8.808 ( 0.000 0.000 -11.075) 11.075 9.490 ( 0.000 0.000 16.172) 16.172 9.539 ( 0.000 0.000 -2.525) 2.525 9.776 ( 0.000 0.000 -4.150) 4.150 10.236 ( 0.000 0.000 0.428) 0.428 11.029 ( 0.000 0.000 3.487) 3.487 11.297 ( 0.000 0.000 -5.143) 5.143 11.301 ( 0.000 0.000 7.602) 7.602 11.357 ( 0.000 0.000 8.531) 8.531 15.091 ( 0.000 0.000 3.813) 3.813 15.338 ( 0.000 0.000 -2.389) 2.389 20.334 ( 0.000 0.000 -0.562) 0.562 20.788 ( 0.000 0.000 -11.108) 11.108 20.869 ( 0.000 0.000 5.767) 5.767 21.309 ( 0.000 0.000 -3.984) 3.984 22.894 ( 0.000 0.000 -1.012) 1.012 22.945 ( 0.000 0.000 -2.612) 2.612 23.295 ( 0.000 0.000 5.801) 5.801 23.762 ( 0.000 0.000 -4.588) 4.588 26.784 ( 0.000 0.000 -0.848) 0.848 26.800 ( 0.000 0.000 -1.119) 1.119 ======================= Grid point 316 (95/186) ======================= q-point: ( 0.10 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.239 ( 12.999 -8.569 29.570) 33.418 2.594 ( 6.019 -20.546 31.501) 38.088 3.904 ( 5.602 -6.839 12.309) 15.155 4.130 ( -3.126 -4.042 -14.668) 15.533 4.253 ( 4.596 -7.700 -9.877) 13.341 4.660 ( 7.954 -3.590 -18.422) 20.384 4.970 ( -0.959 -6.327 18.797) 19.856 5.387 ( 1.048 8.663 -21.315) 23.032 5.736 ( -0.173 -7.782 -24.239) 25.458 6.463 ( -9.760 10.108 7.349) 15.857 6.559 ( -0.421 12.019 8.146) 14.526 7.017 ( -5.231 4.688 -4.418) 8.298 7.211 ( -1.601 16.776 -4.464) 17.433 8.030 ( 4.661 -0.549 -6.138) 7.726 8.304 ( 1.690 -9.442 8.218) 12.630 8.862 ( -2.759 -6.353 -10.415) 12.507 9.405 ( -5.473 3.617 11.750) 13.457 9.575 ( 4.042 1.300 2.366) 4.860 9.764 ( -4.985 -1.806 -2.836) 6.013 10.159 ( -0.407 7.602 -0.168) 7.614 10.871 ( -17.109 0.791 8.053) 18.926 11.195 ( -7.164 1.584 3.295) 8.043 11.408 ( 11.713 -0.760 2.035) 11.913 11.600 ( 19.889 -6.697 1.990) 21.080 15.144 ( -0.512 -5.829 2.804) 6.488 15.355 ( 0.647 -1.639 -2.134) 2.768 20.328 ( -0.426 0.326 1.052) 1.181 20.760 ( -0.801 9.365 9.063) 13.057 20.827 ( 0.819 -3.849 -10.633) 11.337 21.376 ( -2.004 -7.096 -6.780) 10.017 22.832 ( -8.626 2.502 -0.339) 8.988 22.899 ( -5.476 -0.559 -1.231) 5.640 23.313 ( 2.528 -0.643 6.360) 6.874 23.826 ( 2.234 -3.945 -6.156) 7.645 26.778 ( 5.912 1.935 -0.584) 6.248 26.914 ( 9.941 -4.024 -3.863) 11.399 ======================= Grid point 317 (96/186) ======================= q-point: ( 0.20 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.575 ( 14.670 -12.779 23.010) 30.132 3.006 ( 5.573 -17.810 29.862) 35.213 4.037 ( -1.091 -2.416 -14.840) 15.075 4.232 ( 4.114 -3.200 -5.874) 7.853 4.503 ( 6.219 -18.283 -0.867) 19.331 4.907 ( 12.291 -7.033 -11.125) 18.008 5.149 ( 2.793 -16.437 21.167) 26.944 5.293 ( 6.327 3.443 -19.737) 21.011 5.832 ( -2.736 -2.932 -15.586) 16.094 6.079 ( -4.899 18.674 8.246) 20.993 6.381 ( -9.480 4.234 -1.728) 10.526 6.808 ( -5.680 13.786 -5.804) 16.000 6.900 ( -2.975 13.363 -2.948) 14.004 8.102 ( 8.737 -0.046 -6.374) 10.815 8.468 ( 0.347 -7.350 3.309) 8.068 8.911 ( -5.431 -2.781 -8.079) 10.124 9.269 ( -4.002 7.042 10.660) 13.388 9.559 ( -2.573 1.643 2.133) 3.724 9.736 ( -5.632 -1.143 0.684) 5.787 10.018 ( 1.573 8.061 -2.308) 8.531 10.715 ( -15.071 -1.522 10.679) 18.534 11.117 ( -2.479 1.957 6.170) 6.931 11.546 ( 6.907 -4.477 1.818) 8.429 11.881 ( 19.076 -1.898 -0.640) 19.181 15.252 ( -0.832 -6.655 1.932) 6.979 15.410 ( 1.252 -3.721 -1.705) 4.280 20.319 ( -0.810 -0.251 5.598) 5.662 20.604 ( 0.171 7.304 11.302) 13.458 20.934 ( 2.206 -6.566 -10.613) 12.674 21.473 ( -3.445 -6.910 -10.361) 12.922 22.697 ( -11.565 0.359 0.970) 11.612 22.854 ( -2.837 0.987 -1.701) 3.452 23.366 ( 4.440 -1.278 7.310) 8.648 23.887 ( -2.019 -2.461 -5.616) 6.455 26.827 ( 5.875 -0.345 -0.405) 5.899 27.098 ( 14.709 -1.815 -7.259) 16.503 ======================= Grid point 318 (97/186) ======================= q-point: ( 0.30 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.932 ( 12.054 -11.915 15.560) 23.008 3.340 ( 6.193 -14.972 27.158) 31.624 4.031 ( -5.050 -1.254 -12.755) 13.775 4.217 ( 2.226 7.774 -2.101) 8.354 4.796 ( -2.553 -6.805 -11.323) 13.455 5.006 ( 4.252 1.164 -2.281) 4.964 5.432 ( 13.782 -6.092 -20.478) 25.424 5.623 ( 8.624 -9.277 19.619) 23.352 5.751 ( -0.492 -6.907 3.261) 7.654 5.919 ( 3.059 -2.296 2.220) 4.422 6.265 ( -7.811 -2.248 -15.380) 17.396 6.521 ( -5.007 10.336 -5.119) 12.574 6.681 ( -2.766 8.016 -2.136) 8.745 8.211 ( 11.025 -0.729 -2.882) 11.419 8.557 ( -1.302 -2.646 -2.253) 3.711 8.817 ( -6.502 6.526 1.040) 9.271 9.082 ( -4.630 8.199 1.496) 9.534 9.442 ( -7.823 5.561 1.921) 9.788 9.707 ( -4.297 -0.952 1.629) 4.693 9.926 ( 1.204 4.390 -3.892) 5.989 10.632 ( -11.076 -4.685 13.306) 17.935 11.067 ( 1.522 3.634 8.952) 9.781 11.703 ( 2.428 -8.017 0.645) 8.401 12.041 ( 14.501 2.979 -1.160) 14.849 15.341 ( -0.408 -4.257 2.605) 5.008 15.500 ( 1.125 -4.779 -1.353) 5.092 20.328 ( -0.487 -1.715 10.082) 10.239 20.515 ( 0.854 4.023 10.173) 10.973 21.090 ( 4.134 -7.576 -10.675) 13.727 21.533 ( -4.698 -4.477 -12.808) 14.358 22.590 ( -8.548 0.398 0.733) 8.589 22.810 ( -2.052 1.124 -2.292) 3.276 23.447 ( 5.899 -2.012 7.661) 9.876 23.872 ( -5.146 -0.300 -2.811) 5.871 26.898 ( 4.566 -1.468 -0.124) 4.798 27.253 ( 12.211 -0.014 -8.465) 14.858 ======================= Grid point 319 (98/186) ======================= q-point: ( 0.40 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.225 ( 9.504 -9.737 8.369) 15.974 3.651 ( 5.583 -13.342 20.004) 24.685 3.911 ( -10.459 7.017 -3.228) 13.001 4.092 ( 3.032 7.979 3.805) 9.345 4.788 ( 1.591 2.337 -1.673) 3.285 5.010 ( -4.096 -1.019 -4.326) 6.044 5.523 ( -0.676 1.316 -17.691) 17.753 5.675 ( 5.816 -1.730 0.971) 6.145 5.836 ( 6.510 2.502 -6.392) 9.460 6.147 ( -12.386 -3.821 -8.060) 15.264 6.232 ( 5.417 2.322 -5.910) 8.347 6.458 ( -0.839 -1.180 -15.717) 15.784 6.830 ( 14.822 -27.959 18.565) 36.689 8.207 ( -7.382 17.555 14.807) 24.123 8.467 ( 3.362 1.117 -3.822) 5.212 8.760 ( 4.790 -2.979 -2.035) 5.997 8.922 ( -4.723 5.099 -9.176) 11.512 9.236 ( -10.007 7.277 -0.610) 12.388 9.662 ( -4.331 0.595 1.090) 4.506 9.888 ( 1.317 1.711 -3.477) 4.093 10.648 ( -5.917 -6.205 14.930) 17.217 11.016 ( 2.528 4.473 11.103) 12.234 11.861 ( -1.202 -9.024 -0.881) 9.147 12.079 ( 9.359 6.096 -0.866) 11.203 15.393 ( -0.006 -2.102 3.507) 4.089 15.580 ( 0.603 -3.034 -0.910) 3.224 20.366 ( 0.004 -2.660 11.893) 12.187 20.466 ( 0.528 2.713 9.786) 10.169 21.268 ( 5.802 -6.747 -11.315) 14.395 21.524 ( -5.842 -0.457 -13.578) 14.788 22.513 ( -4.531 0.682 0.306) 4.593 22.778 ( -1.184 0.657 -2.819) 3.127 23.550 ( 6.546 -2.456 6.794) 9.749 23.803 ( -6.295 1.248 0.428) 6.432 26.960 ( 2.503 -1.263 0.031) 2.804 27.343 ( 6.611 0.501 -8.393) 10.695 ======================= Grid point 320 (99/186) ======================= q-point: (-0.50 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.414 ( -0.000 -0.000 2.094) 2.094 3.696 ( 0.000 -0.000 6.938) 6.938 3.930 ( 0.000 -0.000 8.087) 8.087 3.939 ( -0.000 0.000 12.645) 12.645 4.791 ( -0.000 -0.000 -2.527) 2.527 4.982 ( 0.000 -0.000 2.252) 2.252 5.498 ( 0.000 -0.000 -19.092) 19.092 5.732 ( -0.000 -0.000 -6.041) 6.041 5.913 ( 0.000 -0.000 -2.234) 2.234 5.966 ( -0.000 0.000 -5.372) 5.372 6.295 ( -0.000 -0.000 -17.062) 17.062 6.455 ( 0.000 -0.000 -15.843) 15.843 7.510 ( -0.000 0.000 20.707) 20.707 7.653 ( 0.000 -0.000 18.575) 18.575 8.539 ( 0.000 -0.000 3.198) 3.198 8.825 ( -0.000 -0.000 -10.177) 10.177 8.886 ( 0.000 -0.000 -7.343) 7.343 9.057 ( -0.000 -0.000 -4.324) 4.324 9.630 ( 0.000 -0.000 1.731) 1.731 9.881 ( 0.000 -0.000 -3.396) 3.396 10.682 ( 0.000 -0.000 15.171) 15.171 10.984 ( 0.000 -0.000 12.020) 12.020 11.954 ( 0.000 -0.000 -2.402) 2.402 12.053 ( 0.000 -0.000 0.209) 0.209 15.412 ( 0.000 -0.000 3.867) 3.867 15.610 ( -0.000 -0.000 -0.707) 0.707 20.403 ( -0.000 -0.000 12.789) 12.789 20.434 ( 0.000 0.000 9.314) 9.314 21.411 ( 0.000 -0.000 -11.944) 11.944 21.445 ( -0.000 0.000 -13.326) 13.326 22.482 ( 0.000 -0.000 0.107) 0.107 22.766 ( -0.000 -0.000 -3.049) 3.049 23.630 ( 0.000 -0.000 5.602) 5.602 23.735 ( -0.000 -0.000 2.435) 2.435 26.984 ( 0.000 -0.000 0.061) 0.061 27.372 ( 0.000 -0.000 -8.227) 8.227 ======================= Grid point 327 (100/186) ======================= q-point: ( 0.10 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.400 ( 26.366 -0.000 24.006) 35.657 2.472 ( 11.034 -0.000 33.119) 34.908 3.945 ( 13.931 -0.000 16.588) 21.662 4.074 ( -2.855 0.000 -22.273) 22.455 4.224 ( 7.184 -0.000 -7.924) 10.696 4.755 ( 13.466 -0.000 -22.429) 26.161 4.895 ( -1.683 0.000 27.864) 27.915 5.494 ( -0.296 0.000 -22.668) 22.670 5.645 ( 1.276 -0.000 -24.867) 24.900 6.388 ( -15.073 0.000 6.665) 16.481 6.696 ( -4.262 0.000 9.178) 10.119 6.964 ( -11.077 0.000 -4.828) 12.084 7.334 ( -5.937 0.000 -3.366) 6.825 8.086 ( 7.987 -0.000 -7.810) 11.171 8.249 ( 5.429 -0.000 9.649) 11.072 8.760 ( -4.450 0.000 -8.581) 9.666 9.356 ( -7.370 0.000 5.907) 9.445 9.663 ( 6.281 -0.000 6.173) 8.806 9.665 ( -9.750 0.000 -1.901) 9.934 10.184 ( -6.493 0.000 0.640) 6.525 10.713 ( -13.610 0.000 9.525) 16.612 11.087 ( -10.016 0.000 -2.721) 10.379 11.618 ( 14.814 -0.000 6.562) 16.203 11.749 ( 26.175 -0.000 -0.461) 26.179 15.082 ( -0.832 0.000 4.306) 4.386 15.353 ( 1.772 -0.000 -2.133) 2.773 20.327 ( -0.583 0.000 1.514) 1.622 20.797 ( 0.565 -0.000 -9.190) 9.207 20.848 ( -1.671 0.000 3.397) 3.786 21.266 ( -4.104 0.000 -4.113) 5.810 22.642 ( -22.942 0.000 5.916) 23.692 22.886 ( -1.119 0.000 -2.192) 2.461 23.351 ( 5.717 -0.000 6.077) 8.344 23.845 ( 5.710 -0.000 -5.898) 8.209 26.813 ( 1.195 -0.000 0.049) 1.196 27.087 ( 24.798 -0.000 -10.251) 26.833 ======================= Grid point 328 (101/186) ======================= q-point: ( 0.20 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.634 ( 22.179 -4.351 22.605) 31.966 2.807 ( 13.908 -13.448 26.468) 32.785 4.012 ( -0.601 1.848 -18.428) 18.530 4.223 ( 18.196 -8.692 6.973) 21.337 4.389 ( 8.742 -6.433 -9.844) 14.653 4.908 ( 11.041 -6.995 11.800) 17.609 4.986 ( 7.658 -5.578 3.349) 10.049 5.425 ( 2.889 5.143 -21.892) 22.673 5.729 ( -0.512 -5.766 -21.398) 22.167 6.185 ( -16.516 4.461 5.759) 18.051 6.466 ( -8.007 14.859 7.394) 18.428 6.841 ( -11.367 1.754 -4.958) 12.525 7.117 ( -7.981 14.241 -3.520) 16.700 8.194 ( 10.356 -1.424 -9.684) 14.249 8.370 ( 4.426 -5.787 7.521) 10.471 8.765 ( -6.363 -5.677 -5.625) 10.215 9.273 ( -6.420 1.788 4.322) 7.943 9.549 ( -9.646 0.765 1.557) 9.801 9.704 ( 1.871 1.468 4.507) 5.096 10.075 ( -8.368 2.582 0.778) 8.792 10.593 ( -8.625 1.226 9.856) 13.154 11.032 ( -7.205 -3.805 -2.709) 8.587 11.693 ( 14.208 6.150 8.362) 17.596 12.040 ( 20.639 -2.904 -1.818) 20.921 15.125 ( -1.232 -5.599 3.980) 6.980 15.392 ( 3.313 -1.549 -1.889) 4.117 20.313 ( -0.873 0.583 5.369) 5.471 20.738 ( -1.136 7.622 5.123) 9.253 20.851 ( 1.427 -4.580 -9.081) 10.271 21.301 ( -5.105 -7.607 -7.201) 11.652 22.457 ( -20.736 -4.595 7.488) 22.520 22.861 ( -1.951 0.995 -3.028) 3.737 23.423 ( 8.376 0.010 6.243) 10.446 23.893 ( 3.985 0.904 -5.174) 6.593 26.838 ( 1.575 -1.258 1.067) 2.281 27.324 ( 23.971 2.351 -14.422) 28.073 ======================= Grid point 329 (102/186) ======================= q-point: ( 0.30 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.963 ( 22.125 -5.603 13.920) 26.733 3.159 ( 9.339 -14.810 27.082) 32.249 3.977 ( -1.850 0.535 -13.135) 13.276 4.408 ( 10.214 5.770 -3.756) 12.318 4.618 ( 3.802 -10.194 -6.848) 12.856 5.089 ( 2.755 2.341 0.042) 3.616 5.332 ( 13.109 -22.755 9.954) 28.084 5.476 ( 10.846 -3.549 -11.866) 16.463 5.776 ( -0.372 -0.104 -6.417) 6.429 5.963 ( -5.616 4.206 2.842) 7.570 6.189 ( -6.328 4.555 -3.929) 8.731 6.655 ( -9.067 8.293 -6.824) 14.055 6.776 ( -8.961 12.050 -3.267) 15.368 8.333 ( 12.992 -0.481 -7.383) 14.951 8.490 ( 1.096 -4.750 1.935) 5.245 8.783 ( -6.562 -3.021 -1.763) 7.436 9.143 ( -6.813 6.106 2.907) 9.599 9.430 ( -10.420 2.338 1.011) 10.727 9.657 ( -3.143 2.142 4.596) 5.965 9.962 ( -5.700 1.634 0.377) 5.942 10.503 ( -6.186 -0.099 10.603) 12.276 11.059 ( -2.817 -4.558 -0.949) 5.442 11.719 ( 9.119 4.121 9.384) 13.718 12.230 ( 14.526 1.741 -2.052) 14.773 15.224 ( -1.742 -6.897 3.750) 8.042 15.472 ( 4.813 -2.716 -1.588) 5.750 20.300 ( -0.885 -0.471 10.818) 10.864 20.615 ( 0.934 6.085 4.878) 7.855 20.986 ( 2.622 -8.304 -8.856) 12.420 21.381 ( -5.265 -7.169 -10.664) 13.886 22.367 ( -17.627 -6.899 5.477) 19.705 22.819 ( -2.169 1.249 -3.504) 4.306 23.518 ( 10.299 0.028 6.073) 11.956 23.888 ( 2.116 3.069 -2.830) 4.680 26.883 ( 0.871 -2.233 1.773) 2.981 27.473 ( 18.481 5.276 -14.250) 23.926 ======================= Grid point 330 (103/186) ======================= q-point: ( 0.40 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.244 ( 16.961 -4.307 7.544) 19.056 3.510 ( 11.017 -12.680 22.458) 28.045 3.946 ( -0.016 2.838 -5.910) 6.556 4.319 ( 5.590 12.435 2.188) 13.808 4.734 ( -4.460 -4.583 -4.146) 7.622 4.998 ( -4.965 4.133 3.830) 7.510 5.478 ( -4.349 -1.875 -14.372) 15.132 5.683 ( -1.668 -0.175 -3.786) 4.141 5.899 ( 0.627 -9.523 -5.946) 11.245 5.952 ( 3.489 -0.263 -7.517) 8.292 6.331 ( 11.510 -10.739 -2.704) 15.972 6.395 ( -5.962 8.248 -7.351) 12.554 6.661 ( 7.144 -8.224 6.256) 12.562 8.413 ( 3.789 7.497 8.745) 12.126 8.536 ( 1.343 1.647 -5.815) 6.191 8.753 ( 1.141 -1.404 1.592) 2.410 8.954 ( -5.967 5.773 -5.895) 10.183 9.240 ( -11.988 5.934 -1.716) 13.486 9.596 ( -5.872 -0.731 3.772) 7.017 9.904 ( -2.797 0.713 -0.354) 2.909 10.491 ( -4.195 -4.981 12.645) 14.223 11.102 ( 1.948 -0.134 3.229) 3.773 11.748 ( 1.684 -1.355 7.139) 7.459 12.280 ( 9.005 5.947 -2.234) 11.020 15.314 ( -1.779 -5.409 4.307) 7.139 15.569 ( 5.226 -2.215 -1.326) 5.829 20.317 ( -0.510 -2.221 13.838) 14.024 20.541 ( 1.677 4.279 5.243) 6.972 21.178 ( 3.954 -9.487 -9.865) 14.246 21.428 ( -5.093 -4.047 -12.401) 14.003 22.326 ( -15.159 -7.550 3.227) 17.240 22.780 ( -1.825 0.731 -3.748) 4.233 23.626 ( 10.832 0.132 5.293) 12.056 23.838 ( 1.805 4.623 0.181) 4.966 26.924 ( -1.023 -2.413 2.040) 3.322 27.520 ( 12.218 7.032 -12.335) 18.732 ======================= Grid point 331 (104/186) ======================= q-point: ( 0.50 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.444 ( 9.023 -1.348 2.703) 9.515 3.753 ( 7.644 -1.300 10.900) 13.376 3.902 ( 8.212 1.191 8.633) 11.975 4.129 ( 1.175 13.454 6.084) 14.812 4.707 ( -10.705 -1.596 1.507) 10.928 4.959 ( 0.276 -4.156 5.567) 6.952 5.467 ( -4.087 -1.112 -17.553) 18.057 5.673 ( -3.656 -1.894 -7.487) 8.544 5.835 ( -14.965 0.287 -6.425) 16.289 5.994 ( 4.205 1.275 -6.968) 8.238 6.343 ( 4.506 0.691 -16.379) 17.001 6.424 ( -1.598 -2.980 -16.732) 17.070 7.276 ( 26.554 -27.904 20.273) 43.528 7.998 ( -9.835 29.638 17.816) 35.953 8.557 ( 1.376 1.037 3.043) 3.497 8.825 ( -3.413 -0.565 -5.506) 6.503 8.881 ( 1.251 1.067 -7.920) 8.089 9.055 ( -1.697 0.787 -7.181) 7.421 9.578 ( -3.714 -3.287 2.795) 5.693 9.864 ( -3.500 0.270 -2.066) 4.073 10.581 ( -1.621 -8.143 14.470) 16.683 11.090 ( 5.024 5.592 8.705) 11.502 11.798 ( -5.170 -6.181 3.028) 8.608 12.217 ( 4.472 8.839 -2.628) 10.248 15.371 ( -1.610 -3.185 4.756) 5.946 15.640 ( 4.588 0.078 -1.213) 4.746 20.357 ( -0.702 -2.619 14.297) 14.552 20.493 ( 1.841 3.434 6.902) 7.926 21.356 ( -1.143 -5.285 -10.285) 11.620 21.431 ( 0.804 -2.425 -14.081) 14.311 22.326 ( -11.931 -8.540 1.767) 14.779 22.762 ( -0.978 -0.356 -3.876) 4.013 23.681 ( 2.830 3.933 5.420) 7.270 23.816 ( 9.607 2.240 1.522) 9.982 26.938 ( -3.731 -1.784 1.906) 4.553 27.485 ( 6.321 7.684 -10.311) 14.328 ======================= Grid point 332 (105/186) ======================= q-point: (-0.40 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.377 ( 0.716 11.926 7.434) 14.072 3.839 ( -0.545 9.294 14.192) 16.973 3.929 ( 9.531 0.171 6.897) 11.766 4.020 ( 6.324 -1.874 2.422) 7.026 4.658 ( -7.528 -5.821 5.520) 11.001 5.058 ( 3.064 -1.623 -6.992) 7.805 5.454 ( -5.364 -2.979 -15.256) 16.443 5.595 ( -12.881 1.314 -1.897) 13.086 5.722 ( -5.599 -3.983 -6.625) 9.545 6.127 ( 4.832 -7.756 -6.121) 10.999 6.305 ( -0.358 4.396 -14.951) 15.588 6.473 ( 3.073 0.115 -20.207) 20.440 7.294 ( -8.741 36.592 20.912) 43.043 7.985 ( 18.208 -22.453 16.463) 33.267 8.461 ( -5.050 5.072 0.265) 7.162 8.750 ( -5.917 1.570 -2.931) 6.788 8.886 ( 3.140 -2.716 -8.200) 9.191 9.193 ( 6.322 -7.061 -4.006) 10.290 9.641 ( 1.103 -4.918 0.427) 5.059 9.832 ( -3.987 -1.391 -2.918) 5.133 10.714 ( 2.291 -6.208 15.025) 16.417 11.027 ( 4.977 6.718 12.493) 15.033 11.840 ( -9.549 -6.723 0.113) 11.679 12.075 ( 0.879 10.470 -3.057) 10.942 15.391 ( -1.427 -0.907 4.565) 4.868 15.654 ( 3.400 3.039 -1.453) 4.786 20.378 ( -1.425 -0.644 12.651) 12.747 20.465 ( 1.961 1.731 9.692) 10.039 21.296 ( -5.823 3.390 -10.511) 12.485 21.556 ( 5.561 -3.474 -15.485) 16.816 22.385 ( -7.656 -9.748 1.243) 12.457 22.774 ( 0.264 -1.463 -3.740) 4.024 23.591 ( -0.758 6.082 7.752) 9.882 23.910 ( 12.123 1.367 -0.717) 12.220 26.907 ( -6.530 -0.648 1.625) 6.760 27.390 ( 1.316 7.570 -8.647) 11.567 ======================= Grid point 333 (106/186) ======================= q-point: (-0.30 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.129 ( -0.051 17.201 16.234) 23.652 3.552 ( -3.759 15.474 23.442) 28.339 3.980 ( -7.226 -3.533 -2.463) 8.412 4.228 ( 18.493 -3.174 -4.714) 19.347 4.759 ( -0.819 -8.824 2.031) 9.091 5.029 ( -3.017 4.207 -14.387) 15.290 5.335 ( -14.583 1.335 -15.542) 21.354 5.595 ( -2.998 -2.131 1.716) 4.059 5.764 ( -1.332 -5.265 4.839) 7.273 6.077 ( -4.568 11.531 -10.165) 16.036 6.386 ( 6.829 -2.464 -6.368) 9.657 6.486 ( 2.959 -0.890 -16.117) 16.410 6.671 ( -3.522 19.319 13.870) 24.042 8.156 ( -6.602 3.499 -0.170) 7.474 8.591 ( 9.050 -6.308 -0.365) 11.038 8.729 ( 2.561 -6.939 5.981) 9.512 8.978 ( -0.143 -5.468 -4.499) 7.082 9.385 ( 5.086 -9.105 -0.689) 10.452 9.710 ( -1.946 -2.100 -0.931) 3.011 9.852 ( 0.207 -2.955 -2.528) 3.894 10.829 ( 10.068 0.349 14.473) 17.634 10.990 ( 0.950 0.281 13.725) 13.760 11.819 ( -10.372 -1.657 -1.099) 10.561 11.888 ( -3.246 8.896 -3.318) 10.034 15.376 ( -1.055 1.057 3.680) 3.971 15.605 ( 2.043 5.680 -2.041) 6.372 20.357 ( -0.648 1.246 10.102) 10.199 20.471 ( 0.678 -0.666 12.522) 12.558 21.163 ( -4.064 5.716 -10.598) 12.709 21.626 ( 3.847 1.043 -15.775) 16.271 22.501 ( -3.437 -9.839 0.892) 10.460 22.816 ( 1.737 -2.125 -3.308) 4.299 23.478 ( -1.136 5.526 9.249) 10.833 23.990 ( 10.102 2.773 -4.075) 11.240 26.833 ( -8.303 0.250 1.543) 8.449 27.257 ( -2.025 7.266 -7.242) 10.457 ======================= Grid point 334 (107/186) ======================= q-point: (-0.20 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.781 ( -3.164 20.320 23.670) 31.356 3.258 ( -1.948 15.484 29.605) 33.466 3.996 ( -4.041 -4.763 -11.231) 12.851 4.355 ( 10.792 6.703 -10.183) 16.282 4.776 ( -9.385 10.389 -3.622) 14.462 4.932 ( 4.448 5.696 -9.752) 12.138 5.147 ( -11.353 0.678 -17.893) 21.202 5.439 ( -5.410 13.896 23.021) 27.429 5.836 ( 4.298 -1.567 -1.360) 4.773 5.904 ( -0.874 -2.261 -4.381) 5.007 6.420 ( 5.988 -0.644 -12.232) 13.634 6.569 ( -0.592 -10.868 -2.823) 11.244 6.722 ( 1.348 -11.841 -2.307) 12.138 8.045 ( -4.502 1.648 -5.382) 7.208 8.588 ( 1.364 5.409 0.556) 5.606 8.957 ( 5.747 -3.881 -4.106) 8.059 9.101 ( -1.910 -11.726 8.132) 14.397 9.587 ( 6.563 -3.169 0.823) 7.334 9.726 ( -3.079 -7.445 -0.589) 8.078 9.882 ( -1.318 -0.429 -1.614) 2.128 10.909 ( 12.525 3.353 11.586) 17.389 11.042 ( -0.812 -5.553 14.051) 15.130 11.663 ( -1.360 9.939 -3.666) 10.680 11.738 ( -12.267 1.519 -0.920) 12.395 15.335 ( -0.406 2.894 2.416) 3.792 15.506 ( 0.736 6.959 -2.578) 7.458 20.335 ( 0.151 0.865 6.809) 6.865 20.506 ( -0.104 -3.482 14.817) 15.221 21.027 ( -1.791 6.461 -11.125) 12.989 21.602 ( 1.863 4.731 -13.739) 14.650 22.643 ( -0.571 -8.520 0.242) 8.543 22.878 ( 2.725 -2.246 -2.905) 4.573 23.384 ( -0.992 3.970 9.017) 9.902 24.005 ( 5.505 4.951 -7.346) 10.430 26.745 ( -7.082 0.266 1.829) 7.319 27.107 ( -2.623 7.070 -5.707) 9.457 ======================= Grid point 335 (108/186) ======================= q-point: (-0.10 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.418 ( -0.000 17.846 28.584) 33.698 2.946 ( -0.000 20.348 30.541) 36.698 4.007 ( -0.000 3.736 -7.165) 8.080 4.263 ( -0.000 8.192 -15.392) 17.437 4.405 ( -0.000 16.842 9.092) 19.139 4.763 ( -0.000 11.625 -18.409) 21.772 5.140 ( -0.000 13.664 14.611) 20.004 5.221 ( 0.000 -9.273 -16.959) 19.329 5.860 ( -0.000 5.465 -19.655) 20.401 6.131 ( 0.000 -23.241 10.508) 25.506 6.492 ( 0.000 -3.233 -0.248) 3.242 6.870 ( 0.000 -21.082 -5.223) 21.720 6.919 ( 0.000 -9.370 -3.289) 9.930 8.009 ( -0.000 0.114 -6.023) 6.024 8.469 ( -0.000 8.994 4.177) 9.917 8.975 ( -0.000 3.716 -9.936) 10.608 9.296 ( 0.000 -10.365 13.452) 16.982 9.584 ( -0.000 2.801 1.375) 3.120 9.832 ( -0.000 2.864 -1.603) 3.282 9.957 ( 0.000 -14.065 -1.048) 14.104 10.958 ( 0.000 -0.336 8.515) 8.522 11.129 ( 0.000 -4.773 13.342) 14.170 11.504 ( -0.000 8.830 -7.058) 11.304 11.585 ( -0.000 5.593 3.383) 6.537 15.259 ( -0.000 6.022 1.561) 6.221 15.403 ( -0.000 4.620 -2.345) 5.181 20.328 ( -0.000 0.136 2.978) 2.981 20.603 ( 0.000 -7.914 14.831) 16.810 20.909 ( -0.000 5.952 -11.478) 12.929 21.510 ( -0.000 6.820 -10.443) 12.472 22.772 ( 0.000 -6.315 -0.467) 6.332 22.933 ( 0.000 -1.636 -2.797) 3.240 23.325 ( -0.000 2.186 7.648) 7.954 23.926 ( -0.000 6.841 -8.262) 10.726 26.707 ( 0.000 -0.816 1.689) 1.876 26.973 ( -0.000 6.393 -4.016) 7.550 ======================= Grid point 338 (109/186) ======================= q-point: ( 0.20 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.750 ( 14.877 -0.000 29.059) 32.646 2.927 ( 23.272 -0.000 16.040) 28.265 4.052 ( 2.093 -0.000 -20.431) 20.538 4.360 ( 19.962 -0.000 -1.649) 20.030 4.436 ( 15.027 -0.000 -2.932) 15.310 4.928 ( 9.130 -0.000 36.755) 37.872 5.087 ( 17.221 -0.000 -16.341) 23.740 5.493 ( 1.061 -0.000 -21.194) 21.220 5.673 ( 1.197 -0.000 -21.738) 21.771 6.028 ( -18.619 0.000 6.492) 19.718 6.541 ( -10.423 0.000 6.209) 12.132 6.687 ( -15.277 0.000 -4.362) 15.888 7.149 ( -12.043 0.000 -2.745) 12.351 8.256 ( 5.814 -0.000 -13.602) 14.792 8.373 ( 5.700 -0.000 8.647) 10.357 8.657 ( -3.545 0.000 -0.132) 3.547 9.238 ( -3.559 0.000 -0.663) 3.620 9.425 ( -13.519 0.000 0.359) 13.524 9.753 ( 2.213 -0.000 7.605) 7.920 9.991 ( -10.220 0.000 2.193) 10.453 10.539 ( -6.002 0.000 9.371) 11.128 10.915 ( -7.089 0.000 -4.444) 8.366 11.914 ( 14.010 -0.000 9.729) 17.057 12.213 ( 18.958 -0.000 -2.107) 19.075 15.063 ( -0.902 0.000 5.647) 5.719 15.419 ( 4.786 -0.000 -2.373) 5.342 20.314 ( -0.557 0.000 6.911) 6.933 20.772 ( -2.911 0.000 3.622) 4.647 20.847 ( 1.604 -0.000 -10.459) 10.582 21.158 ( -5.949 0.000 -5.317) 7.979 22.217 ( -17.235 0.000 10.353) 20.106 22.842 ( -3.128 0.000 -4.164) 5.208 23.522 ( 10.656 -0.000 5.694) 12.082 23.954 ( 5.014 -0.000 -4.929) 7.031 26.840 ( 1.292 -0.000 2.971) 3.240 27.588 ( 21.930 -0.000 -19.217) 29.159 ======================= Grid point 339 (110/186) ======================= q-point: ( 0.30 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.006 ( 13.077 -11.901 24.836) 30.488 3.159 ( 20.697 -1.481 14.403) 25.259 4.040 ( 5.831 4.841 -11.056) 13.405 4.522 ( 3.788 -3.325 -1.269) 5.197 4.633 ( 16.229 -0.081 -8.922) 18.520 5.118 ( 10.541 -2.237 19.590) 22.359 5.249 ( 12.461 -3.491 -8.409) 15.432 5.541 ( 9.086 -1.427 -13.673) 16.478 5.720 ( -0.076 -4.126 -13.789) 14.393 5.883 ( -8.515 -2.420 1.620) 8.999 6.287 ( -7.706 10.798 3.657) 13.761 6.583 ( -12.895 -1.743 -4.226) 13.681 6.898 ( -13.313 12.072 -3.789) 18.366 8.337 ( -1.674 -6.920 -12.254) 14.173 8.463 ( 4.365 -3.335 6.376) 8.416 8.668 ( 0.837 -1.913 2.028) 2.911 9.178 ( -3.381 3.802 -1.775) 5.388 9.307 ( -12.486 -1.678 -1.054) 12.642 9.714 ( -1.527 5.163 8.219) 9.826 9.901 ( -6.524 -0.154 3.031) 7.195 10.463 ( -6.107 1.377 9.108) 11.052 10.907 ( -5.388 -6.207 -4.576) 9.407 11.963 ( 12.077 8.613 11.557) 18.805 12.389 ( 13.679 0.139 -1.339) 13.745 15.101 ( -0.970 -4.976 5.996) 7.852 15.489 ( 5.976 -1.695 -2.598) 6.734 20.298 ( -0.601 0.938 11.512) 11.566 20.720 ( -0.500 4.309 1.235) 4.511 20.876 ( 0.644 -4.706 -7.213) 8.636 21.190 ( -5.130 -8.109 -9.470) 13.482 22.099 ( -14.170 -3.963 8.944) 17.219 22.804 ( -3.348 0.448 -4.834) 5.897 23.634 ( 11.619 0.166 5.080) 12.682 23.980 ( 4.405 2.639 -3.438) 6.180 26.861 ( 0.656 -1.015 4.348) 4.513 27.746 ( 16.740 4.412 -19.220) 25.867 ======================= Grid point 340 (111/186) ======================= q-point: ( 0.40 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.320 ( 10.202 -8.205 14.131) 19.264 3.460 ( 21.267 -9.613 15.686) 28.120 4.030 ( 8.192 4.276 -1.535) 9.368 4.553 ( 0.541 2.635 3.176) 4.162 4.691 ( 5.794 6.391 -1.999) 8.855 5.037 ( -5.604 7.535 3.117) 9.895 5.384 ( -5.541 -2.698 -10.597) 12.259 5.664 ( 3.766 -0.959 -9.895) 10.631 5.750 ( -6.470 -3.299 -8.418) 11.118 6.005 ( 11.871 -5.403 -10.140) 16.521 6.237 ( 0.684 -4.096 -3.236) 5.265 6.519 ( -3.284 6.987 -0.260) 7.725 6.599 ( 2.910 -3.973 2.487) 5.517 8.419 ( -8.793 -6.677 -1.249) 11.111 8.556 ( 4.214 -2.123 -0.213) 4.723 8.732 ( 4.614 -2.372 0.916) 5.269 9.034 ( -4.683 7.546 -0.289) 8.886 9.192 ( -9.923 2.650 -5.463) 11.633 9.579 ( -4.307 5.450 7.746) 10.405 9.867 ( -2.819 -0.834 3.904) 4.887 10.390 ( -6.251 -1.114 9.549) 11.467 11.005 ( -2.639 -9.156 -3.881) 10.288 11.890 ( 7.416 10.576 13.085) 18.387 12.462 ( 8.579 4.573 -1.546) 9.844 15.193 ( -1.124 -6.351 6.281) 9.003 15.590 ( 6.313 -2.398 -2.481) 7.195 20.287 ( -0.445 -0.611 15.413) 15.431 20.641 ( 1.579 5.108 -0.264) 5.353 21.022 ( 0.309 -10.716 -5.242) 11.933 21.286 ( -3.242 -7.326 -13.386) 15.600 22.047 ( -13.497 -5.950 6.709) 16.204 22.764 ( -2.908 0.372 -5.168) 5.942 23.747 ( 11.073 0.454 4.242) 11.866 23.959 ( 4.559 4.549 -1.021) 6.521 26.881 ( -0.831 -1.235 5.021) 5.237 27.780 ( 11.521 7.963 -16.785) 21.860 ======================= Grid point 341 (112/186) ======================= q-point: ( 0.50 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.522 ( 10.632 -2.977 5.552) 12.358 3.822 ( 18.516 -6.463 14.536) 24.411 4.050 ( 8.871 3.974 4.365) 10.655 4.386 ( -2.184 13.572 3.979) 14.310 4.627 ( -3.011 4.671 7.250) 9.136 4.855 ( -7.380 -0.511 11.074) 13.318 5.388 ( -4.533 -2.876 -9.541) 10.947 5.641 ( -2.800 1.547 -18.979) 19.246 5.698 ( -9.450 -0.385 -10.657) 14.249 6.054 ( -5.710 5.646 -7.891) 11.258 6.294 ( -0.653 -7.189 -20.625) 21.852 6.394 ( 1.504 -1.051 -13.852) 13.973 7.136 ( 30.852 -22.029 19.959) 42.842 8.317 ( -7.886 12.200 10.282) 17.797 8.567 ( -4.970 0.070 4.118) 6.455 8.770 ( -2.242 2.159 1.724) 3.558 8.948 ( 5.067 1.313 -4.603) 6.970 9.052 ( -2.350 1.952 -12.653) 13.017 9.482 ( -5.309 -0.859 5.455) 7.660 9.838 ( -3.109 1.355 1.465) 3.694 10.410 ( -4.307 -7.812 12.169) 15.088 11.142 ( 1.781 -6.336 -1.155) 6.682 11.765 ( 0.114 7.731 12.244) 14.480 12.413 ( 4.438 8.367 -2.662) 9.837 15.284 ( -1.041 -5.160 6.580) 8.427 15.684 ( 5.459 -1.198 -2.225) 6.015 20.309 ( -0.270 -2.177 16.576) 16.721 20.578 ( 1.790 4.212 1.999) 4.994 21.210 ( -1.641 -9.859 -6.626) 11.992 21.376 ( 1.182 -5.193 -15.541) 16.429 22.035 ( -12.830 -8.476 4.953) 16.155 22.737 ( -2.057 -0.362 -5.307) 5.703 23.799 ( 4.915 4.439 4.537) 8.027 23.958 ( 9.504 2.136 0.261) 9.745 26.881 ( -2.811 -0.685 5.070) 5.838 27.714 ( 6.857 10.100 -13.956) 18.542 ======================= Grid point 342 (113/186) ======================= q-point: (-0.40 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.602 ( 9.204 6.650 4.948) 12.386 3.963 ( 6.260 6.356 9.393) 12.955 4.099 ( 6.782 2.876 7.144) 10.262 4.145 ( 2.818 9.762 7.848) 12.839 4.490 ( -6.186 -1.865 13.616) 15.072 4.975 ( 1.286 -10.640 4.791) 11.739 5.328 ( -9.665 -0.909 -9.773) 13.775 5.524 ( -10.940 4.147 -7.031) 13.650 5.633 ( -3.203 0.471 -18.642) 18.922 6.021 ( -0.192 -7.221 -7.152) 10.165 6.316 ( -3.442 -0.555 -23.879) 24.132 6.509 ( 5.790 -2.241 -18.901) 19.895 7.795 ( 17.299 -6.653 17.699) 25.628 7.855 ( 1.629 16.936 16.691) 23.834 8.489 ( -8.392 2.485 4.450) 9.819 8.695 ( -5.023 0.476 0.898) 5.125 8.914 ( 2.957 2.554 -5.699) 6.910 9.140 ( 3.580 -4.335 -10.218) 11.662 9.529 ( -0.734 -7.702 1.731) 7.928 9.774 ( -4.358 0.493 -1.198) 4.547 10.554 ( -1.300 -11.142 14.324) 18.193 11.227 ( 8.552 3.414 6.248) 11.128 11.651 ( -9.113 -0.663 6.543) 11.239 12.274 ( 1.509 10.780 -4.102) 11.632 15.345 ( -0.837 -2.984 6.365) 7.079 15.731 ( 3.750 1.330 -2.159) 4.527 20.344 ( -0.497 -1.866 15.688) 15.806 20.530 ( 1.580 3.278 5.494) 6.590 21.267 ( -4.198 -1.046 -8.773) 9.781 21.520 ( 4.802 -6.487 -16.916) 18.743 22.095 ( -9.706 -11.971 4.208) 15.976 22.738 ( -1.076 -1.643 -5.152) 5.513 23.718 ( 1.550 7.432 7.167) 10.441 24.047 ( 10.168 0.560 -1.511) 10.295 26.846 ( -4.400 0.416 4.759) 6.495 27.580 ( 3.018 10.902 -11.403) 16.062 ======================= Grid point 343 (114/186) ======================= q-point: (-0.30 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.481 ( 7.826 17.472 14.957) 24.294 3.772 ( -5.409 12.427 11.759) 17.943 3.915 ( -3.965 6.231 6.402) 9.774 4.326 ( 15.388 -7.557 2.233) 17.288 4.576 ( -2.755 -8.566 11.108) 14.295 5.056 ( -0.771 2.719 -13.990) 14.273 5.228 ( -12.212 1.319 -12.820) 17.755 5.498 ( 1.840 -9.665 3.624) 10.485 5.608 ( -5.482 -3.375 -9.930) 11.834 6.196 ( 2.977 -2.085 -13.513) 13.993 6.263 ( -2.965 -3.519 -12.152) 12.994 6.551 ( 2.795 1.882 -21.972) 22.229 7.191 ( -2.169 36.682 19.900) 41.789 8.193 ( 1.536 3.102 4.657) 5.803 8.473 ( 5.845 -14.579 7.904) 17.583 8.681 ( -1.346 -1.444 1.271) 2.348 8.916 ( -0.278 -0.591 -3.290) 3.354 9.257 ( 1.001 -7.904 -6.778) 10.460 9.638 ( -1.712 -3.541 -1.229) 4.120 9.787 ( 0.145 -5.204 -1.124) 5.326 10.741 ( 0.392 -10.579 15.260) 18.572 11.188 ( 8.984 10.597 14.169) 19.843 11.617 ( -10.324 -6.306 -0.095) 12.098 12.082 ( 0.048 12.027 -5.473) 13.214 15.370 ( -0.518 -0.774 5.425) 5.505 15.712 ( 1.747 4.078 -2.405) 5.046 20.357 ( -0.550 -0.285 13.194) 13.209 20.497 ( 0.932 2.061 9.584) 9.847 21.208 ( -2.452 3.261 -9.486) 10.326 21.643 ( 2.578 -2.806 -18.440) 18.829 22.250 ( -4.266 -13.624 3.480) 14.695 22.773 ( -0.170 -3.020 -4.591) 5.498 23.595 ( 0.463 7.718 9.469) 12.225 24.118 ( 6.415 1.448 -4.358) 7.890 26.783 ( -4.077 1.541 4.386) 6.183 27.410 ( 0.523 10.504 -9.202) 13.975 ======================= Grid point 344 (115/186) ======================= q-point: (-0.20 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.155 ( -0.000 22.710 21.914) 31.559 3.508 ( -0.000 14.805 24.037) 28.231 3.881 ( 0.000 -4.077 -5.690) 6.999 4.564 ( -0.000 4.466 -2.596) 5.166 4.644 ( 0.000 -11.482 -0.904) 11.518 4.986 ( 0.000 -0.524 -11.636) 11.648 5.153 ( -0.000 2.898 -17.153) 17.397 5.542 ( -0.000 4.063 3.092) 5.106 5.765 ( 0.000 -11.950 5.839) 13.301 6.036 ( -0.000 13.079 -12.195) 17.883 6.439 ( 0.000 -6.335 -14.188) 15.538 6.549 ( 0.000 -4.136 -10.821) 11.585 6.628 ( -0.000 22.156 13.986) 26.201 8.081 ( -0.000 5.259 -3.116) 6.113 8.668 ( -0.000 2.539 -0.135) 2.543 8.821 ( 0.000 -16.941 9.976) 19.660 8.943 ( 0.000 -3.150 -3.493) 4.704 9.447 ( 0.000 -12.957 -4.652) 13.767 9.651 ( 0.000 -0.231 -0.248) 0.339 9.872 ( 0.000 -2.612 -0.407) 2.643 10.912 ( 0.000 -8.511 15.517) 17.698 11.073 ( -0.000 7.627 14.138) 16.064 11.643 ( 0.000 -2.767 -0.117) 2.769 11.872 ( -0.000 12.034 -6.395) 13.628 15.365 ( -0.000 1.011 3.943) 4.071 15.630 ( -0.000 6.273 -2.747) 6.849 20.349 ( -0.000 0.683 9.873) 9.897 20.480 ( -0.000 0.146 13.329) 13.329 21.120 ( -0.000 5.309 -10.427) 11.701 21.667 ( -0.000 1.405 -16.971) 17.029 22.456 ( 0.000 -12.036 1.789) 12.168 22.833 ( 0.000 -3.669 -3.820) 5.297 23.472 ( -0.000 6.422 10.112) 11.979 24.112 ( -0.000 3.360 -6.941) 7.712 26.729 ( -0.000 1.720 3.781) 4.154 27.239 ( -0.000 9.208 -7.259) 11.725 ======================= Grid point 349 (116/186) ======================= q-point: ( 0.30 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.010 ( 9.856 -0.000 24.419) 26.333 3.346 ( 18.870 -0.000 13.211) 23.035 4.206 ( 13.484 -0.000 -8.654) 16.022 4.504 ( -0.550 0.000 11.127) 11.140 4.773 ( 14.455 -0.000 -12.164) 18.892 5.265 ( -5.769 0.000 -10.140) 11.666 5.307 ( 16.097 -0.000 2.065) 16.229 5.656 ( 19.612 -0.000 -3.677) 19.953 5.671 ( -3.677 0.000 -13.254) 13.755 5.807 ( 3.984 -0.000 -0.636) 4.035 6.315 ( -10.393 0.000 -3.469) 10.956 6.413 ( -7.930 0.000 3.201) 8.551 6.862 ( -15.600 0.000 -3.018) 15.889 8.188 ( -10.819 0.000 -9.993) 14.728 8.419 ( -3.162 0.000 9.116) 9.649 8.735 ( 9.719 -0.000 -0.860) 9.757 9.138 ( -13.779 0.000 -0.317) 13.783 9.216 ( 0.766 -0.000 -6.276) 6.322 9.754 ( -1.592 0.000 9.480) 9.613 9.847 ( -3.014 0.000 3.970) 4.985 10.406 ( -7.653 0.000 9.148) 11.927 10.788 ( -5.764 0.000 -5.535) 7.991 12.169 ( 10.909 -0.000 12.252) 16.405 12.515 ( 11.199 -0.000 0.312) 11.203 15.050 ( -0.368 0.000 7.379) 7.388 15.535 ( 6.177 -0.000 -3.450) 7.075 20.307 ( -0.101 0.000 13.537) 13.538 20.710 ( -2.862 0.000 4.319) 5.181 20.886 ( 1.985 -0.000 -12.214) 12.374 21.047 ( -4.663 0.000 -8.781) 9.943 21.950 ( -9.676 0.000 8.842) 13.108 22.773 ( -3.374 0.000 -5.683) 6.609 23.751 ( 11.183 -0.000 4.258) 11.966 24.048 ( 4.115 -0.000 -3.226) 5.229 26.859 ( 0.495 -0.000 6.421) 6.440 27.936 ( 12.579 -0.000 -20.707) 24.229 ======================= Grid point 350 (117/186) ======================= q-point: ( 0.40 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.203 ( 7.040 -11.487 22.254) 26.014 3.556 ( 17.105 -3.329 10.022) 20.103 4.284 ( 17.567 7.780 1.253) 19.254 4.507 ( -3.197 -2.134 15.109) 15.590 4.889 ( 5.137 5.113 -10.097) 12.429 5.112 ( -4.442 2.456 -3.490) 6.160 5.377 ( 1.548 6.722 -8.746) 11.138 5.620 ( -7.060 -2.500 -8.506) 11.334 5.751 ( 5.288 4.409 -13.200) 14.888 6.004 ( 10.071 -7.067 -12.213) 17.335 6.197 ( -4.652 1.657 -8.386) 9.731 6.501 ( 1.287 -3.770 7.037) 8.087 6.650 ( 3.775 2.471 3.893) 5.959 8.155 ( -12.007 -8.773 -4.006) 15.401 8.413 ( -11.432 -7.322 7.067) 15.305 8.822 ( 10.039 1.559 -2.765) 10.529 9.013 ( -9.116 0.446 -0.817) 9.163 9.209 ( 0.651 2.383 -8.249) 8.611 9.667 ( -2.510 7.087 11.119) 13.422 9.844 ( 0.994 -0.398 5.416) 5.520 10.313 ( -8.696 0.723 8.785) 12.382 10.806 ( -4.596 -8.002 -5.909) 10.958 12.170 ( 8.114 10.328 13.569) 18.884 12.601 ( 7.445 1.869 0.849) 7.723 15.088 ( -0.298 -4.454 7.961) 9.127 15.613 ( 5.675 -1.860 -3.698) 7.024 20.290 ( -0.166 1.259 16.881) 16.929 20.720 ( 0.532 -0.143 -0.876) 1.035 20.864 ( -1.878 -2.419 -4.796) 5.690 21.119 ( -1.677 -8.805 -14.209) 16.800 21.877 ( -8.037 -1.405 7.694) 11.215 22.739 ( -2.765 0.180 -6.130) 6.727 23.857 ( 9.557 0.139 3.409) 10.148 24.064 ( 3.752 2.421 -1.910) 4.856 26.864 ( -0.239 -0.240 7.593) 7.601 27.998 ( 8.548 4.987 -19.428) 21.804 ======================= Grid point 351 (118/186) ======================= q-point: ( 0.50 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.498 ( 7.877 -12.300 17.162) 22.536 3.803 ( 10.189 -8.782 6.348) 14.874 4.319 ( 19.115 10.096 8.198) 23.119 4.502 ( -2.349 2.066 12.909) 13.283 4.674 ( -7.380 7.497 6.708) 12.476 4.996 ( -3.352 18.238 5.601) 19.371 5.288 ( 0.209 -5.448 -7.852) 9.559 5.636 ( -3.542 3.443 -9.175) 10.420 5.661 ( -1.760 1.041 -27.984) 28.058 6.047 ( -11.708 4.415 -12.170) 17.455 6.206 ( 0.867 -2.274 -19.283) 19.436 6.356 ( -1.465 -3.134 -11.648) 12.151 7.134 ( 33.744 -16.250 18.865) 41.936 8.199 ( -12.067 -9.170 3.916) 15.654 8.409 ( -15.946 -6.729 4.782) 17.956 8.857 ( 1.637 3.952 1.289) 4.467 8.976 ( 3.693 -1.702 -5.504) 6.843 9.142 ( 2.222 6.273 -9.508) 11.606 9.489 ( -4.522 7.872 10.183) 13.642 9.862 ( 2.441 1.814 5.527) 6.309 10.241 ( -7.930 -4.020 9.570) 13.062 10.954 ( -2.211 -12.417 -5.463) 13.745 12.008 ( 4.052 14.774 14.805) 21.304 12.586 ( 3.936 6.401 -0.557) 7.535 15.179 ( -0.340 -5.897 8.243) 10.141 15.703 ( 4.334 -2.318 -3.367) 5.957 20.281 ( -0.112 -0.643 18.434) 18.446 20.675 ( 1.601 5.027 -3.542) 6.355 20.992 ( -2.557 -12.271 -1.429) 12.616 21.268 ( 0.859 -8.626 -17.347) 19.393 21.830 ( -7.751 -2.625 7.152) 10.868 22.714 ( -1.811 -0.037 -6.353) 6.606 23.915 ( 5.017 2.833 3.294) 6.637 24.066 ( 5.478 1.494 -0.621) 5.712 26.858 ( -1.218 0.241 7.843) 7.941 27.945 ( 5.055 8.933 -17.029) 19.884 ======================= Grid point 352 (119/186) ======================= q-point: ( 0.60 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.747 ( 12.341 -3.918 8.828) 15.672 3.997 ( -7.267 -7.582 4.193) 11.308 4.265 ( 5.325 14.169 9.360) 17.797 4.333 ( 10.669 9.213 10.620) 17.649 4.586 ( -7.424 13.748 13.269) 20.499 4.766 ( 0.106 -11.518 18.570) 21.853 5.311 ( -2.342 7.686 -10.708) 13.387 5.485 ( -6.431 0.769 -10.010) 11.923 5.657 ( 0.425 2.482 -27.094) 27.211 5.895 ( -5.839 -2.421 -8.550) 10.632 6.236 ( -2.550 -4.416 -28.491) 28.944 6.493 ( 3.893 -5.319 -16.274) 17.559 7.736 ( 26.411 -16.527 15.772) 34.920 8.182 ( -5.142 6.576 9.458) 12.615 8.291 ( -17.948 -3.818 9.251) 20.549 8.750 ( -0.073 7.459 3.313) 8.163 9.012 ( 2.341 4.198 -2.653) 5.491 9.127 ( 3.679 -0.790 -14.762) 15.234 9.393 ( -2.887 -4.132 5.840) 7.715 9.795 ( -0.992 5.487 1.712) 5.833 10.332 ( -2.552 -11.604 12.607) 17.323 11.168 ( 0.681 -12.734 -4.199) 13.425 11.761 ( -0.290 15.594 15.458) 21.959 12.469 ( 1.325 9.803 -2.759) 10.270 15.271 ( -0.256 -4.881 8.010) 9.383 15.767 ( 2.269 -0.851 -2.891) 3.773 20.306 ( -0.072 -2.010 18.071) 18.183 20.606 ( 0.839 4.166 0.372) 4.266 21.160 ( -1.843 -8.194 -5.708) 10.154 21.433 ( 2.678 -8.286 -18.774) 20.695 21.836 ( -5.949 -7.154 7.803) 12.143 22.707 ( -0.815 -0.770 -6.282) 6.381 23.858 ( 1.391 6.598 5.375) 8.623 24.121 ( 4.814 -0.691 -1.400) 5.061 26.831 ( -1.543 1.107 7.338) 7.580 27.803 ( 2.084 11.303 -14.379) 18.408 ======================= Grid point 353 (120/186) ======================= q-point: (-0.30 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.829 ( -0.000 11.745 16.540) 20.286 3.849 ( -0.000 6.387 -3.752) 7.408 4.107 ( -0.000 12.250 8.439) 14.876 4.291 ( 0.000 -0.719 10.495) 10.520 4.454 ( 0.000 -3.637 19.250) 19.591 5.030 ( 0.000 -12.903 6.472) 14.435 5.158 ( -0.000 3.570 -12.441) 12.943 5.397 ( -0.000 2.966 -3.212) 4.372 5.606 ( -0.000 2.919 -25.439) 25.606 6.017 ( 0.000 -11.799 -7.212) 13.828 6.277 ( 0.000 -0.600 -26.617) 26.624 6.572 ( 0.000 -1.470 -20.418) 20.471 7.783 ( -0.000 31.186 16.949) 35.494 8.191 ( 0.000 -17.460 11.673) 21.003 8.269 ( 0.000 -1.732 8.284) 8.463 8.655 ( -0.000 1.760 3.263) 3.707 8.952 ( -0.000 3.707 -2.272) 4.347 9.164 ( 0.000 -3.190 -11.954) 12.372 9.530 ( 0.000 -9.003 0.447) 9.014 9.725 ( -0.000 0.300 -0.773) 0.829 10.538 ( 0.000 -12.606 14.401) 19.139 11.391 ( 0.000 -11.346 -3.195) 11.788 11.480 ( -0.000 15.143 16.268) 22.225 12.288 ( -0.000 11.533 -4.677) 12.445 15.337 ( 0.000 -2.832 7.023) 7.573 15.772 ( -0.000 1.654 -2.584) 3.068 20.338 ( 0.000 -1.539 16.180) 16.253 20.548 ( -0.000 3.168 5.071) 5.979 21.222 ( 0.000 -0.650 -8.266) 8.292 21.579 ( 0.000 -6.222 -19.964) 20.911 21.984 ( 0.000 -13.235 7.023) 14.983 22.726 ( 0.000 -1.991 -5.684) 6.023 23.736 ( -0.000 7.979 7.946) 11.261 24.159 ( 0.000 -0.294 -3.096) 3.110 26.795 ( -0.000 1.806 6.230) 6.486 27.610 ( -0.000 11.829 -11.728) 16.657 ======================= Grid point 360 (121/186) ======================= q-point: ( 0.40 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.151 ( 4.500 -0.000 25.862) 26.251 3.685 ( 13.617 -0.000 7.476) 15.534 4.444 ( -3.980 0.000 25.613) 25.920 4.559 ( 19.307 -0.000 -0.505) 19.314 5.007 ( 8.103 -0.000 -14.475) 16.589 5.019 ( -11.668 0.000 -3.935) 12.313 5.486 ( -14.199 0.000 2.778) 14.468 5.525 ( 8.365 -0.000 -19.569) 21.282 5.859 ( -0.668 0.000 -12.588) 12.606 6.006 ( 8.031 -0.000 -17.174) 18.959 6.196 ( 0.086 -0.000 -14.800) 14.801 6.436 ( -12.748 0.000 0.227) 12.750 6.801 ( 29.875 -0.000 16.187) 33.979 7.953 ( -10.215 0.000 -4.781) 11.278 8.162 ( -22.653 0.000 10.345) 24.903 8.935 ( -5.556 0.000 -0.253) 5.562 8.939 ( 9.072 -0.000 -3.664) 9.784 9.231 ( -0.189 0.000 -10.740) 10.742 9.719 ( -1.183 0.000 13.710) 13.761 9.875 ( 5.196 -0.000 5.778) 7.771 10.229 ( -9.519 0.000 8.717) 12.907 10.682 ( -4.422 0.000 -7.200) 8.450 12.343 ( 5.988 -0.000 13.844) 15.084 12.678 ( 5.148 -0.000 2.816) 5.868 15.047 ( 0.031 -0.000 8.816) 8.816 15.646 ( 4.226 -0.000 -4.463) 6.147 20.308 ( 0.126 -0.000 18.966) 18.967 20.663 ( -1.650 0.000 4.017) 4.343 20.920 ( 1.268 -0.000 -12.610) 12.673 20.977 ( -2.213 0.000 -12.862) 13.051 21.808 ( -4.546 0.000 7.171) 8.490 22.716 ( -2.044 0.000 -6.595) 6.905 23.943 ( 7.084 -0.000 2.658) 7.567 24.115 ( 2.389 -0.000 -1.900) 3.053 26.862 ( -0.113 0.000 9.199) 9.200 28.113 ( 5.360 -0.000 -19.885) 20.595 ======================= Grid point 361 (122/186) ======================= q-point: ( 0.50 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.303 ( 2.761 -12.749 26.509) 29.545 3.812 ( 7.129 -1.852 2.519) 7.784 4.437 ( -2.158 -3.327 29.785) 30.047 4.666 ( 12.946 6.993 -3.632) 15.155 4.823 ( 0.761 11.505 2.813) 11.868 5.140 ( -0.878 0.043 -7.061) 7.115 5.228 ( -11.146 5.339 3.810) 12.933 5.609 ( -0.991 -2.825 -27.170) 27.334 5.807 ( 10.115 8.254 -8.883) 15.791 6.033 ( -4.383 3.713 -21.508) 22.262 6.192 ( -9.571 4.714 -12.774) 16.644 6.280 ( 0.472 -4.320 -10.903) 11.737 7.254 ( 35.729 -10.376 16.599) 40.740 7.894 ( -19.812 -5.547 8.265) 22.172 8.054 ( -14.470 -13.398 0.820) 19.737 8.890 ( -1.581 0.738 0.055) 1.745 9.016 ( 5.729 0.063 -3.242) 6.583 9.212 ( -1.009 1.404 -13.761) 13.869 9.629 ( -0.901 9.011 15.718) 18.140 9.938 ( 7.633 0.491 7.064) 10.411 10.121 ( -9.825 0.487 8.140) 12.768 10.732 ( -2.211 -9.311 -7.359) 12.072 12.282 ( 2.860 11.293 14.561) 18.648 12.699 ( 2.367 2.632 2.351) 4.250 15.086 ( -0.004 -4.200 9.149) 10.067 15.697 ( 2.296 -1.960 -4.400) 5.336 20.289 ( -0.008 1.454 19.905) 19.958 20.740 ( 1.149 -6.999 1.185) 7.191 20.816 ( -2.100 3.908 -7.405) 8.633 21.108 ( 0.092 -9.786 -16.598) 19.268 21.768 ( -2.739 0.509 6.970) 7.506 22.700 ( -1.029 0.040 -6.800) 6.878 23.992 ( 3.386 0.999 2.306) 4.217 24.123 ( 1.784 0.950 -1.192) 2.346 26.857 ( -0.282 0.387 9.659) 9.671 28.108 ( 2.539 5.128 -18.848) 19.698 ======================= Grid point 362 (123/186) ======================= q-point: (-0.40 -0.60 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.600 ( 0.000 -17.779 24.260) 30.077 3.878 ( 0.000 -2.131 -1.898) 2.854 4.523 ( -0.000 13.222 -4.511) 13.970 4.523 ( 0.000 -6.696 25.007) 25.888 4.722 ( -0.000 8.962 18.587) 20.635 4.761 ( -0.000 19.318 9.201) 21.397 5.354 ( 0.000 -9.013 -10.888) 14.135 5.542 ( -0.000 11.301 -20.719) 23.600 5.732 ( -0.000 7.851 -19.252) 20.791 5.864 ( -0.000 2.967 -8.289) 8.804 6.143 ( 0.000 -3.576 -29.883) 30.097 6.407 ( 0.000 -6.775 -13.417) 15.030 7.748 ( 0.000 -7.408 14.779) 16.531 7.832 ( 0.000 -17.585 12.998) 21.867 8.208 ( 0.000 -8.284 0.539) 8.302 8.856 ( -0.000 3.434 1.123) 3.613 9.051 ( 0.000 -0.531 -2.955) 3.002 9.175 ( -0.000 2.145 -16.528) 16.667 9.430 ( -0.000 10.644 15.218) 18.571 9.917 ( -0.000 7.349 5.164) 8.982 10.130 ( 0.000 -8.835 10.319) 13.584 10.928 ( 0.000 -13.734 -6.179) 15.060 12.050 ( -0.000 16.258 15.325) 22.343 12.626 ( -0.000 7.032 -0.126) 7.033 15.176 ( 0.000 -5.744 8.973) 10.653 15.749 ( 0.000 -2.315 -3.711) 4.374 20.281 ( 0.000 -0.643 19.496) 19.506 20.694 ( -0.000 5.542 -4.846) 7.362 20.959 ( 0.000 -12.935 -0.542) 12.946 21.283 ( 0.000 -10.021 -18.820) 21.322 21.747 ( 0.000 -0.626 7.878) 7.903 22.695 ( 0.000 -0.163 -6.778) 6.780 23.962 ( -0.000 4.261 3.309) 5.395 24.131 ( 0.000 -0.526 -0.980) 1.112 26.843 ( -0.000 0.945 9.006) 9.056 27.994 ( -0.000 9.185 -16.933) 19.264 ======================= Grid point 373 (124/186) ======================= q-point: (-0.50 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.198 ( -0.000 0.000 29.235) 29.235 3.838 ( 0.000 -0.000 1.264) 1.264 4.392 ( -0.000 0.000 34.519) 34.519 4.783 ( -0.000 0.000 -16.443) 16.443 4.976 ( 0.000 -0.000 14.376) 14.376 5.095 ( 0.000 -0.000 -14.776) 14.776 5.224 ( 0.000 -0.000 7.669) 7.669 5.573 ( -0.000 0.000 -27.719) 27.719 5.960 ( -0.000 0.000 -3.889) 3.889 6.065 ( 0.000 -0.000 -29.649) 29.649 6.166 ( -0.000 0.000 -6.316) 6.316 6.240 ( 0.000 -0.000 -11.903) 11.903 7.450 ( -0.000 0.000 11.774) 11.774 7.637 ( 0.000 -0.000 15.749) 15.749 7.839 ( 0.000 -0.000 -2.754) 2.754 8.885 ( 0.000 -0.000 0.205) 0.205 9.052 ( 0.000 -0.000 -2.057) 2.057 9.211 ( -0.000 0.000 -14.887) 14.887 9.711 ( 0.000 -0.000 16.480) 16.480 10.006 ( 0.000 -0.000 6.236) 6.236 10.057 ( -0.000 0.000 8.705) 8.705 10.632 ( 0.000 -0.000 -8.383) 8.383 12.405 ( 0.000 -0.000 14.386) 14.386 12.729 ( 0.000 -0.000 3.758) 3.758 15.048 ( 0.000 -0.000 9.369) 9.369 15.691 ( 0.000 -0.000 -4.846) 4.846 20.310 ( 0.000 -0.000 21.073) 21.073 20.646 ( 0.000 -0.000 3.889) 3.889 20.934 ( 0.000 -0.000 -12.715) 12.715 20.955 ( 0.000 -0.000 -14.640) 14.640 21.762 ( 0.000 -0.000 6.613) 6.613 22.695 ( 0.000 -0.000 -6.895) 6.895 24.017 ( 0.000 -0.000 1.949) 1.949 24.140 ( 0.000 -0.000 -1.409) 1.409 26.860 ( 0.000 -0.000 10.283) 10.283 28.166 ( 0.000 -0.000 -19.417) 19.417 ======================= Grid point 420 (125/186) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 186 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.695 ( 0.000 0.000 30.166) 30.166 2.979 ( 0.000 0.000 29.307) 29.307 3.724 ( 0.000 0.000 -22.145) 22.145 3.807 ( 0.000 0.000 -5.330) 5.330 3.902 ( 0.000 0.000 -16.388) 16.388 4.108 ( 0.000 0.000 -20.639) 20.639 5.136 ( 0.000 0.000 -13.070) 13.070 5.206 ( 0.000 0.000 -16.693) 16.693 5.829 ( 0.000 0.000 54.410) 54.410 6.703 ( 0.000 0.000 7.479) 7.479 6.904 ( 0.000 0.000 8.373) 8.373 6.981 ( 0.000 0.000 -6.281) 6.281 7.278 ( 0.000 0.000 -6.602) 6.602 7.672 ( 0.000 0.000 -28.654) 28.654 8.364 ( 0.000 0.000 7.067) 7.067 8.591 ( 0.000 0.000 -8.470) 8.470 9.557 ( 0.000 0.000 3.050) 3.050 9.697 ( 0.000 0.000 -3.863) 3.863 9.778 ( 0.000 0.000 13.343) 13.343 10.174 ( 0.000 0.000 -6.241) 6.241 11.096 ( 0.000 0.000 3.280) 3.280 11.215 ( 0.000 0.000 -3.400) 3.400 11.447 ( 0.000 0.000 6.411) 6.411 11.490 ( 0.000 0.000 4.649) 4.649 15.163 ( 0.000 0.000 3.535) 3.535 15.287 ( 0.000 0.000 -2.812) 2.812 20.350 ( 0.000 0.000 2.410) 2.410 20.584 ( 0.000 0.000 -9.385) 9.385 20.988 ( 0.000 0.000 6.284) 6.284 21.219 ( 0.000 0.000 -5.177) 5.177 22.878 ( 0.000 0.000 -0.539) 0.539 22.901 ( 0.000 0.000 -1.815) 1.815 23.415 ( 0.000 0.000 6.460) 6.460 23.661 ( 0.000 0.000 -5.711) 5.711 26.771 ( 0.000 0.000 -0.422) 0.422 26.780 ( 0.000 0.000 -0.837) 0.837 ======================= Grid point 421 (126/186) ======================= q-point: ( 0.10 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.795 ( 5.447 -7.024 27.179) 28.596 3.162 ( 4.450 -16.279 26.517) 31.432 3.719 ( -7.244 -3.592 -19.931) 21.508 3.875 ( 8.930 -2.787 -8.198) 12.438 4.037 ( 3.754 -12.550 -13.241) 18.626 4.255 ( 14.298 -8.507 -18.657) 24.998 5.075 ( 0.238 4.091 -9.553) 10.395 5.294 ( 0.050 -7.024 -19.108) 20.358 5.836 ( 0.629 -1.043 52.577) 52.591 6.612 ( -9.781 5.652 7.951) 13.815 6.741 ( -1.118 15.821 8.916) 18.195 6.913 ( -5.283 4.758 -5.680) 9.100 7.096 ( -0.103 17.191 -7.048) 18.580 7.690 ( 2.804 -0.351 -28.890) 29.027 8.438 ( 1.038 -5.969 5.662) 8.293 8.658 ( -0.921 -6.555 -8.269) 10.592 9.550 ( -6.593 -2.527 5.200) 8.769 9.701 ( -4.334 -1.575 -0.737) 4.670 9.750 ( 4.617 4.401 9.094) 11.108 10.097 ( 0.248 8.094 -5.735) 9.923 11.007 ( -13.147 -0.661 5.900) 14.425 11.180 ( -11.490 -3.803 -3.169) 12.511 11.516 ( 15.386 2.092 6.904) 16.993 11.641 ( 15.568 -4.029 1.146) 16.121 15.202 ( 0.036 -4.199 2.994) 5.158 15.309 ( 0.773 -2.165 -2.485) 3.386 20.366 ( 0.571 -1.588 3.199) 3.617 20.618 ( 0.526 -3.421 -9.584) 10.190 20.939 ( -1.239 4.047 8.530) 9.522 21.242 ( -1.905 -3.133 -7.077) 7.970 22.829 ( -4.974 2.436 0.186) 5.542 22.870 ( -4.344 0.254 -1.610) 4.640 23.443 ( 2.497 -1.478 6.815) 7.407 23.704 ( 2.271 -2.782 -6.414) 7.351 26.779 ( 4.701 0.620 0.660) 4.788 26.849 ( 5.706 -2.897 -2.852) 7.006 ======================= Grid point 422 (127/186) ======================= q-point: ( 0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.004 ( 4.946 -10.095 20.569) 23.441 3.506 ( 4.730 -15.626 21.168) 26.733 3.730 ( -6.154 -5.980 -17.057) 19.094 4.056 ( 12.161 -4.411 -6.857) 14.641 4.351 ( 6.899 -15.501 -8.629) 19.035 4.655 ( 18.537 -15.902 -14.618) 28.463 5.020 ( 0.612 2.880 -4.591) 5.454 5.425 ( -0.089 -7.968 -20.898) 22.366 5.898 ( 1.881 -3.747 38.465) 38.693 6.313 ( -3.807 16.095 17.143) 23.821 6.430 ( -10.931 12.965 2.227) 17.104 6.698 ( -5.288 12.013 -3.729) 13.644 6.832 ( -1.770 10.829 -3.291) 11.456 7.752 ( 6.762 -1.751 -29.060) 29.888 8.535 ( -0.108 -3.940 3.863) 5.519 8.739 ( -2.744 -4.027 -7.538) 8.976 9.474 ( -8.173 3.851 9.421) 13.053 9.637 ( -4.142 3.251 3.593) 6.374 9.748 ( -1.086 -0.519 1.388) 1.837 9.946 ( 2.760 9.678 -4.939) 11.211 10.905 ( -13.131 -3.466 8.736) 16.147 11.147 ( -9.586 -4.947 -2.570) 11.088 11.644 ( 13.962 0.751 7.324) 15.784 11.858 ( 16.796 -0.991 -2.220) 16.971 15.294 ( 0.147 -5.865 2.241) 6.280 15.376 ( 1.515 -4.052 -1.868) 4.712 20.416 ( 1.111 -3.119 5.228) 6.189 20.700 ( 0.212 -4.662 -7.908) 9.183 20.863 ( -0.200 2.533 9.605) 9.936 21.274 ( -3.040 -3.213 -10.234) 11.149 22.724 ( -7.388 1.865 1.782) 7.826 22.814 ( -3.734 1.301 -2.376) 4.613 23.508 ( 3.554 -2.261 7.186) 8.329 23.771 ( 0.574 -2.721 -6.253) 6.844 26.838 ( 6.021 -0.835 1.566) 6.277 26.976 ( 9.266 -2.373 -5.380) 10.974 ======================= Grid point 423 (128/186) ======================= q-point: ( 0.30 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.215 ( 3.578 -9.014 13.654) 16.748 3.770 ( -0.522 -8.421 -2.086) 8.691 3.811 ( 1.568 -9.619 6.707) 11.831 4.222 ( 9.106 -1.042 2.219) 9.430 4.621 ( 4.028 -8.109 -4.708) 10.205 4.981 ( 0.378 2.165 -0.006) 2.198 5.073 ( 13.663 -10.527 -13.427) 21.858 5.556 ( 0.244 -6.336 -19.219) 20.238 5.833 ( -4.123 7.851 5.674) 10.528 6.056 ( -3.498 12.771 -1.170) 13.293 6.271 ( 1.117 1.062 13.470) 13.558 6.456 ( -8.086 8.675 -1.059) 11.906 6.759 ( 5.147 -8.873 15.464) 18.557 7.908 ( 10.902 -6.477 -26.274) 29.174 8.566 ( -1.254 -0.322 3.011) 3.278 8.741 ( -2.706 0.057 -5.419) 6.058 9.238 ( -9.190 13.118 10.423) 19.110 9.476 ( -9.304 7.904 0.124) 12.209 9.730 ( -2.148 0.573 1.333) 2.592 9.850 ( 2.702 4.795 -3.898) 6.745 10.874 ( -9.983 -6.569 11.246) 16.410 11.150 ( -4.984 -3.516 -0.769) 6.148 11.767 ( 9.061 -1.419 5.871) 10.890 11.997 ( 13.195 2.623 -3.601) 13.927 15.391 ( 0.438 -4.676 2.463) 5.303 15.471 ( 1.566 -4.761 -1.653) 5.277 20.492 ( 1.451 -3.982 7.760) 8.842 20.725 ( -1.868 0.454 7.486) 7.729 20.906 ( 3.588 -5.038 -4.998) 7.952 21.285 ( -3.515 -1.813 -12.595) 13.201 22.624 ( -6.140 1.625 2.664) 6.888 22.755 ( -2.910 1.458 -3.290) 4.628 23.587 ( 3.778 -2.502 6.686) 8.077 23.802 ( -1.608 -1.520 -4.301) 4.836 26.917 ( 5.262 -1.450 2.225) 5.894 27.101 ( 8.530 -1.350 -6.947) 11.084 ======================= Grid point 424 (129/186) ======================= q-point: ( 0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.392 ( 3.961 -7.117 9.363) 12.410 3.808 ( -4.762 -0.984 -7.738) 9.139 4.019 ( 3.710 -8.041 15.470) 17.825 4.258 ( 3.949 3.698 10.605) 11.905 4.745 ( 2.089 -3.962 -3.122) 5.460 4.933 ( -0.458 3.362 -0.764) 3.478 5.274 ( 5.343 -3.253 -7.460) 9.736 5.611 ( -1.364 0.596 -11.188) 11.287 5.736 ( 4.279 0.811 -1.968) 4.779 5.929 ( -4.243 -1.470 -8.739) 9.825 6.154 ( -2.063 9.296 -4.006) 10.331 6.219 ( -6.819 7.335 -6.956) 12.194 7.269 ( 16.302 -29.468 24.444) 41.613 8.185 ( 10.757 -9.943 -18.513) 23.607 8.480 ( -3.112 9.139 7.779) 12.399 8.713 ( 0.799 1.275 -4.508) 4.753 8.887 ( -10.296 12.201 6.633) 17.287 9.192 ( -12.325 11.279 -4.478) 17.296 9.694 ( -1.767 0.838 2.278) 3.002 9.818 ( 1.636 1.925 -3.675) 4.460 10.915 ( -5.572 -6.483 12.108) 14.821 11.154 ( -1.162 -0.365 2.263) 2.570 11.874 ( 3.332 -3.480 2.697) 5.521 12.040 ( 7.953 4.378 -3.275) 9.651 15.459 ( 0.450 -2.557 3.141) 4.075 15.555 ( 0.925 -3.040 -1.684) 3.596 20.574 ( 1.406 -3.644 10.033) 10.766 20.690 ( -1.363 1.481 11.737) 11.909 21.049 ( 4.331 -5.867 -10.354) 12.664 21.259 ( -3.837 0.754 -13.412) 13.971 22.549 ( -3.514 1.203 3.175) 4.886 22.710 ( -1.658 0.967 -4.057) 4.488 23.666 ( 3.635 -2.152 5.049) 6.583 23.793 ( -2.797 -0.136 -1.450) 3.153 26.984 ( 3.028 -1.082 2.539) 4.097 27.186 ( 4.902 -0.505 -7.458) 8.939 ======================= Grid point 425 (130/186) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.500 ( -0.000 -0.000 7.000) 7.000 3.758 ( 0.000 -0.000 -0.966) 0.966 4.129 ( 0.000 -0.000 10.618) 10.618 4.224 ( 0.000 0.000 12.859) 12.859 4.804 ( 0.000 -0.000 3.222) 3.222 4.881 ( -0.000 0.000 -8.511) 8.511 5.342 ( -0.000 -0.000 1.229) 1.229 5.562 ( 0.000 -0.000 -10.337) 10.337 5.867 ( 0.000 -0.000 -4.110) 4.110 5.876 ( -0.000 0.000 -4.438) 4.438 5.997 ( -0.000 -0.000 -10.058) 10.058 6.139 ( 0.000 -0.000 -14.369) 14.369 7.893 ( -0.000 0.000 17.652) 17.652 7.998 ( 0.000 -0.000 15.711) 15.711 8.576 ( 0.000 -0.000 -1.598) 1.598 8.597 ( -0.000 0.000 -11.729) 11.729 8.772 ( 0.000 -0.000 -2.217) 2.217 8.960 ( -0.000 0.000 -6.024) 6.024 9.677 ( 0.000 -0.000 2.874) 2.874 9.810 ( 0.000 -0.000 -3.787) 3.787 10.951 ( 0.000 -0.000 11.924) 11.924 11.147 ( 0.000 -0.000 3.962) 3.962 11.931 ( 0.000 -0.000 0.478) 0.478 12.032 ( 0.000 -0.000 -2.301) 2.301 15.484 ( 0.000 -0.000 3.443) 3.443 15.587 ( -0.000 -0.000 -1.697) 1.697 20.634 ( -0.000 0.000 10.954) 10.954 20.651 ( 0.000 -0.000 12.253) 12.253 21.178 ( 0.000 -0.000 -11.736) 11.736 21.179 ( -0.000 0.000 -13.382) 13.382 22.520 ( 0.000 -0.000 3.381) 3.381 22.692 ( -0.000 -0.000 -4.376) 4.376 23.717 ( 0.000 -0.000 3.337) 3.337 23.767 ( -0.000 -0.000 0.698) 0.698 27.009 ( 0.000 -0.000 2.608) 2.608 27.216 ( 0.000 -0.000 -7.518) 7.518 ======================= Grid point 432 (131/186) ======================= q-point: ( 0.10 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.844 ( 13.148 -0.000 21.316) 25.044 3.071 ( 8.372 -0.000 28.040) 29.263 3.639 ( -3.128 0.000 -21.272) 21.501 3.956 ( 11.708 -0.000 -8.732) 14.606 3.990 ( 11.219 -0.000 -8.863) 14.298 4.362 ( 19.866 -0.000 -17.882) 26.729 5.133 ( -0.275 0.000 -12.958) 12.961 5.216 ( 0.998 -0.000 -17.243) 17.272 5.834 ( 0.662 -0.000 54.215) 54.219 6.532 ( -14.679 0.000 7.637) 16.547 6.853 ( -10.908 0.000 -6.247) 12.570 6.879 ( -4.310 0.000 8.732) 9.738 7.242 ( -4.644 0.000 -5.666) 7.326 7.717 ( 4.200 -0.000 -30.146) 30.437 8.404 ( 3.885 -0.000 6.146) 7.271 8.591 ( 0.536 -0.000 -6.551) 6.573 9.448 ( -8.888 0.000 4.613) 10.014 9.611 ( -7.948 0.000 -3.415) 8.651 9.849 ( 4.690 -0.000 10.355) 11.368 10.147 ( -3.690 0.000 -4.214) 5.601 10.867 ( -12.328 0.000 6.239) 13.817 11.028 ( -11.185 0.000 -3.100) 11.607 11.736 ( 16.808 -0.000 4.760) 17.469 11.772 ( 21.663 -0.000 1.829) 21.740 15.164 ( 0.167 -0.000 4.074) 4.077 15.303 ( 1.715 -0.000 -2.951) 3.413 20.361 ( 1.192 -0.000 2.643) 2.899 20.595 ( 1.053 -0.000 -9.412) 9.471 20.958 ( -2.812 0.000 6.040) 6.663 21.178 ( -3.907 0.000 -4.917) 6.280 22.730 ( -14.354 0.000 3.543) 14.784 22.840 ( -3.623 0.000 -2.484) 4.393 23.474 ( 5.679 -0.000 6.478) 8.615 23.726 ( 5.439 -0.000 -6.307) 8.328 26.823 ( 3.947 -0.000 1.079) 4.092 26.939 ( 14.725 -0.000 -5.480) 15.711 ======================= Grid point 433 (132/186) ======================= q-point: ( 0.20 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.000 ( 14.020 -2.188 15.679) 21.147 3.301 ( 7.508 -13.448 22.491) 27.259 3.647 ( 2.925 -1.185 -16.537) 16.836 4.111 ( 12.041 -4.051 -13.110) 18.256 4.240 ( 16.891 -9.219 -0.868) 19.263 4.647 ( 21.342 -8.387 -15.251) 27.539 5.084 ( 0.669 3.552 -10.503) 11.108 5.300 ( 0.749 -6.412 -18.963) 20.031 5.857 ( 0.915 -1.771 47.452) 47.494 6.329 ( -17.217 4.094 8.100) 19.463 6.622 ( -7.950 12.210 6.074) 15.786 6.771 ( -8.984 4.927 0.344) 10.253 7.028 ( -7.244 14.377 -5.353) 16.965 7.791 ( 6.570 -2.209 -30.942) 31.709 8.489 ( 4.017 -3.366 4.734) 7.062 8.645 ( 0.326 -4.284 -5.069) 6.644 9.365 ( -10.810 -1.387 5.347) 12.140 9.539 ( -11.035 -2.209 -2.370) 11.501 9.848 ( 3.708 4.675 8.308) 10.229 10.061 ( -4.379 3.877 -2.211) 6.253 10.759 ( -9.302 -0.178 7.147) 11.732 10.964 ( -8.948 -4.442 -4.005) 10.763 11.853 ( 16.581 4.565 7.414) 18.728 12.017 ( 18.945 -1.606 -1.318) 19.058 15.205 ( 0.400 -4.149 4.109) 5.853 15.345 ( 2.873 -2.168 -2.861) 4.597 20.390 ( 1.788 -1.524 3.674) 4.361 20.638 ( 1.357 -3.182 -9.223) 9.850 20.895 ( -2.807 2.657 7.400) 8.349 21.170 ( -4.981 -3.708 -6.546) 9.022 22.591 ( -14.971 -1.707 6.302) 16.333 22.792 ( -4.636 0.536 -4.039) 6.172 23.546 ( 7.545 -0.298 6.286) 9.825 23.784 ( 5.274 0.114 -5.864) 7.888 26.875 ( 4.939 -0.731 2.911) 5.779 27.098 ( 16.035 0.437 -9.136) 18.460 ======================= Grid point 434 (133/186) ======================= q-point: ( 0.30 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.195 ( 13.390 -3.795 10.699) 17.554 3.598 ( 3.490 -12.880 10.132) 16.755 3.748 ( 10.023 -3.530 -2.402) 10.894 4.298 ( 11.484 -2.561 -8.437) 14.478 4.547 ( 10.764 -7.619 2.115) 13.356 4.997 ( 8.219 -5.561 -10.771) 14.646 5.061 ( 7.268 -1.997 -8.886) 11.652 5.436 ( 1.374 -7.844 -19.140) 20.731 5.850 ( -6.821 1.465 16.329) 17.757 6.072 ( -17.374 5.736 4.545) 18.853 6.413 ( 4.020 7.793 21.462) 23.185 6.559 ( -4.961 10.039 -1.899) 11.358 6.739 ( -5.339 4.495 3.268) 7.706 7.932 ( 10.393 -4.509 -30.403) 32.445 8.563 ( 2.784 -1.034 3.871) 4.879 8.709 ( 0.205 -2.415 -4.182) 4.834 9.245 ( -12.758 2.669 6.487) 14.559 9.432 ( -14.191 0.887 -1.721) 14.322 9.775 ( 0.857 5.893 6.866) 9.089 9.956 ( -1.504 4.408 -1.456) 4.880 10.699 ( -7.207 -3.161 9.397) 12.257 10.994 ( -5.726 -7.318 -5.269) 10.682 11.913 ( 12.241 5.366 9.743) 16.540 12.178 ( 13.982 2.509 -3.610) 14.657 15.300 ( 0.531 -5.743 3.931) 6.980 15.431 ( 3.979 -3.510 -2.555) 5.889 20.449 ( 2.148 -2.921 5.940) 6.959 20.701 ( -0.187 -1.885 -1.916) 2.695 20.865 ( 0.614 -2.242 1.832) 2.960 21.189 ( -5.043 -4.124 -9.267) 11.327 22.490 ( -13.691 -3.261 6.809) 15.635 22.735 ( -4.701 0.448 -5.111) 6.959 23.631 ( 8.434 -0.148 5.534) 10.089 23.820 ( 4.238 1.351 -4.077) 6.034 26.940 ( 4.261 -1.058 4.240) 6.103 27.229 ( 13.496 2.071 -10.785) 17.400 ======================= Grid point 435 (134/186) ======================= q-point: ( 0.40 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.388 ( 12.313 -3.297 8.264) 15.191 3.779 ( 5.170 -3.761 -5.213) 8.249 3.960 ( 10.655 -6.123 15.277) 19.607 4.388 ( 7.357 4.033 2.523) 8.761 4.704 ( 3.810 -3.399 1.370) 5.287 4.987 ( -0.185 3.287 -4.809) 5.828 5.224 ( -0.143 -4.883 -5.702) 7.508 5.555 ( -1.969 -4.018 -15.638) 16.266 5.774 ( -5.338 -0.589 -1.032) 5.469 5.835 ( -6.859 1.869 -3.509) 7.928 6.229 ( -11.623 6.054 -3.056) 13.456 6.307 ( -6.121 11.739 -4.138) 13.870 7.035 ( 22.557 -20.798 26.839) 40.764 8.160 ( 12.842 -7.598 -25.353) 29.418 8.584 ( 2.887 2.210 4.969) 6.158 8.742 ( 2.489 -0.385 -3.156) 4.038 8.982 ( -13.539 12.134 7.193) 19.552 9.208 ( -15.947 6.943 -2.673) 17.597 9.689 ( -2.558 2.479 5.503) 6.555 9.875 ( -0.832 3.875 -2.787) 4.845 10.734 ( -4.623 -7.688 11.880) 14.887 11.083 ( -1.928 -6.715 -4.676) 8.407 11.919 ( 5.859 4.281 9.617) 12.047 12.215 ( 8.243 6.055 -4.653) 11.237 15.398 ( 0.488 -4.669 4.217) 6.310 15.533 ( 4.231 -2.934 -2.442) 5.698 20.528 ( 2.082 -3.529 8.553) 9.483 20.697 ( -1.019 0.614 8.705) 8.786 20.977 ( 3.351 -6.750 -8.888) 11.652 21.200 ( -4.686 -2.523 -11.007) 12.227 22.426 ( -11.989 -4.378 6.434) 14.293 22.687 ( -4.139 -0.214 -5.771) 7.105 23.718 ( 8.510 0.273 4.057) 9.431 23.825 ( 3.813 2.589 -1.430) 4.825 26.989 ( 2.076 -0.711 4.759) 5.241 27.294 ( 9.158 3.701 -10.642) 14.520 ======================= Grid point 436 (135/186) ======================= q-point: ( 0.50 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.542 ( 9.167 -0.510 7.754) 12.017 3.849 ( 9.384 3.207 -1.699) 10.062 4.106 ( 4.919 -1.266 11.785) 12.833 4.338 ( 4.394 7.057 10.987) 13.778 4.779 ( 0.562 -2.447 3.618) 4.404 4.905 ( -2.278 3.404 -7.773) 8.786 5.277 ( -4.682 -4.212 0.711) 6.337 5.550 ( -2.500 -0.248 -9.492) 9.819 5.719 ( -12.547 -4.654 -2.915) 13.696 5.870 ( 3.336 -2.959 -5.623) 7.177 6.041 ( -7.106 3.981 -11.973) 14.481 6.121 ( -4.127 2.099 -13.393) 14.171 7.686 ( 23.139 -24.422 21.085) 39.704 8.264 ( -3.257 16.484 5.373) 17.641 8.563 ( 9.064 -1.430 -4.862) 10.385 8.673 ( -6.598 6.672 -0.874) 9.424 8.784 ( 0.725 2.724 -3.515) 4.506 8.939 ( -7.628 2.138 -5.816) 9.828 9.647 ( -3.064 -1.084 4.047) 5.190 9.807 ( -2.744 1.617 -3.592) 4.801 10.852 ( -1.460 -8.770 12.785) 15.572 11.165 ( 2.238 -2.210 -1.127) 3.341 11.892 ( -1.536 1.226 6.531) 6.820 12.146 ( 2.790 8.048 -4.816) 9.785 15.463 ( 0.177 -2.280 4.511) 5.057 15.604 ( 3.494 -0.501 -2.482) 4.315 20.604 ( 1.400 -2.866 10.916) 11.372 20.673 ( -0.264 1.289 11.094) 11.172 21.130 ( 3.514 -6.247 -12.854) 14.717 21.173 ( -4.388 0.547 -11.432) 12.258 22.405 ( -9.276 -5.985 5.815) 12.477 22.664 ( -2.919 -1.467 -6.020) 6.850 23.767 ( 4.102 2.851 3.390) 6.037 23.831 ( 7.484 2.077 0.007) 7.767 27.000 ( -0.940 0.177 4.622) 4.720 27.288 ( 4.430 4.855 -9.631) 11.660 ======================= Grid point 437 (136/186) ======================= q-point: (-0.40 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.540 ( 5.287 8.171 9.740) 13.769 3.926 ( 13.092 1.912 -4.501) 13.976 4.108 ( -0.776 3.863 11.705) 12.351 4.245 ( 0.692 5.911 14.057) 15.265 4.779 ( -1.100 1.583 -2.118) 2.863 4.883 ( -0.558 -2.128 1.023) 2.426 5.230 ( -9.339 0.841 -6.118) 11.196 5.542 ( -7.113 -2.495 -4.582) 8.822 5.680 ( -3.049 -3.704 -1.037) 4.909 5.914 ( -6.219 -1.649 -13.533) 14.985 6.060 ( 2.337 -5.734 -11.663) 13.204 6.130 ( 3.001 -6.336 -10.461) 12.593 7.696 ( -8.843 32.933 19.728) 39.395 8.234 ( 6.132 -6.452 3.840) 9.694 8.415 ( -0.312 4.742 -0.856) 4.829 8.689 ( 1.819 -2.053 -5.427) 6.081 8.795 ( 4.368 -6.281 2.153) 7.947 9.086 ( 6.288 -11.150 -7.197) 14.686 9.666 ( -0.746 -3.093 2.064) 3.792 9.773 ( -2.634 -1.129 -3.030) 4.171 10.987 ( 2.855 -5.584 12.391) 13.888 11.199 ( 5.441 2.593 4.148) 7.316 11.849 ( -7.849 -1.565 1.568) 8.156 12.004 ( -2.467 8.261 -4.310) 9.639 15.478 ( -0.295 0.408 4.286) 4.316 15.615 ( 2.236 2.618 -2.535) 4.276 20.616 ( -0.884 2.185 11.656) 11.892 20.679 ( 1.818 -1.434 11.797) 12.022 21.089 ( -4.287 3.801 -10.380) 11.856 21.253 ( 2.993 -3.853 -15.163) 15.929 22.448 ( -5.620 -7.610 4.856) 10.634 22.681 ( -1.192 -2.829 -5.689) 6.465 23.722 ( 1.727 4.865 5.768) 7.741 23.880 ( 8.155 2.449 -2.358) 8.835 26.963 ( -3.842 1.261 4.222) 5.846 27.221 ( 0.311 5.449 -8.425) 10.038 ======================= Grid point 438 (137/186) ======================= q-point: (-0.30 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.425 ( 7.138 12.178 13.993) 19.876 3.915 ( -5.207 7.660 9.903) 13.559 3.972 ( 4.062 8.888 -4.357) 10.700 4.206 ( 3.249 2.793 8.375) 9.407 4.698 ( -4.035 5.008 -9.254) 11.270 4.933 ( -0.103 -3.066 7.928) 8.501 5.084 ( -10.972 4.373 -9.320) 15.046 5.590 ( -0.790 -7.479 -5.345) 9.226 5.707 ( -1.867 -2.296 -9.550) 9.998 5.876 ( -6.034 -2.697 -9.598) 11.654 6.195 ( 2.334 -9.109 -1.495) 9.522 6.367 ( 6.372 -11.643 -4.622) 14.054 7.050 ( -6.054 30.184 23.498) 38.728 7.970 ( -8.496 12.556 -18.053) 23.574 8.598 ( 6.488 -1.275 2.625) 7.114 8.767 ( 5.908 -2.078 -3.527) 7.188 9.024 ( 1.886 -15.575 8.983) 18.079 9.344 ( 2.064 -13.446 -4.439) 14.309 9.708 ( -1.173 -2.115 1.319) 2.755 9.807 ( 2.565 -2.374 -2.369) 4.222 11.087 ( 10.447 2.300 11.438) 15.661 11.210 ( 4.486 0.835 7.739) 8.984 11.767 ( -7.471 3.542 -2.534) 8.648 11.833 ( -10.810 2.160 -3.090) 11.448 15.446 ( -0.563 2.665 3.415) 4.368 15.561 ( 0.966 5.300 -2.462) 5.924 20.551 ( -0.866 3.967 9.797) 10.605 20.725 ( 1.941 -1.648 12.630) 12.884 20.964 ( -3.739 5.684 -9.088) 11.353 21.321 ( 2.205 -1.027 -15.327) 15.519 22.546 ( -2.236 -8.009 3.608) 9.064 22.734 ( 0.590 -3.577 -4.885) 6.084 23.644 ( 0.675 5.422 7.781) 9.508 23.898 ( 6.064 3.976 -5.311) 8.988 26.885 ( -5.475 1.963 3.892) 6.998 27.113 ( -2.239 5.616 -7.228) 9.423 ======================= Grid point 439 (138/186) ======================= q-point: (-0.20 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.236 ( 3.540 16.467 22.345) 27.982 3.700 ( -3.461 10.028 13.023) 16.797 3.875 ( 0.083 4.773 -3.318) 5.813 4.112 ( 1.955 11.105 -11.508) 16.111 4.526 ( -5.814 9.504 -10.895) 15.583 4.809 ( -8.176 15.870 -9.498) 20.221 4.977 ( -0.075 -1.576 2.731) 3.154 5.565 ( 0.667 7.457 -21.343) 22.618 5.875 ( -0.528 -7.268 9.304) 11.818 5.960 ( -3.930 -18.453 11.688) 22.194 6.389 ( 6.003 -7.882 6.089) 11.629 6.589 ( 5.093 -2.612 4.037) 7.004 6.688 ( -3.746 -2.084 4.597) 6.285 7.748 ( -4.302 5.427 -24.786) 25.735 8.613 ( 2.257 3.332 2.948) 4.989 8.822 ( 3.640 1.705 -7.067) 8.130 9.303 ( -0.886 -15.348 10.342) 18.528 9.600 ( 3.107 -12.751 -2.566) 13.373 9.720 ( -2.278 -1.659 2.244) 3.603 9.852 ( 2.048 1.030 -1.977) 3.027 11.120 ( 11.680 6.097 9.865) 16.459 11.276 ( 6.295 -1.574 8.023) 10.319 11.578 ( -7.961 7.486 -2.647) 11.244 11.713 ( -12.433 -0.571 -2.787) 12.755 15.381 ( -0.356 4.243 2.212) 4.798 15.461 ( 0.081 6.415 -2.106) 6.752 20.471 ( -0.534 4.130 7.374) 8.468 20.772 ( 2.737 0.177 5.703) 6.329 20.835 ( -3.341 3.337 -1.645) 5.000 21.336 ( 1.317 1.321 -13.622) 13.749 22.668 ( -0.083 -7.079 2.329) 7.453 22.809 ( 1.643 -3.445 -4.018) 5.542 23.554 ( -0.230 5.009 8.410) 9.791 23.861 ( 2.652 5.417 -7.461) 9.594 26.798 ( -4.498 1.798 3.610) 6.042 26.992 ( -2.378 5.384 -5.866) 8.310 ======================= Grid point 440 (139/186) ======================= q-point: (-0.10 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.967 ( -0.000 14.648 27.433) 31.099 3.456 ( -0.000 17.202 20.825) 27.011 3.831 ( -0.000 1.019 -5.788) 5.877 3.918 ( -0.000 10.687 -20.211) 22.862 4.271 ( -0.000 14.881 -15.055) 21.168 4.427 ( -0.000 19.772 -12.790) 23.549 5.013 ( 0.000 -2.827 -3.417) 4.435 5.428 ( -0.000 8.189 -21.470) 22.978 5.865 ( -0.000 2.812 43.336) 43.427 6.355 ( 0.000 -24.550 12.417) 27.512 6.576 ( 0.000 -7.285 6.542) 9.791 6.751 ( 0.000 -18.032 -5.348) 18.808 6.832 ( 0.000 -8.467 -5.514) 10.104 7.679 ( -0.000 0.827 -27.936) 27.949 8.543 ( -0.000 5.747 4.161) 7.095 8.778 ( -0.000 5.421 -8.699) 10.250 9.540 ( 0.000 -12.458 11.474) 16.937 9.660 ( -0.000 4.079 5.213) 6.619 9.806 ( -0.000 4.429 -1.677) 4.736 9.887 ( 0.000 -14.506 -5.801) 15.623 11.111 ( -0.000 2.741 7.290) 7.788 11.372 ( -0.000 7.890 -6.519) 10.235 11.376 ( 0.000 -2.521 11.266) 11.544 11.616 ( -0.000 2.963 -0.652) 3.034 15.292 ( -0.000 5.683 1.794) 5.960 15.362 ( -0.000 4.520 -1.884) 4.897 20.404 ( -0.000 3.140 4.972) 5.881 20.697 ( -0.000 5.785 -10.024) 11.573 20.866 ( 0.000 -4.483 12.394) 13.180 21.305 ( -0.000 2.851 -10.576) 10.954 22.777 ( 0.000 -5.233 1.107) 5.348 22.873 ( 0.000 -2.373 -3.232) 4.010 23.476 ( -0.000 3.598 7.758) 8.552 23.774 ( -0.000 5.589 -7.594) 9.429 26.750 ( -0.000 0.704 2.742) 2.831 26.892 ( -0.000 4.534 -4.215) 6.191 ======================= Grid point 443 (140/186) ======================= q-point: ( 0.20 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.157 ( 16.757 -0.000 8.922) 18.984 3.249 ( 7.624 -0.000 19.142) 20.604 3.728 ( 13.282 -0.000 -9.509) 16.335 4.203 ( 14.749 -0.000 -15.507) 21.401 4.361 ( 20.173 -0.000 4.014) 20.569 4.789 ( 20.159 -0.000 -14.322) 24.729 5.131 ( 0.359 -0.000 -12.322) 12.327 5.248 ( 2.351 -0.000 -18.546) 18.695 5.857 ( 0.864 -0.000 43.859) 43.868 6.168 ( -20.031 0.000 7.012) 21.223 6.628 ( -8.382 0.000 0.913) 8.432 6.708 ( -12.184 0.000 9.250) 15.297 7.074 ( -11.731 0.000 -4.550) 12.582 7.817 ( 4.794 -0.000 -30.940) 31.309 8.507 ( 5.390 -0.000 5.114) 7.430 8.628 ( 3.051 -0.000 -2.171) 3.745 9.250 ( -9.538 0.000 2.545) 9.872 9.396 ( -12.978 0.000 -3.015) 13.324 9.915 ( 1.446 -0.000 7.315) 7.457 10.023 ( -7.059 0.000 0.918) 7.118 10.685 ( -6.740 0.000 5.639) 8.788 10.836 ( -7.843 0.000 -3.604) 8.631 12.077 ( 16.221 -0.000 6.621) 17.521 12.193 ( 18.975 -0.000 -0.571) 18.984 15.174 ( 0.823 -0.000 5.580) 5.641 15.360 ( 3.891 -0.000 -3.692) 5.364 20.399 ( 2.574 -0.000 3.229) 4.129 20.625 ( 1.775 -0.000 -9.330) 9.497 20.886 ( -3.963 0.000 5.319) 6.633 21.072 ( -6.286 0.000 -4.101) 7.505 22.420 ( -14.737 0.000 10.085) 17.857 22.742 ( -5.702 0.000 -6.156) 8.391 23.632 ( 9.443 -0.000 5.636) 10.997 23.851 ( 6.501 -0.000 -5.538) 8.540 26.921 ( 5.241 -0.000 5.466) 7.572 27.274 ( 16.460 -0.000 -13.297) 21.160 ======================= Grid point 444 (141/186) ======================= q-point: ( 0.30 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.311 ( 14.699 -0.916 7.743) 16.639 3.447 ( 9.243 -10.383 11.577) 18.091 3.881 ( 18.701 1.423 -0.547) 18.764 4.388 ( 15.112 -2.439 -13.443) 20.372 4.584 ( 14.708 -3.337 5.429) 16.030 5.007 ( 10.779 -3.716 -12.581) 16.979 5.115 ( 2.721 1.588 -9.314) 9.832 5.335 ( 2.806 -5.665 -18.092) 19.165 5.813 ( -6.728 3.005 19.022) 20.400 5.964 ( -16.781 1.647 4.705) 17.506 6.495 ( -12.459 6.674 10.410) 17.554 6.624 ( 5.510 -3.019 14.404) 15.715 6.813 ( -12.961 12.726 -3.043) 18.417 7.922 ( 5.306 -6.247 -28.994) 30.130 8.576 ( 3.335 -1.735 4.399) 5.787 8.675 ( 2.217 -1.764 -0.983) 2.999 9.158 ( -8.388 0.792 1.063) 8.492 9.272 ( -14.504 -1.296 -2.635) 14.798 9.881 ( -0.312 4.707 7.268) 8.664 9.960 ( -3.978 0.281 2.384) 4.646 10.611 ( -6.656 0.257 6.253) 9.136 10.813 ( -6.528 -5.691 -4.894) 9.948 12.164 ( 13.839 6.950 8.794) 17.809 12.362 ( 14.665 1.634 -1.926) 14.881 15.221 ( 1.149 -4.001 6.108) 7.392 15.425 ( 4.785 -2.328 -4.003) 6.659 20.439 ( 3.058 -1.229 4.480) 5.561 20.668 ( 1.439 -2.293 -7.581) 8.050 20.837 ( -2.591 0.047 4.554) 5.240 21.052 ( -6.312 -4.521 -5.553) 9.545 22.299 ( -13.008 -2.136 11.060) 17.207 22.683 ( -5.648 -0.004 -7.573) 9.447 23.729 ( 9.887 0.240 4.701) 10.950 23.903 ( 6.134 1.429 -4.240) 7.593 26.974 ( 4.505 -0.170 7.415) 8.678 27.410 ( 13.657 2.210 -15.177) 20.537 ======================= Grid point 445 (142/186) ======================= q-point: ( 0.40 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.487 ( 13.897 -2.170 7.505) 15.943 3.743 ( 11.597 -10.223 5.218) 16.317 4.058 ( 19.267 0.232 8.695) 21.139 4.542 ( 11.633 1.810 -5.734) 13.095 4.730 ( 8.125 0.074 4.878) 9.477 5.044 ( 0.350 3.150 -10.117) 10.602 5.137 ( -4.197 -1.812 -1.154) 4.715 5.451 ( -1.533 -5.543 -16.080) 17.077 5.652 ( -15.682 3.048 2.251) 16.134 5.837 ( 1.141 -1.223 -6.939) 7.138 6.208 ( -16.876 8.159 1.794) 18.831 6.423 ( -13.840 12.881 -6.431) 19.970 6.975 ( 25.241 -14.850 27.976) 40.500 8.129 ( 7.511 -9.586 -24.498) 27.358 8.617 ( 1.448 -0.571 4.001) 4.293 8.729 ( 0.601 -2.821 -1.303) 3.165 9.030 ( -6.986 5.601 1.094) 9.020 9.123 ( -14.300 2.169 -2.437) 14.667 9.754 ( -2.298 7.581 8.726) 11.785 9.920 ( -1.316 2.376 0.834) 2.841 10.572 ( -6.385 -4.393 9.121) 11.969 10.897 ( -4.318 -10.110 -6.904) 12.981 12.129 ( 8.917 10.173 10.970) 17.418 12.413 ( 9.191 6.389 -3.720) 11.795 15.318 ( 1.219 -5.346 6.359) 8.396 15.527 ( 5.102 -3.293 -3.987) 7.264 20.501 ( 2.960 -2.352 7.044) 7.994 20.691 ( -0.794 -0.058 3.422) 3.514 20.888 ( 1.521 -6.261 -5.772) 8.650 21.080 ( -5.455 -5.179 -8.162) 11.099 22.224 ( -11.821 -3.636 10.777) 16.404 22.631 ( -5.036 -0.373 -8.404) 9.804 23.821 ( 9.311 0.624 3.377) 9.924 23.927 ( 5.912 2.660 -2.105) 6.816 27.010 ( 2.612 0.368 8.300) 8.709 27.468 ( 9.607 4.735 -14.903) 18.353 ======================= Grid point 446 (143/186) ======================= q-point: ( 0.50 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.650 ( 12.660 -0.639 9.047) 15.574 3.985 ( 13.535 -2.400 0.299) 13.750 4.231 ( 15.578 2.845 13.085) 20.542 4.528 ( 5.494 8.202 7.477) 12.384 4.764 ( 2.121 1.183 6.343) 6.792 4.940 ( -4.462 4.428 -8.991) 10.970 5.147 ( -3.878 -4.005 -2.192) 5.990 5.487 ( -7.390 -3.839 -11.385) 14.106 5.512 ( -8.732 -3.130 1.146) 9.347 5.874 ( -4.843 3.630 -9.543) 11.301 5.948 ( -11.849 -0.486 -10.812) 16.048 6.144 ( -6.196 4.636 -12.429) 14.641 7.558 ( 26.602 -19.721 22.654) 40.123 8.348 ( 3.125 -5.457 -10.515) 12.252 8.637 ( -1.283 -1.028 3.750) 4.095 8.747 ( -0.939 6.162 -1.581) 6.430 8.858 ( 0.405 2.605 -1.963) 3.287 8.915 ( -7.662 7.816 -3.212) 11.406 9.615 ( -4.379 3.309 7.408) 9.220 9.830 ( -2.908 4.985 -2.398) 6.249 10.653 ( -3.852 -10.593 12.399) 16.756 11.056 ( -1.009 -10.828 -7.099) 12.987 12.005 ( 2.755 10.699 11.637) 16.046 12.337 ( 4.133 9.778 -5.241) 11.839 15.414 ( 0.956 -4.063 6.540) 7.758 15.625 ( 4.380 -1.996 -3.900) 6.195 20.574 ( 2.336 -2.669 9.880) 10.497 20.680 ( -0.677 0.136 8.690) 8.717 21.038 ( 2.360 -7.723 -11.560) 14.101 21.107 ( -4.036 -3.206 -10.262) 11.484 22.191 ( -10.196 -5.826 10.196) 15.552 22.600 ( -3.944 -1.400 -8.750) 9.699 23.873 ( 5.638 3.020 3.077) 7.097 23.951 ( 7.991 1.933 -0.969) 8.278 27.010 ( 0.160 1.381 8.229) 8.346 27.444 ( 5.467 6.746 -13.443) 16.003 ======================= Grid point 447 (144/186) ======================= q-point: (-0.40 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.736 ( 9.744 4.538 9.721) 14.493 4.098 ( 9.895 3.770 2.262) 10.828 4.236 ( 9.259 6.956 9.564) 15.020 4.416 ( 1.896 10.738 12.898) 16.889 4.776 ( 1.933 -2.133 10.355) 10.748 4.862 ( -2.056 1.757 -9.356) 9.739 5.139 ( -7.792 -0.441 -5.206) 9.381 5.421 ( -12.347 0.498 -2.950) 12.704 5.535 ( -3.348 -7.728 3.671) 9.187 5.800 ( -5.749 -3.879 -16.120) 17.548 5.909 ( -6.587 -7.362 -14.063) 17.186 6.125 ( 3.244 -0.358 -19.296) 19.570 8.122 ( 15.517 -12.267 15.197) 24.944 8.150 ( -3.337 19.769 12.802) 23.788 8.539 ( -7.542 7.353 0.096) 10.534 8.692 ( 3.103 1.386 -2.403) 4.162 8.789 ( 5.381 0.264 -4.845) 7.246 8.962 ( 2.097 -6.969 -7.761) 10.640 9.584 ( -2.525 -3.797 3.641) 5.835 9.731 ( -3.822 1.146 -3.094) 5.049 10.831 ( -0.822 -12.050 13.740) 18.294 11.232 ( 3.788 -7.472 -4.878) 9.694 11.827 ( -4.129 8.792 10.415) 14.242 12.172 ( 0.305 11.563 -6.461) 13.250 15.470 ( 0.451 -1.540 6.270) 6.472 15.673 ( 2.865 0.791 -3.790) 4.816 20.625 ( 0.647 -0.715 12.761) 12.797 20.678 ( 0.626 -0.442 9.737) 9.767 21.089 ( -3.300 0.488 -9.440) 10.012 21.190 ( 2.163 -6.251 -16.060) 17.369 22.230 ( -6.964 -8.856 8.927) 14.374 22.605 ( -2.442 -3.061 -8.388) 9.257 23.841 ( 3.129 5.257 5.463) 8.202 24.004 ( 7.476 1.893 -2.921) 8.247 26.966 ( -1.891 2.524 7.587) 8.217 27.353 ( 2.026 7.865 -11.560) 14.128 ======================= Grid point 448 (145/186) ======================= q-point: (-0.30 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.717 ( 10.659 8.104 9.800) 16.593 3.978 ( -7.069 11.152 14.043) 19.276 4.169 ( 0.200 10.345 5.220) 11.589 4.366 ( 15.625 1.278 5.546) 16.630 4.725 ( -9.123 6.996 -10.843) 15.803 4.886 ( 3.914 -3.529 10.230) 11.508 5.028 ( -8.070 1.719 -1.493) 8.385 5.366 ( -6.862 -8.614 -5.476) 12.299 5.666 ( -0.028 -6.117 -1.357) 6.265 5.806 ( -3.228 -1.483 -20.838) 21.139 6.040 ( -0.927 -9.547 -11.232) 14.770 6.220 ( 2.808 -8.476 -10.473) 13.763 7.576 ( -3.013 33.580 19.083) 38.741 8.158 ( -4.039 15.339 -8.036) 17.781 8.624 ( 10.906 -9.152 6.437) 15.625 8.740 ( 0.569 -5.886 5.483) 8.065 8.855 ( 2.091 -1.784 -2.700) 3.853 9.114 ( -2.505 -11.560 -8.143) 14.360 9.644 ( -1.090 -3.863 2.012) 4.490 9.756 ( 0.702 -5.452 -2.229) 5.932 11.032 ( 1.233 -10.575 14.131) 17.693 11.374 ( 11.294 0.972 2.019) 11.514 11.636 ( -12.265 2.485 4.649) 13.350 11.956 ( -1.594 12.353 -7.496) 14.537 15.476 ( 0.012 1.023 5.307) 5.405 15.654 ( 1.185 3.763 -3.562) 5.315 20.604 ( -0.309 2.678 11.903) 12.204 20.711 ( 1.061 -1.711 12.277) 12.441 21.020 ( -2.051 4.066 -9.614) 10.638 21.295 ( 1.110 -3.847 -17.032) 17.496 22.351 ( -2.941 -10.530 6.747) 12.848 22.656 ( -0.848 -4.604 -7.245) 8.626 23.762 ( 1.430 6.343 7.817) 10.168 24.021 ( 4.331 3.307 -5.552) 7.780 26.892 ( -2.308 3.308 6.734) 7.849 27.224 ( 0.015 7.949 -9.642) 12.496 ======================= Grid point 449 (146/186) ======================= q-point: (-0.20 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.591 ( -0.000 19.637 22.526) 29.884 3.752 ( -0.000 2.010 3.489) 4.027 3.997 ( -0.000 9.366 9.204) 13.131 4.392 ( -0.000 15.234 -15.884) 22.009 4.544 ( 0.000 -1.438 -2.628) 2.996 4.941 ( -0.000 2.829 -5.667) 6.334 4.962 ( 0.000 -0.188 9.887) 9.889 5.577 ( 0.000 -18.012 0.365) 18.015 5.678 ( -0.000 4.068 -16.919) 17.401 5.806 ( 0.000 -2.096 -10.829) 11.030 6.224 ( 0.000 -11.799 -0.102) 11.800 6.437 ( 0.000 -13.101 -5.490) 14.204 6.992 ( -0.000 30.178 22.531) 37.661 7.880 ( -0.000 12.538 -17.283) 21.352 8.680 ( -0.000 2.477 2.514) 3.529 8.863 ( -0.000 0.494 -4.938) 4.962 9.012 ( 0.000 -17.168 9.485) 19.614 9.335 ( 0.000 -15.397 -6.756) 16.814 9.696 ( 0.000 -2.326 4.284) 4.875 9.849 ( 0.000 -3.251 -2.126) 3.885 11.205 ( 0.000 -7.980 14.107) 16.208 11.333 ( -0.000 10.028 12.313) 15.880 11.594 ( 0.000 -4.789 -5.022) 6.940 11.730 ( -0.000 12.190 -8.193) 14.688 15.440 ( -0.000 2.906 3.768) 4.759 15.574 ( -0.000 5.951 -3.033) 6.679 20.541 ( -0.000 4.087 9.750) 10.572 20.751 ( 0.000 -2.252 14.357) 14.533 20.919 ( -0.000 6.110 -10.029) 11.743 21.344 ( 0.000 -1.145 -16.110) 16.151 22.516 ( 0.000 -9.754 4.389) 10.696 22.738 ( 0.000 -4.996 -5.715) 7.591 23.657 ( -0.000 6.430 8.885) 10.968 23.971 ( -0.000 4.984 -7.443) 8.958 26.820 ( -0.000 3.133 5.603) 6.419 27.091 ( -0.000 7.069 -7.747) 10.488 ======================= Grid point 454 (147/186) ======================= q-point: ( 0.30 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.401 ( 8.656 -0.000 14.061) 16.512 3.506 ( 17.479 -0.000 4.824) 18.133 4.121 ( 22.790 -0.000 1.785) 22.859 4.505 ( 12.313 -0.000 -11.578) 16.901 4.718 ( 15.741 -0.000 5.914) 16.815 5.071 ( 5.720 -0.000 -11.116) 12.501 5.150 ( 1.160 -0.000 -8.315) 8.395 5.311 ( 1.651 -0.000 -17.123) 17.203 5.789 ( -8.363 0.000 6.667) 10.695 5.816 ( -10.296 0.000 1.075) 10.352 6.409 ( -16.849 0.000 9.031) 19.117 6.642 ( 5.103 -0.000 13.885) 14.792 6.815 ( -6.716 0.000 5.275) 8.540 7.872 ( 0.068 -0.000 -22.980) 22.980 8.563 ( -1.905 0.000 5.694) 6.004 8.702 ( 4.130 -0.000 -2.278) 4.717 9.107 ( -4.137 0.000 -3.317) 5.303 9.118 ( -12.917 0.000 -1.569) 13.012 9.921 ( -0.065 0.000 6.129) 6.130 9.926 ( -1.530 0.000 3.816) 4.112 10.544 ( -7.895 0.000 5.098) 9.398 10.690 ( -7.184 0.000 -4.326) 8.385 12.372 ( 12.501 -0.000 8.197) 14.948 12.519 ( 13.050 -0.000 -0.327) 13.054 15.197 ( 1.440 -0.000 7.574) 7.710 15.452 ( 4.896 -0.000 -5.076) 7.053 20.466 ( 3.942 -0.000 4.027) 5.635 20.663 ( 1.906 -0.000 -8.630) 8.838 20.809 ( -3.452 0.000 4.013) 5.294 20.938 ( -6.684 0.000 -3.205) 7.412 22.165 ( -10.198 0.000 12.665) 16.261 22.628 ( -5.193 0.000 -9.242) 10.601 23.830 ( 9.389 -0.000 3.831) 10.140 23.977 ( 5.732 -0.000 -3.815) 6.886 27.018 ( 4.062 -0.000 9.984) 10.779 27.559 ( 11.295 -0.000 -17.692) 20.990 ======================= Grid point 455 (148/186) ======================= q-point: ( 0.40 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.555 ( 11.590 -5.078 13.278) 18.342 3.724 ( 15.212 -5.616 7.357) 17.807 4.313 ( 21.312 2.981 4.108) 21.908 4.627 ( 6.225 -2.069 -6.980) 9.579 4.873 ( 15.116 0.647 5.685) 16.162 5.074 ( -3.630 1.803 -5.493) 6.826 5.121 ( -0.747 3.387 -5.000) 6.085 5.342 ( -2.675 -4.358 -16.955) 17.710 5.612 ( -10.482 7.790 -1.805) 13.184 5.811 ( 1.692 -2.916 -8.288) 8.948 6.165 ( -17.180 6.649 4.668) 19.004 6.461 ( -18.662 10.080 -6.585) 22.209 7.019 ( 26.177 -10.150 26.373) 38.520 7.970 ( -0.605 -11.086 -15.718) 19.244 8.540 ( -9.556 -3.921 5.540) 11.722 8.732 ( 3.997 1.271 -5.572) 6.974 9.003 ( -8.271 0.619 -0.126) 8.295 9.065 ( -3.034 1.407 -4.958) 5.980 9.870 ( 0.268 5.997 8.269) 10.219 9.938 ( 2.117 -0.140 3.788) 4.342 10.455 ( -8.970 -0.371 5.987) 10.791 10.682 ( -6.502 -7.458 -6.457) 11.815 12.400 ( 9.163 8.972 9.753) 16.111 12.602 ( 8.934 4.109 -1.117) 9.897 15.248 ( 1.426 -3.900 8.209) 9.200 15.524 ( 4.564 -2.539 -5.457) 7.554 20.511 ( 3.921 -0.542 5.741) 6.973 20.686 ( 0.154 0.086 -2.825) 2.831 20.801 ( -0.858 -3.850 -1.250) 4.138 20.927 ( -5.740 -5.336 -5.082) 9.340 22.082 ( -8.257 -1.020 12.858) 15.314 22.580 ( -4.241 -0.071 -10.214) 11.059 23.917 ( 7.954 0.232 2.767) 8.425 24.019 ( 4.974 1.331 -2.563) 5.752 27.048 ( 2.718 0.676 11.338) 11.679 27.630 ( 7.958 3.201 -18.015) 19.952 ======================= Grid point 456 (149/186) ======================= q-point: ( 0.50 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.759 ( 13.476 -2.412 11.769) 18.054 3.995 ( 10.374 -9.885 9.831) 17.378 4.471 ( 17.358 1.662 7.602) 19.022 4.641 ( -1.161 4.872 5.123) 7.164 4.908 ( 0.998 6.582 0.603) 6.685 5.007 ( 7.098 5.176 1.503) 8.912 5.101 ( 2.051 -0.481 -11.675) 11.864 5.337 ( -10.862 1.332 -4.488) 11.828 5.435 ( -0.306 -0.803 -8.316) 8.360 5.781 ( -17.421 2.275 -6.748) 18.820 5.936 ( -6.361 6.553 -10.881) 14.206 6.135 ( -9.354 3.372 -11.611) 15.286 7.535 ( 28.123 -15.294 21.600) 38.618 8.188 ( -1.049 -12.956 -6.070) 14.346 8.504 ( -15.087 -6.312 4.687) 17.012 8.756 ( 4.319 0.157 -10.625) 11.470 8.916 ( -3.363 3.173 0.717) 4.679 9.000 ( -0.344 3.529 -4.144) 5.454 9.712 ( -1.407 10.781 10.667) 15.231 9.924 ( 1.874 5.928 0.442) 6.233 10.431 ( -6.965 -7.963 9.990) 14.551 10.814 ( -3.663 -13.193 -8.636) 16.188 12.268 ( 4.708 13.802 11.543) 18.599 12.552 ( 4.547 9.265 -3.251) 10.821 15.343 ( 1.090 -5.085 8.377) 9.860 15.619 ( 3.544 -3.239 -5.288) 7.143 20.564 ( 3.006 -1.481 9.059) 9.659 20.671 ( -1.155 0.171 4.401) 4.553 20.917 ( 0.976 -7.945 -7.968) 11.295 20.984 ( -3.523 -6.293 -9.165) 11.662 22.033 ( -6.697 -2.280 13.012) 14.811 22.547 ( -3.001 -0.512 -10.724) 11.148 23.969 ( 4.842 1.790 2.348) 5.671 24.045 ( 5.138 1.054 -1.522) 5.461 27.046 ( 0.986 1.849 11.448) 11.638 27.611 ( 4.560 6.199 -16.807) 18.485 ======================= Grid point 457 (150/186) ======================= q-point: ( 0.60 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.882 ( 8.754 1.735 9.651) 13.145 4.216 ( 6.785 -3.347 11.667) 13.905 4.442 ( -2.834 8.317 9.438) 12.895 4.611 ( 10.674 6.482 14.247) 18.945 4.795 ( -0.581 3.947 2.508) 4.713 4.933 ( 2.860 6.608 -10.008) 12.329 5.103 ( 1.193 2.068 -1.527) 2.834 5.328 ( -5.845 -0.510 -1.857) 6.154 5.390 ( -6.476 -2.022 3.329) 7.557 5.655 ( -5.043 -5.792 -20.660) 22.042 5.740 ( -10.644 -0.922 -15.321) 18.678 6.138 ( 1.675 -1.459 -19.957) 20.080 8.050 ( 21.076 -14.039 15.937) 29.921 8.315 ( -2.779 -0.941 3.931) 4.905 8.441 ( -14.729 -4.082 5.924) 16.392 8.812 ( 0.590 6.611 0.909) 6.699 8.820 ( 3.466 -2.148 -12.871) 13.502 8.960 ( 2.314 2.705 -3.528) 5.012 9.540 ( -2.279 4.095 8.315) 9.545 9.784 ( -1.285 8.465 -2.856) 9.025 10.586 ( -2.122 -13.809 13.153) 19.188 11.038 ( -0.622 -14.583 -8.851) 17.071 12.039 ( 0.754 15.386 12.727) 19.982 12.390 ( 1.257 12.225 -5.481) 13.457 15.430 ( 0.511 -3.691 8.035) 8.857 15.691 ( 1.838 -1.597 -4.884) 5.457 20.616 ( 1.552 -1.489 12.622) 12.804 20.666 ( -0.682 -0.801 6.690) 6.772 21.032 ( -1.658 -4.303 -7.440) 8.753 21.087 ( 0.901 -7.433 -16.009) 17.674 22.042 ( -3.984 -5.621 12.707) 14.455 22.542 ( -1.523 -1.698 -10.560) 10.804 23.950 ( 2.000 4.098 4.135) 6.156 24.082 ( 3.742 0.509 -2.596) 4.583 27.006 ( -0.256 3.032 10.568) 10.997 27.515 ( 1.706 8.238 -14.749) 16.980 ======================= Grid point 458 (151/186) ======================= q-point: (-0.30 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.866 ( -0.000 4.648 6.956) 8.366 4.179 ( -0.000 11.119 18.786) 21.830 4.313 ( -0.000 6.232 5.406) 8.250 4.501 ( -0.000 6.867 9.923) 12.067 4.774 ( -0.000 2.817 2.004) 3.457 4.896 ( 0.000 -0.004 -7.878) 7.878 5.037 ( -0.000 5.607 8.501) 10.184 5.227 ( 0.000 -1.608 -12.969) 13.068 5.505 ( 0.000 -9.928 9.850) 13.985 5.738 ( 0.000 -4.429 -27.663) 28.015 5.834 ( 0.000 -12.538 -11.365) 16.923 6.164 ( 0.000 -1.064 -20.223) 20.251 8.077 ( -0.000 24.033 12.836) 27.247 8.351 ( -0.000 6.089 -0.087) 6.090 8.431 ( 0.000 -14.869 12.712) 19.562 8.729 ( -0.000 2.164 4.608) 5.091 8.907 ( -0.000 3.550 -2.895) 4.581 8.926 ( 0.000 -7.434 -12.418) 14.473 9.559 ( 0.000 -5.211 2.570) 5.810 9.688 ( -0.000 0.102 -2.843) 2.845 10.821 ( 0.000 -13.735 14.310) 19.835 11.281 ( 0.000 -12.936 -8.109) 15.267 11.773 ( -0.000 14.937 13.527) 20.152 12.173 ( -0.000 13.123 -7.209) 14.973 15.476 ( 0.000 -1.241 6.988) 7.097 15.704 ( -0.000 1.187 -4.339) 4.499 20.631 ( -0.000 0.567 13.526) 13.538 20.687 ( 0.000 -1.637 9.295) 9.438 21.053 ( -0.000 0.612 -9.032) 9.053 21.213 ( 0.000 -6.212 -17.336) 18.415 22.155 ( 0.000 -9.558 10.362) 14.097 22.579 ( 0.000 -3.447 -9.342) 9.958 23.875 ( -0.000 5.597 6.422) 8.519 24.086 ( -0.000 1.583 -4.389) 4.666 26.944 ( -0.000 3.686 8.972) 9.700 27.373 ( -0.000 8.862 -12.275) 15.139 ======================= Grid point 465 (152/186) ======================= q-point: ( 0.40 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.610 ( 11.067 -0.000 20.257) 23.083 3.837 ( 13.954 -0.000 8.426) 16.301 4.507 ( 9.663 -0.000 -2.042) 9.876 4.648 ( 3.292 -0.000 -11.089) 11.567 5.000 ( 9.066 -0.000 16.435) 18.770 5.081 ( 1.791 -0.000 7.154) 7.375 5.156 ( -1.387 0.000 -13.645) 13.715 5.270 ( -1.608 0.000 -20.725) 20.787 5.656 ( 1.089 -0.000 -8.685) 8.753 5.794 ( 0.289 -0.000 -7.122) 7.127 6.068 ( -13.843 0.000 1.969) 13.982 6.362 ( -20.224 0.000 -6.616) 21.279 7.192 ( 28.025 -0.000 21.843) 35.532 7.833 ( -2.860 0.000 -8.524) 8.991 8.355 ( -18.161 0.000 9.693) 20.586 8.799 ( 5.306 -0.000 -11.245) 12.434 8.943 ( -4.211 0.000 1.156) 4.367 9.052 ( -2.502 0.000 -5.996) 6.497 9.942 ( 2.385 -0.000 8.254) 8.591 9.975 ( 6.124 -0.000 4.374) 7.526 10.359 ( -10.143 0.000 4.756) 11.203 10.541 ( -7.009 0.000 -6.682) 9.683 12.570 ( 6.781 -0.000 9.090) 11.341 12.717 ( 6.519 -0.000 0.774) 6.565 15.226 ( 1.168 -0.000 9.245) 9.319 15.541 ( 3.389 -0.000 -6.372) 7.217 20.554 ( 4.624 -0.000 5.578) 7.246 20.697 ( 1.343 -0.000 -5.828) 5.981 20.752 ( -2.036 0.000 0.893) 2.224 20.810 ( -5.799 0.000 -3.571) 6.810 22.009 ( -5.161 0.000 13.165) 14.140 22.543 ( -2.964 0.000 -11.146) 11.533 23.988 ( 5.765 -0.000 2.069) 6.125 24.072 ( 3.371 -0.000 -2.348) 4.108 27.080 ( 2.002 -0.000 13.159) 13.311 27.727 ( 5.340 -0.000 -19.309) 20.034 ======================= Grid point 466 (153/186) ======================= q-point: ( 0.50 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.793 ( 9.900 -8.318 22.665) 26.094 3.959 ( 5.989 -1.372 12.564) 13.986 4.532 ( -2.142 0.241 -5.490) 5.898 4.700 ( 3.080 -2.323 -10.197) 10.903 5.053 ( 3.912 4.331 4.522) 7.383 5.096 ( 3.151 -0.667 9.882) 10.394 5.131 ( 5.526 2.539 -3.556) 7.045 5.282 ( -3.357 -0.896 -11.868) 12.367 5.607 ( 7.387 10.545 -6.086) 14.241 5.694 ( -8.456 5.772 -6.487) 12.120 5.978 ( -6.233 5.271 -11.764) 14.319 6.075 ( -13.618 3.343 -10.309) 17.404 7.583 ( 26.451 -11.546 16.042) 33.020 7.938 ( -0.969 -12.817 -2.471) 13.089 8.194 ( -21.746 -5.078 12.128) 25.411 8.831 ( 4.691 1.816 -15.625) 16.415 8.913 ( -1.884 0.350 0.882) 2.109 9.017 ( -2.354 0.826 -4.387) 5.047 9.894 ( 1.394 8.368 10.901) 13.813 10.046 ( 7.736 1.947 3.361) 8.656 10.258 ( -9.821 -2.001 6.417) 11.901 10.569 ( -3.712 -9.642 -8.977) 13.687 12.527 ( 3.204 10.133 10.199) 14.729 12.722 ( 2.986 5.341 -0.311) 6.127 15.271 ( 0.652 -3.871 9.526) 10.303 15.592 ( 1.867 -2.680 -6.415) 7.198 20.586 ( 2.922 0.591 9.279) 9.746 20.676 ( -0.839 1.956 -1.670) 2.705 20.792 ( -0.510 -6.460 -1.430) 6.636 20.839 ( -2.287 -6.478 -9.206) 11.487 21.969 ( -2.848 -0.044 13.391) 13.691 22.520 ( -1.534 -0.040 -11.592) 11.693 24.029 ( 2.856 0.595 1.629) 3.342 24.093 ( 2.074 0.458 -1.735) 2.743 27.084 ( 0.843 1.259 13.565) 13.650 27.735 ( 2.521 3.650 -18.952) 19.464 ======================= Grid point 467 (154/186) ======================= q-point: (-0.40 -0.60 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.965 ( -0.000 1.506 10.741) 10.846 4.074 ( 0.000 -13.839 23.762) 27.498 4.490 ( -0.000 2.501 -0.784) 2.621 4.767 ( 0.000 -1.641 -2.592) 3.068 4.937 ( -0.000 12.392 0.442) 12.400 5.068 ( -0.000 9.127 -12.129) 15.180 5.184 ( 0.000 -0.570 22.883) 22.890 5.221 ( 0.000 -4.402 4.318) 6.166 5.473 ( -0.000 9.975 -14.477) 17.581 5.605 ( -0.000 5.110 -21.425) 22.025 5.675 ( -0.000 4.494 -10.372) 11.304 6.103 ( 0.000 -3.430 -17.757) 18.085 8.041 ( 0.000 -17.018 8.350) 18.956 8.077 ( 0.000 -5.217 18.637) 19.353 8.208 ( 0.000 -12.892 -0.922) 12.925 8.832 ( -0.000 1.075 -18.590) 18.621 8.883 ( -0.000 2.003 1.964) 2.805 8.993 ( -0.000 0.563 -3.038) 3.090 9.700 ( -0.000 13.098 11.981) 17.751 9.959 ( -0.000 10.539 -0.876) 10.575 10.343 ( 0.000 -11.855 11.311) 16.386 10.771 ( 0.000 -14.773 -9.645) 17.642 12.316 ( -0.000 15.134 11.718) 19.140 12.598 ( -0.000 10.295 -3.000) 10.723 15.356 ( 0.000 -5.008 9.148) 10.430 15.657 ( 0.000 -3.239 -5.796) 6.639 20.604 ( 0.000 -0.933 13.377) 13.410 20.652 ( -0.000 0.116 0.891) 0.898 20.918 ( 0.000 -7.449 -3.776) 8.352 20.955 ( 0.000 -7.856 -14.361) 16.369 21.963 ( 0.000 -1.524 13.834) 13.917 22.516 ( 0.000 -0.508 -11.553) 11.564 24.017 ( -0.000 2.415 2.452) 3.442 24.102 ( 0.000 -0.045 -1.868) 1.868 27.055 ( -0.000 2.476 12.639) 12.880 27.656 ( -0.000 6.674 -17.327) 18.568 ======================= Grid point 478 (155/186) ======================= q-point: (-0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.755 ( -0.000 0.000 27.605) 27.605 3.997 ( 0.000 -0.000 14.113) 14.113 4.515 ( 0.000 -0.000 -10.642) 10.642 4.681 ( 0.000 -0.000 -16.322) 16.322 5.074 ( -0.000 0.000 23.290) 23.290 5.105 ( -0.000 0.000 -18.493) 18.493 5.228 ( 0.000 -0.000 -14.570) 14.570 5.258 ( -0.000 0.000 13.757) 13.757 5.669 ( -0.000 0.000 -2.251) 2.251 5.842 ( 0.000 -0.000 -7.806) 7.806 5.980 ( 0.000 -0.000 -14.560) 14.560 6.010 ( -0.000 0.000 -9.519) 9.519 7.640 ( -0.000 0.000 7.511) 7.511 7.798 ( 0.000 -0.000 -1.935) 1.935 8.010 ( 0.000 -0.000 21.879) 21.879 8.877 ( 0.000 -0.000 -19.504) 19.504 8.907 ( 0.000 -0.000 1.917) 1.917 9.006 ( -0.000 0.000 -2.580) 2.580 9.982 ( 0.000 -0.000 11.031) 11.031 10.134 ( 0.000 -0.000 6.997) 6.997 10.162 ( -0.000 0.000 1.987) 1.987 10.455 ( 0.000 -0.000 -9.317) 9.317 12.639 ( 0.000 -0.000 9.360) 9.360 12.783 ( 0.000 -0.000 1.295) 1.295 15.238 ( 0.000 -0.000 9.890) 9.890 15.577 ( 0.000 -0.000 -6.883) 6.883 20.624 ( 0.000 -0.000 10.482) 10.482 20.714 ( 0.000 -0.000 2.667) 2.667 20.729 ( -0.000 0.000 -8.079) 8.079 20.729 ( -0.000 0.000 -7.679) 7.679 21.957 ( 0.000 -0.000 13.196) 13.196 22.513 ( 0.000 -0.000 -11.787) 11.787 24.048 ( 0.000 -0.000 1.341) 1.341 24.107 ( 0.000 -0.000 -1.789) 1.789 27.100 ( 0.000 -0.000 14.295) 14.295 27.780 ( 0.000 -0.000 -19.671) 19.671 ======================= Grid point 525 (156/186) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.249 ( 0.000 0.000 -26.539) 26.539 3.249 ( 0.000 0.000 26.539) 26.539 3.493 ( 0.000 0.000 -23.340) 23.340 3.493 ( 0.000 0.000 23.340) 23.340 3.833 ( 0.000 0.000 -7.134) 7.134 3.833 ( 0.000 0.000 7.134) 7.134 5.021 ( 0.000 0.000 -1.781) 1.781 5.021 ( 0.000 0.000 1.781) 1.781 6.803 ( 0.000 0.000 -38.462) 38.462 6.803 ( 0.000 0.000 38.462) 38.462 6.848 ( 0.000 0.000 -7.281) 7.281 6.848 ( 0.000 0.000 7.281) 7.281 7.172 ( 0.000 0.000 -0.897) 0.897 7.172 ( 0.000 0.000 0.897) 0.897 8.474 ( 0.000 0.000 -4.806) 4.806 8.474 ( 0.000 0.000 4.806) 4.806 9.625 ( 0.000 0.000 -3.620) 3.620 9.625 ( 0.000 0.000 3.620) 3.620 10.010 ( 0.000 0.000 -10.320) 10.320 10.010 ( 0.000 0.000 10.320) 10.320 11.156 ( 0.000 0.000 -2.896) 2.896 11.156 ( 0.000 0.000 2.896) 2.896 11.525 ( 0.000 0.000 -1.197) 1.197 11.525 ( 0.000 0.000 1.197) 1.197 15.228 ( 0.000 0.000 -3.161) 3.161 15.228 ( 0.000 0.000 3.161) 3.161 20.432 ( 0.000 0.000 -6.088) 6.088 20.432 ( 0.000 0.000 6.088) 6.088 21.109 ( 0.000 0.000 -6.025) 6.025 21.109 ( 0.000 0.000 6.025) 6.025 22.877 ( 0.000 0.000 -0.557) 0.557 22.877 ( 0.000 0.000 0.557) 0.557 23.542 ( 0.000 0.000 -6.391) 6.391 23.542 ( 0.000 0.000 6.391) 6.391 26.769 ( 0.000 0.000 -0.236) 0.236 26.769 ( 0.000 0.000 0.236) 0.236 ======================= Grid point 527 (157/186) ======================= q-point: ( 0.10 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.290 ( -2.900 -5.865 -23.560) 24.451 3.290 ( -2.900 -5.865 23.560) 24.451 3.618 ( 4.239 -9.759 -19.773) 22.454 3.618 ( 4.239 -9.759 19.773) 22.454 3.975 ( 13.090 -9.568 -8.435) 18.277 3.975 ( 13.090 -9.568 8.435) 18.277 5.040 ( 0.008 -2.200 -6.034) 6.423 5.040 ( 0.008 -2.200 6.034) 6.423 6.691 ( -8.272 9.305 -18.741) 22.499 6.691 ( -8.272 9.305 18.741) 22.499 6.813 ( 0.405 4.836 -12.663) 13.561 6.813 ( 0.405 4.836 12.663) 13.561 7.077 ( 1.313 7.435 -19.431) 20.846 7.077 ( 1.313 7.435 19.431) 20.846 8.537 ( 0.257 -5.574 -5.002) 7.493 8.537 ( 0.257 -5.574 5.002) 7.493 9.641 ( -4.978 -4.069 -4.001) 7.573 9.641 ( -4.978 -4.069 4.001) 7.573 9.948 ( 2.165 7.632 -9.266) 12.198 9.948 ( 2.165 7.632 9.266) 12.198 11.106 ( -11.353 -2.538 -4.360) 12.423 11.106 ( -11.353 -2.538 4.360) 12.423 11.622 ( 14.295 -0.713 -3.358) 14.701 11.622 ( 14.295 -0.713 3.358) 14.701 15.258 ( 0.515 -3.037 -2.774) 4.146 15.258 ( 0.515 -3.037 2.774) 4.146 20.460 ( 0.605 -2.811 -6.490) 7.099 20.460 ( 0.605 -2.811 6.490) 7.099 21.097 ( -1.619 0.331 -7.762) 7.936 21.097 ( -1.619 0.331 7.762) 7.936 22.842 ( -3.893 1.424 -1.113) 4.293 22.842 ( -3.893 1.424 1.113) 4.293 23.576 ( 2.343 -2.098 -6.751) 7.448 23.576 ( 2.343 -2.098 6.751) 7.448 26.803 ( 4.445 -1.142 -1.843) 4.946 26.803 ( 4.445 -1.142 1.843) 4.946 ======================= Grid point 529 (158/186) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.378 ( -3.672 -8.035 -18.320) 20.338 3.378 ( -3.672 -8.035 18.320) 20.338 3.855 ( 7.953 -10.062 -15.067) 19.787 3.855 ( 7.953 -10.062 15.067) 19.787 4.383 ( 16.363 -16.574 -11.241) 25.861 4.383 ( 16.363 -16.574 11.241) 25.861 5.096 ( 0.209 -4.130 -11.432) 12.157 5.096 ( 0.209 -4.130 11.432) 12.157 6.339 ( -9.555 18.317 -10.952) 23.383 6.339 ( -9.555 18.317 10.952) 23.383 6.658 ( -3.188 10.668 -6.482) 12.884 6.658 ( -3.188 10.668 6.482) 12.884 7.072 ( 5.242 -3.446 -35.503) 36.053 7.072 ( 5.242 -3.446 35.503) 36.053 8.620 ( -0.978 -3.716 -5.003) 6.309 8.620 ( -0.978 -3.716 5.003) 6.309 9.617 ( -9.536 0.262 -4.935) 10.741 9.617 ( -9.536 0.262 4.935) 10.741 9.834 ( 4.388 7.874 -6.158) 10.916 9.834 ( 4.388 7.874 6.158) 10.916 11.053 ( -11.537 -5.341 -6.431) 14.248 11.053 ( -11.537 -5.341 6.431) 14.248 11.781 ( 15.449 0.661 -5.830) 16.526 11.781 ( 15.449 0.661 5.830) 16.526 15.337 ( 1.034 -4.880 -2.097) 5.411 15.337 ( 1.034 -4.880 2.097) 5.411 20.538 ( 1.236 -5.006 -7.451) 9.061 20.538 ( 1.236 -5.006 7.451) 9.061 21.071 ( -2.233 0.350 -10.649) 10.886 21.071 ( -2.233 0.350 10.649) 10.886 22.766 ( -4.915 1.852 -2.416) 5.781 22.766 ( -4.915 1.852 2.416) 5.781 23.644 ( 2.282 -2.690 -6.763) 7.628 23.644 ( 2.282 -2.690 6.763) 7.628 26.888 ( 6.787 -1.708 -3.573) 7.858 26.888 ( 6.787 -1.708 3.573) 7.858 ======================= Grid point 531 (159/186) ======================= q-point: ( 0.30 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.489 ( -1.447 -7.644 -14.952) 16.855 3.489 ( -1.447 -7.644 14.952) 16.855 4.107 ( 7.715 -8.863 -13.340) 17.777 4.107 ( 7.715 -8.863 13.340) 17.777 4.743 ( 8.375 -7.956 -14.340) 18.414 4.743 ( 8.375 -7.956 14.340) 18.414 5.192 ( 2.375 -5.575 -15.509) 16.651 5.192 ( 2.375 -5.575 15.509) 16.651 5.964 ( -5.361 13.973 -6.786) 16.432 5.964 ( -5.361 13.973 6.786) 16.432 6.410 ( -6.682 11.756 -4.119) 14.136 6.410 ( -6.682 11.756 4.119) 14.136 7.302 ( 10.808 -13.995 -33.394) 37.787 7.302 ( 10.808 -13.995 33.394) 37.787 8.643 ( -1.280 -0.432 -4.580) 4.775 8.643 ( -1.280 -0.432 4.580) 4.775 9.412 ( -10.419 11.056 -6.635) 16.577 9.412 ( -10.419 11.056 6.635) 16.577 9.777 ( 1.514 2.986 -3.396) 4.769 9.777 ( 1.514 2.986 3.396) 4.769 11.061 ( -8.373 -6.887 -7.600) 13.240 11.061 ( -8.373 -6.887 7.600) 13.240 11.897 ( 11.987 2.029 -6.483) 13.778 11.897 ( 11.987 2.029 6.483) 13.778 15.435 ( 1.223 -4.769 -2.069) 5.341 15.435 ( 1.223 -4.769 2.069) 5.341 20.650 ( 1.657 -5.882 -8.370) 10.363 20.650 ( 1.657 -5.882 8.370) 10.363 21.043 ( -1.891 0.468 -12.108) 12.263 21.043 ( -1.891 0.468 12.108) 12.263 22.687 ( -4.153 1.812 -3.539) 5.749 22.687 ( -4.153 1.812 3.539) 5.749 23.706 ( 1.309 -2.295 -5.537) 6.135 23.706 ( 1.309 -2.295 5.537) 6.135 26.986 ( 6.349 -1.568 -4.777) 8.099 26.986 ( 6.349 -1.568 4.777) 8.099 ======================= Grid point 533 (160/186) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.603 ( 0.593 -5.487 -11.840) 13.063 3.603 ( 0.593 -5.487 11.840) 13.063 4.270 ( 2.950 -2.881 -9.448) 10.308 4.270 ( 2.950 -2.881 9.448) 10.308 4.838 ( 1.117 -0.232 -10.702) 10.763 4.838 ( 1.117 -0.232 10.702) 10.763 5.321 ( 3.972 -4.845 -12.881) 14.323 5.321 ( 3.972 -4.845 12.881) 14.323 5.792 ( 0.098 3.192 -6.137) 6.918 5.792 ( 0.098 3.192 6.137) 6.918 6.136 ( -7.449 10.798 -2.325) 13.322 6.136 ( -7.449 10.798 2.325) 13.322 7.750 ( 14.066 -21.464 -24.350) 35.376 7.750 ( 14.066 -21.464 24.350) 35.376 8.610 ( -0.385 4.069 -5.769) 7.070 8.610 ( -0.385 4.069 5.769) 7.070 9.059 ( -12.640 14.303 -8.811) 21.023 9.059 ( -12.640 14.303 8.811) 21.023 9.749 ( 0.406 1.392 -3.272) 3.579 9.749 ( 0.406 1.392 3.272) 3.579 11.104 ( -4.274 -4.928 -6.752) 9.389 11.104 ( -4.274 -4.928 6.752) 9.389 11.956 ( 6.512 1.774 -4.966) 8.380 11.956 ( 6.512 1.774 4.966) 8.380 15.514 ( 0.826 -2.869 -2.474) 3.878 15.514 ( 0.826 -2.869 2.474) 3.878 20.760 ( 1.418 -4.613 -7.719) 9.104 20.760 ( 1.418 -4.613 7.720) 9.104 21.015 ( -1.185 0.891 -10.137) 10.244 21.015 ( -1.185 0.891 10.137) 10.244 22.625 ( -2.419 1.235 -4.369) 5.144 22.625 ( -2.419 1.235 4.369) 5.144 23.747 ( 0.523 -1.327 -3.262) 3.560 23.747 ( 0.523 -1.327 3.262) 3.560 27.060 ( 3.732 -0.914 -5.302) 6.548 27.060 ( 3.732 -0.914 5.302) 6.548 ======================= Grid point 535 (161/186) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.661 ( 0.000 -0.000 -8.111) 8.111 3.661 ( 0.000 -0.000 8.111) 8.111 4.294 ( -0.000 -0.000 -5.021) 5.021 4.294 ( 0.000 -0.000 5.021) 5.021 4.842 ( 0.000 -0.000 -1.257) 1.257 4.842 ( 0.000 -0.000 1.257) 1.257 5.396 ( 0.000 -0.000 -4.802) 4.802 5.396 ( 0.000 -0.000 4.802) 4.802 5.800 ( -0.000 -0.000 -1.361) 1.361 5.800 ( 0.000 -0.000 1.361) 1.361 5.961 ( 0.000 -0.000 -3.744) 3.744 5.961 ( 0.000 -0.000 3.744) 3.744 8.150 ( 0.000 -0.000 -5.156) 5.156 8.150 ( 0.000 -0.000 5.156) 5.156 8.473 ( -0.000 -0.000 -3.322) 3.322 8.473 ( -0.000 0.000 3.322) 3.322 8.833 ( 0.000 -0.000 -6.248) 6.248 8.833 ( -0.000 -0.000 6.248) 6.248 9.739 ( 0.000 -0.000 -3.446) 3.446 9.739 ( 0.000 -0.000 3.446) 3.446 11.127 ( 0.000 -0.000 -5.643) 5.643 11.127 ( 0.000 -0.000 5.643) 5.643 11.973 ( 0.000 -0.000 -3.264) 3.264 11.973 ( 0.000 -0.000 3.264) 3.264 15.544 ( 0.000 -0.000 -2.663) 2.663 15.544 ( 0.000 -0.000 2.663) 2.663 20.814 ( -0.000 0.000 -2.046) 2.046 20.814 ( -0.000 -0.000 2.046) 2.046 20.997 ( 0.000 -0.000 -1.421) 1.421 20.997 ( 0.000 -0.000 1.421) 1.421 22.601 ( 0.000 -0.000 -4.704) 4.704 22.601 ( 0.000 -0.000 4.704) 4.704 23.761 ( 0.000 -0.000 -1.253) 1.253 23.761 ( -0.000 -0.000 1.253) 1.253 27.088 ( 0.000 -0.000 -5.412) 5.412 27.088 ( 0.000 -0.000 5.412) 5.412 ======================= Grid point 549 (162/186) ======================= q-point: ( 0.10 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.231 ( 0.424 -0.000 -18.507) 18.512 3.231 ( 0.424 -0.000 18.507) 18.512 3.585 ( 9.218 -0.000 -22.044) 23.894 3.585 ( 9.218 -0.000 22.044) 23.894 4.073 ( 20.381 -0.000 -10.803) 23.067 4.073 ( 20.381 -0.000 10.803) 23.067 5.021 ( 0.080 -0.000 -2.126) 2.127 5.021 ( 0.080 -0.000 2.126) 2.127 6.643 ( -14.876 0.000 -4.054) 15.418 6.643 ( -14.876 0.000 4.054) 15.418 6.862 ( 1.605 -0.000 -22.980) 23.036 6.862 ( 1.605 -0.000 22.980) 23.036 7.162 ( -1.724 0.000 -4.969) 5.260 7.162 ( -1.724 0.000 4.969) 5.260 8.498 ( 2.640 -0.000 -4.027) 4.815 8.498 ( 2.640 -0.000 4.027) 4.815 9.536 ( -8.188 0.000 -4.258) 9.228 9.536 ( -8.188 0.000 4.258) 9.228 10.028 ( 0.761 -0.000 -7.774) 7.811 10.028 ( 0.761 -0.000 7.774) 7.811 10.963 ( -11.699 0.000 -3.828) 12.309 10.963 ( -11.699 0.000 3.828) 12.309 11.789 ( 18.600 -0.000 -0.653) 18.611 11.789 ( 18.600 -0.000 0.653) 18.611 15.239 ( 1.116 -0.000 -3.580) 3.750 15.239 ( 1.116 -0.000 3.580) 3.750 20.444 ( 1.175 -0.000 -5.992) 6.107 20.444 ( 1.175 -0.000 5.992) 6.107 21.074 ( -3.328 0.000 -5.741) 6.636 21.074 ( -3.328 0.000 5.741) 6.636 22.790 ( -7.858 0.000 -2.744) 8.323 22.790 ( -7.858 0.000 2.744) 8.323 23.601 ( 5.444 -0.000 -6.505) 8.482 23.601 ( 5.444 -0.000 6.505) 8.482 26.860 ( 8.224 -0.000 -2.823) 8.695 26.860 ( 8.224 -0.000 2.823) 8.695 ======================= Grid point 551 (163/186) ======================= q-point: ( 0.20 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.284 ( 3.770 -3.527 -14.383) 15.282 3.284 ( 3.770 -3.527 14.383) 15.282 3.776 ( 11.640 -7.787 -19.678) 24.153 3.776 ( 11.640 -7.787 19.678) 24.153 4.370 ( 22.288 -8.202 -12.053) 26.632 4.370 ( 22.288 -8.202 12.053) 26.632 5.043 ( 0.499 -2.299 -6.208) 6.639 5.043 ( 0.499 -2.299 6.208) 6.639 6.404 ( -18.419 7.528 -6.402) 20.903 6.404 ( -18.419 7.528 6.402) 20.903 6.813 ( -2.852 7.740 -8.218) 11.644 6.813 ( -2.852 7.740 8.218) 11.644 7.109 ( 3.359 1.650 -30.163) 30.394 7.109 ( 3.359 1.650 30.163) 30.394 8.566 ( 2.920 -3.170 -3.582) 5.604 8.566 ( 2.920 -3.170 3.582) 5.604 9.467 ( -11.506 -2.789 -4.754) 12.758 9.467 ( -11.506 -2.789 4.754) 12.758 9.986 ( 0.591 4.796 -5.546) 7.356 9.986 ( 0.591 4.796 5.546) 7.356 10.876 ( -9.519 -2.569 -5.109) 11.104 10.876 ( -9.519 -2.569 5.109) 11.104 11.967 ( 17.641 1.417 -4.134) 18.174 11.967 ( 17.641 1.417 4.134) 18.174 15.281 ( 1.859 -3.040 -3.641) 5.095 15.281 ( 1.859 -3.040 3.641) 5.095 20.484 ( 1.773 -2.859 -6.313) 7.153 20.484 ( 1.773 -2.859 6.313) 7.153 21.038 ( -4.022 -0.355 -7.071) 8.142 21.038 ( -4.022 -0.355 7.071) 8.142 22.703 ( -9.052 -0.221 -5.126) 10.405 22.703 ( -9.052 -0.221 5.126) 10.405 23.667 ( 6.426 -0.280 -6.136) 8.890 23.667 ( 6.426 -0.280 6.136) 8.890 26.957 ( 9.664 -0.300 -5.565) 11.156 26.957 ( 9.664 -0.300 5.565) 11.156 ======================= Grid point 553 (164/186) ======================= q-point: ( 0.30 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.418 ( 7.592 -4.781 -12.592) 15.461 3.418 ( 7.592 -4.781 12.592) 15.461 4.041 ( 11.361 -8.568 -16.905) 22.097 4.041 ( 11.361 -8.568 16.905) 22.097 4.713 ( 12.905 -7.426 -13.107) 19.836 4.713 ( 12.905 -7.426 13.107) 19.836 5.126 ( 3.665 -5.419 -10.898) 12.711 5.126 ( 3.665 -5.419 10.898) 12.711 6.054 ( -17.081 10.142 -5.939) 20.734 6.054 ( -17.081 10.142 5.939) 20.734 6.554 ( -8.741 12.992 -2.691) 15.889 6.554 ( -8.741 12.992 2.691) 15.889 7.245 ( 12.644 -7.388 -37.613) 40.363 7.245 ( 12.644 -7.388 37.613) 40.363 8.634 ( 2.422 -1.375 -3.616) 4.564 8.634 ( 2.422 -1.375 3.616) 4.564 9.363 ( -14.781 0.596 -5.122) 15.654 9.363 ( -14.781 0.596 5.122) 15.654 9.895 ( 1.096 6.496 -4.862) 8.187 9.895 ( 1.096 6.496 4.862) 8.187 10.866 ( -7.001 -6.140 -7.688) 12.076 10.866 ( -7.001 -6.140 7.688) 12.076 12.078 ( 13.294 4.146 -6.854) 15.521 12.078 ( 13.294 4.146 6.854) 15.521 15.373 ( 2.518 -4.557 -3.428) 6.234 15.373 ( 2.518 -4.557 3.428) 6.234 20.574 ( 2.282 -4.970 -7.252) 9.083 20.574 ( 2.282 -4.970 7.252) 9.083 21.010 ( -3.548 -0.952 -9.157) 9.866 21.010 ( -3.548 -0.952 9.157) 9.866 22.621 ( -8.776 -0.906 -6.433) 10.919 22.621 ( -8.776 -0.906 6.433) 10.919 23.733 ( 6.347 0.267 -4.859) 7.998 23.733 ( 6.347 0.267 4.859) 7.998 27.052 ( 8.527 0.238 -7.364) 11.269 27.052 ( 8.527 0.238 7.364) 11.269 ======================= Grid point 555 (165/186) ======================= q-point: ( 0.40 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.585 ( 10.397 -3.501 -11.468) 15.870 3.585 ( 10.397 -3.501 11.468) 15.870 4.264 ( 8.645 -4.092 -13.542) 16.579 4.264 ( 8.645 -4.092 13.542) 16.579 4.844 ( 1.832 -0.824 -10.303) 10.497 4.844 ( 1.832 -0.824 10.303) 10.497 5.270 ( 3.277 -5.113 -10.246) 11.911 5.270 ( 3.277 -5.113 10.246) 11.911 5.789 ( -9.869 2.831 -1.788) 10.422 5.789 ( -9.869 2.831 1.788) 10.422 6.233 ( -11.643 11.574 -2.831) 16.659 6.233 ( -11.643 11.574 2.831) 16.659 7.604 ( 18.521 -15.090 -30.107) 38.434 7.604 ( 18.521 -15.090 30.107) 38.434 8.669 ( 3.441 0.620 -4.036) 5.340 8.669 ( 3.441 0.620 4.036) 5.340 9.122 ( -16.072 9.253 -6.128) 19.532 9.122 ( -16.072 9.253 6.128) 19.532 9.796 ( -0.725 4.689 -5.091) 6.959 9.796 ( -0.725 4.689 5.091) 6.959 10.943 ( -3.829 -8.581 -9.255) 13.189 10.943 ( -3.829 -8.581 9.255) 13.189 12.093 ( 7.420 5.968 -7.775) 12.293 12.093 ( 7.420 5.968 7.775) 12.293 15.474 ( 2.598 -3.777 -3.509) 5.774 15.474 ( 2.598 -3.777 3.509) 5.774 20.691 ( 2.404 -5.442 -7.951) 9.931 20.691 ( 2.404 -5.442 7.951) 9.931 20.996 ( -2.652 -0.888 -9.371) 9.780 20.996 ( -2.652 -0.888 9.371) 9.780 22.560 ( -7.792 -1.858 -6.997) 10.636 22.560 ( -7.792 -1.858 6.997) 10.636 23.784 ( 6.085 1.091 -2.766) 6.773 23.784 ( 6.085 1.091 2.766) 6.773 27.112 ( 5.591 1.249 -7.877) 9.740 27.112 ( 5.591 1.249 7.877) 9.740 ======================= Grid point 557 (166/186) ======================= q-point: ( 0.50 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.724 ( 10.620 0.616 -9.588) 14.321 3.724 ( 10.620 0.616 9.588) 14.321 4.331 ( 3.698 2.504 -9.897) 10.858 4.331 ( 3.698 2.504 9.897) 10.858 4.849 ( 0.256 0.421 -5.061) 5.085 4.849 ( 0.256 0.421 5.061) 5.085 5.350 ( -2.698 -3.750 -7.590) 8.885 5.350 ( -2.698 -3.750 7.590) 8.886 5.757 ( -1.811 -3.609 -5.601) 6.905 5.757 ( -1.811 -3.609 5.601) 6.905 5.950 ( -10.980 5.582 -3.002) 12.678 5.950 ( -10.980 5.582 3.002) 12.678 8.077 ( 16.808 -15.457 -18.209) 29.206 8.077 ( 16.808 -15.457 18.209) 29.206 8.616 ( -2.812 13.913 -6.313) 15.535 8.616 ( -2.812 13.913 6.313) 15.535 8.819 ( -6.094 2.197 -6.001) 8.830 8.819 ( -6.094 2.197 6.001) 8.830 9.729 ( -2.615 0.908 -4.238) 5.062 9.729 ( -2.615 0.908 4.238) 5.062 11.064 ( -0.186 -7.243 -8.590) 11.238 11.064 ( -0.186 -7.243 8.590) 11.238 12.030 ( 1.059 6.108 -6.934) 9.301 12.030 ( 1.059 6.108 6.934) 9.301 15.543 ( 1.972 -1.314 -3.682) 4.378 15.543 ( 1.972 -1.314 3.682) 4.378 20.794 ( 1.855 -3.279 -5.647) 6.788 20.794 ( 1.855 -3.279 5.647) 6.788 20.984 ( -1.852 -0.525 -4.911) 5.274 20.984 ( -1.852 -0.525 4.911) 5.274 22.535 ( -5.917 -3.396 -7.001) 9.775 22.535 ( -5.917 -3.396 7.001) 9.775 23.815 ( 5.623 2.239 -1.640) 6.270 23.815 ( 5.623 2.239 1.640) 6.270 27.119 ( 1.908 2.372 -7.496) 8.090 27.119 ( 1.908 2.372 7.496) 8.090 ======================= Grid point 559 (167/186) ======================= q-point: (-0.40 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.756 ( 8.718 6.744 -11.540) 15.958 3.756 ( 8.718 6.744 11.540) 15.958 4.307 ( 0.994 3.249 -7.365) 8.111 4.307 ( 0.994 3.249 7.365) 8.111 4.834 ( -1.297 0.757 -9.804) 9.919 4.834 ( -1.297 0.757 9.804) 9.919 5.338 ( -3.797 0.842 -14.727) 15.232 5.338 ( -3.797 0.842 14.727) 15.232 5.700 ( -9.453 -0.301 -6.933) 11.727 5.700 ( -9.453 -0.301 6.933) 11.727 5.998 ( 3.116 -11.593 -4.188) 12.714 5.998 ( 3.116 -11.593 4.188) 12.714 8.048 ( -7.856 24.293 -15.964) 30.112 8.048 ( -7.856 24.293 15.964) 30.112 8.545 ( 7.379 -7.492 -8.545) 13.550 8.545 ( 7.379 -7.492 8.545) 13.550 8.923 ( 5.284 -10.712 -8.729) 14.795 8.923 ( 5.284 -10.712 8.729) 14.795 9.715 ( -1.612 -1.803 -2.824) 3.719 9.715 ( -1.612 -1.803 2.824) 3.719 11.175 ( 4.354 -2.857 -6.194) 8.092 11.175 ( 4.354 -2.857 6.194) 8.092 11.913 ( -5.485 4.599 -4.600) 8.509 11.913 ( -5.485 4.599 4.600) 8.509 15.555 ( 0.973 1.681 -3.556) 4.052 15.555 ( 0.973 1.681 3.556) 4.052 20.815 ( 0.119 2.277 -5.890) 6.316 20.815 ( 0.119 2.277 5.890) 6.316 20.993 ( -0.374 -2.027 -8.507) 8.753 20.993 ( -0.374 -2.027 8.507) 8.753 22.561 ( -3.340 -5.011 -6.315) 8.726 22.561 ( -3.340 -5.011 6.315) 8.726 23.817 ( 4.661 3.622 -4.030) 7.148 23.817 ( 4.661 3.622 4.030) 7.148 27.071 ( -1.448 3.308 -6.767) 7.670 27.071 ( -1.448 3.308 6.767) 7.670 ======================= Grid point 561 (168/186) ======================= q-point: (-0.30 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.702 ( 9.611 9.424 -14.932) 20.103 3.702 ( 9.611 9.424 14.932) 20.103 4.179 ( -6.905 8.751 -12.274) 16.581 4.179 ( -6.905 8.751 12.274) 16.581 4.789 ( -3.371 3.452 -15.051) 15.805 4.789 ( -3.371 3.452 15.051) 15.805 5.267 ( -0.401 4.585 -19.382) 19.921 5.267 ( -0.401 4.585 19.382) 19.921 5.717 ( -6.138 -12.203 -6.305) 15.045 5.717 ( -6.138 -12.203 6.305) 15.045 6.263 ( 4.890 -13.074 -5.580) 15.033 6.263 ( 4.890 -13.074 5.580) 15.033 7.534 ( -7.228 23.238 -24.917) 34.830 7.534 ( -7.228 23.238 24.917) 34.830 8.677 ( 5.623 -0.609 -4.819) 7.430 8.677 ( 5.623 -0.609 4.819) 7.430 9.210 ( 1.177 -16.228 -8.851) 18.523 9.210 ( 1.177 -16.228 8.851) 18.523 9.754 ( 1.763 -2.135 -2.912) 4.018 9.754 ( 1.763 -2.135 2.912) 4.018 11.248 ( 9.831 2.672 -4.053) 10.965 11.248 ( 9.831 2.672 4.053) 10.965 11.768 ( -11.629 1.854 -2.699) 12.082 11.768 ( -11.629 1.854 2.699) 12.082 15.508 ( 0.105 4.190 -2.963) 5.134 15.508 ( 0.105 4.190 2.963) 5.134 20.737 ( -0.817 5.543 -9.093) 10.681 20.737 ( -0.817 5.543 9.093) 10.681 21.033 ( 0.584 -2.053 -13.867) 14.031 21.033 ( 0.584 -2.053 13.867) 14.031 22.634 ( -0.877 -5.697 -5.123) 7.711 22.634 ( -0.877 -5.697 5.123) 7.711 23.783 ( 2.988 4.858 -6.491) 8.640 23.783 ( 2.988 4.858 6.491) 8.640 26.983 ( -3.391 3.776 -5.994) 7.854 26.983 ( -3.391 3.776 5.994) 7.854 ======================= Grid point 563 (169/186) ======================= q-point: (-0.20 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.632 ( 11.342 11.637 -18.032) 24.273 3.632 ( 11.342 11.637 18.032) 24.273 3.912 ( -11.831 8.735 -11.887) 18.910 3.912 ( -11.831 8.735 11.887) 18.910 4.578 ( -5.371 16.073 -12.212) 20.888 4.578 ( -5.371 16.073 12.212) 20.888 5.178 ( 0.168 5.328 -16.428) 17.272 5.178 ( 0.168 5.328 16.428) 17.272 6.001 ( -0.250 -22.869 -4.750) 23.358 6.001 ( -0.250 -22.869 4.750) 23.358 6.521 ( 3.654 -11.294 -6.307) 13.442 6.521 ( 3.654 -11.294 6.307) 13.442 7.159 ( -3.627 13.025 -32.805) 35.482 7.159 ( -3.627 13.025 32.805) 35.482 8.699 ( 2.796 2.818 -5.529) 6.807 8.699 ( 2.796 2.818 5.529) 6.807 9.484 ( -1.212 -15.900 -8.088) 17.880 9.484 ( -1.212 -15.900 8.088) 17.880 9.794 ( 2.209 0.840 -3.908) 4.567 9.794 ( 2.209 0.840 3.908) 4.567 11.282 ( 12.450 6.648 -5.985) 15.330 11.282 ( 12.450 6.648 5.985) 15.330 11.625 ( -13.744 -0.625 -5.596) 14.853 11.625 ( -13.744 -0.625 5.596) 14.853 15.422 ( -0.235 5.443 -2.032) 5.815 15.422 ( -0.235 5.443 2.032) 5.815 20.626 ( -0.603 6.091 -8.586) 10.545 20.626 ( -0.603 6.091 8.586) 10.545 21.070 ( 0.716 -1.414 -13.670) 13.762 21.070 ( 0.716 -1.414 13.670) 13.762 22.730 ( 0.635 -5.205 -3.845) 6.502 22.730 ( 0.635 -5.205 3.845) 6.502 23.712 ( 0.901 5.413 -7.820) 9.553 23.712 ( 0.901 5.413 7.820) 9.553 26.884 ( -2.983 3.543 -5.089) 6.882 26.884 ( -2.983 3.543 5.089) 6.882 ======================= Grid point 565 (170/186) ======================= q-point: (-0.10 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.478 ( -0.000 12.457 -24.661) 27.628 3.478 ( -0.000 12.457 24.661) 27.628 3.728 ( -0.000 5.716 -8.265) 10.049 3.728 ( -0.000 5.716 8.265) 10.049 4.194 ( -0.000 21.589 -8.590) 23.236 4.194 ( -0.000 21.589 8.590) 23.236 5.096 ( -0.000 4.130 -11.453) 12.175 5.096 ( -0.000 4.130 11.453) 12.175 6.424 ( 0.000 -23.597 -11.787) 26.377 6.424 ( 0.000 -23.597 11.787) 26.377 6.710 ( 0.000 -7.937 -6.818) 10.463 6.710 ( 0.000 -7.937 6.818) 10.463 7.011 ( -0.000 2.139 -35.450) 35.515 7.011 ( -0.000 2.139 35.450) 35.515 8.640 ( -0.000 5.342 -5.822) 7.902 8.640 ( -0.000 5.342 5.822) 7.902 9.741 ( 0.000 -13.826 -9.053) 16.526 9.741 ( 0.000 -13.826 9.053) 16.526 9.753 ( -0.000 4.734 -3.902) 6.135 9.753 ( -0.000 4.734 3.902) 6.135 11.245 ( -0.000 5.639 -6.554) 8.645 11.245 ( -0.000 5.639 6.554) 8.645 11.549 ( -0.000 0.063 -6.262) 6.262 11.549 ( -0.000 0.063 6.262) 6.262 15.327 ( -0.000 5.027 -1.771) 5.330 15.327 ( -0.000 5.027 1.771) 5.330 20.525 ( -0.000 4.996 -7.500) 9.012 20.525 ( -0.000 4.996 7.500) 9.012 21.094 ( 0.000 -0.899 -11.163) 11.199 21.094 ( 0.000 -0.899 11.163) 11.199 22.814 ( 0.000 -3.734 -2.592) 4.546 22.814 ( 0.000 -3.734 2.592) 4.546 23.626 ( -0.000 4.599 -7.612) 8.893 23.626 ( -0.000 4.599 7.612) 8.893 26.813 ( -0.000 2.557 -3.706) 4.502 26.813 ( -0.000 2.557 3.706) 4.502 ======================= Grid point 571 (171/186) ======================= q-point: ( 0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.313 ( 7.816 -0.000 -7.054) 10.529 3.313 ( 7.816 -0.000 7.054) 10.529 3.866 ( 18.156 -0.000 -17.721) 25.371 3.866 ( 18.156 -0.000 17.721) 25.371 4.527 ( 21.713 -0.000 -12.012) 24.814 4.527 ( 21.713 -0.000 12.012) 24.814 5.030 ( 1.314 -0.000 -2.881) 3.167 5.030 ( 1.314 -0.000 2.881) 3.167 6.265 ( -21.322 0.000 -0.344) 21.325 6.265 ( -21.322 0.000 0.344) 21.325 6.836 ( -6.788 0.000 -1.789) 7.020 6.836 ( -6.788 0.000 1.789) 7.020 7.153 ( 3.553 -0.000 -28.439) 28.660 7.153 ( 3.553 -0.000 28.439) 28.660 8.581 ( 4.959 -0.000 -2.817) 5.704 8.581 ( 4.959 -0.000 2.817) 5.704 9.321 ( -12.236 0.000 -4.211) 12.941 9.321 ( -12.236 0.000 4.211) 12.941 10.012 ( -2.210 0.000 -2.538) 3.365 10.012 ( -2.210 0.000 2.538) 3.365 10.770 ( -7.638 0.000 -3.486) 8.396 10.770 ( -7.638 0.000 3.486) 8.396 12.166 ( 17.797 -0.000 -2.646) 17.993 12.166 ( 17.797 -0.000 2.646) 17.993 15.276 ( 2.546 -0.000 -4.850) 5.477 15.276 ( 2.546 -0.000 4.850) 5.477 20.479 ( 2.293 -0.000 -5.555) 6.010 20.479 ( 2.293 -0.000 5.555) 6.010 20.986 ( -5.037 0.000 -4.795) 6.955 20.986 ( -5.037 0.000 4.795) 6.955 22.601 ( -9.923 0.000 -8.329) 12.956 22.601 ( -9.923 0.000 8.329) 12.956 23.742 ( 7.967 -0.000 -5.599) 9.738 23.742 ( 7.967 -0.000 5.599) 9.738 27.060 ( 10.449 -0.000 -8.881) 13.713 27.060 ( 10.449 -0.000 8.881) 13.713 ======================= Grid point 573 (172/186) ======================= q-point: ( 0.30 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.446 ( 11.819 -3.723 -6.350) 13.924 3.446 ( 11.819 -3.723 6.350) 13.924 4.090 ( 18.867 -3.114 -16.273) 25.110 4.090 ( 18.867 -3.114 16.273) 25.110 4.753 ( 12.774 -3.199 -11.593) 17.545 4.753 ( 12.774 -3.199 11.593) 17.545 5.088 ( 4.992 -3.666 -6.133) 8.716 5.088 ( 4.992 -3.666 6.133) 8.716 5.995 ( -20.700 5.467 -2.802) 21.592 5.995 ( -20.700 5.467 2.802) 21.592 6.643 ( -13.250 9.684 -7.270) 17.950 6.643 ( -13.250 9.684 7.270) 17.950 7.265 ( 11.662 -5.336 -36.173) 38.380 7.265 ( 11.662 -5.336 36.173) 38.380 8.640 ( 3.282 -1.324 -2.471) 4.317 8.640 ( 3.282 -1.324 2.471) 4.317 9.209 ( -12.801 -0.999 -3.482) 13.304 9.209 ( -12.801 -0.999 3.482) 13.304 9.970 ( -1.439 2.414 -1.784) 3.328 9.970 ( -1.439 2.414 1.784) 3.328 10.717 ( -7.035 -2.813 -4.969) 9.060 10.717 ( -7.035 -2.813 4.969) 9.060 12.298 ( 14.597 4.282 -4.914) 15.986 12.298 ( 14.597 4.282 4.914) 15.986 15.333 ( 3.165 -3.106 -5.322) 6.927 15.333 ( 3.165 -3.106 5.322) 6.927 20.530 ( 2.764 -2.871 -5.750) 6.996 20.530 ( 2.764 -2.871 5.750) 6.996 20.946 ( -4.822 -1.287 -5.664) 7.550 20.946 ( -4.822 -1.287 5.664) 7.550 22.510 ( -9.312 -0.798 -10.116) 13.772 22.510 ( -9.312 -0.798 10.116) 13.772 23.818 ( 7.971 0.631 -4.460) 9.156 23.818 ( 7.971 0.631 4.460) 9.156 27.154 ( 9.095 0.834 -11.129) 14.397 27.154 ( 9.095 0.834 11.129) 14.397 ======================= Grid point 575 (173/186) ======================= q-point: ( 0.40 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.658 ( 15.156 -4.097 -9.162) 18.177 3.658 ( 15.156 -4.097 9.162) 18.177 4.331 ( 16.915 -2.860 -14.837) 22.681 4.331 ( 16.915 -2.860 14.837) 22.681 4.852 ( 2.511 -0.288 -8.355) 8.729 4.852 ( 2.511 -0.288 8.355) 8.729 5.212 ( 0.918 -3.835 -7.532) 8.502 5.212 ( 0.918 -3.835 7.532) 8.502 5.724 ( -12.614 3.427 -4.750) 13.907 5.724 ( -12.614 3.427 4.750) 13.907 6.294 ( -16.402 11.909 -6.263) 21.215 6.294 ( -16.402 11.909 6.263) 21.215 7.569 ( 18.351 -11.668 -31.187) 38.020 7.569 ( 18.351 -11.668 31.187) 38.020 8.685 ( 0.874 -1.616 -2.984) 3.504 8.685 ( 0.874 -1.616 2.984) 3.504 9.073 ( -11.984 2.797 -2.720) 12.603 9.073 ( -11.984 2.797 2.720) 12.603 9.886 ( -1.231 6.159 -4.373) 7.653 9.886 ( -1.231 6.159 4.373) 7.653 10.745 ( -5.692 -8.216 -8.532) 13.141 10.745 ( -5.692 -8.216 8.532) 13.141 12.308 ( 9.312 8.500 -7.244) 14.541 12.308 ( 9.312 8.500 7.244) 14.541 15.435 ( 3.385 -4.284 -5.454) 7.717 15.435 ( 3.385 -4.284 5.454) 7.717 20.628 ( 2.985 -4.796 -6.784) 8.828 20.628 ( 2.985 -4.796 6.784) 8.828 20.934 ( -3.914 -2.290 -7.065) 8.395 20.934 ( -3.914 -2.290 7.065) 8.395 22.441 ( -8.375 -1.672 -10.887) 13.837 22.441 ( -8.375 -1.672 10.887) 13.837 23.880 ( 7.509 1.328 -2.722) 8.097 23.880 ( 7.509 1.328 2.722) 8.097 27.206 ( 6.330 2.302 -11.818) 13.603 27.206 ( 6.330 2.302 11.818) 13.603 ======================= Grid point 577 (174/186) ======================= q-point: ( 0.50 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.865 ( 15.754 -0.878 -11.090) 19.286 3.865 ( 15.754 -0.878 11.090) 19.286 4.475 ( 11.885 4.890 -11.100) 16.981 4.475 ( 11.885 4.890 11.100) 16.981 4.852 ( -0.494 0.250 -4.776) 4.808 4.852 ( -0.494 0.250 4.776) 4.808 5.220 ( -7.824 -4.410 -11.219) 14.372 5.220 ( -7.824 -4.410 11.219) 14.372 5.670 ( -1.635 -3.513 -11.259) 11.907 5.670 ( -1.635 -3.513 11.259) 11.907 5.936 ( -16.825 8.996 -7.455) 20.484 5.936 ( -16.825 8.996 7.455) 20.484 7.998 ( 18.763 -14.473 -21.829) 32.218 7.998 ( 18.763 -14.473 21.829) 32.218 8.712 ( -3.959 -1.437 -3.265) 5.329 8.712 ( -3.959 -1.437 3.265) 5.329 8.865 ( -4.381 9.865 -2.200) 11.016 8.865 ( -4.381 9.865 2.200) 11.016 9.748 ( -3.394 5.869 -5.828) 8.940 9.748 ( -3.394 5.869 5.828) 8.940 10.880 ( -2.750 -11.787 -10.660) 16.129 10.880 ( -2.750 -11.787 10.660) 16.129 12.203 ( 3.683 10.800 -8.557) 14.263 12.203 ( 3.683 10.800 8.557) 14.263 15.532 ( 2.851 -2.951 -5.515) 6.874 15.532 ( 2.851 -2.951 5.515) 6.874 20.745 ( 2.839 -4.889 -7.330) 9.256 20.745 ( 2.839 -4.889 7.330) 9.257 20.938 ( -3.061 -2.039 -6.474) 7.446 20.938 ( -3.061 -2.039 6.474) 7.446 22.404 ( -6.881 -3.240 -10.986) 13.362 22.404 ( -6.881 -3.240 10.986) 13.362 23.922 ( 6.648 2.179 -2.015) 7.281 23.922 ( 6.648 2.179 2.015) 7.281 27.201 ( 3.091 3.847 -11.288) 12.319 27.201 ( 3.091 3.847 11.288) 12.319 ======================= Grid point 579 (175/186) ======================= q-point: (-0.40 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.974 ( 11.914 5.149 -12.805) 18.232 3.974 ( 11.914 5.149 12.805) 18.232 4.435 ( 6.586 7.803 -8.962) 13.586 4.435 ( 6.586 7.803 8.962) 13.586 4.833 ( -2.654 1.242 -7.211) 7.784 4.833 ( -2.654 1.242 7.211) 7.784 5.255 ( -3.549 -5.542 -14.681) 16.088 5.255 ( -3.549 -5.542 14.681) 16.088 5.620 ( -13.561 3.674 -10.210) 17.367 5.620 ( -13.561 3.674 10.210) 17.367 5.821 ( 0.237 -9.289 -10.287) 13.863 5.821 ( 0.237 -9.289 10.287) 13.863 8.308 ( 1.104 4.871 -0.602) 5.031 8.308 ( 1.104 4.871 0.602) 5.031 8.553 ( 5.171 2.592 -5.875) 8.244 8.553 ( 5.171 2.592 5.875) 8.244 8.831 ( 1.928 -2.989 -5.749) 6.760 8.831 ( 1.928 -2.989 5.749) 6.760 9.660 ( -3.379 -0.582 -3.982) 5.255 9.660 ( -3.379 -0.582 3.982) 5.255 11.074 ( 0.687 -11.316 -10.750) 15.623 11.074 ( 0.687 -11.316 10.750) 15.623 12.021 ( -1.251 11.452 -9.048) 14.649 12.021 ( -1.251 11.452 9.048) 14.649 15.584 ( 1.741 -0.189 -5.311) 5.592 15.584 ( 1.741 -0.189 5.311) 5.592 20.834 ( 2.051 -1.540 -3.796) 4.581 20.834 ( 2.051 -1.540 3.796) 4.581 20.942 ( -2.177 -2.194 -3.753) 4.862 20.942 ( -2.177 -2.194 3.753) 4.862 22.421 ( -4.527 -5.529 -10.119) 12.387 22.421 ( -4.527 -5.529 10.119) 12.387 23.934 ( 5.086 3.417 -4.177) 7.415 23.934 ( 5.086 3.417 4.177) 7.415 27.140 ( 0.348 5.028 -10.103) 11.291 27.140 ( 0.348 5.028 10.103) 11.291 ======================= Grid point 581 (176/186) ======================= q-point: (-0.30 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.951 ( 7.829 7.492 -14.253) 17.905 3.951 ( 7.829 7.492 14.254) 17.905 4.315 ( -0.559 12.326 -15.163) 19.549 4.315 ( -0.559 12.326 15.163) 19.549 4.784 ( -2.582 -0.229 -14.102) 14.338 4.784 ( -2.582 -0.229 14.102) 14.338 5.324 ( 3.342 -1.070 -17.309) 17.661 5.324 ( 3.342 -1.070 17.309) 17.661 5.478 ( -10.595 -3.835 -10.044) 15.094 5.478 ( -10.595 -3.835 10.044) 15.094 6.052 ( 1.603 -14.550 -7.417) 16.410 6.052 ( 1.603 -14.550 7.417) 16.410 7.918 ( -3.758 25.869 -15.599) 30.441 7.918 ( -3.758 25.869 15.599) 30.441 8.732 ( 9.158 -1.994 -4.907) 10.580 8.732 ( 9.158 -1.994 4.907) 10.580 8.942 ( -3.596 -12.352 -9.083) 15.748 8.942 ( -3.596 -12.352 9.083) 15.748 9.701 ( 0.116 -5.037 -3.228) 5.983 9.701 ( 0.116 -5.037 3.228) 5.983 11.273 ( 3.973 -8.793 -9.965) 13.871 11.273 ( 3.973 -8.793 9.965) 13.871 11.792 ( -4.728 11.279 -9.125) 15.259 11.792 ( -4.728 11.279 9.125) 15.259 15.574 ( 0.597 2.670 -4.627) 5.375 15.574 ( 0.597 2.670 4.627) 5.375 20.817 ( 0.059 3.899 -9.698) 10.452 20.817 ( 0.059 3.899 9.698) 10.452 20.986 ( -0.214 -3.515 -14.213) 14.643 20.986 ( -0.214 -3.515 14.213) 14.643 22.501 ( -1.842 -7.231 -8.249) 11.123 22.501 ( -1.842 -7.231 8.249) 11.123 23.902 ( 2.679 4.884 -6.608) 8.643 23.902 ( 2.679 4.884 6.608) 8.643 27.043 ( -0.920 5.483 -8.690) 10.316 27.043 ( -0.920 5.483 8.690) 10.316 ======================= Grid point 583 (177/186) ======================= q-point: (-0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.897 ( -0.000 5.064 -11.029) 12.136 3.897 ( -0.000 5.064 11.029) 12.136 4.020 ( -0.000 17.321 -21.112) 27.308 4.020 ( -0.000 17.321 21.112) 27.308 4.746 ( -0.000 5.372 -14.975) 15.910 4.746 ( -0.000 5.372 14.975) 15.910 5.277 ( -0.000 5.736 -20.461) 21.250 5.277 ( -0.000 5.736 20.461) 21.250 5.633 ( 0.000 -17.579 -6.306) 18.676 5.633 ( 0.000 -17.579 6.306) 18.676 6.316 ( 0.000 -14.262 -6.589) 15.711 6.316 ( 0.000 -14.262 6.589) 15.711 7.460 ( -0.000 23.285 -24.187) 33.574 7.460 ( -0.000 23.285 24.187) 33.574 8.760 ( -0.000 2.063 -5.187) 5.582 8.760 ( -0.000 2.063 5.187) 5.582 9.187 ( 0.000 -16.681 -8.373) 18.664 9.187 ( 0.000 -16.681 8.373) 18.664 9.786 ( 0.000 -3.383 -4.290) 5.463 9.786 ( 0.000 -3.383 4.290) 5.463 11.445 ( 0.000 -6.708 -10.187) 12.197 11.445 ( 0.000 -6.708 10.187) 12.197 11.551 ( -0.000 11.547 -10.135) 15.364 11.551 ( -0.000 11.547 10.135) 15.364 15.511 ( -0.000 4.695 -3.424) 5.811 15.511 ( -0.000 4.695 3.424) 5.811 20.729 ( -0.000 5.874 -9.568) 11.227 20.729 ( -0.000 5.874 9.568) 11.227 21.039 ( 0.000 -2.519 -15.201) 15.408 21.039 ( 0.000 -2.519 15.201) 15.408 22.620 ( 0.000 -7.180 -6.023) 9.372 22.620 ( 0.000 -7.180 6.023) 9.372 23.821 ( -0.000 5.928 -8.011) 9.966 23.821 ( -0.000 5.928 8.011) 9.966 26.945 ( -0.000 4.969 -7.092) 8.660 26.945 ( -0.000 4.969 7.092) 8.660 ======================= Grid point 593 (178/186) ======================= q-point: ( 0.30 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.543 ( 14.665 -0.000 -1.660) 14.758 3.543 ( 14.665 -0.000 1.660) 14.758 4.274 ( 19.958 -0.000 -11.589) 23.079 4.274 ( 19.958 -0.000 11.589) 23.079 4.841 ( 8.354 -0.000 -9.366) 12.550 4.841 ( 8.354 -0.000 9.366) 12.550 5.116 ( 6.947 -0.000 -4.104) 8.069 5.116 ( 6.947 -0.000 4.104) 8.069 5.835 ( -19.027 0.000 -0.356) 19.030 5.835 ( -19.027 0.000 0.356) 19.030 6.589 ( -16.347 0.000 -8.545) 18.446 6.589 ( -16.347 0.000 8.545) 18.446 7.319 ( 11.820 -0.000 -31.924) 34.042 7.319 ( 11.820 -0.000 31.924) 34.042 8.649 ( 0.105 -0.000 -3.350) 3.351 8.649 ( 0.105 -0.000 3.350) 3.351 9.089 ( -9.201 0.000 -0.884) 9.244 9.089 ( -9.201 0.000 0.884) 9.244 9.974 ( -0.412 0.000 -0.446) 0.607 9.974 ( -0.412 0.000 0.446) 0.607 10.619 ( -7.987 0.000 -3.195) 8.602 10.619 ( -7.987 0.000 3.195) 8.602 12.485 ( 13.299 -0.000 -3.531) 13.759 12.485 ( 13.299 -0.000 3.531) 13.759 15.338 ( 3.297 -0.000 -6.652) 7.424 15.338 ( 3.297 -0.000 6.652) 7.424 20.535 ( 3.151 -0.000 -4.460) 5.460 20.535 ( 3.151 -0.000 4.460) 5.461 20.882 ( -5.060 0.000 -3.173) 5.972 20.882 ( -5.060 0.000 3.173) 5.972 22.415 ( -7.976 0.000 -12.328) 14.683 22.415 ( -7.976 0.000 12.328) 14.683 23.903 ( 7.495 -0.000 -3.762) 8.387 23.903 ( 7.495 -0.000 3.762) 8.387 27.251 ( 7.974 -0.000 -13.902) 16.027 27.251 ( 7.974 -0.000 13.902) 16.027 ======================= Grid point 595 (179/186) ======================= q-point: ( 0.40 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.745 ( 17.261 -4.109 -5.810) 18.671 3.745 ( 17.261 -4.109 5.810) 18.671 4.464 ( 13.929 -1.951 -9.944) 17.226 4.464 ( 13.929 -1.951 9.944) 17.226 4.905 ( 6.424 0.903 -6.597) 9.253 4.905 ( 6.424 0.903 6.597) 9.253 5.176 ( -0.219 0.159 -3.319) 3.330 5.176 ( -0.219 0.159 3.319) 3.330 5.658 ( -9.211 1.798 -6.419) 11.370 5.658 ( -9.211 1.798 6.419) 11.370 6.308 ( -19.369 10.084 -8.506) 23.435 6.308 ( -19.369 10.084 8.506) 23.435 7.549 ( 15.499 -10.217 -26.144) 32.064 7.549 ( 15.499 -10.217 26.144) 32.064 8.634 ( -5.049 -1.229 -4.497) 6.872 8.634 ( -5.049 -1.229 4.497) 6.872 9.011 ( -5.614 0.705 -1.181) 5.780 9.011 ( -5.614 0.705 1.181) 5.780 9.966 ( 1.804 2.685 -1.506) 3.568 9.966 ( 1.804 2.685 1.506) 3.568 10.564 ( -8.380 -4.082 -5.612) 10.880 10.564 ( -8.380 -4.082 5.612) 10.880 12.544 ( 9.454 6.723 -5.032) 12.645 12.544 ( 9.454 6.723 5.032) 12.645 15.400 ( 3.128 -3.234 -7.185) 8.477 15.400 ( 3.128 -3.234 7.185) 8.477 20.593 ( 3.319 -2.788 -4.627) 6.340 20.593 ( 3.319 -2.788 4.627) 6.340 20.850 ( -4.456 -2.002 -3.918) 6.262 20.850 ( -4.456 -2.002 3.918) 6.262 22.346 ( -6.480 -0.494 -13.388) 14.882 22.346 ( -6.480 -0.494 13.388) 14.882 23.968 ( 6.371 0.600 -2.596) 6.906 23.968 ( 6.371 0.600 2.596) 6.906 27.306 ( 5.704 1.798 -15.038) 16.184 27.306 ( 5.704 1.798 15.038) 16.184 ======================= Grid point 597 (180/186) ======================= q-point: ( 0.50 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.996 ( 17.514 -3.182 -10.184) 20.508 3.996 ( 17.514 -3.182 10.184) 20.508 4.612 ( 3.569 -3.999 -8.466) 10.020 4.612 ( 3.569 -3.999 8.466) 10.020 4.944 ( 11.271 6.808 -8.310) 15.571 4.944 ( 11.271 6.808 8.310) 15.571 5.082 ( -8.204 0.541 -9.206) 12.343 5.082 ( -8.204 0.541 9.206) 12.343 5.613 ( -2.036 -0.871 -14.142) 14.314 5.613 ( -2.036 -0.871 14.142) 14.314 5.919 ( -19.169 10.013 -9.171) 23.491 5.919 ( -19.169 10.013 9.172) 23.491 7.939 ( 16.891 -14.117 -18.465) 28.732 7.939 ( 16.891 -14.117 18.465) 28.732 8.597 ( -8.773 -2.795 -5.530) 10.740 8.597 ( -8.773 -2.795 5.530) 10.740 8.945 ( -1.642 2.750 -2.014) 3.784 8.945 ( -1.642 2.750 2.014) 3.784 9.874 ( 0.336 9.579 -5.592) 11.097 9.874 ( 0.336 9.579 5.592) 11.097 10.628 ( -5.358 -11.707 -10.079) 16.351 10.628 ( -5.358 -11.707 10.079) 16.351 12.451 ( 4.817 11.898 -7.202) 14.719 12.451 ( 4.817 11.898 7.202) 14.719 15.497 ( 2.447 -4.162 -7.189) 8.660 15.497 ( 2.447 -4.162 7.189) 8.660 20.691 ( 3.130 -4.542 -6.224) 8.317 20.691 ( 3.130 -4.542 6.224) 8.317 20.857 ( -3.560 -3.160 -5.641) 7.381 20.857 ( -3.560 -3.160 5.641) 7.381 22.303 ( -4.846 -1.347 -13.871) 14.755 22.303 ( -4.846 -1.347 13.871) 14.755 24.010 ( 4.881 1.149 -1.930) 5.373 24.010 ( 4.881 1.149 1.930) 5.373 27.302 ( 3.065 3.830 -14.686) 15.484 27.302 ( 3.065 3.830 14.686) 15.484 ======================= Grid point 599 (181/186) ======================= q-point: ( 0.60 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.156 ( 10.687 2.720 -15.883) 19.336 4.156 ( 10.687 2.720 15.883) 19.336 4.631 ( -0.380 3.025 -10.395) 10.832 4.631 ( -0.380 3.025 10.395) 10.832 4.861 ( 2.326 6.826 -6.460) 9.682 4.861 ( 2.326 6.826 6.460) 9.682 5.142 ( 5.008 -4.966 -14.605) 16.219 5.142 ( 5.008 -4.966 14.605) 16.219 5.505 ( -16.700 1.398 -8.547) 18.812 5.505 ( -16.700 1.398 8.547) 18.812 5.732 ( -0.757 -1.280 -20.631) 20.685 5.732 ( -0.757 -1.280 20.631) 20.685 8.302 ( 9.807 -8.841 -7.205) 15.042 8.302 ( 9.807 -8.841 7.205) 15.042 8.560 ( -6.173 -2.855 -9.142) 11.395 8.560 ( -6.173 -2.855 9.142) 11.395 8.886 ( 1.555 4.021 -3.973) 5.863 8.886 ( 1.555 4.021 3.973) 5.863 9.690 ( -1.749 8.426 -6.569) 10.827 9.690 ( -1.749 8.426 6.569) 10.827 10.833 ( -1.508 -14.929 -11.904) 19.153 10.833 ( -1.508 -14.929 11.904) 19.153 12.251 ( 1.108 14.191 -8.972) 16.826 12.251 ( 1.108 14.191 8.972) 16.826 15.577 ( 1.243 -2.538 -6.818) 7.380 15.577 ( 1.243 -2.538 6.818) 7.380 20.803 ( 2.756 -4.651 -7.557) 9.292 20.803 ( 2.756 -4.651 7.557) 9.292 20.876 ( -2.851 -2.491 -6.145) 7.218 20.876 ( -2.851 -2.491 6.146) 7.218 22.304 ( -2.633 -3.390 -13.432) 14.101 22.304 ( -2.633 -3.390 13.432) 14.101 24.023 ( 2.779 2.064 -3.395) 4.849 24.023 ( 2.779 2.064 3.395) 4.849 27.240 ( 0.888 5.430 -13.275) 14.370 27.240 ( 0.888 5.430 13.275) 14.370 ======================= Grid point 601 (182/186) ======================= q-point: (-0.30 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.112 ( -0.000 6.978 -16.632) 18.037 4.112 ( -0.000 6.978 16.632) 18.037 4.539 ( -0.000 9.962 -17.473) 20.113 4.539 ( -0.000 9.962 17.473) 20.113 4.771 ( -0.000 2.494 -13.311) 13.542 4.771 ( -0.000 2.494 13.311) 13.542 5.259 ( 0.000 -5.829 -18.406) 19.307 5.259 ( 0.000 -5.829 18.406) 19.307 5.413 ( -0.000 0.267 -20.280) 20.282 5.413 ( -0.000 0.267 20.280) 20.282 5.833 ( 0.000 -10.243 -13.062) 16.599 5.833 ( 0.000 -10.243 13.062) 16.599 8.275 ( -0.000 15.048 -7.289) 16.720 8.275 ( -0.000 15.048 7.289) 16.720 8.680 ( 0.000 -11.397 -12.759) 17.108 8.680 ( 0.000 -11.397 12.759) 17.108 8.828 ( -0.000 3.111 -5.030) 5.914 8.828 ( -0.000 3.111 5.030) 5.914 9.622 ( 0.000 -2.010 -3.610) 4.132 9.622 ( 0.000 -2.010 3.610) 4.132 11.082 ( 0.000 -13.874 -12.083) 18.398 11.082 ( 0.000 -13.874 12.083) 18.398 12.004 ( -0.000 14.303 -10.218) 17.578 12.004 ( -0.000 14.303 10.218) 17.578 15.603 ( -0.000 0.200 -5.977) 5.980 15.603 ( -0.000 0.200 5.977) 5.980 20.864 ( -0.000 1.145 -10.571) 10.632 20.864 ( -0.000 1.145 10.571) 10.632 20.910 ( 0.000 -4.825 -13.588) 14.419 20.910 ( 0.000 -4.825 13.588) 14.419 22.373 ( 0.000 -6.016 -11.395) 12.885 22.373 ( 0.000 -6.016 11.395) 12.885 23.990 ( -0.000 3.489 -5.387) 6.418 23.990 ( -0.000 3.489 5.387) 6.418 27.142 ( -0.000 6.078 -11.200) 12.743 27.142 ( -0.000 6.078 11.200) 12.743 ======================= Grid point 615 (183/186) ======================= q-point: ( 0.40 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.890 ( 19.152 -0.000 -6.515) 20.229 3.890 ( 19.152 -0.000 6.515) 20.229 4.511 ( -0.573 0.000 -1.869) 1.955 4.511 ( -0.573 0.000 1.869) 1.955 4.962 ( 2.123 -0.000 -3.039) 3.707 4.962 ( 2.123 -0.000 3.039) 3.707 5.231 ( 8.561 -0.000 -2.138) 8.824 5.231 ( 8.561 -0.000 2.138) 8.824 5.615 ( -1.336 0.000 -7.426) 7.545 5.615 ( -1.336 0.000 7.426) 7.545 6.203 ( -21.204 0.000 -8.957) 23.018 6.203 ( -21.204 0.000 8.957) 23.018 7.586 ( 13.024 -0.000 -17.123) 21.513 7.586 ( 13.024 -0.000 17.123) 21.513 8.559 ( -7.402 0.000 -11.715) 13.857 8.559 ( -7.402 0.000 11.715) 13.857 8.978 ( -2.568 0.000 -2.454) 3.552 8.978 ( -2.568 0.000 2.454) 3.552 10.024 ( 5.416 -0.000 -0.212) 5.420 10.024 ( 5.416 -0.000 0.212) 5.420 10.437 ( -9.808 0.000 -4.040) 10.608 10.437 ( -9.808 0.000 4.040) 10.608 12.693 ( 7.019 -0.000 -3.602) 7.889 12.693 ( 7.019 -0.000 3.602) 7.889 15.398 ( 2.346 -0.000 -8.213) 8.541 15.398 ( 2.346 -0.000 8.213) 8.541 20.603 ( 3.356 -0.000 -2.482) 4.174 20.603 ( 3.356 -0.000 2.482) 4.174 20.787 ( -4.144 0.000 -0.940) 4.250 20.787 ( -4.144 0.000 0.940) 4.250 22.289 ( -4.327 0.000 -14.478) 15.111 22.289 ( -4.327 0.000 14.478) 15.111 24.028 ( 4.491 -0.000 -2.111) 4.962 24.028 ( 4.491 -0.000 2.111) 4.962 27.373 ( 4.009 -0.000 -16.772) 17.245 27.373 ( 4.009 -0.000 16.772) 17.245 ======================= Grid point 617 (184/186) ======================= q-point: ( 0.50 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.123 ( 19.358 -3.308 -6.715) 20.755 4.123 ( 19.358 -3.308 6.715) 20.755 4.474 ( -11.955 -3.878 -7.200) 14.485 4.474 ( -11.955 -3.878 7.200) 14.485 4.969 ( -2.411 -1.463 -9.072) 9.500 4.969 ( -2.411 -1.463 9.072) 9.500 5.301 ( 16.306 6.192 -6.307) 18.547 5.301 ( 16.306 6.191 6.307) 18.547 5.617 ( 2.151 2.847 -9.926) 10.548 5.617 ( 2.151 2.847 9.926) 10.548 5.886 ( -20.803 9.052 -7.208) 23.805 5.886 ( -20.803 9.052 7.208) 23.805 7.832 ( 9.912 -13.433 -8.860) 18.899 7.832 ( 9.912 -13.433 8.860) 18.899 8.487 ( -6.580 -0.074 -17.502) 18.698 8.487 ( -6.580 -0.074 17.502) 18.698 8.954 ( -1.115 0.633 -2.672) 2.963 8.954 ( -1.115 0.633 2.672) 2.963 10.042 ( 4.286 6.104 -4.016) 8.471 10.042 ( 4.286 6.104 4.016) 8.471 10.398 ( -6.517 -7.254 -8.167) 12.720 10.398 ( -6.517 -7.254 8.167) 12.720 12.674 ( 3.260 8.045 -4.895) 9.966 12.674 ( 3.260 8.045 4.895) 9.966 15.448 ( 1.307 -3.338 -8.376) 9.110 15.448 ( 1.307 -3.338 8.376) 9.110 20.658 ( 2.682 -2.650 -3.659) 5.254 20.658 ( 2.682 -2.650 3.659) 5.254 20.771 ( -2.997 -2.378 -3.549) 5.218 20.771 ( -2.997 -2.378 3.549) 5.218 22.256 ( -2.295 -0.154 -14.981) 15.157 22.256 ( -2.295 -0.154 14.981) 15.157 24.060 ( 2.415 0.362 -1.621) 2.931 24.060 ( 2.415 0.362 1.621) 2.931 27.382 ( 1.868 2.346 -16.913) 17.177 27.382 ( 1.868 2.346 16.913) 17.177 ======================= Grid point 619 (185/186) ======================= q-point: (-0.40 -0.60 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.270 ( -0.000 2.100 -18.736) 18.853 4.270 ( -0.000 2.100 18.736) 18.853 4.505 ( 0.000 -9.995 -19.695) 22.086 4.505 ( 0.000 -9.995 19.695) 22.086 4.967 ( -0.000 0.828 -12.149) 12.178 4.967 ( -0.000 0.828 12.149) 12.178 5.345 ( -0.000 16.220 -7.816) 18.005 5.345 ( -0.000 16.220 7.816) 18.005 5.387 ( -0.000 1.325 -10.193) 10.279 5.387 ( -0.000 1.325 10.193) 10.279 5.721 ( -0.000 0.431 -20.200) 20.205 5.721 ( -0.000 0.431 20.200) 20.205 8.161 ( 0.000 -15.581 -4.105) 16.113 8.161 ( 0.000 -15.581 4.105) 16.113 8.456 ( 0.000 -1.761 -19.733) 19.812 8.456 ( 0.000 -1.761 19.733) 19.812 8.933 ( -0.000 1.333 -3.006) 3.288 8.933 ( -0.000 1.333 3.006) 3.288 9.884 ( -0.000 12.613 -6.743) 14.302 9.884 ( -0.000 12.613 6.743) 14.302 10.565 ( 0.000 -14.105 -11.241) 18.036 10.565 ( 0.000 -14.105 11.241) 18.036 12.500 ( -0.000 13.141 -7.140) 14.956 12.500 ( -0.000 13.141 7.140) 14.956 15.523 ( 0.000 -4.139 -7.858) 8.881 15.523 ( 0.000 -4.139 7.858) 8.881 20.737 ( 0.000 -4.493 -7.869) 9.061 20.737 ( 0.000 -4.493 7.869) 9.061 20.807 ( 0.000 -3.367 -7.774) 8.472 20.807 ( 0.000 -3.367 7.774) 8.472 22.253 ( 0.000 -1.116 -14.938) 14.980 22.253 ( 0.000 -1.116 14.938) 14.980 24.062 ( -0.000 0.934 -2.188) 2.379 24.062 ( -0.000 0.934 2.188) 2.379 27.332 ( -0.000 4.398 -15.656) 16.262 27.332 ( -0.000 4.398 15.656) 16.262 ======================= Grid point 641 (186/186) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.263 ( -0.000 0.000 -24.265) 24.265 4.263 ( -0.000 0.000 24.265) 24.265 4.304 ( 0.000 -0.000 -14.027) 14.027 4.304 ( 0.000 -0.000 14.027) 14.027 4.943 ( 0.000 -0.000 -4.760) 4.760 4.943 ( 0.000 -0.000 4.760) 4.760 5.420 ( 0.000 -0.000 -4.088) 4.088 5.420 ( 0.000 -0.000 4.088) 4.088 5.740 ( 0.000 -0.000 -3.839) 3.839 5.740 ( 0.000 -0.000 3.839) 3.839 5.808 ( -0.000 0.000 -10.565) 10.565 5.808 ( -0.000 0.000 10.565) 10.565 7.747 ( 0.000 -0.000 -3.711) 3.711 7.747 ( 0.000 -0.000 3.711) 3.711 8.457 ( -0.000 0.000 -23.056) 23.056 8.457 ( -0.000 0.000 23.056) 23.056 8.954 ( 0.000 -0.000 -2.715) 2.715 8.954 ( 0.000 -0.000 2.715) 2.715 10.135 ( 0.000 -0.000 -4.683) 4.683 10.135 ( 0.000 -0.000 4.683) 4.683 10.282 ( -0.000 0.000 -8.238) 8.238 10.282 ( 0.000 -0.000 8.238) 8.238 12.764 ( 0.000 -0.000 -3.526) 3.526 12.764 ( 0.000 -0.000 3.526) 3.526 15.423 ( 0.000 -0.000 -8.821) 8.821 15.423 ( 0.000 -0.000 8.821) 8.821 20.651 ( 0.000 -0.000 -0.108) 0.108 20.651 ( 0.000 -0.000 0.108) 0.108 20.732 ( -0.000 0.000 -1.477) 1.477 20.732 ( 0.000 -0.000 1.477) 1.477 22.244 ( 0.000 -0.000 -15.163) 15.163 22.244 ( 0.000 -0.000 15.163) 15.163 24.075 ( 0.000 -0.000 -1.462) 1.462 24.075 ( 0.000 -0.000 1.462) 1.462 27.413 ( 0.000 -0.000 -17.678) 17.678 27.413 ( 0.000 -0.000 17.678) 17.678 =================== 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 3/36000 10.0 1587.153 681.489 1085.487 0.000 0.000 -0.000 3/36000 20.0 1817.429 1093.045 1263.011 0.000 0.000 -0.000 3/36000 30.0 760.270 658.089 654.124 0.000 0.000 -0.000 3/36000 40.0 417.304 411.461 380.070 0.000 0.000 -0.000 3/36000 50.0 270.069 282.822 258.249 0.000 0.000 -0.000 3/36000 60.0 192.310 208.017 191.405 0.000 0.000 -0.000 3/36000 70.0 145.844 160.525 149.929 0.000 0.000 -0.000 3/36000 80.0 115.839 128.726 122.245 0.000 0.000 -0.000 3/36000 90.0 95.338 106.527 102.760 0.000 0.000 -0.000 3/36000 100.0 80.672 90.435 88.443 0.000 0.000 -0.000 3/36000 110.0 69.772 78.372 77.545 0.000 0.000 -0.000 3/36000 120.0 61.405 69.059 69.003 0.000 0.000 -0.000 3/36000 130.0 54.808 61.683 62.145 0.000 0.000 -0.000 3/36000 140.0 49.485 55.714 56.526 0.000 0.000 -0.000 3/36000 150.0 45.107 50.794 51.844 0.000 0.000 -0.000 3/36000 160.0 41.448 46.673 47.886 0.000 0.000 -0.000 3/36000 170.0 38.346 43.174 44.499 0.000 0.000 -0.000 3/36000 180.0 35.685 40.168 41.568 0.000 0.000 -0.000 3/36000 190.0 33.377 37.558 39.009 0.000 0.000 -0.000 3/36000 200.0 31.358 35.273 36.756 0.000 0.000 -0.000 3/36000 210.0 29.576 33.255 34.757 0.000 0.000 -0.000 3/36000 220.0 27.993 31.460 32.971 0.000 0.000 -0.000 3/36000 230.0 26.577 29.854 31.368 0.000 0.000 -0.000 3/36000 240.0 25.303 28.408 29.919 0.000 0.000 -0.000 3/36000 250.0 24.150 27.099 28.604 0.000 0.000 -0.000 3/36000 260.0 23.103 25.910 27.404 0.000 0.000 -0.000 3/36000 270.0 22.147 24.823 26.306 0.000 0.000 -0.000 3/36000 280.0 21.270 23.827 25.296 0.000 0.000 -0.000 3/36000 290.0 20.464 22.911 24.365 0.000 0.000 -0.000 3/36000 300.0 19.719 22.065 23.503 0.000 0.000 -0.000 3/36000 310.0 19.029 21.281 22.702 0.000 0.000 -0.000 3/36000 320.0 18.388 20.553 21.957 0.000 0.000 -0.000 3/36000 330.0 17.791 19.875 21.261 0.000 0.000 -0.000 3/36000 340.0 17.233 19.241 20.610 0.000 0.000 -0.000 3/36000 350.0 16.711 18.648 19.999 0.000 0.000 -0.000 3/36000 360.0 16.221 18.092 19.425 0.000 0.000 -0.000 3/36000 370.0 15.760 17.569 18.884 0.000 0.000 -0.000 3/36000 380.0 15.325 17.077 18.374 0.000 0.000 -0.000 3/36000 390.0 14.915 16.612 17.892 0.000 0.000 -0.000 3/36000 400.0 14.527 16.173 17.435 0.000 0.000 -0.000 3/36000 410.0 14.160 15.757 17.001 0.000 0.000 -0.000 3/36000 420.0 13.812 15.362 16.590 0.000 0.000 -0.000 3/36000 430.0 13.480 14.988 16.198 0.000 0.000 -0.000 3/36000 440.0 13.165 14.632 15.826 0.000 0.000 -0.000 3/36000 450.0 12.865 14.292 15.470 0.000 0.000 -0.000 3/36000 460.0 12.579 13.969 15.131 0.000 0.000 -0.000 3/36000 470.0 12.305 13.660 14.806 0.000 0.000 -0.000 3/36000 480.0 12.043 13.365 14.496 0.000 0.000 -0.000 3/36000 490.0 11.793 13.083 14.198 0.000 0.000 -0.000 3/36000 500.0 11.553 12.813 13.913 0.000 0.000 -0.000 3/36000 510.0 11.323 12.554 13.639 0.000 0.000 -0.000 3/36000 520.0 11.102 12.305 13.376 0.000 0.000 -0.000 3/36000 530.0 10.890 12.066 13.124 0.000 0.000 -0.000 3/36000 540.0 10.686 11.837 12.880 0.000 0.000 -0.000 3/36000 550.0 10.490 11.616 12.646 0.000 0.000 -0.000 3/36000 560.0 10.301 11.404 12.421 0.000 0.000 -0.000 3/36000 570.0 10.118 11.199 12.203 0.000 0.000 -0.000 3/36000 580.0 9.943 11.002 11.993 0.000 0.000 -0.000 3/36000 590.0 9.773 10.812 11.790 0.000 0.000 -0.000 3/36000 600.0 9.609 10.628 11.594 0.000 0.000 -0.000 3/36000 610.0 9.451 10.451 11.405 0.000 0.000 -0.000 3/36000 620.0 9.298 10.279 11.222 0.000 0.000 -0.000 3/36000 630.0 9.149 10.113 11.044 0.000 0.000 -0.000 3/36000 640.0 9.006 9.953 10.873 0.000 0.000 -0.000 3/36000 650.0 8.867 9.797 10.706 0.000 0.000 -0.000 3/36000 660.0 8.732 9.647 10.545 0.000 0.000 -0.000 3/36000 670.0 8.602 9.501 10.388 0.000 0.000 -0.000 3/36000 680.0 8.475 9.359 10.236 0.000 0.000 -0.000 3/36000 690.0 8.352 9.222 10.089 0.000 0.000 -0.000 3/36000 700.0 8.233 9.088 9.946 0.000 0.000 -0.000 3/36000 710.0 8.117 8.959 9.807 0.000 0.000 -0.000 3/36000 720.0 8.004 8.833 9.671 0.000 0.000 -0.000 3/36000 730.0 7.894 8.711 9.540 0.000 0.000 -0.000 3/36000 740.0 7.788 8.592 9.412 0.000 0.000 -0.000 3/36000 750.0 7.684 8.476 9.287 0.000 0.000 -0.000 3/36000 760.0 7.583 8.364 9.166 0.000 0.000 -0.000 3/36000 770.0 7.484 8.254 9.048 0.000 0.000 -0.000 3/36000 780.0 7.389 8.148 8.932 0.000 0.000 -0.000 3/36000 790.0 7.295 8.044 8.820 0.000 0.000 -0.000 3/36000 800.0 7.204 7.943 8.711 0.000 0.000 -0.000 3/36000 810.0 7.116 7.844 8.604 0.000 0.000 -0.000 3/36000 820.0 7.029 7.747 8.500 0.000 0.000 -0.000 3/36000 830.0 6.944 7.654 8.398 0.000 0.000 -0.000 3/36000 840.0 6.862 7.562 8.299 0.000 0.000 -0.000 3/36000 850.0 6.782 7.472 8.202 0.000 0.000 -0.000 3/36000 860.0 6.703 7.385 8.108 0.000 0.000 -0.000 3/36000 870.0 6.626 7.300 8.015 0.000 0.000 -0.000 3/36000 880.0 6.551 7.216 7.925 0.000 0.000 -0.000 3/36000 890.0 6.478 7.135 7.837 0.000 0.000 -0.000 3/36000 900.0 6.406 7.055 7.750 0.000 0.000 -0.000 3/36000 910.0 6.336 6.977 7.666 0.000 0.000 -0.000 3/36000 920.0 6.267 6.901 7.583 0.000 0.000 -0.000 3/36000 930.0 6.200 6.827 7.502 0.000 0.000 -0.000 3/36000 940.0 6.134 6.754 7.423 0.000 0.000 -0.000 3/36000 950.0 6.070 6.683 7.346 0.000 0.000 -0.000 3/36000 960.0 6.007 6.613 7.270 0.000 0.000 -0.000 3/36000 970.0 5.945 6.544 7.195 0.000 0.000 -0.000 3/36000 980.0 5.885 6.477 7.123 0.000 0.000 -0.000 3/36000 990.0 5.826 6.412 7.051 0.000 0.000 -0.000 3/36000 1000.0 5.768 6.348 6.981 0.000 0.000 -0.000 3/36000 Thermal conductivity related properties were written into "kappa-m101010.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:37:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|