----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 20:39:33]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P6_3mc (186) Number of symmetry operations in supercell: 24 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.868991391386199 0.000000000000000 0.000000000000000 b -4.434495695693100 7.680771850885943 0.000000000000000 c 0.000000000000000 0.000000000000000 6.751445800000000 Atomic positions (fractional): *1 Na 0.52993671852267 0.05987343704534 0.36232590470708 22.990 2 Na 0.47006328147733 0.52993671852267 0.86232590470708 22.990 *3 Na 0.13924982158338 0.86075017841662 0.54316532240261 22.990 4 Na 0.27849964316675 0.13924982158338 0.04316532240261 22.990 5 Na 0.86075017841662 0.72150035683325 0.04316532240261 22.990 6 Na 0.13924982158338 0.27849964316675 0.54316532240261 22.990 7 Na 0.72150035683325 0.86075017841662 0.54316532240261 22.990 8 Na 0.86075017841662 0.13924982158338 0.04316532240261 22.990 9 Na 0.52993671852267 0.47006328147733 0.36232590470708 22.990 10 Na 0.94012656295466 0.47006328147733 0.36232590470708 22.990 11 Na 0.47006328147733 0.94012656295466 0.86232590470708 22.990 12 Na 0.05987343704534 0.52993671852267 0.86232590470708 22.990 *13 S 0.19714272140195 0.39428544280389 0.14907376615197 32.065 14 S 0.60571455719611 0.80285727859805 0.14907376615197 32.065 *15 S 0.33333333333333 0.66666666666667 0.57488774863212 32.065 16 S 0.66666666666667 0.33333333333333 0.07488774863212 32.065 17 S 0.19714272140195 0.80285727859805 0.14907376615197 32.065 18 S 0.80285727859805 0.19714272140195 0.64907376615197 32.065 19 S 0.80285727859805 0.60571455719611 0.64907376615197 32.065 20 S 0.39428544280389 0.19714272140195 0.64907376615197 32.065 *21 Mn 0.66666666666667 0.33333333333333 0.74891726158284 54.938 22 Mn 0.33333333333333 0.66666666666667 0.24891726158284 54.938 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.868991391386199 0.000000000000000 0.000000000000000 b -4.434495695693100 7.680771850885943 0.000000000000000 c 0.000000000000000 0.000000000000000 6.751445800000000 Atomic positions (fractional): *1 Na 0.52993671852267 0.05987343704534 0.36232590470708 22.990 > 1 2 Na 0.47006328147733 0.52993671852267 0.86232590470708 22.990 > 2 *3 Na 0.13924982158338 0.86075017841662 0.54316532240261 22.990 > 3 4 Na 0.27849964316675 0.13924982158338 0.04316532240261 22.990 > 4 5 Na 0.86075017841662 0.72150035683325 0.04316532240261 22.990 > 5 6 Na 0.13924982158338 0.27849964316675 0.54316532240261 22.990 > 6 7 Na 0.72150035683325 0.86075017841662 0.54316532240261 22.990 > 7 8 Na 0.86075017841662 0.13924982158338 0.04316532240261 22.990 > 8 9 Na 0.52993671852267 0.47006328147733 0.36232590470708 22.990 > 9 10 Na 0.94012656295466 0.47006328147733 0.36232590470708 22.990 > 10 11 Na 0.47006328147733 0.94012656295466 0.86232590470708 22.990 > 11 12 Na 0.05987343704534 0.52993671852267 0.86232590470708 22.990 > 12 *13 S 0.19714272140195 0.39428544280389 0.14907376615197 32.065 > 13 14 S 0.60571455719611 0.80285727859805 0.14907376615197 32.065 > 14 *15 S 0.33333333333333 0.66666666666667 0.57488774863212 32.065 > 15 16 S 0.66666666666667 0.33333333333333 0.07488774863212 32.065 > 16 17 S 0.19714272140195 0.80285727859805 0.14907376615197 32.065 > 17 18 S 0.80285727859805 0.19714272140195 0.64907376615197 32.065 > 18 19 S 0.80285727859805 0.60571455719611 0.64907376615197 32.065 > 19 20 S 0.39428544280389 0.19714272140195 0.64907376615197 32.065 > 20 *21 Mn 0.66666666666667 0.33333333333333 0.74891726158284 54.938 > 21 22 Mn 0.33333333333333 0.66666666666667 0.24891726158284 54.938 > 22 -------------------------------- super cell -------------------------------- Lattice vectors: a 8.868991391386199 0.000000000000000 0.000000000000000 b -4.434495695693100 7.680771850885943 0.000000000000000 c 0.000000000000000 0.000000000000000 13.502891600000000 Atomic positions (fractional): *1 Na 0.52993671852267 0.05987343704534 0.18116295235354 22.990 > 1 2 Na 0.52993671852267 0.05987343704534 0.68116295235354 22.990 > 1 3 Na 0.47006328147733 0.52993671852267 0.43116295235354 22.990 > 2 4 Na 0.47006328147733 0.52993671852267 0.93116295235354 22.990 > 2 *5 Na 0.13924982158338 0.86075017841662 0.27158266120131 22.990 > 3 6 Na 0.13924982158338 0.86075017841662 0.77158266120131 22.990 > 3 7 Na 0.27849964316675 0.13924982158338 0.02158266120131 22.990 > 4 8 Na 0.27849964316675 0.13924982158338 0.52158266120131 22.990 > 4 9 Na 0.86075017841662 0.72150035683325 0.02158266120131 22.990 > 5 10 Na 0.86075017841662 0.72150035683325 0.52158266120131 22.990 > 5 11 Na 0.13924982158338 0.27849964316675 0.27158266120131 22.990 > 6 12 Na 0.13924982158338 0.27849964316675 0.77158266120131 22.990 > 6 13 Na 0.72150035683325 0.86075017841662 0.27158266120131 22.990 > 7 14 Na 0.72150035683325 0.86075017841662 0.77158266120131 22.990 > 7 15 Na 0.86075017841662 0.13924982158338 0.02158266120131 22.990 > 8 16 Na 0.86075017841662 0.13924982158338 0.52158266120131 22.990 > 8 17 Na 0.52993671852267 0.47006328147733 0.18116295235354 22.990 > 9 18 Na 0.52993671852267 0.47006328147733 0.68116295235354 22.990 > 9 19 Na 0.94012656295466 0.47006328147733 0.18116295235354 22.990 > 10 20 Na 0.94012656295466 0.47006328147733 0.68116295235354 22.990 > 10 21 Na 0.47006328147733 0.94012656295466 0.43116295235354 22.990 > 11 22 Na 0.47006328147733 0.94012656295466 0.93116295235354 22.990 > 11 23 Na 0.05987343704534 0.52993671852267 0.43116295235354 22.990 > 12 24 Na 0.05987343704534 0.52993671852267 0.93116295235354 22.990 > 12 *25 S 0.19714272140195 0.39428544280389 0.07453688307599 32.065 > 13 26 S 0.19714272140195 0.39428544280389 0.57453688307599 32.065 > 13 27 S 0.60571455719611 0.80285727859805 0.07453688307599 32.065 > 14 28 S 0.60571455719611 0.80285727859805 0.57453688307599 32.065 > 14 *29 S 0.33333333333333 0.66666666666667 0.28744387431606 32.065 > 15 30 S 0.33333333333333 0.66666666666667 0.78744387431606 32.065 > 15 31 S 0.66666666666667 0.33333333333333 0.03744387431606 32.065 > 16 32 S 0.66666666666667 0.33333333333333 0.53744387431606 32.065 > 16 33 S 0.19714272140195 0.80285727859805 0.07453688307599 32.065 > 17 34 S 0.19714272140195 0.80285727859805 0.57453688307599 32.065 > 17 35 S 0.80285727859805 0.19714272140195 0.32453688307599 32.065 > 18 36 S 0.80285727859805 0.19714272140195 0.82453688307599 32.065 > 18 37 S 0.80285727859805 0.60571455719611 0.32453688307599 32.065 > 19 38 S 0.80285727859805 0.60571455719611 0.82453688307599 32.065 > 19 39 S 0.39428544280389 0.19714272140195 0.32453688307599 32.065 > 20 40 S 0.39428544280389 0.19714272140195 0.82453688307599 32.065 > 20 *41 Mn 0.66666666666667 0.33333333333333 0.37445863079142 54.938 > 21 42 Mn 0.66666666666667 0.33333333333333 0.87445863079142 54.938 > 21 43 Mn 0.33333333333333 0.66666666666667 0.12445863079142 54.938 > 22 44 Mn 0.33333333333333 0.66666666666667 0.62445863079142 54.938 > 22 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 46.5378138 0.0000000 0.0000000 0.0000000 46.5378138 0.0000000 0.0000000 0.0000000 42.7987785 -------------------------- Born effective charges -------------------------- 1 Na 0.6302885 0.0000000 0.0000000 0.0000000 1.5762352 0.3860208 -0.0000000 0.1042240 1.2980544 2 Na 1.3397485 -0.4096069 -0.3343038 -0.4096069 0.8667752 0.1930104 -0.0902607 0.0521120 1.2980544 3 Na 1.2915149 0.1600153 -0.1897999 0.1600153 1.4762847 0.1095810 -0.2608369 0.1505943 1.1090248 4 Na 1.2915149 -0.1600153 -0.1897999 -0.1600153 1.4762847 -0.1095810 -0.2608369 -0.1505943 1.1090248 5 Na 1.5686696 0.0000000 0.0000000 0.0000000 1.1991300 0.2191621 -0.0000000 0.3011886 1.1090248 6 Na 1.5686696 0.0000000 0.0000000 0.0000000 1.1991300 -0.2191621 -0.0000000 -0.3011886 1.1090248 7 Na 1.2915149 -0.1600153 0.1897999 -0.1600153 1.4762847 0.1095810 0.2608369 0.1505943 1.1090248 8 Na 1.2915149 0.1600153 0.1897999 0.1600153 1.4762847 -0.1095810 0.2608369 -0.1505943 1.1090248 9 Na 1.3397485 -0.4096069 0.3343038 -0.4096069 0.8667752 -0.1930104 0.0902607 -0.0521120 1.2980544 10 Na 1.3397485 0.4096069 -0.3343038 0.4096069 0.8667752 -0.1930104 -0.0902607 -0.0521120 1.2980544 11 Na 0.6302885 0.0000000 -0.0000000 0.0000000 1.5762352 -0.3860208 -0.0000000 -0.1042240 1.2980544 12 Na 1.3397485 0.4096069 0.3343038 0.4096069 0.8667752 0.1930104 0.0902607 0.0521120 1.2980544 13 S -1.6907650 0.0000000 -0.0000000 0.0000000 -1.2770836 -0.8494804 -0.0000000 -0.2774209 -1.7644330 14 S -1.3805040 0.1791293 0.7356716 0.1791293 -1.5873447 0.4247402 0.2402536 0.1387105 -1.7644330 15 S -0.6056288 0.0000000 0.0000000 0.0000000 -0.6056288 -0.0000000 -0.0000000 0.0000000 -2.2526357 16 S -0.6056288 0.0000000 0.0000000 0.0000000 -0.6056288 -0.0000000 -0.0000000 0.0000000 -2.2526357 17 S -1.3805040 -0.1791293 -0.7356716 -0.1791293 -1.5873447 0.4247402 -0.2402536 0.1387105 -1.7644330 18 S -1.3805040 -0.1791293 0.7356716 -0.1791293 -1.5873447 -0.4247402 0.2402536 -0.1387105 -1.7644330 19 S -1.6907650 0.0000000 0.0000000 0.0000000 -1.2770836 0.8494804 -0.0000000 0.2774209 -1.7644330 20 S -1.3805040 0.1791293 -0.7356716 0.1791293 -1.5873447 -0.4247402 -0.2402536 -0.1387105 -1.7644330 21 Mn -2.4040833 0.0000000 0.0000000 0.0000000 -2.4040833 -0.0000000 -0.0000000 0.0000000 0.3246969 22 Mn -2.4040833 0.0000000 0.0000000 0.0000000 -2.4040833 -0.0000000 -0.0000000 0.0000000 0.3246969 ---------------------------------------------------------------------------- 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: 132/132 Permutation basis: 4422/4422 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 410 Number of blocks in projector: 272 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 178 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 156 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 76 Use standard eigh solver. Tree of FC basis block matrices: - (410, 391), data: False |-- (76, 71), data: True |-- (156, 150), data: True |-- (178, 170), data: True ----- Solver_atoms: 1 -- 44 / 44 Time (Solver_compr_matrix_reshape): 0.001 Solver_block: 100 / 240 - Time: 0.115 Solver_block: 200 / 240 - Time: 0.116 Solver_block: 240 / 240 - Time: 0.057 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.292 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 132/132 Permutation basis: 4422/4422 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 410 Number of blocks in projector: 272 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 178 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 156 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 76 Use standard eigh solver. Tree of FC basis block matrices: - (410, 391), data: False |-- (76, 71), data: True |-- (156, 150), data: True |-- (178, 170), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 20:39:40]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:39:41]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P6_3mc (186) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.868991391386199 0.000000000000000 0.000000000000000 b -4.434495695693100 7.680771850885943 0.000000000000000 c 0.000000000000000 0.000000000000000 6.751445800000000 Atomic positions (fractional): 1 Na 0.52993671852267 0.05987343704534 0.36232590470708 22.990 2 Na 0.47006328147733 0.52993671852267 0.86232590470708 22.990 3 Na 0.13924982158338 0.86075017841662 0.54316532240261 22.990 4 Na 0.27849964316675 0.13924982158338 0.04316532240261 22.990 5 Na 0.86075017841662 0.72150035683325 0.04316532240261 22.990 6 Na 0.13924982158338 0.27849964316675 0.54316532240261 22.990 7 Na 0.72150035683325 0.86075017841662 0.54316532240261 22.990 8 Na 0.86075017841662 0.13924982158338 0.04316532240261 22.990 9 Na 0.52993671852267 0.47006328147733 0.36232590470708 22.990 10 Na 0.94012656295466 0.47006328147733 0.36232590470708 22.990 11 Na 0.47006328147733 0.94012656295466 0.86232590470708 22.990 12 Na 0.05987343704534 0.52993671852267 0.86232590470708 22.990 13 S 0.19714272140195 0.39428544280389 0.14907376615197 32.065 14 S 0.60571455719611 0.80285727859805 0.14907376615197 32.065 15 S 0.33333333333333 0.66666666666667 0.57488774863212 32.065 16 S 0.66666666666667 0.33333333333333 0.07488774863212 32.065 17 S 0.19714272140195 0.80285727859805 0.14907376615197 32.065 18 S 0.80285727859805 0.19714272140195 0.64907376615197 32.065 19 S 0.80285727859805 0.60571455719611 0.64907376615197 32.065 20 S 0.39428544280389 0.19714272140195 0.64907376615197 32.065 21 Mn 0.66666666666667 0.33333333333333 0.74891726158284 54.938 22 Mn 0.33333333333333 0.66666666666667 0.24891726158284 54.938 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.868991391386199 0.000000000000000 0.000000000000000 b -4.434495695693100 7.680771850885943 0.000000000000000 c 0.000000000000000 0.000000000000000 13.502891600000000 Atomic positions (fractional): 1 Na 0.52993671852267 0.05987343704534 0.18116295235354 22.990 > 1 2 Na 0.52993671852267 0.05987343704534 0.68116295235354 22.990 > 1 3 Na 0.47006328147733 0.52993671852267 0.43116295235354 22.990 > 3 4 Na 0.47006328147733 0.52993671852267 0.93116295235354 22.990 > 3 5 Na 0.13924982158338 0.86075017841662 0.27158266120131 22.990 > 5 6 Na 0.13924982158338 0.86075017841662 0.77158266120131 22.990 > 5 7 Na 0.27849964316675 0.13924982158338 0.02158266120131 22.990 > 7 8 Na 0.27849964316675 0.13924982158338 0.52158266120131 22.990 > 7 9 Na 0.86075017841662 0.72150035683325 0.02158266120131 22.990 > 9 10 Na 0.86075017841662 0.72150035683325 0.52158266120131 22.990 > 9 11 Na 0.13924982158338 0.27849964316675 0.27158266120131 22.990 > 11 12 Na 0.13924982158338 0.27849964316675 0.77158266120131 22.990 > 11 13 Na 0.72150035683325 0.86075017841662 0.27158266120131 22.990 > 13 14 Na 0.72150035683325 0.86075017841662 0.77158266120131 22.990 > 13 15 Na 0.86075017841662 0.13924982158338 0.02158266120131 22.990 > 15 16 Na 0.86075017841662 0.13924982158338 0.52158266120131 22.990 > 15 17 Na 0.52993671852267 0.47006328147733 0.18116295235354 22.990 > 17 18 Na 0.52993671852267 0.47006328147733 0.68116295235354 22.990 > 17 19 Na 0.94012656295466 0.47006328147733 0.18116295235354 22.990 > 19 20 Na 0.94012656295466 0.47006328147733 0.68116295235354 22.990 > 19 21 Na 0.47006328147733 0.94012656295466 0.43116295235354 22.990 > 21 22 Na 0.47006328147733 0.94012656295466 0.93116295235354 22.990 > 21 23 Na 0.05987343704534 0.52993671852267 0.43116295235354 22.990 > 23 24 Na 0.05987343704534 0.52993671852267 0.93116295235354 22.990 > 23 25 S 0.19714272140195 0.39428544280389 0.07453688307599 32.065 > 25 26 S 0.19714272140195 0.39428544280389 0.57453688307599 32.065 > 25 27 S 0.60571455719611 0.80285727859805 0.07453688307599 32.065 > 27 28 S 0.60571455719611 0.80285727859805 0.57453688307599 32.065 > 27 29 S 0.33333333333333 0.66666666666667 0.28744387431606 32.065 > 29 30 S 0.33333333333333 0.66666666666667 0.78744387431606 32.065 > 29 31 S 0.66666666666667 0.33333333333333 0.03744387431606 32.065 > 31 32 S 0.66666666666667 0.33333333333333 0.53744387431606 32.065 > 31 33 S 0.19714272140195 0.80285727859805 0.07453688307599 32.065 > 33 34 S 0.19714272140195 0.80285727859805 0.57453688307599 32.065 > 33 35 S 0.80285727859805 0.19714272140195 0.32453688307599 32.065 > 35 36 S 0.80285727859805 0.19714272140195 0.82453688307599 32.065 > 35 37 S 0.80285727859805 0.60571455719611 0.32453688307599 32.065 > 37 38 S 0.80285727859805 0.60571455719611 0.82453688307599 32.065 > 37 39 S 0.39428544280389 0.19714272140195 0.32453688307599 32.065 > 39 40 S 0.39428544280389 0.19714272140195 0.82453688307599 32.065 > 39 41 Mn 0.66666666666667 0.33333333333333 0.37445863079142 54.938 > 41 42 Mn 0.66666666666667 0.33333333333333 0.87445863079142 54.938 > 41 43 Mn 0.33333333333333 0.66666666666667 0.12445863079142 54.938 > 43 44 Mn 0.33333333333333 0.66666666666667 0.62445863079142 54.938 > 43 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 46.5378138 0.0000000 0.0000000 0.0000000 46.5378138 0.0000000 0.0000000 0.0000000 42.7987785 -------------------------- Born effective charges -------------------------- 1 Na 0.6302885 0.0000000 0.0000000 0.0000000 1.5762352 0.3860208 -0.0000000 0.1042240 1.2980544 2 Na 1.3397485 -0.4096069 -0.3343038 -0.4096069 0.8667752 0.1930104 -0.0902607 0.0521120 1.2980544 3 Na 1.2915149 0.1600153 -0.1897999 0.1600153 1.4762847 0.1095810 -0.2608369 0.1505943 1.1090248 4 Na 1.2915149 -0.1600153 -0.1897999 -0.1600153 1.4762847 -0.1095810 -0.2608369 -0.1505943 1.1090248 5 Na 1.5686696 0.0000000 0.0000000 0.0000000 1.1991300 0.2191621 -0.0000000 0.3011886 1.1090248 6 Na 1.5686696 0.0000000 0.0000000 0.0000000 1.1991300 -0.2191621 -0.0000000 -0.3011886 1.1090248 7 Na 1.2915149 -0.1600153 0.1897999 -0.1600153 1.4762847 0.1095810 0.2608369 0.1505943 1.1090248 8 Na 1.2915149 0.1600153 0.1897999 0.1600153 1.4762847 -0.1095810 0.2608369 -0.1505943 1.1090248 9 Na 1.3397485 -0.4096069 0.3343038 -0.4096069 0.8667752 -0.1930104 0.0902607 -0.0521120 1.2980544 10 Na 1.3397485 0.4096069 -0.3343038 0.4096069 0.8667752 -0.1930104 -0.0902607 -0.0521120 1.2980544 11 Na 0.6302885 0.0000000 -0.0000000 0.0000000 1.5762352 -0.3860208 -0.0000000 -0.1042240 1.2980544 12 Na 1.3397485 0.4096069 0.3343038 0.4096069 0.8667752 0.1930104 0.0902607 0.0521120 1.2980544 13 S -1.6907650 0.0000000 -0.0000000 0.0000000 -1.2770836 -0.8494804 -0.0000000 -0.2774209 -1.7644330 14 S -1.3805040 0.1791293 0.7356716 0.1791293 -1.5873447 0.4247402 0.2402536 0.1387105 -1.7644330 15 S -0.6056288 0.0000000 0.0000000 0.0000000 -0.6056288 -0.0000000 -0.0000000 0.0000000 -2.2526357 16 S -0.6056288 0.0000000 0.0000000 0.0000000 -0.6056288 -0.0000000 -0.0000000 0.0000000 -2.2526357 17 S -1.3805040 -0.1791293 -0.7356716 -0.1791293 -1.5873447 0.4247402 -0.2402536 0.1387105 -1.7644330 18 S -1.3805040 -0.1791293 0.7356716 -0.1791293 -1.5873447 -0.4247402 0.2402536 -0.1387105 -1.7644330 19 S -1.6907650 0.0000000 0.0000000 0.0000000 -1.2770836 0.8494804 -0.0000000 0.2774209 -1.7644330 20 S -1.3805040 0.1791293 -0.7356716 0.1791293 -1.5873447 -0.4247402 -0.2402536 -0.1387105 -1.7644330 21 Mn -2.4040833 0.0000000 0.0000000 0.0000000 -2.4040833 -0.0000000 -0.0000000 0.0000000 0.3246969 22 Mn -2.4040833 0.0000000 0.0000000 0.0000000 -2.4040833 -0.0000000 -0.0000000 0.0000000 0.3246969 ---------------------------------------------------------------------------- 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): [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 29, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000008 (zzz) -0.00000008 (zzz) -0.00000008 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yz) -0.00000000 (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 2026-01-07 20:39:45]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:39:45]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P6_3mc (186) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.868991391386199 0.000000000000000 0.000000000000000 b -4.434495695693100 7.680771850885943 0.000000000000000 c 0.000000000000000 0.000000000000000 6.751445800000000 Atomic positions (fractional): 1 Na 0.52993671852267 0.05987343704534 0.36232590470708 22.990 2 Na 0.47006328147733 0.52993671852267 0.86232590470708 22.990 3 Na 0.13924982158338 0.86075017841662 0.54316532240261 22.990 4 Na 0.27849964316675 0.13924982158338 0.04316532240261 22.990 5 Na 0.86075017841662 0.72150035683325 0.04316532240261 22.990 6 Na 0.13924982158338 0.27849964316675 0.54316532240261 22.990 7 Na 0.72150035683325 0.86075017841662 0.54316532240261 22.990 8 Na 0.86075017841662 0.13924982158338 0.04316532240261 22.990 9 Na 0.52993671852267 0.47006328147733 0.36232590470708 22.990 10 Na 0.94012656295466 0.47006328147733 0.36232590470708 22.990 11 Na 0.47006328147733 0.94012656295466 0.86232590470708 22.990 12 Na 0.05987343704534 0.52993671852267 0.86232590470708 22.990 13 S 0.19714272140195 0.39428544280389 0.14907376615197 32.065 14 S 0.60571455719611 0.80285727859805 0.14907376615197 32.065 15 S 0.33333333333333 0.66666666666667 0.57488774863212 32.065 16 S 0.66666666666667 0.33333333333333 0.07488774863212 32.065 17 S 0.19714272140195 0.80285727859805 0.14907376615197 32.065 18 S 0.80285727859805 0.19714272140195 0.64907376615197 32.065 19 S 0.80285727859805 0.60571455719611 0.64907376615197 32.065 20 S 0.39428544280389 0.19714272140195 0.64907376615197 32.065 21 Mn 0.66666666666667 0.33333333333333 0.74891726158284 54.938 22 Mn 0.33333333333333 0.66666666666667 0.24891726158284 54.938 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.868991391386199 0.000000000000000 0.000000000000000 b -4.434495695693100 7.680771850885943 0.000000000000000 c 0.000000000000000 0.000000000000000 13.502891600000000 Atomic positions (fractional): 1 Na 0.52993671852267 0.05987343704534 0.18116295235354 22.990 > 1 2 Na 0.52993671852267 0.05987343704534 0.68116295235354 22.990 > 1 3 Na 0.47006328147733 0.52993671852267 0.43116295235354 22.990 > 3 4 Na 0.47006328147733 0.52993671852267 0.93116295235354 22.990 > 3 5 Na 0.13924982158338 0.86075017841662 0.27158266120131 22.990 > 5 6 Na 0.13924982158338 0.86075017841662 0.77158266120131 22.990 > 5 7 Na 0.27849964316675 0.13924982158338 0.02158266120131 22.990 > 7 8 Na 0.27849964316675 0.13924982158338 0.52158266120131 22.990 > 7 9 Na 0.86075017841662 0.72150035683325 0.02158266120131 22.990 > 9 10 Na 0.86075017841662 0.72150035683325 0.52158266120131 22.990 > 9 11 Na 0.13924982158338 0.27849964316675 0.27158266120131 22.990 > 11 12 Na 0.13924982158338 0.27849964316675 0.77158266120131 22.990 > 11 13 Na 0.72150035683325 0.86075017841662 0.27158266120131 22.990 > 13 14 Na 0.72150035683325 0.86075017841662 0.77158266120131 22.990 > 13 15 Na 0.86075017841662 0.13924982158338 0.02158266120131 22.990 > 15 16 Na 0.86075017841662 0.13924982158338 0.52158266120131 22.990 > 15 17 Na 0.52993671852267 0.47006328147733 0.18116295235354 22.990 > 17 18 Na 0.52993671852267 0.47006328147733 0.68116295235354 22.990 > 17 19 Na 0.94012656295466 0.47006328147733 0.18116295235354 22.990 > 19 20 Na 0.94012656295466 0.47006328147733 0.68116295235354 22.990 > 19 21 Na 0.47006328147733 0.94012656295466 0.43116295235354 22.990 > 21 22 Na 0.47006328147733 0.94012656295466 0.93116295235354 22.990 > 21 23 Na 0.05987343704534 0.52993671852267 0.43116295235354 22.990 > 23 24 Na 0.05987343704534 0.52993671852267 0.93116295235354 22.990 > 23 25 S 0.19714272140195 0.39428544280389 0.07453688307599 32.065 > 25 26 S 0.19714272140195 0.39428544280389 0.57453688307599 32.065 > 25 27 S 0.60571455719611 0.80285727859805 0.07453688307599 32.065 > 27 28 S 0.60571455719611 0.80285727859805 0.57453688307599 32.065 > 27 29 S 0.33333333333333 0.66666666666667 0.28744387431606 32.065 > 29 30 S 0.33333333333333 0.66666666666667 0.78744387431606 32.065 > 29 31 S 0.66666666666667 0.33333333333333 0.03744387431606 32.065 > 31 32 S 0.66666666666667 0.33333333333333 0.53744387431606 32.065 > 31 33 S 0.19714272140195 0.80285727859805 0.07453688307599 32.065 > 33 34 S 0.19714272140195 0.80285727859805 0.57453688307599 32.065 > 33 35 S 0.80285727859805 0.19714272140195 0.32453688307599 32.065 > 35 36 S 0.80285727859805 0.19714272140195 0.82453688307599 32.065 > 35 37 S 0.80285727859805 0.60571455719611 0.32453688307599 32.065 > 37 38 S 0.80285727859805 0.60571455719611 0.82453688307599 32.065 > 37 39 S 0.39428544280389 0.19714272140195 0.32453688307599 32.065 > 39 40 S 0.39428544280389 0.19714272140195 0.82453688307599 32.065 > 39 41 Mn 0.66666666666667 0.33333333333333 0.37445863079142 54.938 > 41 42 Mn 0.66666666666667 0.33333333333333 0.87445863079142 54.938 > 41 43 Mn 0.33333333333333 0.66666666666667 0.12445863079142 54.938 > 43 44 Mn 0.33333333333333 0.66666666666667 0.62445863079142 54.938 > 43 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 46.5378138 0.0000000 0.0000000 0.0000000 46.5378138 0.0000000 0.0000000 0.0000000 42.7987785 -------------------------- Born effective charges -------------------------- 1 Na 0.6302885 0.0000000 0.0000000 0.0000000 1.5762352 0.3860208 -0.0000000 0.1042240 1.2980544 2 Na 1.3397485 -0.4096069 -0.3343038 -0.4096069 0.8667752 0.1930104 -0.0902607 0.0521120 1.2980544 3 Na 1.2915149 0.1600153 -0.1897999 0.1600153 1.4762847 0.1095810 -0.2608369 0.1505943 1.1090248 4 Na 1.2915149 -0.1600153 -0.1897999 -0.1600153 1.4762847 -0.1095810 -0.2608369 -0.1505943 1.1090248 5 Na 1.5686696 0.0000000 0.0000000 0.0000000 1.1991300 0.2191621 -0.0000000 0.3011886 1.1090248 6 Na 1.5686696 0.0000000 0.0000000 0.0000000 1.1991300 -0.2191621 -0.0000000 -0.3011886 1.1090248 7 Na 1.2915149 -0.1600153 0.1897999 -0.1600153 1.4762847 0.1095810 0.2608369 0.1505943 1.1090248 8 Na 1.2915149 0.1600153 0.1897999 0.1600153 1.4762847 -0.1095810 0.2608369 -0.1505943 1.1090248 9 Na 1.3397485 -0.4096069 0.3343038 -0.4096069 0.8667752 -0.1930104 0.0902607 -0.0521120 1.2980544 10 Na 1.3397485 0.4096069 -0.3343038 0.4096069 0.8667752 -0.1930104 -0.0902607 -0.0521120 1.2980544 11 Na 0.6302885 0.0000000 -0.0000000 0.0000000 1.5762352 -0.3860208 -0.0000000 -0.1042240 1.2980544 12 Na 1.3397485 0.4096069 0.3343038 0.4096069 0.8667752 0.1930104 0.0902607 0.0521120 1.2980544 13 S -1.6907650 0.0000000 -0.0000000 0.0000000 -1.2770836 -0.8494804 -0.0000000 -0.2774209 -1.7644330 14 S -1.3805040 0.1791293 0.7356716 0.1791293 -1.5873447 0.4247402 0.2402536 0.1387105 -1.7644330 15 S -0.6056288 0.0000000 0.0000000 0.0000000 -0.6056288 -0.0000000 -0.0000000 0.0000000 -2.2526357 16 S -0.6056288 0.0000000 0.0000000 0.0000000 -0.6056288 -0.0000000 -0.0000000 0.0000000 -2.2526357 17 S -1.3805040 -0.1791293 -0.7356716 -0.1791293 -1.5873447 0.4247402 -0.2402536 0.1387105 -1.7644330 18 S -1.3805040 -0.1791293 0.7356716 -0.1791293 -1.5873447 -0.4247402 0.2402536 -0.1387105 -1.7644330 19 S -1.6907650 0.0000000 0.0000000 0.0000000 -1.2770836 0.8494804 -0.0000000 0.2774209 -1.7644330 20 S -1.3805040 0.1791293 -0.7356716 0.1791293 -1.5873447 -0.4247402 -0.2402536 -0.1387105 -1.7644330 21 Mn -2.4040833 0.0000000 0.0000000 0.0000000 -2.4040833 -0.0000000 -0.0000000 0.0000000 0.3246969 22 Mn -2.4040833 0.0000000 0.0000000 0.0000000 -2.4040833 -0.0000000 -0.0000000 0.0000000 0.3246969 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000008 (zzz) -0.00000008 (zzz) -0.00000008 (zzz) 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 ... [ 7 7 7 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.54, Number of G-points: 283, Lambda: 0.38 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/32) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.165 ( 0.000 0.000 -0.000) 0.000 2.172 ( 0.000 -0.000 -0.000) 0.000 2.172 ( 0.000 -0.000 -0.000) 0.000 2.595 ( 0.000 -0.000 -0.000) 0.000 2.595 ( 0.000 0.000 0.000) 0.000 2.665 ( -0.000 0.000 -0.000) 0.000 2.665 ( 0.000 0.000 -0.000) 0.000 2.932 ( 0.000 -0.000 -0.000) 0.000 2.932 ( -0.000 0.000 -0.000) 0.000 2.992 ( 0.000 -0.000 0.000) 0.000 2.992 ( 0.000 0.000 -0.000) 0.000 3.113 ( 0.000 0.000 0.000) 0.000 3.352 ( 0.000 0.000 0.000) 0.000 3.478 ( 0.000 -0.000 0.000) 0.000 3.478 ( 0.000 0.000 0.000) 0.000 3.604 ( 0.000 -0.000 -0.000) 0.000 3.687 ( 0.000 0.000 0.000) 0.000 3.917 ( 0.000 0.000 -0.000) 0.000 3.919 ( -0.000 0.000 0.000) 0.000 3.919 ( 0.000 0.000 0.000) 0.000 4.060 ( 0.000 -0.000 0.000) 0.000 4.100 ( -0.000 0.000 0.000) 0.000 4.155 ( 0.000 -0.000 0.000) 0.000 4.155 ( 0.000 0.000 -0.000) 0.000 4.155 ( 0.000 0.000 -0.000) 0.000 4.278 ( 0.000 -0.000 0.000) 0.000 4.278 ( 0.000 0.000 0.000) 0.000 4.517 ( 0.000 -0.000 0.000) 0.000 4.530 ( 0.000 0.000 -0.000) 0.000 4.530 ( -0.000 -0.000 0.000) 0.000 4.605 ( 0.000 0.000 0.000) 0.000 4.605 ( -0.000 -0.000 0.000) 0.000 4.895 ( 0.000 0.000 -0.000) 0.000 4.934 ( 0.000 -0.000 0.000) 0.000 4.934 ( -0.000 -0.000 -0.000) 0.000 5.139 ( 0.000 -0.000 0.000) 0.000 5.139 ( 0.000 -0.000 -0.000) 0.000 5.403 ( 0.000 0.000 0.000) 0.000 5.403 ( 0.000 0.000 0.000) 0.000 5.413 ( -0.000 -0.000 0.000) 0.000 5.696 ( 0.000 0.000 0.000) 0.000 5.696 ( 0.000 0.000 -0.000) 0.000 5.824 ( -0.000 0.000 -0.000) 0.000 5.824 ( 0.000 -0.000 -0.000) 0.000 5.910 ( 0.000 0.000 0.000) 0.000 6.025 ( 0.000 0.000 -0.000) 0.000 6.087 ( 0.000 -0.000 -0.000) 0.000 6.120 ( 0.000 0.000 0.000) 0.000 6.120 ( -0.000 0.000 -0.000) 0.000 6.241 ( 0.000 0.000 0.000) 0.000 6.354 ( 0.000 0.000 -0.000) 0.000 6.354 ( -0.000 0.000 -0.000) 0.000 6.540 ( 0.000 0.000 0.000) 0.000 6.672 ( -0.000 0.000 0.000) 0.000 6.672 ( 0.000 -0.000 0.000) 0.000 8.813 ( 0.000 0.000 -0.000) 0.000 9.179 ( -0.000 0.000 -0.000) 0.000 10.637 ( 0.000 0.000 0.000) 0.000 10.637 ( 0.000 0.000 -0.000) 0.000 10.724 ( 0.000 -0.000 -0.000) 0.000 10.724 ( 0.000 0.000 0.000) 0.000 10.824 ( 0.000 -0.000 -0.000) 0.000 10.921 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 1 (2/32) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.402 ( 18.608 10.743 0.000) 21.487 0.455 ( 20.791 12.003 0.000) 24.007 0.890 ( 40.195 23.207 0.000) 46.413 2.089 ( -6.461 -3.730 0.000) 7.461 2.114 ( -5.735 -3.311 0.000) 6.622 2.239 ( 5.567 3.214 0.000) 6.428 2.518 ( -4.487 -2.590 0.000) 5.181 2.683 ( 3.246 1.874 0.000) 3.748 2.685 ( 1.092 0.631 0.000) 1.261 2.734 ( 4.141 2.391 0.000) 4.782 2.886 ( -2.915 -1.683 0.000) 3.366 2.890 ( -2.261 -1.306 0.000) 2.611 3.017 ( 1.485 0.858 0.000) 1.715 3.049 ( 3.605 2.082 0.000) 4.163 3.241 ( 9.486 5.477 0.000) 10.953 3.326 ( -3.112 -1.797 0.000) 3.594 3.381 ( -3.715 -2.145 0.000) 4.289 3.422 ( -4.028 -2.326 0.000) 4.651 3.710 ( 5.127 2.960 0.000) 5.921 3.756 ( 5.119 2.955 0.000) 5.911 3.834 ( -2.134 -1.232 0.000) 2.465 3.896 ( -5.330 -3.077 0.000) 6.154 3.968 ( -7.012 -4.049 0.000) 8.097 3.993 ( 0.509 0.294 0.000) 0.588 4.076 ( -0.148 -0.085 0.000) 0.171 4.080 ( 1.736 1.002 0.000) 2.005 4.194 ( 3.019 1.743 0.000) 3.486 4.206 ( 0.375 0.217 0.000) 0.433 4.281 ( -1.007 -0.581 0.000) 1.163 4.318 ( 3.359 1.940 0.000) 3.879 4.507 ( 0.461 0.266 0.000) 0.532 4.555 ( 1.641 0.948 0.000) 1.895 4.625 ( 1.049 0.606 0.000) 1.211 4.638 ( 3.242 1.872 0.000) 3.743 4.739 ( 4.498 2.597 0.000) 5.194 4.898 ( -3.178 -1.835 0.000) 3.670 4.901 ( -1.084 -0.626 0.000) 1.251 4.908 ( 0.953 0.550 0.000) 1.101 5.121 ( -1.608 -0.928 0.000) 1.856 5.185 ( 0.522 0.301 0.000) 0.603 5.345 ( -6.421 -3.707 0.000) 7.414 5.353 ( -3.801 -2.195 0.000) 4.389 5.414 ( 0.443 0.256 0.000) 0.512 5.614 ( -3.374 -1.948 0.000) 3.896 5.663 ( -3.592 -2.074 0.000) 4.147 5.831 ( -1.546 -0.892 0.000) 1.785 5.835 ( -1.336 -0.771 0.000) 1.542 5.910 ( 0.741 0.428 0.000) 0.855 6.027 ( 0.177 0.102 0.000) 0.205 6.073 ( -0.788 -0.455 0.000) 0.909 6.106 ( -2.412 -1.393 0.000) 2.785 6.127 ( -0.663 -0.383 0.000) 0.766 6.286 ( -0.449 -0.259 0.000) 0.518 6.313 ( 2.732 1.577 0.000) 3.154 6.360 ( 0.835 0.482 0.000) 0.964 6.586 ( 2.693 1.555 0.000) 3.109 6.679 ( 0.637 0.368 0.000) 0.735 6.733 ( -2.466 -1.424 0.000) 2.847 8.837 ( 2.166 1.251 0.000) 2.501 9.169 ( -0.944 -0.545 0.000) 1.090 10.635 ( -0.187 -0.108 0.000) 0.215 10.640 ( 0.283 0.163 0.000) 0.326 10.721 ( -0.241 -0.139 0.000) 0.279 10.726 ( 0.199 0.115 0.000) 0.230 10.829 ( 0.445 0.257 0.000) 0.514 10.917 ( -0.357 -0.206 0.000) 0.412 ======================= Grid point 2 (3/32) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.789 ( 17.244 9.956 0.000) 19.912 0.885 ( 19.152 11.058 0.000) 22.115 1.671 ( 26.356 15.216 0.000) 30.433 1.925 ( -11.381 -6.571 0.000) 13.142 1.928 ( -2.533 -1.462 0.000) 2.925 2.389 ( 7.464 4.309 0.000) 8.618 2.454 ( -1.574 -0.909 0.000) 1.818 2.705 ( 0.547 0.316 0.000) 0.632 2.753 ( -1.511 -0.873 0.000) 1.745 2.808 ( 6.053 3.494 0.000) 6.989 2.827 ( -2.186 -1.262 0.000) 2.524 2.888 ( 2.237 1.291 0.000) 2.583 3.055 ( 2.118 1.223 0.000) 2.446 3.124 ( 2.720 1.570 0.000) 3.141 3.252 ( -1.916 -1.106 0.000) 2.212 3.290 ( -4.686 -2.706 0.000) 5.411 3.346 ( -0.668 -0.385 0.000) 0.771 3.486 ( 8.754 5.054 0.000) 10.108 3.647 ( -12.559 -7.251 0.000) 14.501 3.756 ( -1.285 -0.742 0.000) 1.483 3.775 ( -1.115 -0.644 0.000) 1.288 3.910 ( 4.440 2.564 0.000) 5.127 3.956 ( 1.531 0.884 0.000) 1.768 3.981 ( 1.676 0.968 0.000) 1.936 4.109 ( 3.044 1.757 0.000) 3.515 4.116 ( 0.803 0.464 0.000) 0.927 4.207 ( -0.560 -0.323 0.000) 0.646 4.238 ( -1.471 -0.849 0.000) 1.698 4.266 ( 3.398 1.962 0.000) 3.923 4.402 ( 3.702 2.137 0.000) 4.274 4.534 ( 1.397 0.806 0.000) 1.613 4.583 ( 0.517 0.299 0.000) 0.597 4.634 ( -0.526 -0.304 0.000) 0.608 4.698 ( -0.118 -0.068 0.000) 0.136 4.776 ( 0.089 0.051 0.000) 0.103 4.835 ( -1.267 -0.732 0.000) 1.463 4.839 ( -2.986 -1.724 0.000) 3.447 4.994 ( -0.872 -0.504 0.000) 1.007 5.080 ( -1.955 -1.129 0.000) 2.258 5.102 ( -0.607 -0.351 0.000) 0.701 5.157 ( -8.080 -4.665 0.000) 9.330 5.353 ( 2.054 1.186 0.000) 2.372 5.443 ( 2.736 1.580 0.000) 3.160 5.574 ( -2.825 -1.631 0.000) 3.262 5.607 ( -2.473 -1.428 0.000) 2.855 5.767 ( -2.524 -1.457 0.000) 2.914 5.773 ( -3.571 -2.062 0.000) 4.123 5.931 ( 0.823 0.475 0.000) 0.951 6.014 ( -5.322 -3.072 0.000) 6.145 6.029 ( -0.372 -0.215 0.000) 0.430 6.055 ( -0.958 -0.553 0.000) 1.106 6.086 ( -2.130 -1.230 0.000) 2.460 6.257 ( -0.471 -0.272 0.000) 0.543 6.391 ( 1.782 1.029 0.000) 2.057 6.440 ( 6.055 3.496 0.000) 6.992 6.626 ( 1.111 0.642 0.000) 1.283 6.666 ( -3.494 -2.017 0.000) 4.034 6.694 ( 0.497 0.287 0.000) 0.574 8.897 ( 3.191 1.842 0.000) 3.684 9.139 ( -1.756 -1.014 0.000) 2.028 10.630 ( -0.213 -0.123 0.000) 0.246 10.648 ( 0.430 0.248 0.000) 0.496 10.715 ( -0.356 -0.205 0.000) 0.411 10.731 ( 0.228 0.132 0.000) 0.264 10.842 ( 0.691 0.399 0.000) 0.798 10.906 ( -0.599 -0.346 0.000) 0.692 ======================= Grid point 3 (4/32) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( 11.818 6.823 0.000) 13.646 1.267 ( 15.625 9.021 0.000) 18.043 1.616 ( -9.505 -5.488 0.000) 10.976 1.651 ( -13.212 -7.628 0.000) 15.256 2.380 ( 22.830 13.181 0.000) 26.361 2.437 ( -0.249 -0.144 0.000) 0.288 2.509 ( 3.064 1.769 0.000) 3.538 2.697 ( -4.458 -2.574 0.000) 5.148 2.702 ( -0.478 -0.276 0.000) 0.552 2.805 ( -0.139 -0.080 0.000) 0.161 2.873 ( -3.920 -2.263 0.000) 4.526 2.921 ( 2.254 1.301 0.000) 2.603 3.109 ( 2.954 1.705 0.000) 3.411 3.178 ( 4.015 2.318 0.000) 4.636 3.191 ( -4.109 -2.372 0.000) 4.744 3.273 ( 2.549 1.472 0.000) 2.943 3.330 ( -1.297 -0.749 0.000) 1.498 3.438 ( -5.722 -3.304 0.000) 6.607 3.612 ( 2.596 1.499 0.000) 2.998 3.665 ( -5.556 -3.208 0.000) 6.416 3.758 ( -0.506 -0.292 0.000) 0.585 3.954 ( 1.477 0.853 0.000) 1.705 3.989 ( 1.290 0.745 0.000) 1.489 4.044 ( 1.473 0.851 0.000) 1.701 4.114 ( -0.178 -0.103 0.000) 0.206 4.186 ( -0.813 -0.470 0.000) 0.939 4.231 ( 6.866 3.964 0.000) 7.928 4.237 ( 0.224 0.130 0.000) 0.259 4.347 ( 4.026 2.325 0.000) 4.649 4.430 ( -2.616 -1.510 0.000) 3.021 4.531 ( -1.489 -0.860 0.000) 1.719 4.557 ( -0.621 -0.358 0.000) 0.717 4.627 ( 0.586 0.338 0.000) 0.676 4.659 ( -3.407 -1.967 0.000) 3.934 4.764 ( -1.117 -0.645 0.000) 1.289 4.777 ( -2.915 -1.683 0.000) 3.366 4.805 ( 0.083 0.048 0.000) 0.096 4.875 ( -4.066 -2.347 0.000) 4.695 5.006 ( -2.530 -1.461 0.000) 2.921 5.180 ( 7.233 4.176 0.000) 8.353 5.223 ( 5.528 3.191 0.000) 6.383 5.388 ( 2.007 1.159 0.000) 2.318 5.431 ( -8.778 -5.068 0.000) 10.136 5.477 ( -3.047 -1.759 0.000) 3.519 5.560 ( 0.470 0.271 0.000) 0.543 5.712 ( -1.749 -1.010 0.000) 2.020 5.782 ( 2.795 1.614 0.000) 3.227 5.905 ( -4.287 -2.475 0.000) 4.950 5.946 ( 0.659 0.380 0.000) 0.761 5.994 ( -1.848 -1.067 0.000) 2.134 6.050 ( 0.291 0.168 0.000) 0.336 6.062 ( -0.524 -0.303 0.000) 0.605 6.255 ( 0.044 0.025 0.000) 0.051 6.425 ( 1.090 0.629 0.000) 1.259 6.541 ( 2.817 1.626 0.000) 3.253 6.601 ( -2.005 -1.157 0.000) 2.315 6.641 ( 0.356 0.206 0.000) 0.412 6.693 ( -0.381 -0.220 0.000) 0.439 8.960 ( 2.102 1.213 0.000) 2.427 9.100 ( -1.492 -0.861 0.000) 1.722 10.627 ( -0.090 -0.052 0.000) 0.104 10.656 ( 0.244 0.141 0.000) 0.281 10.708 ( -0.204 -0.118 0.000) 0.236 10.735 ( 0.096 0.055 0.000) 0.111 10.856 ( 0.489 0.282 0.000) 0.565 10.894 ( -0.453 -0.262 0.000) 0.523 ======================= Grid point 8 (5/32) ======================= q-point: ( 0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.687 ( 10.116 17.522 0.000) 20.232 0.803 ( 12.463 21.587 0.000) 24.927 1.472 ( 19.746 34.201 0.000) 39.492 1.942 ( -6.258 -10.840 0.000) 12.517 2.059 ( -2.728 -4.725 0.000) 5.457 2.257 ( 0.285 0.494 0.000) 0.570 2.539 ( 1.405 2.434 0.000) 2.810 2.662 ( 0.130 0.226 0.000) 0.261 2.764 ( 1.457 2.524 0.000) 2.914 2.775 ( 1.977 3.424 0.000) 3.954 2.829 ( -0.787 -1.364 0.000) 1.575 2.895 ( 0.387 0.671 0.000) 0.775 3.047 ( 0.795 1.377 0.000) 1.591 3.095 ( 2.077 3.598 0.000) 4.155 3.255 ( -3.703 -6.413 0.000) 7.405 3.322 ( -0.437 -0.757 0.000) 0.874 3.381 ( -1.234 -2.137 0.000) 2.468 3.415 ( 5.777 10.006 0.000) 11.554 3.694 ( -6.909 -11.967 0.000) 13.818 3.752 ( 0.147 0.254 0.000) 0.293 3.823 ( -0.888 -1.538 0.000) 1.776 3.888 ( 4.109 7.118 0.000) 8.219 3.917 ( 0.349 0.604 0.000) 0.697 4.020 ( -0.486 -0.841 0.000) 0.971 4.053 ( 0.361 0.625 0.000) 0.722 4.103 ( 0.744 1.289 0.000) 1.488 4.209 ( 1.053 1.824 0.000) 2.106 4.218 ( -0.388 -0.672 0.000) 0.777 4.322 ( 1.835 3.179 0.000) 3.670 4.362 ( 1.715 2.970 0.000) 3.430 4.529 ( 1.265 2.191 0.000) 2.530 4.570 ( 0.189 0.328 0.000) 0.378 4.630 ( -0.350 -0.607 0.000) 0.701 4.702 ( 2.003 3.469 0.000) 4.006 4.768 ( -0.149 -0.258 0.000) 0.298 4.847 ( -1.738 -3.010 0.000) 3.476 4.855 ( -1.519 -2.631 0.000) 3.038 4.975 ( 2.613 4.527 0.000) 5.227 5.087 ( -1.615 -2.797 0.000) 3.229 5.160 ( -6.431 -11.139 0.000) 12.862 5.164 ( -1.665 -2.883 0.000) 3.329 5.383 ( 1.852 3.208 0.000) 3.704 5.407 ( -0.373 -0.646 0.000) 0.746 5.579 ( -0.788 -1.364 0.000) 1.575 5.643 ( -0.201 -0.347 0.000) 0.401 5.735 ( -3.219 -5.575 0.000) 6.438 5.851 ( -1.104 -1.912 0.000) 2.207 5.889 ( -0.786 -1.361 0.000) 1.572 6.030 ( 0.047 0.081 0.000) 0.094 6.051 ( -1.149 -1.990 0.000) 2.297 6.059 ( -3.296 -5.709 0.000) 6.592 6.080 ( -1.136 -1.968 0.000) 2.273 6.312 ( 1.755 3.040 0.000) 3.511 6.355 ( 1.072 1.857 0.000) 2.144 6.408 ( 2.901 5.025 0.000) 5.802 6.613 ( 0.015 0.025 0.000) 0.029 6.678 ( -0.083 -0.143 0.000) 0.165 6.698 ( -1.033 -1.788 0.000) 2.065 8.880 ( 1.803 3.123 0.000) 3.606 9.149 ( -0.926 -1.604 0.000) 1.852 10.631 ( -0.176 -0.305 0.000) 0.352 10.646 ( 0.311 0.538 0.000) 0.621 10.716 ( -0.218 -0.378 0.000) 0.436 10.730 ( 0.133 0.231 0.000) 0.267 10.838 ( 0.385 0.667 0.000) 0.770 10.910 ( -0.326 -0.564 0.000) 0.652 ======================= Grid point 9 (6/32) ======================= q-point: ( 0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.007 ( 11.390 12.287 0.000) 16.754 1.186 ( 11.149 17.914 0.000) 21.100 1.704 ( -10.749 -6.216 0.000) 12.416 1.905 ( -13.509 3.477 0.000) 13.949 2.070 ( 22.622 10.890 0.000) 25.106 2.303 ( 8.758 -7.367 0.000) 11.444 2.540 ( -2.523 2.015 0.000) 3.229 2.666 ( 0.624 -1.628 0.000) 1.744 2.767 ( -1.312 0.850 0.000) 1.564 2.834 ( 0.743 3.490 0.000) 3.568 2.902 ( 2.673 6.294 0.000) 6.838 2.944 ( 1.825 5.462 0.000) 5.758 3.043 ( -0.022 -5.918 0.000) 5.918 3.117 ( -1.667 -2.291 0.000) 2.833 3.191 ( 3.659 0.420 0.000) 3.683 3.317 ( -1.189 1.849 0.000) 2.198 3.346 ( -1.566 0.430 0.000) 1.624 3.474 ( -6.188 -8.804 0.000) 10.761 3.587 ( 4.802 4.842 0.000) 6.820 3.697 ( -3.499 -4.719 0.000) 5.875 3.798 ( -2.150 1.599 0.000) 2.679 3.940 ( 0.676 0.206 0.000) 0.707 3.962 ( 0.862 -0.699 0.000) 1.110 4.067 ( 2.289 7.854 0.000) 8.180 4.108 ( 2.114 1.049 0.000) 2.360 4.138 ( 3.323 2.307 0.000) 4.045 4.198 ( 0.854 -2.617 0.000) 2.753 4.255 ( 1.339 4.404 0.000) 4.603 4.345 ( -2.471 3.199 0.000) 4.042 4.428 ( 3.493 0.537 0.000) 3.534 4.536 ( -3.225 -3.132 0.000) 4.496 4.582 ( 1.131 1.841 0.000) 2.161 4.594 ( -0.102 -3.577 0.000) 3.578 4.700 ( -2.375 -0.555 0.000) 2.439 4.736 ( -0.852 -4.414 0.000) 4.496 4.801 ( -3.418 -3.553 0.000) 4.930 4.833 ( -0.605 0.685 0.000) 0.914 4.931 ( -5.829 -2.684 0.000) 6.417 5.020 ( 1.159 -4.441 0.000) 4.590 5.073 ( 2.571 0.198 0.000) 2.579 5.216 ( 4.112 7.688 0.000) 8.718 5.370 ( -1.378 -2.389 0.000) 2.758 5.464 ( 1.771 2.078 0.000) 2.730 5.543 ( -2.133 -0.348 0.000) 2.161 5.588 ( -6.891 -2.581 0.000) 7.359 5.680 ( 2.544 -2.775 0.000) 3.764 5.791 ( -1.957 -0.366 0.000) 1.991 5.884 ( 2.362 -3.937 0.000) 4.591 5.936 ( -4.004 -5.469 0.000) 6.778 6.008 ( -1.517 -1.352 0.000) 2.032 6.039 ( 0.645 -0.236 0.000) 0.687 6.059 ( -0.321 -0.799 0.000) 0.861 6.335 ( -3.461 5.867 0.000) 6.812 6.412 ( 2.966 1.721 0.000) 3.429 6.510 ( 3.669 3.814 0.000) 5.292 6.580 ( -0.721 -4.220 0.000) 4.281 6.662 ( -1.236 0.232 0.000) 1.258 6.687 ( 0.146 -1.052 0.000) 1.062 8.944 ( 2.253 2.994 0.000) 3.747 9.111 ( -1.495 -1.990 0.000) 2.489 10.625 ( -0.088 -0.349 0.000) 0.360 10.658 ( 0.262 0.803 0.000) 0.845 10.708 ( -0.245 -0.508 0.000) 0.565 10.734 ( 0.126 0.122 0.000) 0.175 10.852 ( 0.515 0.696 0.000) 0.865 10.897 ( -0.470 -0.628 0.000) 0.784 ======================= Grid point 10 (7/32) ======================= q-point: ( 0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( -1.056 1.829 0.000) 2.112 1.422 ( 3.114 -5.393 0.000) 6.228 1.526 ( -7.896 13.676 0.000) 15.792 1.760 ( -7.508 13.004 0.000) 15.015 2.295 ( 6.459 -11.187 0.000) 12.918 2.395 ( 7.595 -13.155 0.000) 15.191 2.527 ( -0.955 1.653 0.000) 1.909 2.687 ( -3.843 6.656 0.000) 7.685 2.781 ( 0.002 -0.003 0.000) 0.004 2.791 ( 2.582 -4.472 0.000) 5.163 2.911 ( -3.880 6.720 0.000) 7.760 2.970 ( -2.529 4.381 0.000) 5.059 3.079 ( 1.028 -1.781 0.000) 2.056 3.109 ( 2.247 -3.892 0.000) 4.494 3.239 ( -0.922 1.596 0.000) 1.843 3.317 ( -0.830 1.437 0.000) 1.660 3.338 ( -1.099 1.904 0.000) 2.198 3.370 ( 1.815 -3.144 0.000) 3.631 3.600 ( 1.575 -2.727 0.000) 3.149 3.666 ( -2.331 4.037 0.000) 4.661 3.785 ( -1.266 2.192 0.000) 2.531 3.940 ( 1.115 -1.932 0.000) 2.231 3.980 ( 0.700 -1.213 0.000) 1.400 4.113 ( -0.018 0.031 0.000) 0.036 4.123 ( -3.117 5.399 0.000) 6.234 4.201 ( 0.344 -0.596 0.000) 0.688 4.205 ( -1.018 1.763 0.000) 2.036 4.286 ( 0.809 -1.401 0.000) 1.618 4.382 ( -0.047 0.081 0.000) 0.094 4.397 ( -0.471 0.816 0.000) 0.942 4.522 ( -0.235 0.406 0.000) 0.469 4.580 ( 2.187 -3.789 0.000) 4.375 4.602 ( -1.689 2.925 0.000) 3.378 4.617 ( 1.558 -2.699 0.000) 3.116 4.719 ( 1.301 -2.253 0.000) 2.602 4.729 ( 2.006 -3.474 0.000) 4.012 4.837 ( -0.806 1.395 0.000) 1.611 4.872 ( -1.924 3.333 0.000) 3.849 5.000 ( -0.278 0.482 0.000) 0.556 5.183 ( 3.363 -5.825 0.000) 6.727 5.247 ( -0.552 0.956 0.000) 1.103 5.415 ( -0.107 0.186 0.000) 0.215 5.423 ( -2.163 3.747 0.000) 4.326 5.462 ( -1.400 2.425 0.000) 2.801 5.558 ( 0.422 -0.731 0.000) 0.844 5.686 ( 1.144 -1.981 0.000) 2.288 5.807 ( -0.310 0.537 0.000) 0.620 5.847 ( 2.368 -4.101 0.000) 4.735 5.889 ( 1.960 -3.394 0.000) 3.919 5.987 ( -0.262 0.453 0.000) 0.523 6.047 ( 0.267 -0.463 0.000) 0.534 6.049 ( 0.257 -0.445 0.000) 0.514 6.332 ( -3.321 5.752 0.000) 6.642 6.453 ( -1.317 2.281 0.000) 2.633 6.541 ( 2.142 -3.711 0.000) 4.285 6.568 ( -0.512 0.887 0.000) 1.024 6.656 ( -0.255 0.441 0.000) 0.509 6.675 ( 0.890 -1.542 0.000) 1.780 8.985 ( -0.811 1.404 0.000) 1.621 9.081 ( 0.645 -1.117 0.000) 1.290 10.623 ( 0.155 -0.269 0.000) 0.310 10.665 ( -0.418 0.723 0.000) 0.835 10.703 ( 0.254 -0.441 0.000) 0.509 10.735 ( -0.001 0.002 0.000) 0.003 10.862 ( -0.206 0.357 0.000) 0.412 10.888 ( 0.191 -0.330 0.000) 0.382 ======================= Grid point 17 (8/32) ======================= q-point: ( 0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.213 ( 5.204 9.014 0.000) 10.408 1.359 ( -1.080 -1.871 0.000) 2.161 1.735 ( 6.046 10.472 0.000) 12.092 1.984 ( 1.766 3.060 0.000) 3.533 2.117 ( -5.531 -9.580 0.000) 11.062 2.181 ( 0.356 0.617 0.000) 0.712 2.568 ( 1.566 2.713 0.000) 3.133 2.662 ( -0.299 -0.518 0.000) 0.598 2.777 ( 0.015 0.026 0.000) 0.030 2.870 ( -3.323 -5.755 0.000) 6.645 2.893 ( 0.200 0.347 0.000) 0.400 2.991 ( 1.748 3.028 0.000) 3.496 3.048 ( -0.101 -0.175 0.000) 0.202 3.150 ( 3.492 6.048 0.000) 6.984 3.235 ( 2.228 3.860 0.000) 4.457 3.330 ( -0.014 -0.025 0.000) 0.029 3.343 ( -3.094 -5.358 0.000) 6.187 3.364 ( 0.576 0.998 0.000) 1.152 3.570 ( -2.015 -3.489 0.000) 4.029 3.724 ( 2.907 5.035 0.000) 5.814 3.805 ( -0.658 -1.140 0.000) 1.316 3.918 ( -0.838 -1.451 0.000) 1.676 3.963 ( 0.477 0.826 0.000) 0.954 4.115 ( 0.417 0.722 0.000) 0.834 4.146 ( -1.080 -1.871 0.000) 2.160 4.196 ( 1.565 2.710 0.000) 3.130 4.256 ( 5.109 8.848 0.000) 10.217 4.287 ( -3.793 -6.569 0.000) 7.585 4.343 ( 2.424 4.198 0.000) 4.847 4.449 ( -3.104 -5.376 0.000) 6.208 4.494 ( 3.386 5.864 0.000) 6.771 4.517 ( -1.540 -2.667 0.000) 3.079 4.620 ( -0.939 -1.626 0.000) 1.878 4.649 ( -3.875 -6.712 0.000) 7.751 4.657 ( -0.171 -0.297 0.000) 0.343 4.702 ( -1.528 -2.646 0.000) 3.055 4.850 ( 0.190 0.329 0.000) 0.380 4.971 ( 2.145 3.715 0.000) 4.290 4.982 ( 0.424 0.735 0.000) 0.849 5.076 ( -0.396 -0.686 0.000) 0.792 5.281 ( -2.390 -4.140 0.000) 4.781 5.370 ( 4.410 7.638 0.000) 8.820 5.497 ( -2.891 -5.007 0.000) 5.782 5.523 ( 1.451 2.514 0.000) 2.903 5.545 ( -0.352 -0.609 0.000) 0.703 5.638 ( -1.768 -3.063 0.000) 3.537 5.777 ( 0.504 0.872 0.000) 1.007 5.846 ( -1.944 -3.366 0.000) 3.887 5.846 ( -0.542 -0.939 0.000) 1.084 5.995 ( -0.152 -0.263 0.000) 0.304 6.039 ( 0.126 0.218 0.000) 0.252 6.047 ( -0.319 -0.552 0.000) 0.638 6.409 ( 1.316 2.279 0.000) 2.631 6.461 ( 1.168 2.023 0.000) 2.336 6.508 ( -1.394 -2.415 0.000) 2.789 6.575 ( 1.529 2.649 0.000) 3.058 6.650 ( -0.506 -0.877 0.000) 1.012 6.662 ( -0.898 -1.556 0.000) 1.796 9.002 ( 1.725 2.988 0.000) 3.450 9.067 ( -1.473 -2.551 0.000) 2.945 10.620 ( -0.099 -0.172 0.000) 0.198 10.675 ( 0.519 0.899 0.000) 1.038 10.696 ( -0.429 -0.743 0.000) 0.858 10.735 ( 0.027 0.046 0.000) 0.054 10.866 ( 0.439 0.760 0.000) 0.877 10.884 ( -0.421 -0.729 0.000) 0.842 ======================= Grid point 55 (9/32) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.430 ( 0.000 0.000 19.789) 19.789 0.430 ( -0.000 0.000 19.789) 19.789 0.921 ( -0.000 0.000 42.154) 42.154 2.194 ( 0.000 0.000 -0.729) 0.729 2.194 ( 0.000 0.000 -0.729) 0.729 2.208 ( 0.000 -0.000 4.094) 4.094 2.419 ( 0.000 0.000 -11.722) 11.722 2.419 ( 0.000 0.000 -11.722) 11.722 2.589 ( 0.000 0.000 -4.093) 4.093 2.589 ( -0.000 -0.000 -4.093) 4.093 2.960 ( 0.000 0.000 -4.047) 4.047 2.960 ( 0.000 0.000 -4.047) 4.047 3.039 ( 0.000 0.000 5.928) 5.928 3.039 ( 0.000 -0.000 5.928) 5.928 3.154 ( -0.000 -0.000 3.755) 3.755 3.362 ( 0.000 -0.000 -2.725) 2.725 3.375 ( 0.000 0.000 -6.103) 6.103 3.375 ( 0.000 -0.000 -6.103) 6.103 3.608 ( 0.000 0.000 -0.047) 0.047 3.689 ( 0.000 0.000 0.041) 0.041 3.896 ( 0.000 -0.000 -1.715) 1.715 3.998 ( 0.000 0.000 4.549) 4.549 3.998 ( 0.000 0.000 4.549) 4.549 4.011 ( -0.000 0.000 -4.407) 4.407 4.021 ( -0.000 -0.000 -10.042) 10.042 4.021 ( 0.000 0.000 -10.042) 10.042 4.081 ( 0.000 -0.000 -1.810) 1.810 4.123 ( 0.000 0.000 -8.119) 8.119 4.350 ( 0.000 0.000 7.089) 7.089 4.350 ( 0.000 0.000 7.089) 7.089 4.399 ( -0.000 0.000 -6.113) 6.113 4.560 ( 0.000 0.000 -2.922) 2.922 4.560 ( 0.000 0.000 -2.922) 2.922 4.646 ( 0.000 0.000 7.038) 7.038 4.646 ( -0.000 0.000 7.038) 7.038 4.991 ( 0.000 0.000 4.676) 4.676 4.991 ( -0.000 0.000 4.676) 4.676 5.137 ( -0.000 0.000 0.057) 0.057 5.137 ( 0.000 0.000 0.057) 0.057 5.154 ( 0.000 0.000 15.046) 15.046 5.365 ( 0.000 0.000 -5.835) 5.835 5.481 ( 0.000 0.000 6.664) 6.664 5.481 ( 0.000 0.000 6.664) 6.664 5.695 ( 0.000 0.000 -10.913) 10.913 5.696 ( 0.000 -0.000 0.125) 0.125 5.696 ( 0.000 0.000 0.125) 0.125 5.828 ( -0.000 0.000 0.279) 0.279 5.828 ( 0.000 0.000 0.279) 0.279 6.082 ( -0.000 -0.000 -3.192) 3.192 6.082 ( -0.000 0.000 -3.192) 3.192 6.223 ( -0.000 0.000 4.364) 4.364 6.256 ( 0.000 0.000 1.419) 1.419 6.283 ( -0.000 -0.000 10.405) 10.405 6.368 ( 0.000 0.000 0.999) 0.999 6.368 ( 0.000 0.000 0.999) 0.999 6.525 ( -0.000 0.000 -1.369) 1.369 6.643 ( 0.000 0.000 -2.639) 2.639 6.643 ( -0.000 -0.000 -2.639) 2.639 8.823 ( 0.000 0.000 0.797) 0.797 9.151 ( -0.000 0.000 -2.490) 2.490 10.651 ( -0.000 -0.000 1.223) 1.223 10.651 ( -0.000 0.000 1.223) 1.223 10.728 ( 0.000 -0.000 0.371) 0.371 10.728 ( -0.000 0.000 0.371) 0.371 10.856 ( 0.000 -0.000 -0.243) 0.243 10.916 ( -0.000 0.000 -0.477) 0.477 ======================= Grid point 56 (10/32) ======================= q-point: ( 0.14 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.623 ( 14.943 8.627 13.418) 21.858 0.729 ( 15.700 9.064 17.235) 25.014 1.172 ( 23.840 13.764 26.229) 38.023 2.124 ( -5.894 -3.403 2.427) 7.226 2.133 ( -5.866 -3.387 -0.196) 6.776 2.241 ( 2.810 1.622 -1.287) 3.491 2.411 ( -0.227 -0.131 -8.879) 8.883 2.489 ( 5.224 3.016 -11.377) 12.877 2.594 ( 0.503 0.290 -4.919) 4.953 2.658 ( 6.154 3.553 -3.186) 7.788 2.896 ( -5.479 -3.163 -0.463) 6.344 2.958 ( -1.188 -0.686 0.764) 1.570 2.989 ( -0.697 -0.402 -3.217) 3.317 3.054 ( 2.028 1.171 -0.632) 2.426 3.270 ( -6.648 -3.838 -5.601) 9.503 3.300 ( -2.161 -1.247 -2.170) 3.307 3.333 ( 8.030 4.636 1.994) 9.485 3.354 ( -0.302 -0.174 0.278) 0.446 3.681 ( 3.696 2.134 -1.915) 4.678 3.759 ( 5.504 3.178 0.162) 6.357 3.866 ( -1.536 -0.887 1.246) 2.168 3.872 ( -9.186 -5.303 -5.395) 11.900 3.965 ( -1.108 -0.639 -5.051) 5.210 3.988 ( -0.994 -0.574 -1.240) 1.689 4.071 ( 2.560 1.478 -0.412) 2.985 4.079 ( 2.244 1.296 0.198) 2.599 4.155 ( 6.107 3.526 -2.013) 7.333 4.162 ( 1.642 0.948 -3.170) 3.694 4.336 ( -0.254 -0.147 4.396) 4.406 4.354 ( 0.993 0.573 5.519) 5.637 4.365 ( 0.245 0.141 -4.953) 4.961 4.583 ( 0.905 0.522 -3.131) 3.301 4.589 ( 1.362 0.786 -3.322) 3.676 4.660 ( 2.067 1.193 6.723) 7.135 4.756 ( 5.648 3.261 2.644) 7.037 4.961 ( -2.768 -1.598 4.895) 5.846 4.967 ( -1.885 -1.089 4.921) 5.381 5.083 ( -1.730 -0.999 7.657) 7.913 5.116 ( -1.967 -1.136 -0.146) 2.276 5.200 ( 1.121 0.647 5.581) 5.729 5.363 ( -0.967 -0.558 -2.811) 3.025 5.411 ( -7.490 -4.325 5.387) 10.189 5.440 ( -3.387 -1.956 3.089) 4.984 5.615 ( -3.516 -2.030 -5.881) 7.146 5.626 ( -2.609 -1.506 1.214) 3.248 5.695 ( -0.506 -0.292 -3.284) 3.335 5.833 ( -1.411 -0.815 0.092) 1.632 5.893 ( 3.276 1.892 -0.898) 3.888 6.062 ( -2.726 -1.574 -3.646) 4.817 6.070 ( -1.137 -0.657 -3.009) 3.283 6.163 ( -2.692 -1.554 7.870) 8.462 6.243 ( -2.901 -1.675 8.045) 8.714 6.299 ( 0.419 0.242 1.125) 1.224 6.332 ( 2.042 1.179 1.523) 2.807 6.390 ( 1.485 0.857 2.834) 3.312 6.572 ( 2.530 1.461 -1.330) 3.210 6.654 ( 1.042 0.601 -2.263) 2.563 6.666 ( -0.125 -0.072 -4.344) 4.347 8.845 ( 1.960 1.131 0.738) 2.380 9.143 ( -0.771 -0.445 -2.311) 2.476 10.649 ( -0.167 -0.096 1.244) 1.259 10.653 ( 0.246 0.142 1.184) 1.217 10.726 ( -0.201 -0.116 0.406) 0.468 10.731 ( 0.187 0.108 0.357) 0.417 10.844 ( -0.436 -0.252 0.524) 0.727 10.912 ( -0.357 -0.206 -0.476) 0.630 ======================= Grid point 57 (11/32) ======================= q-point: ( 0.29 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( 17.106 9.876 8.148) 21.368 1.025 ( 13.153 7.594 17.658) 23.291 1.729 ( 18.283 10.556 4.986) 21.692 1.948 ( -10.921 -6.305 1.284) 12.675 1.983 ( -1.374 -0.793 4.444) 4.719 2.340 ( 5.852 3.379 -4.237) 7.976 2.423 ( 1.291 0.745 -4.022) 4.289 2.604 ( 5.211 3.008 -7.919) 9.945 2.608 ( 0.513 0.296 -6.246) 6.274 2.784 ( -4.507 -2.602 -2.871) 5.944 2.823 ( 7.903 4.563 -0.631) 9.148 2.919 ( -1.759 -1.016 1.063) 2.292 2.979 ( -0.695 -0.401 -9.887) 9.920 3.086 ( -0.743 -0.429 -4.020) 4.110 3.172 ( -0.869 -0.502 -8.006) 8.069 3.199 ( -3.914 -2.260 -2.628) 5.228 3.358 ( 0.730 0.422 4.192) 4.276 3.564 ( 9.909 5.721 4.770) 12.396 3.620 ( -9.667 -5.581 -1.918) 11.325 3.748 ( -1.140 -0.658 -0.796) 1.539 3.809 ( -1.367 -0.789 1.665) 2.294 3.911 ( 4.031 2.327 0.584) 4.691 3.978 ( 3.609 2.084 -1.385) 4.391 3.990 ( 0.897 0.518 0.197) 1.054 4.112 ( 0.547 0.316 -2.406) 2.488 4.129 ( 3.360 1.940 0.878) 3.978 4.169 ( -0.234 -0.135 -0.340) 0.435 4.265 ( 3.622 2.091 0.573) 4.222 4.328 ( -0.143 -0.083 7.147) 7.149 4.401 ( 1.421 0.821 -7.788) 7.959 4.418 ( 4.513 2.605 2.765) 5.899 4.581 ( -1.522 -0.879 -1.213) 2.136 4.608 ( 1.338 0.773 -3.196) 3.550 4.738 ( 3.253 1.878 4.033) 5.511 4.816 ( 0.485 0.280 4.165) 4.203 4.880 ( -4.489 -2.592 3.525) 6.268 4.916 ( -3.418 -1.973 5.138) 6.479 5.055 ( -4.468 -2.580 2.999) 5.967 5.059 ( -2.989 -1.726 -0.826) 3.549 5.154 ( -0.215 -0.124 5.163) 5.169 5.217 ( -7.670 -4.428 4.406) 9.892 5.357 ( 1.772 1.023 0.903) 2.236 5.421 ( 0.625 0.361 -4.929) 4.981 5.570 ( -1.484 -0.857 -2.871) 3.344 5.585 ( -3.516 -2.030 0.920) 4.163 5.674 ( -1.167 -0.674 -2.208) 2.587 5.777 ( -2.078 -1.200 0.780) 2.523 5.937 ( 0.785 0.453 -1.095) 1.422 5.972 ( -4.801 -2.772 -3.382) 6.494 6.027 ( -2.809 -1.622 -2.545) 4.123 6.133 ( -0.308 -0.178 7.861) 7.869 6.191 ( -1.547 -0.893 7.295) 7.511 6.277 ( -0.477 -0.276 1.646) 1.736 6.417 ( 0.950 0.548 2.365) 2.607 6.448 ( 5.674 3.276 0.734) 6.593 6.606 ( 0.923 0.533 -1.814) 2.104 6.630 ( -2.526 -1.458 -2.995) 4.180 6.680 ( 0.985 0.569 -1.208) 1.660 8.901 ( 2.976 1.718 0.378) 3.457 9.119 ( -1.479 -0.854 -1.843) 2.513 10.644 ( -0.190 -0.110 1.291) 1.310 10.660 ( 0.384 0.222 1.094) 1.181 10.720 ( -0.340 -0.196 0.473) 0.615 10.735 ( 0.214 0.123 0.326) 0.409 10.845 ( 0.373 0.216 0.172) 0.464 10.901 ( -0.586 -0.338 -0.460) 0.818 ======================= Grid point 58 (12/32) ======================= q-point: ( 0.43 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( 10.574 6.105 14.224) 18.746 1.331 ( 14.973 8.645 5.740) 18.218 1.665 ( -9.126 -5.269 4.255) 11.365 1.685 ( -12.887 -7.440 2.695) 15.123 2.234 ( 8.058 4.652 -11.190) 14.553 2.458 ( 1.463 0.845 1.166) 2.053 2.492 ( 9.009 5.201 -1.323) 10.487 2.601 ( -0.966 -0.558 -8.535) 8.607 2.699 ( 0.878 0.507 -2.195) 2.418 2.719 ( -1.311 -0.757 -5.406) 5.614 2.830 ( -2.866 -1.655 -2.356) 4.063 2.960 ( -0.714 -0.412 -16.006) 16.027 2.973 ( 2.571 1.485 5.230) 6.014 3.092 ( 2.019 1.166 -13.203) 13.407 3.150 ( -0.871 -0.503 1.429) 1.748 3.195 ( 2.104 1.215 -1.607) 2.913 3.385 ( 1.614 0.932 4.102) 4.506 3.441 ( -5.611 -3.239 2.465) 6.932 3.686 ( -4.150 -2.396 2.631) 5.467 3.713 ( 3.700 2.136 1.106) 4.413 3.775 ( -1.433 -0.827 5.098) 5.360 3.972 ( 2.252 1.300 2.105) 3.346 4.015 ( 1.290 0.745 0.182) 1.501 4.047 ( 1.203 0.695 0.142) 1.397 4.097 ( -1.294 -0.747 -3.492) 3.798 4.167 ( 0.127 0.073 0.637) 0.654 4.256 ( 6.349 3.666 1.386) 7.462 4.337 ( 0.478 0.276 5.113) 5.143 4.345 ( 4.754 2.745 0.134) 5.491 4.403 ( -0.672 -0.388 -5.792) 5.844 4.442 ( -3.354 -1.937 1.769) 4.258 4.587 ( 2.652 1.531 1.691) 3.498 4.623 ( -0.035 -0.020 -1.610) 1.610 4.685 ( -7.122 -4.112 2.738) 8.667 4.797 ( -2.408 -1.390 3.033) 4.114 4.811 ( -1.450 -0.837 3.195) 3.607 4.856 ( 0.237 0.137 4.860) 4.868 4.955 ( -2.787 -1.609 4.867) 5.835 5.006 ( -1.596 -0.921 -0.210) 1.855 5.190 ( 4.498 2.597 0.978) 5.285 5.222 ( 3.331 1.923 -0.718) 3.913 5.389 ( 0.815 0.471 -0.320) 0.994 5.424 ( -0.866 -0.500 -4.218) 4.334 5.440 ( -7.925 -4.575 0.705) 9.178 5.548 ( -0.248 -0.143 -0.894) 0.939 5.653 ( -0.666 -0.385 -2.751) 2.856 5.792 ( 2.740 1.582 0.560) 3.213 5.875 ( -4.113 -2.375 -2.174) 5.223 5.933 ( -0.640 -0.369 -1.167) 1.381 5.980 ( -1.044 -0.603 -1.424) 1.866 6.136 ( 0.272 0.157 7.639) 7.645 6.173 ( -0.282 -0.163 7.381) 7.388 6.275 ( 0.024 0.014 1.677) 1.677 6.431 ( 0.315 0.182 0.738) 0.823 6.540 ( 2.351 1.357 -0.378) 2.740 6.582 ( -1.452 -0.838 -1.733) 2.411 6.622 ( 0.646 0.373 -1.391) 1.578 6.687 ( -0.231 -0.133 -0.616) 0.671 8.958 ( 1.941 1.120 -0.033) 2.241 9.085 ( -1.295 -0.747 -1.319) 1.994 10.641 ( -0.079 -0.046 1.328) 1.331 10.668 ( 0.217 0.125 1.012) 1.042 10.714 ( -0.192 -0.111 0.514) 0.560 10.739 ( 0.090 0.052 0.303) 0.320 10.854 ( 0.387 0.223 -0.124) 0.464 10.889 ( -0.426 -0.246 -0.409) 0.640 ======================= Grid point 63 (13/32) ======================= q-point: ( 0.14 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( 10.955 18.975 9.000) 23.686 0.943 ( 7.445 12.896 18.058) 23.405 1.584 ( 14.940 25.878 10.154) 31.559 1.987 ( -5.850 -10.133 3.779) 12.295 2.087 ( -2.526 -4.375 1.707) 5.333 2.210 ( -0.203 -0.352 -4.764) 4.782 2.497 ( 2.454 4.250 -4.447) 6.623 2.517 ( 1.319 2.284 -10.929) 11.243 2.648 ( 2.993 5.183 -4.802) 7.673 2.748 ( 3.229 5.594 -0.900) 6.521 2.840 ( -1.678 -2.907 -2.828) 4.389 2.882 ( -1.646 -2.852 -1.131) 3.482 3.015 ( -1.041 -1.804 -4.485) 4.945 3.089 ( 2.404 4.164 -3.319) 5.842 3.189 ( -2.327 -4.030 -6.944) 8.360 3.209 ( -3.264 -5.653 -4.598) 7.984 3.359 ( 0.180 0.313 2.375) 2.402 3.492 ( 5.512 9.547 4.885) 12.058 3.679 ( -6.713 -11.626 -2.155) 13.597 3.718 ( 0.555 0.962 -1.558) 1.913 3.853 ( 2.049 3.548 0.891) 4.193 3.904 ( 2.439 4.224 1.993) 5.269 3.929 ( 0.407 0.705 -1.533) 1.735 4.022 ( 0.994 1.722 -2.998) 3.598 4.071 ( -0.575 -0.996 1.184) 1.651 4.105 ( 1.256 2.175 -1.124) 2.751 4.201 ( 0.764 1.324 0.134) 1.534 4.247 ( 2.943 5.098 -0.103) 5.887 4.321 ( 0.425 0.736 5.876) 5.938 4.357 ( -0.245 -0.425 -3.649) 3.682 4.428 ( 2.998 5.193 -0.926) 6.068 4.589 ( -0.778 -1.348 -1.316) 2.038 4.603 ( 0.888 1.537 -3.153) 3.619 4.708 ( 2.185 3.784 3.417) 5.547 4.810 ( 0.678 1.175 4.067) 4.287 4.914 ( -2.195 -3.802 4.409) 6.222 4.921 ( -1.917 -3.320 5.156) 6.425 5.071 ( -2.101 -3.640 -0.625) 4.249 5.076 ( 0.091 0.157 4.966) 4.970 5.199 ( -0.869 -1.505 4.919) 5.217 5.210 ( -6.150 -10.652 3.720) 12.850 5.394 ( 0.089 0.154 -3.379) 3.384 5.417 ( 0.373 0.647 3.381) 3.463 5.566 ( -2.900 -5.023 -8.152) 10.005 5.604 ( -0.483 -0.837 0.931) 1.342 5.654 ( -0.249 -0.431 0.857) 0.991 5.849 ( -0.829 -1.437 -0.152) 1.666 5.883 ( -0.590 -1.022 -0.866) 1.463 6.015 ( -2.894 -5.012 -3.479) 6.753 6.018 ( -1.507 -2.611 -2.871) 4.163 6.136 ( -0.442 -0.766 8.042) 8.091 6.197 ( -1.520 -2.632 7.097) 7.720 6.328 ( 1.405 2.433 1.348) 3.117 6.376 ( 1.633 2.828 1.844) 3.750 6.429 ( 2.064 3.575 2.011) 4.592 6.587 ( -0.579 -1.002 -2.550) 2.801 6.656 ( 0.102 0.176 -1.981) 1.992 6.669 ( 0.171 0.297 -2.129) 2.157 8.884 ( 1.680 2.910 0.487) 3.395 9.126 ( -0.774 -1.340 -1.985) 2.517 10.645 ( -0.153 -0.266 1.280) 1.316 10.659 ( 0.273 0.473 1.115) 1.242 10.722 ( -0.206 -0.357 0.460) 0.618 10.734 ( 0.126 0.217 0.336) 0.420 10.843 ( 0.142 0.246 0.287) 0.404 10.905 ( -0.322 -0.558 -0.468) 0.796 ======================= Grid point 64 (14/32) ======================= q-point: ( 0.29 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( 9.426 9.917 14.299) 19.791 1.261 ( 10.717 17.178 6.829) 21.367 1.761 ( -10.123 -4.989 4.806) 12.266 1.892 ( -9.343 1.693 -1.713) 9.648 2.064 ( 12.115 4.806 -0.977) 13.070 2.266 ( 8.945 -6.805 -2.792) 11.581 2.516 ( -0.787 3.290 -2.774) 4.375 2.586 ( 3.488 -0.260 -6.135) 7.062 2.734 ( -2.839 6.796 -2.810) 7.883 2.773 ( -2.086 4.000 -6.180) 7.652 2.851 ( 1.836 -3.188 -4.290) 5.652 2.923 ( 5.894 3.244 -0.324) 6.735 2.970 ( 0.397 -0.595 -6.733) 6.771 3.093 ( -4.035 0.905 -2.243) 4.705 3.136 ( -0.626 -1.761 -11.759) 11.906 3.188 ( 2.446 0.851 -0.684) 2.679 3.369 ( 0.666 -0.183 3.655) 3.719 3.480 ( -5.323 -6.705 1.704) 8.728 3.611 ( 2.794 -3.367 -1.352) 4.579 3.739 ( 1.333 3.752 5.743) 6.988 3.858 ( -3.304 3.319 3.264) 5.708 3.954 ( 0.673 1.505 0.529) 1.732 3.998 ( 1.278 0.375 1.039) 1.689 4.058 ( 1.448 4.466 -1.125) 4.828 4.087 ( 2.267 0.035 -2.309) 3.236 4.176 ( 2.487 3.731 2.443) 5.106 4.213 ( 0.702 2.363 0.419) 2.500 4.281 ( 1.041 -0.172 1.878) 2.154 4.327 ( 0.619 -2.869 -2.199) 3.667 4.406 ( 2.994 4.891 1.209) 5.861 4.504 ( -2.764 2.226 0.329) 3.564 4.560 ( 2.328 -0.037 -0.330) 2.352 4.620 ( -0.086 -0.435 -1.947) 1.997 4.744 ( -3.257 -1.756 4.350) 5.711 4.782 ( -1.621 -4.325 4.533) 6.472 4.827 ( -3.726 -5.471 2.044) 6.928 4.858 ( 0.248 -0.397 3.818) 3.847 4.993 ( -3.048 -1.717 2.671) 4.401 5.030 ( -2.661 -1.700 1.168) 3.367 5.110 ( 2.720 -3.011 3.294) 5.226 5.227 ( 1.996 5.097 1.126) 5.589 5.373 ( -1.330 -2.941 -0.220) 3.236 5.444 ( -1.420 1.793 -5.203) 5.683 5.488 ( -0.231 -2.948 -2.904) 4.144 5.573 ( -2.930 -0.886 1.185) 3.282 5.647 ( -0.049 -1.623 -1.704) 2.354 5.791 ( -2.029 0.929 0.594) 2.309 5.878 ( 1.574 -4.625 -1.341) 5.066 5.914 ( -2.707 -4.642 -1.486) 5.575 5.987 ( -0.707 -0.782 -1.831) 2.112 6.134 ( 0.220 0.221 7.905) 7.911 6.160 ( -0.602 -1.534 6.675) 6.876 6.351 ( -3.108 5.534 1.451) 6.511 6.423 ( 2.170 0.602 1.133) 2.521 6.513 ( 2.924 3.180 0.045) 4.320 6.550 ( 0.078 -3.916 -2.477) 4.634 6.647 ( -1.047 0.779 -1.314) 1.852 6.679 ( 0.379 -0.605 -0.668) 0.978 8.944 ( 2.089 2.778 0.080) 3.476 9.095 ( -1.288 -1.718 -1.459) 2.596 10.640 ( -0.077 -0.306 1.343) 1.380 10.669 ( 0.235 0.710 0.990) 1.240 10.714 ( -0.232 -0.472 0.517) 0.738 10.738 ( 0.117 0.116 0.313) 0.353 10.852 ( 0.388 0.545 -0.050) 0.671 10.892 ( -0.448 -0.606 -0.431) 0.868 ======================= Grid point 65 (15/32) ======================= q-point: ( 0.43 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.358 ( -0.510 0.884 12.873) 12.913 1.505 ( 2.013 -3.486 7.145) 8.201 1.585 ( -7.341 12.716 5.496) 15.678 1.749 ( -5.932 10.275 -1.473) 11.955 2.206 ( 4.027 -6.975 -12.071) 14.511 2.309 ( 6.684 -11.577 1.210) 13.423 2.543 ( 1.516 -2.625 -1.964) 3.612 2.654 ( -1.438 2.491 -3.739) 4.717 2.670 ( -1.764 3.055 -9.411) 10.051 2.805 ( -0.465 0.806 0.853) 1.263 2.825 ( -2.034 3.523 -5.745) 7.040 2.934 ( 1.008 -1.746 -13.493) 13.643 3.044 ( -2.315 4.010 5.841) 7.454 3.100 ( 0.832 -1.442 1.987) 2.592 3.115 ( -0.474 0.822 -17.288) 17.314 3.220 ( -0.395 0.685 0.927) 1.218 3.352 ( 2.212 -3.832 -0.013) 4.424 3.428 ( -1.069 1.851 6.575) 6.914 3.577 ( 3.112 -5.390 -1.110) 6.322 3.801 ( -1.894 3.280 8.583) 9.382 3.827 ( -3.492 6.049 1.926) 7.245 3.964 ( 0.970 -1.681 2.280) 2.994 4.009 ( 0.508 -0.880 0.040) 1.017 4.098 ( -0.323 0.560 -2.573) 2.653 4.108 ( -2.299 3.982 -0.056) 4.598 4.173 ( -0.249 0.432 -0.542) 0.736 4.246 ( 2.350 -4.071 -0.955) 4.797 4.298 ( 0.739 -1.281 1.749) 2.290 4.399 ( -0.204 0.353 1.352) 1.412 4.409 ( -1.464 2.535 2.256) 3.696 4.492 ( -2.598 4.500 -0.567) 5.226 4.591 ( 1.640 -2.840 -1.640) 3.667 4.607 ( 1.392 -2.410 1.718) 3.271 4.638 ( -1.252 2.169 3.623) 4.404 4.744 ( 2.090 -3.620 2.657) 4.953 4.768 ( 1.126 -1.950 4.080) 4.660 4.886 ( -0.830 1.438 4.273) 4.585 4.947 ( -0.797 1.380 4.426) 4.704 5.003 ( -0.227 0.394 -0.002) 0.455 5.189 ( 3.012 -5.216 0.099) 6.024 5.236 ( -0.486 0.842 -0.764) 1.236 5.375 ( -0.349 0.605 -4.235) 4.292 5.386 ( 0.559 -0.969 -2.467) 2.708 5.474 ( -2.218 3.842 1.086) 4.567 5.549 ( -0.126 0.218 -0.495) 0.555 5.633 ( 1.087 -1.882 -3.321) 3.969 5.814 ( 0.124 -0.215 0.844) 0.879 5.827 ( 0.871 -1.509 -1.577) 2.350 5.882 ( 2.179 -3.774 -0.416) 4.377 5.978 ( -0.172 0.298 -1.207) 1.255 6.139 ( -0.046 0.079 7.759) 7.760 6.148 ( 0.537 -0.929 6.716) 6.802 6.348 ( -2.853 4.941 1.596) 5.925 6.449 ( -1.095 1.897 -0.176) 2.198 6.518 ( 2.205 -3.819 -2.176) 4.918 6.566 ( -0.354 0.614 -0.426) 0.827 6.648 ( -0.573 0.992 -0.599) 1.292 6.671 ( 0.758 -1.312 -0.351) 1.555 8.982 ( -0.745 1.291 -0.223) 1.507 9.068 ( 0.569 -0.986 -1.095) 1.580 10.638 ( 0.136 -0.235 1.371) 1.397 10.676 ( -0.370 0.640 0.916) 1.177 10.709 ( 0.231 -0.400 0.556) 0.723 10.739 ( -0.003 0.005 0.302) 0.302 10.860 ( -0.186 0.322 -0.201) 0.423 10.884 ( 0.184 -0.319 -0.381) 0.530 ======================= Grid point 72 (16/32) ======================= q-point: ( 0.29 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( 4.244 7.350 12.024) 14.718 1.460 ( 0.274 0.474 8.699) 8.716 1.779 ( 5.442 9.425 3.886) 11.556 1.945 ( 1.354 2.346 -6.171) 6.739 2.078 ( -1.535 -2.659 -4.638) 5.562 2.109 ( -4.865 -8.426 -0.761) 9.760 2.535 ( 1.108 1.919 -3.180) 3.876 2.619 ( -0.294 -0.510 -4.066) 4.108 2.736 ( -0.658 -1.140 -6.397) 6.531 2.825 ( 1.289 2.233 -10.404) 10.719 2.877 ( -1.241 -2.149 -3.092) 3.965 2.935 ( 0.191 0.331 -3.536) 3.557 2.965 ( 0.821 1.422 3.262) 3.651 3.126 ( -0.008 -0.015 -17.374) 17.374 3.184 ( 3.366 5.830 2.843) 7.307 3.218 ( 1.495 2.589 0.057) 2.991 3.303 ( -2.583 -4.473 -0.380) 5.179 3.456 ( 0.940 1.629 6.942) 7.193 3.520 ( -2.298 -3.980 -2.608) 5.284 3.835 ( 2.832 4.906 6.553) 8.662 3.895 ( 0.144 0.249 4.714) 4.723 3.952 ( -1.379 -2.388 2.648) 3.823 4.000 ( 1.322 2.289 0.820) 2.768 4.099 ( 0.890 1.542 -2.457) 3.035 4.126 ( 0.237 0.411 -0.977) 1.086 4.185 ( -1.162 -2.013 0.472) 2.372 4.202 ( -2.453 -4.249 -3.898) 6.266 4.319 ( 3.165 5.482 2.729) 6.893 4.361 ( 3.249 5.628 0.952) 6.568 4.465 ( -2.097 -3.632 1.318) 4.396 4.511 ( 2.919 5.056 1.796) 6.108 4.556 ( -1.193 -2.066 3.055) 3.876 4.594 ( -1.412 -2.446 -1.920) 3.415 4.666 ( -3.986 -6.904 2.950) 8.501 4.706 ( 0.171 0.296 4.448) 4.461 4.752 ( -1.181 -2.045 3.688) 4.379 4.893 ( 1.301 2.253 4.020) 4.789 4.996 ( 0.122 0.211 0.498) 0.554 5.011 ( 0.422 0.730 2.591) 2.725 5.082 ( -0.353 -0.611 0.712) 1.003 5.269 ( -2.671 -4.626 -1.116) 5.457 5.336 ( 2.994 5.186 -2.492) 6.486 5.416 ( -1.724 -2.986 -6.362) 7.237 5.524 ( 1.543 2.672 -0.104) 3.087 5.554 ( -0.385 -0.667 1.205) 1.430 5.599 ( -1.797 -3.112 -3.299) 4.879 5.795 ( 0.188 0.325 1.461) 1.509 5.830 ( -0.411 -0.711 -1.034) 1.320 5.837 ( -1.690 -2.927 -0.225) 3.388 5.982 ( -0.058 -0.100 -1.205) 1.211 6.139 ( 0.138 0.240 7.825) 7.830 6.143 ( -0.200 -0.346 6.887) 6.899 6.410 ( 0.617 1.068 0.259) 1.261 6.451 ( 0.291 0.504 -1.131) 1.272 6.490 ( -0.355 -0.615 -1.320) 1.499 6.570 ( 1.145 1.983 -0.600) 2.367 6.647 ( -0.089 -0.154 -0.221) 0.284 6.662 ( -0.719 -1.245 -0.012) 1.438 8.997 ( 1.575 2.728 -0.350) 3.170 9.056 ( -1.307 -2.264 -0.952) 2.782 10.635 ( -0.087 -0.151 1.402) 1.413 10.684 ( 0.463 0.802 0.816) 1.234 10.703 ( -0.389 -0.674 0.617) 0.993 10.739 ( 0.026 0.044 0.304) 0.309 10.864 ( 0.389 0.674 -0.232) 0.813 10.880 ( -0.396 -0.685 -0.367) 0.872 ======================= Grid point 110 (17/32) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( 0.000 -0.000 17.928) 17.928 0.829 ( -0.000 -0.000 17.928) 17.928 1.747 ( 0.000 0.000 34.675) 34.675 1.999 ( -0.000 0.000 -16.577) 16.577 1.999 ( 0.000 0.000 -16.577) 16.577 2.222 ( 0.000 -0.000 -5.243) 5.243 2.222 ( 0.000 -0.000 -5.243) 5.243 2.329 ( 0.000 0.000 6.789) 6.789 2.606 ( 0.000 0.000 0.964) 0.964 2.606 ( 0.000 0.000 0.964) 0.964 2.834 ( -0.000 0.000 -3.478) 3.478 2.834 ( -0.000 0.000 -3.478) 3.478 3.112 ( -0.000 0.000 0.815) 0.815 3.112 ( 0.000 0.000 0.815) 0.815 3.264 ( 0.000 0.000 6.472) 6.472 3.297 ( 0.000 -0.000 -2.659) 2.659 3.309 ( -0.000 -0.000 0.055) 0.055 3.309 ( 0.000 -0.000 0.055) 0.055 3.575 ( 0.000 0.000 -3.721) 3.721 3.668 ( -0.000 0.000 -2.724) 2.724 3.789 ( 0.000 0.000 -11.400) 11.400 3.789 ( 0.000 -0.000 -11.400) 11.400 3.867 ( 0.000 0.000 -0.348) 0.348 3.895 ( 0.000 0.000 -5.849) 5.849 3.911 ( 0.000 -0.000 -9.311) 9.311 4.028 ( -0.000 0.000 -3.067) 3.067 4.089 ( 0.000 0.000 4.779) 4.779 4.089 ( 0.000 -0.000 4.779) 4.779 4.382 ( -0.000 0.000 3.020) 3.020 4.471 ( -0.000 0.000 -5.121) 5.121 4.471 ( 0.000 -0.000 -5.121) 5.121 4.541 ( 0.000 0.000 9.551) 9.551 4.541 ( 0.000 0.000 9.551) 9.551 4.774 ( 0.000 0.000 3.987) 3.987 4.774 ( -0.000 0.000 3.987) 3.987 5.097 ( -0.000 0.000 4.670) 4.670 5.097 ( 0.000 0.000 4.670) 4.670 5.119 ( -0.000 0.000 -15.987) 15.987 5.151 ( 0.000 0.000 1.342) 1.342 5.151 ( 0.000 -0.000 1.342) 1.342 5.421 ( -0.000 0.000 9.343) 9.343 5.571 ( 0.000 -0.000 -1.697) 1.697 5.631 ( 0.000 0.000 5.396) 5.396 5.631 ( 0.000 -0.000 5.396) 5.396 5.724 ( 0.000 0.000 4.012) 4.012 5.724 ( -0.000 0.000 4.012) 4.012 5.822 ( -0.000 0.000 -1.381) 1.381 5.822 ( -0.000 0.000 -1.381) 1.381 6.011 ( 0.000 0.000 -2.927) 2.927 6.011 ( 0.000 0.000 -2.927) 2.927 6.298 ( 0.000 -0.000 2.516) 2.516 6.340 ( 0.000 0.000 6.124) 6.124 6.387 ( -0.000 0.000 0.790) 0.790 6.387 ( 0.000 0.000 0.790) 0.790 6.456 ( -0.000 -0.000 5.591) 5.591 6.484 ( -0.000 0.000 -2.457) 2.457 6.567 ( -0.000 0.000 -4.299) 4.299 6.567 ( -0.000 0.000 -4.299) 4.299 8.854 ( 0.000 0.000 2.163) 2.163 9.081 ( -0.000 0.000 -3.891) 3.891 10.683 ( 0.000 0.000 1.720) 1.720 10.683 ( 0.000 0.000 1.720) 1.720 10.736 ( 0.000 -0.000 0.266) 0.266 10.736 ( -0.000 -0.000 0.266) 0.266 10.853 ( 0.000 -0.000 0.029) 0.029 10.901 ( 0.000 0.000 -0.908) 0.908 ======================= Grid point 111 (18/32) ======================= q-point: ( 0.14 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( 9.465 5.465 15.527) 18.988 1.041 ( 15.880 9.169 13.601) 22.831 1.779 ( 2.921 1.687 25.171) 25.396 2.009 ( 0.178 0.103 -12.577) 12.579 2.043 ( 3.502 2.022 -12.376) 13.020 2.200 ( -1.252 -0.723 -7.260) 7.403 2.242 ( -1.699 -0.981 2.926) 3.523 2.313 ( 3.499 2.020 -1.621) 4.354 2.593 ( -1.050 -0.607 0.625) 1.365 2.662 ( 4.120 2.379 -0.950) 4.851 2.784 ( -4.346 -2.509 -5.549) 7.481 2.893 ( 5.046 2.913 -1.360) 5.983 2.959 ( -8.808 -5.085 0.338) 10.176 3.033 ( -5.386 -3.109 -0.711) 6.260 3.226 ( -5.708 -3.296 1.040) 6.673 3.264 ( -2.952 -1.704 1.214) 3.619 3.358 ( 3.829 2.211 0.048) 4.422 3.439 ( 10.118 5.842 4.746) 12.610 3.615 ( 1.915 1.106 -4.846) 5.327 3.705 ( -4.683 -2.703 -8.906) 10.419 3.748 ( 5.990 3.458 -2.403) 7.322 3.783 ( 0.740 0.427 -8.061) 8.106 3.907 ( 3.185 1.839 0.925) 3.792 3.920 ( 1.942 1.121 -4.162) 4.728 3.976 ( 3.349 1.933 -8.034) 8.916 4.057 ( 2.124 1.226 -2.042) 3.191 4.135 ( 3.996 2.307 2.412) 5.207 4.144 ( 4.904 2.831 1.543) 5.869 4.325 ( -3.808 -2.199 2.845) 5.237 4.465 ( -0.135 -0.078 -2.335) 2.340 4.471 ( -0.343 -0.198 -1.703) 1.748 4.556 ( 1.046 0.604 6.018) 6.138 4.563 ( 1.562 0.902 6.489) 6.735 4.781 ( 0.769 0.444 3.752) 3.856 4.826 ( 3.798 2.193 2.567) 5.082 5.055 ( -2.319 -1.339 -0.971) 2.848 5.067 ( -2.871 -1.658 4.584) 5.657 5.128 ( -2.088 -1.206 1.409) 2.792 5.141 ( -0.589 -0.340 -0.577) 0.892 5.161 ( 1.811 1.046 -7.506) 7.792 5.400 ( -2.273 -1.312 8.701) 9.089 5.491 ( -6.786 -3.918 1.851) 8.051 5.528 ( -9.455 -5.459 4.767) 11.913 5.602 ( -1.444 -0.833 3.111) 3.529 5.675 ( -1.972 -1.139 3.488) 4.166 5.704 ( -0.870 -0.502 2.430) 2.630 5.826 ( -1.057 -0.610 -0.959) 1.552 5.865 ( 2.264 1.307 -1.775) 3.160 5.980 ( -3.152 -1.820 -3.456) 5.019 5.999 ( -1.145 -0.661 -3.089) 3.360 6.323 ( -1.012 -0.584 7.077) 7.173 6.329 ( -0.095 -0.055 1.615) 1.619 6.348 ( -2.468 -1.425 2.507) 3.796 6.368 ( 2.746 1.585 1.851) 3.672 6.476 ( 0.951 0.549 4.137) 4.280 6.530 ( 1.926 1.112 -2.502) 3.348 6.572 ( -0.098 -0.056 -4.507) 4.508 6.591 ( 2.461 1.421 -3.385) 4.420 8.872 ( 1.628 0.940 1.946) 2.705 9.079 ( -0.283 -0.164 -3.568) 3.583 10.682 ( -0.109 -0.063 1.762) 1.766 10.685 ( 0.151 0.087 1.665) 1.674 10.735 ( -0.134 -0.077 0.291) 0.330 10.738 ( 0.146 0.084 0.234) 0.288 10.849 ( -0.216 -0.125 0.206) 0.324 10.897 ( -0.334 -0.193 -0.883) 0.964 ======================= Grid point 112 (19/32) ======================= q-point: ( 0.29 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( 13.314 7.687 11.432) 19.158 1.367 ( 12.984 7.496 12.831) 19.733 1.848 ( 1.648 0.952 5.918) 6.217 1.946 ( -6.605 -3.814 -1.459) 7.766 2.044 ( -2.782 -1.606 -0.525) 3.255 2.222 ( 3.692 2.132 -13.096) 13.773 2.277 ( 5.964 3.443 -4.369) 8.155 2.465 ( 8.692 5.019 -1.646) 10.171 2.571 ( -0.756 -0.436 -1.003) 1.329 2.669 ( -5.909 -3.412 -9.016) 11.307 2.732 ( 1.279 0.738 -8.689) 8.814 2.779 ( -7.679 -4.433 -1.716) 9.031 2.914 ( -3.809 -2.199 0.160) 4.401 3.052 ( 8.431 4.868 5.599) 11.231 3.128 ( -2.499 -1.443 1.393) 3.204 3.218 ( -1.208 -0.698 2.782) 3.113 3.418 ( 1.003 0.579 0.786) 1.399 3.578 ( -3.077 -1.776 -1.981) 4.068 3.593 ( 3.079 1.778 -3.239) 4.810 3.696 ( 2.343 1.353 -4.172) 4.972 3.837 ( 5.499 3.175 1.544) 6.535 3.916 ( 6.612 3.817 0.373) 7.644 3.958 ( 1.314 0.758 -2.405) 2.843 3.983 ( 4.815 2.780 2.194) 5.977 4.021 ( 0.647 0.374 -5.196) 5.250 4.127 ( 4.723 2.727 -0.874) 5.523 4.210 ( 1.370 0.791 2.975) 3.369 4.255 ( 4.493 2.594 -0.889) 5.264 4.267 ( -0.903 -0.521 -1.876) 2.147 4.462 ( -0.094 -0.054 0.457) 0.469 4.481 ( 1.460 0.843 -2.068) 2.668 4.575 ( 0.547 0.316 2.306) 2.391 4.590 ( 0.939 0.542 5.719) 5.820 4.815 ( 2.234 1.290 1.978) 3.250 4.898 ( 2.505 1.446 2.334) 3.717 4.969 ( -6.258 -3.613 4.741) 8.643 5.005 ( -2.541 -1.467 1.021) 3.106 5.068 ( -3.353 -1.936 1.654) 4.210 5.100 ( -3.997 -2.308 1.564) 4.874 5.180 ( -1.084 -0.626 -7.033) 7.144 5.295 ( -2.518 -1.454 3.973) 4.924 5.314 ( -8.603 -4.967 4.445) 10.883 5.428 ( -0.104 -0.060 3.992) 3.994 5.573 ( -1.396 -0.806 1.267) 2.050 5.599 ( -6.219 -3.590 -0.418) 7.193 5.670 ( -2.568 -1.482 0.115) 2.967 5.788 ( -1.257 -0.726 0.351) 1.494 5.897 ( 0.724 0.418 -2.121) 2.280 5.906 ( -2.998 -1.731 -2.086) 4.042 5.967 ( -1.532 -0.884 -2.661) 3.195 6.305 ( -0.970 -0.560 4.431) 4.570 6.315 ( -0.148 -0.085 7.301) 7.303 6.317 ( -0.207 -0.120 2.031) 2.045 6.460 ( 3.704 2.138 -0.211) 4.282 6.481 ( -0.433 -0.250 2.984) 3.026 6.554 ( -1.304 -0.753 -3.857) 4.141 6.562 ( 1.723 0.995 -1.674) 2.601 6.647 ( 2.017 1.165 -1.890) 3.000 8.918 ( 2.379 1.373 1.311) 3.043 9.068 ( -0.704 -0.406 -2.731) 2.849 10.679 ( -0.121 -0.070 1.851) 1.856 10.689 ( 0.245 0.141 1.511) 1.537 10.731 ( -0.255 -0.147 0.386) 0.485 10.742 ( 0.166 0.096 0.166) 0.254 10.848 ( 0.097 0.056 0.187) 0.218 10.888 ( -0.512 -0.296 -0.794) 0.990 ======================= Grid point 113 (20/32) ======================= q-point: ( 0.43 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( 13.254 7.652 7.960) 17.251 1.600 ( 9.219 5.323 11.992) 16.036 1.750 ( -11.110 -6.414 3.889) 13.405 1.776 ( -6.972 -4.025 6.361) 10.260 2.035 ( 0.845 0.488 -5.360) 5.448 2.328 ( 5.116 2.954 -11.952) 13.332 2.420 ( 6.180 3.568 -7.486) 10.342 2.526 ( -5.217 -3.012 -10.241) 11.881 2.581 ( 0.047 0.027 -5.353) 5.354 2.595 ( 2.390 1.380 -7.250) 7.757 2.653 ( -3.546 -2.047 -1.965) 4.541 2.677 ( -4.939 -2.851 -12.431) 13.677 2.909 ( 2.044 1.180 3.089) 3.888 3.104 ( 0.274 0.158 2.763) 2.781 3.205 ( -0.158 -0.091 3.186) 3.191 3.249 ( 7.020 4.053 6.798) 10.579 3.408 ( -0.907 -0.524 0.223) 1.071 3.545 ( -0.225 -0.130 4.823) 4.830 3.615 ( 0.092 0.053 -7.614) 7.615 3.736 ( 0.430 0.248 0.657) 0.823 3.914 ( 1.151 0.664 5.836) 5.986 3.976 ( 0.590 0.341 -3.555) 3.620 4.011 ( -0.995 -0.575 -3.308) 3.502 4.029 ( 4.448 2.568 1.945) 5.492 4.078 ( 1.391 0.803 3.398) 3.759 4.210 ( 0.018 0.011 3.150) 3.150 4.248 ( -1.586 -0.916 -2.806) 3.350 4.261 ( 5.458 3.151 -0.771) 6.349 4.352 ( 6.150 3.551 0.356) 7.110 4.470 ( -3.105 -1.793 -0.463) 3.616 4.472 ( 0.638 0.368 1.531) 1.699 4.573 ( -0.516 -0.298 -2.569) 2.637 4.631 ( 2.189 1.264 2.977) 3.906 4.758 ( -7.231 -4.175 3.006) 8.874 4.903 ( 0.731 0.422 5.005) 5.075 4.918 ( -1.713 -0.989 7.657) 7.908 4.959 ( 0.979 0.565 2.971) 3.179 5.005 ( -1.622 -0.937 0.901) 2.079 5.015 ( -2.735 -1.579 1.080) 3.337 5.148 ( -0.959 -0.554 -5.057) 5.176 5.217 ( -0.377 -0.218 1.475) 1.538 5.330 ( 2.995 1.729 -1.774) 3.887 5.425 ( -0.802 -0.463 1.877) 2.092 5.438 ( -6.594 -3.807 -1.712) 7.804 5.546 ( -0.710 -0.410 0.686) 1.069 5.607 ( -2.304 -1.330 -2.310) 3.523 5.786 ( 0.580 0.335 -0.363) 0.762 5.856 ( -1.532 -0.885 0.357) 1.805 5.906 ( 0.346 0.200 -1.074) 1.146 5.943 ( -0.705 -0.407 -1.848) 2.019 6.296 ( 0.028 0.016 3.933) 3.933 6.317 ( 0.064 0.037 2.205) 2.206 6.317 ( 0.101 0.059 8.243) 8.244 6.467 ( -0.558 -0.322 2.460) 2.543 6.504 ( 0.721 0.416 -3.083) 3.193 6.529 ( -0.752 -0.434 -3.169) 3.286 6.608 ( 1.814 1.047 0.246) 2.109 6.669 ( 0.181 0.105 -1.016) 1.037 8.963 ( 1.481 0.855 0.548) 1.796 9.051 ( -0.746 -0.431 -1.801) 1.997 10.677 ( -0.050 -0.029 1.918) 1.919 10.694 ( 0.139 0.080 1.356) 1.366 10.726 ( -0.148 -0.085 0.483) 0.512 10.744 ( 0.070 0.040 0.116) 0.141 10.852 ( 0.204 0.118 -0.040) 0.239 10.878 ( -0.338 -0.195 -0.649) 0.757 ======================= Grid point 118 (21/32) ======================= q-point: ( 0.14 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( 8.429 14.600 12.320) 20.880 1.272 ( 7.703 13.342 12.213) 19.660 1.819 ( 1.179 2.042 9.199) 9.497 2.048 ( -1.177 -2.039 -3.610) 4.309 2.086 ( 2.475 4.287 -6.679) 8.313 2.093 ( -2.553 -4.421 -1.038) 5.210 2.317 ( 1.200 2.079 -1.037) 2.615 2.335 ( 2.690 4.660 -9.092) 10.565 2.616 ( 0.950 1.646 -3.466) 3.953 2.706 ( 0.859 1.488 -6.429) 6.654 2.744 ( -0.440 -0.763 -5.357) 5.429 2.811 ( -4.324 -7.489 -0.096) 8.649 2.957 ( -2.198 -3.806 0.903) 4.487 2.979 ( 2.294 3.974 1.063) 4.710 3.179 ( -1.041 -1.803 2.095) 2.954 3.190 ( -1.806 -3.128 2.226) 4.243 3.408 ( 1.107 1.917 1.060) 2.454 3.542 ( 1.359 2.354 -1.091) 2.929 3.598 ( -3.214 -5.566 -4.707) 7.967 3.686 ( 3.562 6.170 -2.205) 7.458 3.846 ( 3.066 5.311 -4.560) 7.642 3.870 ( 4.277 7.409 0.576) 8.574 3.937 ( 1.139 1.973 -0.231) 2.290 3.962 ( 1.963 3.400 -2.570) 4.693 4.025 ( 1.645 2.848 -2.661) 4.231 4.080 ( 1.176 2.038 -0.759) 2.472 4.220 ( 2.808 4.863 -0.164) 5.618 4.223 ( 2.416 4.185 0.056) 4.833 4.272 ( -1.195 -2.070 0.633) 2.473 4.462 ( 0.207 0.359 0.165) 0.446 4.474 ( 0.338 0.586 -1.564) 1.704 4.562 ( -0.062 -0.107 3.076) 3.078 4.597 ( 1.327 2.299 5.489) 6.097 4.791 ( 0.528 0.914 2.727) 2.924 4.886 ( 1.873 3.244 2.019) 4.256 5.009 ( -2.685 -4.650 4.280) 6.867 5.015 ( -1.684 -2.916 0.655) 3.430 5.075 ( -2.451 -4.245 1.187) 5.043 5.137 ( -0.501 -0.868 2.546) 2.736 5.179 ( 0.229 0.397 -9.420) 9.431 5.311 ( -5.320 -9.215 4.409) 11.518 5.355 ( -2.460 -4.262 7.557) 9.018 5.503 ( -1.419 -2.458 3.902) 4.824 5.506 ( -2.729 -4.727 0.579) 5.489 5.660 ( -0.852 -1.476 2.884) 3.350 5.663 ( -1.800 -3.118 -0.675) 3.663 5.843 ( -0.276 -0.479 -0.402) 0.683 5.849 ( -0.782 -1.355 -2.151) 2.660 5.939 ( -1.846 -3.198 -2.861) 4.671 5.959 ( -0.929 -1.608 -2.335) 2.983 6.297 ( -1.367 -2.367 2.532) 3.726 6.313 ( -0.094 -0.162 7.864) 7.866 6.361 ( 0.997 1.726 1.712) 2.627 6.422 ( 2.202 3.814 2.126) 4.890 6.490 ( 0.436 0.755 3.149) 3.268 6.512 ( -1.226 -2.123 -4.010) 4.701 6.602 ( 0.677 1.173 -2.947) 3.243 6.623 ( 1.429 2.475 -2.221) 3.619 8.904 ( 1.355 2.347 1.508) 3.101 9.072 ( -0.345 -0.597 -2.984) 3.062 10.680 ( -0.100 -0.173 1.833) 1.844 10.689 ( 0.175 0.303 1.547) 1.586 10.732 ( -0.149 -0.258 0.361) 0.468 10.741 ( 0.098 0.169 0.184) 0.268 10.848 ( 0.008 0.015 0.227) 0.227 10.891 ( -0.288 -0.499 -0.825) 1.006 ======================= Grid point 119 (22/32) ======================= q-point: ( 0.29 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.424 ( 8.138 15.483 9.109) 19.721 1.504 ( 9.265 7.280 11.931) 16.768 1.816 ( -3.148 -2.562 0.215) 4.064 1.910 ( -8.069 -3.587 5.647) 10.482 2.024 ( -4.071 1.544 -2.857) 5.208 2.226 ( 10.903 -3.483 -3.356) 11.928 2.357 ( 1.876 5.004 -9.569) 10.960 2.458 ( 6.286 0.566 -7.467) 9.777 2.575 ( -3.614 -3.929 -11.462) 12.644 2.645 ( -4.069 -5.963 -7.379) 10.323 2.709 ( -4.300 2.072 -8.749) 9.966 2.764 ( -2.644 0.973 -6.877) 7.432 2.933 ( -1.030 5.296 6.081) 8.129 3.090 ( 8.588 -1.015 5.128) 10.054 3.139 ( -1.816 3.830 4.035) 5.852 3.216 ( 3.608 1.500 2.981) 4.915 3.393 ( -1.087 -4.236 -1.024) 4.491 3.544 ( 0.018 -1.046 0.097) 1.051 3.559 ( 1.705 -2.010 -0.331) 2.656 3.791 ( 0.983 6.635 -2.499) 7.158 3.916 ( 0.887 2.634 0.718) 2.870 3.948 ( 1.184 0.514 -0.621) 1.432 3.982 ( 1.251 0.571 -0.426) 1.440 4.043 ( 2.310 3.488 1.741) 4.532 4.092 ( 1.066 6.183 1.535) 6.459 4.187 ( 6.998 5.414 -0.617) 8.869 4.206 ( -1.226 -2.561 -0.215) 2.847 4.267 ( -0.763 1.422 -0.144) 1.620 4.313 ( 3.182 2.457 0.986) 4.140 4.477 ( 0.066 1.622 -0.366) 1.665 4.502 ( -0.447 1.621 -2.213) 2.780 4.556 ( 1.397 -1.341 0.944) 2.154 4.631 ( 0.133 2.366 4.201) 4.824 4.813 ( 0.033 -1.121 0.538) 1.243 4.876 ( -4.416 -4.728 3.986) 7.599 4.926 ( -2.297 -4.725 6.263) 8.175 4.950 ( 0.762 -0.270 3.754) 3.840 5.003 ( -1.159 -2.674 -0.454) 2.949 5.083 ( -4.884 -0.591 3.231) 5.886 5.155 ( -0.377 -2.294 -1.617) 2.832 5.229 ( -1.474 -1.004 -1.646) 2.427 5.299 ( 1.238 -0.312 1.411) 1.903 5.408 ( -2.770 -4.557 1.234) 5.474 5.495 ( -0.662 -1.254 0.120) 1.423 5.575 ( -3.760 -2.192 -2.155) 4.857 5.618 ( -1.911 -3.219 -0.397) 3.765 5.800 ( -1.734 1.074 0.102) 2.043 5.851 ( 0.813 -2.625 -0.517) 2.797 5.890 ( -0.443 -2.255 -0.576) 2.369 5.947 ( -0.165 -0.144 -1.824) 1.837 6.264 ( -0.352 -1.538 3.002) 3.392 6.316 ( 0.097 0.101 8.215) 8.216 6.386 ( -1.305 4.146 1.482) 4.592 6.464 ( 0.943 -1.334 1.280) 2.075 6.470 ( -0.525 -2.034 -2.403) 3.191 6.524 ( 1.797 1.074 -0.386) 2.129 6.617 ( 0.029 2.260 -1.182) 2.551 6.660 ( 0.930 0.326 -1.153) 1.517 8.952 ( 1.618 2.154 0.755) 2.798 9.056 ( -0.711 -0.954 -2.045) 2.366 10.677 ( -0.046 -0.202 1.931) 1.942 10.695 ( 0.149 0.468 1.335) 1.423 10.726 ( -0.178 -0.344 0.488) 0.623 10.743 ( 0.090 0.089 0.127) 0.179 10.851 ( 0.189 0.291 0.022) 0.348 10.880 ( -0.367 -0.504 -0.691) 0.931 ======================= Grid point 120 (23/32) ======================= q-point: ( 0.43 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.642 ( -0.759 1.314 11.890) 11.986 1.677 ( -1.351 2.341 7.002) 7.506 1.701 ( -1.296 2.244 -0.574) 2.654 1.756 ( -4.873 8.440 10.278) 14.163 2.003 ( 1.757 -3.043 -5.916) 6.881 2.330 ( 5.971 -10.342 -0.663) 11.961 2.427 ( -3.206 5.554 -9.212) 11.224 2.492 ( 1.744 -3.020 -14.948) 15.349 2.494 ( 2.687 -4.653 -4.487) 7.000 2.584 ( -1.526 2.644 -11.764) 12.154 2.684 ( -0.545 0.943 -15.225) 15.264 2.719 ( -0.995 1.724 -4.282) 4.722 2.958 ( -2.411 4.176 5.627) 7.410 3.124 ( 0.273 -0.473 1.356) 1.462 3.179 ( -0.722 1.251 3.819) 4.084 3.301 ( -0.036 0.063 6.735) 6.735 3.354 ( 2.383 -4.128 -0.076) 4.767 3.536 ( 3.290 -5.699 -3.187) 7.312 3.567 ( -1.552 2.688 5.955) 6.715 3.829 ( -3.807 6.594 -1.847) 7.835 3.928 ( 0.626 -1.085 0.336) 1.297 3.975 ( 0.655 -1.134 -2.403) 2.737 3.983 ( -1.296 2.245 1.781) 3.145 4.087 ( -0.059 0.103 3.658) 3.659 4.120 ( -1.837 3.182 0.230) 3.681 4.189 ( 1.725 -2.987 -0.804) 3.542 4.211 ( 0.133 -0.230 3.190) 3.201 4.321 ( -1.551 2.686 0.138) 3.105 4.423 ( -0.494 0.856 0.618) 1.166 4.448 ( -0.530 0.918 0.643) 1.240 4.501 ( -1.498 2.594 -0.404) 3.023 4.552 ( 0.971 -1.682 -2.062) 2.832 4.647 ( -0.117 0.203 1.820) 1.835 4.736 ( -1.322 2.290 3.860) 4.679 4.854 ( 2.007 -3.476 2.926) 4.967 4.870 ( 2.016 -3.491 8.459) 9.370 4.981 ( 0.423 -0.734 -1.241) 1.503 5.001 ( -0.905 1.568 5.909) 6.180 5.009 ( -0.361 0.626 1.152) 1.360 5.142 ( 0.586 -1.015 -3.599) 3.786 5.226 ( -0.261 0.452 -0.157) 0.545 5.330 ( 1.834 -3.177 0.466) 3.698 5.338 ( 0.669 -1.159 -1.460) 1.980 5.463 ( -0.672 1.163 -3.452) 3.704 5.547 ( -0.233 0.404 0.367) 0.593 5.577 ( 0.744 -1.289 -1.459) 2.084 5.799 ( -0.447 0.775 -0.618) 1.087 5.837 ( 0.544 -0.942 0.849) 1.379 5.880 ( 1.418 -2.456 0.275) 2.849 5.945 ( -0.297 0.514 -1.699) 1.799 6.255 ( 0.544 -0.942 3.112) 3.296 6.315 ( 0.318 -0.550 7.646) 7.672 6.397 ( -2.449 4.241 2.369) 5.440 6.455 ( 1.857 -3.216 -3.314) 4.977 6.461 ( 0.004 -0.007 1.752) 1.752 6.542 ( -0.373 0.647 -1.858) 2.003 6.639 ( -0.842 1.458 -0.113) 1.688 6.662 ( 0.402 -0.696 -0.525) 0.960 8.981 ( -0.556 0.962 0.196) 1.128 9.040 ( 0.355 -0.615 -1.400) 1.569 10.675 ( 0.091 -0.158 1.976) 1.984 10.699 ( -0.248 0.429 1.206) 1.304 10.722 ( 0.160 -0.278 0.573) 0.656 10.745 ( -0.001 0.002 0.103) 0.103 10.855 ( -0.128 0.222 -0.151) 0.298 10.873 ( 0.149 -0.258 -0.569) 0.642 ======================= Grid point 127 (24/32) ======================= q-point: ( 0.29 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.626 ( 3.639 6.303 10.530) 12.800 1.674 ( 3.051 5.284 10.076) 11.779 1.775 ( -1.464 -2.536 -4.194) 5.115 1.876 ( 3.387 5.866 4.402) 8.079 2.075 ( -2.690 -4.659 2.323) 5.860 2.090 ( -1.642 -2.844 -0.556) 3.331 2.437 ( -1.457 -2.524 -5.435) 6.167 2.444 ( -0.363 -0.630 -14.129) 14.148 2.538 ( 2.661 4.609 -7.037) 8.822 2.611 ( 1.076 1.863 -10.738) 10.951 2.689 ( -1.168 -2.023 -18.401) 18.549 2.711 ( -3.455 -5.985 -7.265) 10.027 3.041 ( 1.466 2.539 6.609) 7.230 3.074 ( 0.566 0.980 4.675) 4.810 3.239 ( 1.401 2.426 1.854) 3.359 3.265 ( 2.515 4.357 3.332) 6.034 3.310 ( -1.698 -2.940 1.443) 3.689 3.472 ( -2.046 -3.544 -2.166) 4.630 3.608 ( 2.025 3.508 6.770) 7.890 3.880 ( 1.363 2.361 -2.762) 3.880 3.916 ( -1.134 -1.964 -3.466) 4.142 3.977 ( 1.923 3.330 -2.592) 4.637 4.027 ( 1.263 2.188 6.361) 6.844 4.071 ( 0.886 1.535 1.347) 2.226 4.130 ( -1.804 -3.124 0.443) 3.634 4.167 ( 0.023 0.040 2.022) 2.023 4.214 ( -1.881 -3.258 1.906) 4.217 4.373 ( 4.418 7.653 0.047) 8.837 4.379 ( 2.980 5.161 2.516) 6.469 4.478 ( -1.162 -2.012 -0.291) 2.341 4.530 ( -0.092 -0.159 -0.497) 0.530 4.540 ( 0.026 0.045 -2.531) 2.532 4.644 ( -0.577 -0.999 4.335) 4.485 4.800 ( -0.789 -1.367 3.136) 3.511 4.803 ( -1.102 -1.908 2.582) 3.395 4.821 ( -1.505 -2.606 6.472) 7.137 4.976 ( -0.248 -0.429 -2.403) 2.453 4.989 ( 2.095 3.629 4.181) 5.919 5.064 ( -1.213 -2.101 3.755) 4.471 5.093 ( -1.970 -3.412 0.320) 3.953 5.231 ( -0.085 -0.148 -1.590) 1.599 5.303 ( 0.840 1.455 -0.298) 1.706 5.330 ( -1.501 -2.600 -0.928) 3.143 5.467 ( -1.569 -2.717 -6.349) 7.082 5.550 ( 0.330 0.572 -0.255) 0.708 5.573 ( -0.940 -1.628 0.160) 1.887 5.813 ( 0.093 0.161 -0.463) 0.499 5.822 ( -0.226 -0.392 0.638) 0.782 5.850 ( -0.791 -1.370 1.467) 2.157 5.951 ( 0.124 0.215 -1.601) 1.621 6.258 ( 0.443 0.768 3.049) 3.176 6.300 ( -1.035 -1.793 5.609) 5.979 6.418 ( 0.189 0.328 -0.853) 0.933 6.437 ( -0.725 -1.255 2.513) 2.901 6.472 ( 0.814 1.410 -0.306) 1.657 6.547 ( 0.433 0.750 -1.542) 1.769 6.644 ( 0.608 1.053 0.039) 1.217 6.660 ( -0.238 -0.412 -0.200) 0.516 8.992 ( 1.147 1.987 -0.044) 2.295 9.033 ( -0.841 -1.456 -1.137) 2.030 10.673 ( -0.057 -0.099 2.019) 2.022 10.705 ( 0.310 0.538 1.043) 1.214 10.718 ( -0.271 -0.469 0.690) 0.877 10.745 ( 0.019 0.033 0.097) 0.104 10.858 ( 0.262 0.453 -0.225) 0.570 10.870 ( -0.304 -0.527 -0.510) 0.794 ======================= Grid point 165 (25/32) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( 0.000 -0.000 17.801) 17.801 1.201 ( 0.000 0.000 17.801) 17.801 1.599 ( 0.000 0.000 -19.652) 19.652 1.599 ( 0.000 0.000 -19.652) 19.652 2.233 ( -0.000 0.000 6.152) 6.152 2.233 ( 0.000 -0.000 6.152) 6.152 2.315 ( -0.000 0.000 16.947) 16.947 2.439 ( 0.000 0.000 -11.774) 11.774 2.439 ( 0.000 -0.000 -11.774) 11.774 2.446 ( 0.000 -0.000 2.320) 2.320 2.945 ( 0.000 0.000 8.395) 8.395 2.945 ( 0.000 -0.000 8.395) 8.395 3.079 ( 0.000 -0.000 -3.911) 3.911 3.079 ( -0.000 0.000 -3.911) 3.911 3.293 ( 0.000 0.000 3.480) 3.480 3.371 ( 0.000 0.000 5.871) 5.871 3.371 ( -0.000 -0.000 5.871) 5.871 3.415 ( 0.000 0.000 7.491) 7.491 3.440 ( -0.000 0.000 -8.419) 8.419 3.552 ( 0.000 0.000 -10.582) 10.582 3.552 ( -0.000 0.000 -10.582) 10.582 3.567 ( 0.000 0.000 -6.422) 6.422 3.780 ( -0.000 0.000 -2.739) 2.739 3.791 ( -0.000 0.000 -3.347) 3.347 3.892 ( 0.000 -0.000 2.479) 2.479 3.957 ( 0.000 0.000 -3.401) 3.401 4.209 ( -0.000 0.000 6.417) 6.417 4.209 ( -0.000 -0.000 6.417) 6.417 4.348 ( 0.000 -0.000 -6.408) 6.408 4.348 ( -0.000 0.000 -6.408) 6.408 4.510 ( 0.000 0.000 9.232) 9.232 4.714 ( -0.000 0.000 6.356) 6.356 4.714 ( 0.000 0.000 6.356) 6.356 4.773 ( 0.000 0.000 -15.284) 15.284 4.799 ( 0.000 0.000 -1.541) 1.541 4.799 ( -0.000 -0.000 -1.541) 1.541 5.171 ( 0.000 0.000 2.070) 2.070 5.171 ( -0.000 -0.000 2.070) 2.070 5.182 ( 0.000 0.000 0.918) 0.918 5.182 ( -0.000 0.000 0.918) 0.918 5.544 ( 0.000 0.000 2.733) 2.733 5.564 ( -0.000 0.000 0.131) 0.131 5.696 ( 0.000 0.000 2.614) 2.614 5.696 ( 0.000 0.000 2.614) 2.614 5.764 ( 0.000 0.000 -3.545) 3.545 5.764 ( 0.000 0.000 -3.545) 3.545 5.858 ( 0.000 -0.000 6.393) 6.393 5.858 ( 0.000 0.000 6.393) 6.393 5.957 ( 0.000 -0.000 -2.973) 2.973 5.957 ( 0.000 -0.000 -2.973) 2.973 6.359 ( 0.000 0.000 3.087) 3.087 6.411 ( 0.000 -0.000 1.882) 1.882 6.411 ( 0.000 0.000 1.882) 1.882 6.425 ( 0.000 0.000 -3.063) 3.063 6.459 ( -0.000 0.000 4.576) 4.576 6.475 ( -0.000 0.000 -4.008) 4.008 6.475 ( 0.000 0.000 -4.008) 4.008 6.513 ( 0.000 0.000 -0.141) 0.141 8.914 ( 0.000 -0.000 3.458) 3.458 8.995 ( 0.000 0.000 -4.078) 4.078 10.717 ( 0.000 0.000 1.309) 1.309 10.717 ( -0.000 0.000 1.309) 1.309 10.735 ( 0.000 -0.000 -0.425) 0.425 10.735 ( 0.000 -0.000 -0.425) 0.425 10.860 ( 0.000 -0.000 0.670) 0.670 10.879 ( -0.000 -0.000 -1.055) 1.055 ======================= Grid point 166 (26/32) ======================= q-point: ( 0.14 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( 6.485 3.744 16.561) 18.176 1.336 ( 11.074 6.394 14.954) 19.676 1.651 ( 4.613 2.663 -18.676) 19.421 1.689 ( 7.609 4.393 -17.945) 19.981 2.120 ( -6.155 -3.554 9.983) 12.255 2.200 ( -2.988 -1.725 6.278) 7.163 2.295 ( -7.177 -4.144 -3.975) 9.192 2.412 ( -2.555 -1.475 -12.227) 12.578 2.431 ( 6.020 3.476 8.984) 11.359 2.543 ( 3.060 1.767 -4.985) 6.110 2.858 ( -6.663 -3.847 6.417) 10.019 2.949 ( -8.777 -5.068 -2.016) 10.334 2.993 ( 3.012 1.739 5.735) 6.708 3.041 ( -1.056 -0.610 1.011) 1.584 3.296 ( -3.494 -2.018 5.842) 7.100 3.341 ( -1.970 -1.137 6.088) 6.499 3.373 ( 3.897 2.250 2.104) 4.967 3.475 ( 1.480 0.854 -7.659) 7.847 3.484 ( 0.120 0.069 -3.944) 3.947 3.516 ( -0.231 -0.133 -8.598) 8.602 3.626 ( 10.114 5.839 -0.871) 11.711 3.694 ( 9.892 5.711 -4.173) 12.160 3.839 ( 3.719 2.147 -2.737) 5.093 3.845 ( 4.293 2.478 -3.267) 5.937 3.943 ( 4.154 2.398 2.431) 5.377 4.002 ( 3.534 2.040 -2.911) 5.012 4.224 ( 1.496 0.864 5.555) 5.818 4.228 ( 1.564 0.903 5.671) 5.951 4.351 ( -0.028 -0.016 -5.068) 5.068 4.355 ( 0.666 0.385 -6.262) 6.309 4.468 ( -3.016 -1.742 7.949) 8.678 4.654 ( -3.736 -2.157 -3.035) 5.274 4.720 ( 0.430 0.248 6.163) 6.183 4.803 ( 0.326 0.188 -1.584) 1.628 4.828 ( 3.269 1.887 -5.521) 6.688 4.840 ( 3.081 1.779 -1.912) 4.040 5.142 ( -2.667 -1.540 2.307) 3.848 5.158 ( -2.107 -1.216 0.721) 2.538 5.168 ( -0.333 -0.192 2.221) 2.254 5.183 ( -0.006 -0.004 0.883) 0.883 5.519 ( -2.946 -1.701 2.601) 4.282 5.529 ( -2.726 -1.574 1.252) 3.387 5.614 ( -7.715 -4.454 3.976) 9.755 5.662 ( -3.009 -1.737 2.949) 4.558 5.698 ( -5.607 -3.237 -2.995) 7.134 5.727 ( -3.030 -1.750 -2.118) 4.090 5.842 ( -1.052 -0.607 3.698) 3.893 5.864 ( 0.580 0.335 3.032) 3.105 5.919 ( -2.689 -1.553 -2.942) 4.278 5.939 ( -1.335 -0.771 -3.085) 3.449 6.368 ( -0.387 -0.223 2.061) 2.109 6.393 ( -1.253 -0.724 2.441) 2.837 6.399 ( 1.488 0.859 0.169) 1.727 6.438 ( -0.787 -0.454 1.416) 1.682 6.485 ( 2.972 1.716 -0.611) 3.486 6.492 ( 0.342 0.197 -0.752) 0.850 6.521 ( 4.054 2.341 -3.030) 5.577 6.522 ( 0.465 0.268 -0.253) 0.593 8.927 ( 1.087 0.628 3.128) 3.370 9.000 ( 0.399 0.231 -3.701) 3.730 10.717 ( -0.022 -0.013 1.362) 1.363 10.717 ( 0.036 0.021 1.252) 1.253 10.735 ( -0.065 -0.038 -0.385) 0.392 10.736 ( 0.072 0.041 -0.474) 0.482 10.858 ( -0.161 -0.093 0.662) 0.688 10.876 ( -0.251 -0.145 -1.005) 1.046 ======================= Grid point 167 (27/32) ======================= q-point: ( 0.29 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( 9.794 5.655 13.793) 17.837 1.598 ( 11.714 6.763 11.154) 17.532 1.778 ( 6.517 3.762 -15.346) 17.091 1.877 ( 8.555 4.939 -13.843) 17.007 2.006 ( -4.212 -2.432 8.357) 9.669 2.112 ( -4.830 -2.789 5.680) 7.961 2.155 ( -5.169 -2.985 -4.939) 7.748 2.329 ( -5.111 -2.951 -13.134) 14.399 2.514 ( 0.992 0.573 1.926) 2.241 2.569 ( -0.553 -0.319 -5.020) 5.060 2.715 ( -5.752 -3.321 4.416) 7.976 2.770 ( -7.267 -4.195 -0.801) 8.429 2.999 ( 0.446 0.258 6.555) 6.575 3.097 ( 1.683 0.971 -1.804) 2.651 3.274 ( 3.751 2.166 9.315) 10.273 3.306 ( -1.195 -0.690 5.809) 5.971 3.403 ( 0.052 0.030 -2.412) 2.413 3.458 ( -1.381 -0.797 -7.907) 8.066 3.537 ( 4.531 2.616 -0.829) 5.297 3.593 ( 5.455 3.149 -4.894) 7.977 3.882 ( 11.292 6.519 2.448) 13.266 3.907 ( 2.233 1.289 -1.668) 3.071 3.921 ( 9.709 5.605 -0.730) 11.235 3.923 ( 2.357 1.361 -3.179) 4.185 4.040 ( 4.607 2.660 2.810) 6.016 4.094 ( 5.349 3.088 -2.195) 6.555 4.264 ( 1.357 0.784 3.856) 4.163 4.276 ( 3.178 1.835 3.378) 4.988 4.331 ( -1.693 -0.977 1.828) 2.676 4.382 ( 1.937 1.119 -5.775) 6.194 4.423 ( -0.671 -0.387 1.530) 1.715 4.573 ( -3.748 -2.164 -6.156) 7.525 4.725 ( -0.188 -0.109 5.509) 5.513 4.809 ( -0.175 -0.101 -2.297) 2.306 4.898 ( 3.117 1.800 -2.445) 4.351 4.905 ( 2.741 1.583 -1.795) 3.639 5.063 ( -4.203 -2.427 3.587) 6.035 5.100 ( -2.978 -1.719 0.351) 3.456 5.151 ( -1.426 -0.824 2.920) 3.353 5.174 ( -0.998 -0.576 0.936) 1.484 5.402 ( -6.071 -3.505 5.277) 8.774 5.412 ( -9.578 -5.530 5.271) 12.252 5.478 ( -2.614 -1.509 -0.623) 3.082 5.533 ( -9.122 -5.267 -5.405) 11.839 5.598 ( -2.538 -1.466 1.505) 3.295 5.643 ( -4.283 -2.473 -2.413) 5.503 5.821 ( -0.750 -0.433 2.731) 2.865 5.874 ( -1.450 -0.837 -1.781) 2.444 5.880 ( 0.754 0.435 0.830) 1.203 5.916 ( -0.604 -0.349 -2.210) 2.318 6.364 ( 0.074 0.043 2.503) 2.504 6.372 ( -0.621 -0.358 3.184) 3.264 6.423 ( 0.611 0.353 -2.798) 2.885 6.434 ( 0.334 0.193 0.085) 0.395 6.482 ( -1.085 -0.626 0.800) 1.486 6.522 ( -0.490 -0.283 -0.408) 0.697 6.562 ( 3.681 2.125 1.423) 4.482 6.603 ( 3.092 1.785 -2.153) 4.169 8.956 ( 1.471 0.849 2.253) 2.822 9.009 ( 0.374 0.216 -2.725) 2.759 10.716 ( -0.022 -0.013 1.473) 1.473 10.718 ( 0.053 0.030 1.087) 1.089 10.733 ( -0.124 -0.072 -0.258) 0.295 10.738 ( 0.083 0.048 -0.576) 0.584 10.855 ( -0.094 -0.054 0.529) 0.540 10.870 ( -0.329 -0.190 -0.832) 0.914 ======================= Grid point 168 (28/32) ======================= q-point: ( 0.43 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.667 ( 8.957 5.171 10.282) 14.583 1.792 ( 5.612 3.240 9.471) 11.476 1.852 ( -2.493 -1.440 1.199) 3.119 1.930 ( -2.093 -1.209 5.632) 6.129 1.992 ( 0.550 0.318 -1.370) 1.510 2.061 ( 2.972 1.716 -7.667) 8.400 2.122 ( 2.074 1.198 -15.365) 15.550 2.197 ( -6.850 -3.955 -12.967) 15.189 2.496 ( -1.334 -0.770 -0.942) 1.805 2.530 ( -2.102 -1.213 -3.915) 4.606 2.633 ( -1.723 -0.995 2.619) 3.290 2.655 ( -3.094 -1.786 0.410) 3.596 3.017 ( 0.612 0.353 5.337) 5.384 3.100 ( -0.240 -0.138 -2.270) 2.287 3.290 ( -0.319 -0.184 5.305) 5.318 3.398 ( 4.571 2.639 4.575) 6.985 3.427 ( 1.384 0.799 1.167) 1.979 3.437 ( -0.491 -0.284 -8.302) 8.321 3.619 ( 2.814 1.625 2.919) 4.368 3.696 ( 2.875 1.660 -3.692) 4.966 3.924 ( -0.511 -0.295 -0.516) 0.783 3.950 ( 0.659 0.380 -2.431) 2.547 4.018 ( 1.597 0.922 3.526) 3.979 4.051 ( 2.931 1.692 0.126) 3.387 4.157 ( 3.967 2.290 3.661) 5.864 4.226 ( 5.056 2.919 -2.581) 6.383 4.273 ( -0.037 -0.022 4.618) 4.618 4.306 ( -0.717 -0.414 4.436) 4.512 4.369 ( 5.587 3.225 1.670) 6.663 4.424 ( 1.095 0.632 -3.102) 3.350 4.434 ( 1.630 0.941 -3.026) 3.563 4.493 ( -3.522 -2.033 -5.673) 6.980 4.702 ( -1.806 -1.043 3.376) 3.968 4.764 ( -3.575 -2.064 -2.099) 4.631 4.948 ( 1.194 0.689 -1.561) 2.083 4.955 ( 1.632 0.942 -2.307) 2.979 5.008 ( 0.063 0.037 4.345) 4.345 5.045 ( -2.037 -1.176 1.213) 2.646 5.108 ( -1.940 -1.120 5.886) 6.298 5.142 ( -1.378 -0.795 1.971) 2.533 5.259 ( -3.737 -2.158 3.055) 5.287 5.327 ( -0.681 -0.393 1.838) 1.999 5.356 ( -5.754 -3.322 -5.343) 8.526 5.413 ( -2.811 -1.623 -4.144) 5.264 5.561 ( -0.594 -0.343 0.820) 1.070 5.575 ( -1.840 -1.063 -0.397) 2.162 5.811 ( -0.211 -0.122 2.306) 2.319 5.853 ( -0.496 -0.286 -1.134) 1.270 5.895 ( 0.593 0.342 0.039) 0.686 5.909 ( -0.271 -0.157 -1.222) 1.261 6.366 ( -0.042 -0.024 3.387) 3.387 6.367 ( 0.096 0.055 2.584) 2.587 6.430 ( 0.156 0.090 -3.415) 3.420 6.445 ( 0.376 0.217 -3.268) 3.297 6.459 ( -0.581 -0.336 3.899) 3.956 6.506 ( -0.710 -0.410 0.015) 0.820 6.623 ( 1.659 0.958 0.989) 2.156 6.646 ( 0.884 0.510 -1.132) 1.525 8.982 ( 0.801 0.463 1.252) 1.557 9.014 ( 0.013 0.008 -1.640) 1.640 10.716 ( -0.008 -0.005 1.555) 1.555 10.719 ( 0.029 0.017 0.912) 0.913 10.730 ( -0.072 -0.042 -0.122) 0.148 10.739 ( 0.035 0.020 -0.650) 0.651 10.854 ( 0.017 0.010 0.287) 0.288 10.864 ( -0.178 -0.103 -0.590) 0.625 ======================= Grid point 173 (29/32) ======================= q-point: ( 0.14 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( 6.190 10.722 14.202) 18.841 1.507 ( 6.131 10.619 11.645) 16.910 1.762 ( 4.977 8.620 -16.537) 19.302 1.812 ( 4.620 8.002 -14.951) 17.576 2.017 ( -3.510 -6.080 8.813) 11.267 2.140 ( -3.173 -5.497 2.060) 6.673 2.225 ( -1.256 -2.175 -1.353) 2.852 2.366 ( -1.536 -2.660 -8.471) 9.010 2.475 ( -0.466 -0.808 2.265) 2.449 2.547 ( -1.021 -1.768 -5.299) 5.678 2.762 ( -2.972 -5.148 2.342) 6.389 2.804 ( -4.922 -8.526 -1.163) 9.913 3.052 ( 1.580 2.737 5.575) 6.409 3.077 ( 2.805 4.858 3.673) 6.705 3.254 ( -1.454 -2.518 5.403) 6.136 3.278 ( -1.049 -1.817 5.437) 5.827 3.396 ( -1.008 -1.746 -2.359) 3.103 3.452 ( -0.530 -0.919 -6.460) 6.546 3.520 ( 2.649 4.588 -1.046) 5.400 3.589 ( 3.455 5.985 -5.907) 9.091 3.807 ( 5.394 9.343 0.230) 10.790 3.834 ( 3.512 6.084 -2.746) 7.542 3.915 ( 4.018 6.960 -1.304) 8.141 3.915 ( 4.086 7.077 -0.624) 8.195 4.027 ( 3.319 5.749 1.365) 6.777 4.060 ( 2.094 3.627 -1.442) 4.429 4.247 ( 0.764 1.323 3.757) 4.056 4.262 ( 1.384 2.397 3.803) 4.704 4.348 ( -0.213 -0.369 0.228) 0.483 4.369 ( 0.740 1.283 -5.884) 6.068 4.429 ( -0.847 -1.468 3.387) 3.788 4.593 ( -2.179 -3.775 -5.442) 6.972 4.730 ( 0.307 0.531 5.315) 5.351 4.801 ( -0.212 -0.366 -1.494) 1.553 4.879 ( 1.534 2.657 -3.675) 4.787 4.886 ( 1.475 2.555 -1.484) 3.303 5.090 ( -2.075 -3.594 2.974) 5.106 5.117 ( -1.599 -2.770 0.545) 3.245 5.160 ( -0.440 -0.763 2.568) 2.715 5.181 ( -0.186 -0.322 0.885) 0.960 5.419 ( -5.043 -8.736 5.396) 11.439 5.474 ( -2.429 -4.207 2.623) 5.521 5.528 ( -3.071 -5.318 1.029) 6.227 5.549 ( -4.617 -7.997 -0.576) 9.252 5.624 ( -2.514 -4.354 -0.751) 5.084 5.668 ( -2.378 -4.119 -2.575) 5.409 5.838 ( -0.447 -0.775 1.695) 1.917 5.853 ( -0.320 -0.554 1.372) 1.514 5.897 ( -0.604 -1.047 -1.494) 1.921 5.914 ( -0.464 -0.804 -2.156) 2.348 6.339 ( -1.102 -1.908 2.026) 2.993 6.382 ( -0.271 -0.469 -0.800) 0.966 6.430 ( 0.385 0.666 1.252) 1.470 6.451 ( 1.272 2.203 0.069) 2.544 6.471 ( -0.480 -0.832 2.986) 3.136 6.523 ( -0.133 -0.230 -0.733) 0.780 6.554 ( 1.898 3.288 -0.570) 3.839 6.576 ( 2.066 3.578 -2.042) 4.608 8.948 ( 0.859 1.488 2.519) 3.050 9.007 ( 0.252 0.437 -3.019) 3.061 10.716 ( -0.029 -0.049 1.450) 1.451 10.718 ( 0.048 0.084 1.125) 1.129 10.733 ( -0.066 -0.114 -0.287) 0.315 10.737 ( 0.044 0.077 -0.552) 0.560 10.856 ( -0.072 -0.126 0.579) 0.597 10.872 ( -0.193 -0.335 -0.888) 0.968 ======================= Grid point 174 (30/32) ======================= q-point: ( 0.29 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.627 ( 5.600 11.484 10.625) 16.617 1.702 ( 8.497 4.797 8.774) 13.123 1.894 ( -0.689 1.235 -1.977) 2.431 1.926 ( 0.949 2.129 -4.572) 5.132 1.967 ( 2.470 2.789 -4.062) 5.512 2.051 ( 0.930 -1.945 -3.842) 4.406 2.184 ( -5.698 4.683 -3.450) 8.142 2.303 ( -4.539 -0.734 -9.247) 10.327 2.430 ( 1.173 -6.803 1.177) 7.003 2.489 ( -0.773 -6.864 -4.678) 8.343 2.657 ( -3.651 -5.659 0.224) 6.738 2.683 ( -2.015 -3.880 -2.117) 4.858 3.073 ( -3.290 5.552 5.285) 8.342 3.131 ( -1.373 1.859 -0.444) 2.354 3.251 ( 1.625 -1.201 4.892) 5.293 3.309 ( 5.885 -1.507 2.264) 6.483 3.376 ( 1.577 -0.215 1.251) 2.024 3.454 ( 1.616 -0.574 -4.617) 4.925 3.618 ( 2.150 5.956 3.180) 7.086 3.702 ( 2.080 7.224 -4.533) 8.778 3.878 ( 2.186 -1.555 -1.552) 3.100 3.895 ( 3.172 -1.311 -2.651) 4.337 4.055 ( 0.326 6.939 3.668) 7.856 4.094 ( -0.111 6.996 0.521) 7.017 4.117 ( 5.319 6.216 2.303) 8.499 4.170 ( 6.937 5.608 -1.628) 9.068 4.251 ( 0.790 -1.543 4.263) 4.602 4.302 ( 0.923 0.965 1.954) 2.367 4.360 ( 0.626 3.506 3.814) 5.218 4.411 ( 2.316 1.856 -3.364) 4.486 4.430 ( 0.783 1.958 -2.996) 3.664 4.525 ( -2.424 -2.440 -5.798) 6.741 4.723 ( -1.740 -0.396 3.696) 4.104 4.784 ( -0.852 -2.439 -2.349) 3.492 4.894 ( -0.038 -3.873 -0.834) 3.962 4.910 ( 1.296 -1.429 -2.923) 3.502 5.046 ( -0.992 1.608 4.395) 4.784 5.078 ( -0.928 -0.342 2.800) 2.970 5.136 ( -1.807 -0.554 2.684) 3.283 5.161 ( -1.862 -0.781 1.626) 2.592 5.272 ( -3.090 -5.954 4.133) 7.879 5.357 ( -4.380 -4.127 2.530) 6.528 5.405 ( -5.332 -5.859 -4.803) 9.264 5.425 ( -2.915 -5.154 -2.334) 6.365 5.568 ( -0.950 -1.517 0.977) 2.039 5.594 ( -2.346 -2.288 -1.619) 3.655 5.817 ( -0.849 -0.321 1.545) 1.792 5.845 ( 0.162 -1.584 -0.634) 1.714 5.888 ( 0.228 -0.147 0.436) 0.513 5.911 ( 0.009 0.193 -1.539) 1.551 6.314 ( 0.355 -2.175 2.322) 3.201 6.372 ( 1.005 -2.837 -2.937) 4.205 6.439 ( -1.527 2.920 1.569) 3.650 6.456 ( -0.129 0.234 4.186) 4.194 6.484 ( 0.220 1.124 -1.163) 1.632 6.511 ( -0.685 -0.735 -0.669) 1.207 6.612 ( 1.687 2.591 0.622) 3.154 6.633 ( 1.594 1.475 -1.253) 2.507 8.976 ( 0.915 1.216 1.517) 2.149 9.013 ( 0.089 0.112 -1.923) 1.929 10.715 ( -0.004 -0.081 1.553) 1.555 10.720 ( 0.030 0.154 0.899) 0.913 10.731 ( -0.093 -0.129 -0.107) 0.192 10.739 ( 0.050 0.024 -0.642) 0.645 10.855 ( -0.001 0.021 0.345) 0.346 10.865 ( -0.205 -0.275 -0.648) 0.733 ======================= Grid point 175 (31/32) ======================= q-point: ( 0.43 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.758 ( -1.093 1.893 8.394) 8.673 1.832 ( -0.475 0.822 6.188) 6.260 1.835 ( 0.110 -0.191 5.820) 5.824 1.936 ( -2.641 4.574 1.933) 5.624 1.961 ( 0.382 -0.661 1.463) 1.651 2.127 ( -0.327 0.567 -11.533) 11.551 2.171 ( -2.132 3.693 -13.537) 14.193 2.231 ( -4.222 7.313 -8.858) 12.238 2.407 ( 3.768 -6.526 -0.344) 7.543 2.429 ( 3.479 -6.026 -2.089) 7.265 2.602 ( 1.864 -3.228 1.040) 3.870 2.647 ( 1.191 -2.063 -2.738) 3.629 3.070 ( -2.550 4.417 3.989) 6.475 3.122 ( -1.064 1.842 -1.237) 2.461 3.257 ( 0.393 -0.680 3.946) 4.023 3.334 ( 2.366 -4.098 -2.500) 5.352 3.429 ( 0.953 -1.651 3.722) 4.182 3.469 ( 1.081 -1.872 -1.916) 2.888 3.670 ( -2.402 4.161 3.997) 6.250 3.756 ( -2.603 4.509 -4.266) 6.731 3.887 ( 1.559 -2.700 -0.315) 3.134 3.921 ( 1.208 -2.092 -2.613) 3.559 4.075 ( -2.193 3.799 3.578) 5.661 4.114 ( -1.581 2.739 -0.592) 3.217 4.186 ( -0.498 0.862 5.070) 5.167 4.238 ( 0.321 -0.556 2.770) 2.844 4.292 ( 0.520 -0.901 3.976) 4.110 4.308 ( -1.749 3.030 -0.532) 3.539 4.420 ( -0.651 1.128 -0.857) 1.559 4.442 ( -0.692 1.198 -1.565) 2.089 4.463 ( -0.722 1.251 -1.977) 2.448 4.488 ( -0.875 1.516 -3.632) 4.032 4.686 ( -0.132 0.228 2.104) 2.120 4.740 ( 0.019 -0.033 -2.524) 2.524 4.872 ( 3.448 -5.972 0.192) 6.898 4.910 ( 1.892 -3.278 -3.185) 4.947 5.052 ( -0.383 0.664 5.666) 5.717 5.093 ( -2.468 4.275 1.680) 5.215 5.094 ( -0.077 0.134 6.380) 6.381 5.133 ( -0.026 0.045 2.102) 2.102 5.224 ( 0.489 -0.847 0.277) 1.017 5.302 ( 1.122 -1.943 -5.172) 5.638 5.326 ( 0.226 -0.392 0.410) 0.611 5.365 ( 1.765 -3.058 -3.327) 4.851 5.558 ( 0.234 -0.404 0.346) 0.581 5.561 ( 0.038 -0.066 -0.278) 0.289 5.809 ( 0.067 -0.115 1.347) 1.354 5.837 ( 0.702 -1.215 -0.877) 1.655 5.891 ( 0.331 -0.573 0.724) 0.981 5.913 ( -0.267 0.462 -1.292) 1.398 6.307 ( 1.176 -2.037 2.402) 3.362 6.365 ( 2.173 -3.765 -2.823) 5.183 6.439 ( -1.923 3.330 2.076) 4.370 6.460 ( -0.190 0.329 3.432) 3.453 6.492 ( -1.056 1.828 -2.495) 3.268 6.496 ( 0.330 -0.571 0.453) 0.800 6.642 ( -0.513 0.888 0.321) 1.074 6.651 ( -0.055 0.095 -0.486) 0.498 8.992 ( -0.273 0.473 0.800) 0.969 9.013 ( 0.050 -0.087 -1.164) 1.168 10.715 ( 0.045 -0.077 1.595) 1.597 10.721 ( -0.094 0.162 0.765) 0.788 10.729 ( 0.047 -0.082 0.004) 0.095 10.739 ( 0.014 -0.024 -0.680) 0.680 10.855 ( -0.037 0.064 0.153) 0.170 10.862 ( 0.068 -0.117 -0.460) 0.480 ======================= Grid point 182 (32/32) ======================= q-point: ( 0.29 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.764 ( 1.761 3.049 8.622) 9.313 1.819 ( 2.249 3.895 2.823) 5.311 1.839 ( -1.237 -2.143 3.633) 4.396 1.969 ( 2.934 5.082 5.365) 7.951 2.049 ( 1.451 2.512 -9.165) 9.614 2.102 ( 1.320 2.286 -4.022) 4.810 2.222 ( -1.238 -2.145 -1.595) 2.946 2.270 ( 0.511 0.886 -7.226) 7.298 2.355 ( -3.698 -6.405 -2.400) 7.776 2.402 ( 1.716 2.972 -5.777) 6.719 2.555 ( -2.094 -3.626 -1.499) 4.447 2.585 ( -3.247 -5.624 -4.144) 7.703 3.132 ( -0.042 -0.072 1.093) 1.096 3.132 ( -0.007 -0.011 1.573) 1.573 3.290 ( 1.286 2.228 1.971) 3.241 3.293 ( 0.916 1.586 1.002) 2.088 3.378 ( -0.183 -0.317 2.954) 2.976 3.426 ( -0.998 -1.728 -2.122) 2.913 3.735 ( 3.008 5.209 5.116) 7.897 3.806 ( 1.589 2.752 -2.828) 4.254 3.847 ( -1.091 -1.890 -1.435) 2.612 3.896 ( 0.844 1.461 -4.559) 4.862 4.119 ( 0.299 0.518 1.993) 2.081 4.132 ( 0.056 0.097 0.943) 0.949 4.199 ( 1.478 2.560 6.847) 7.458 4.252 ( 0.185 0.321 5.192) 5.206 4.260 ( 0.059 0.102 1.668) 1.673 4.348 ( 2.604 4.510 -3.044) 6.032 4.423 ( 1.925 3.333 1.942) 4.311 4.454 ( 0.827 1.432 -1.227) 2.059 4.483 ( 1.207 2.091 -2.627) 3.569 4.494 ( -0.340 -0.588 -3.079) 3.153 4.718 ( 0.095 0.165 1.276) 1.290 4.742 ( -0.594 -1.030 -3.308) 3.515 4.796 ( -2.853 -4.942 0.475) 5.726 4.871 ( -1.017 -1.762 -4.751) 5.168 5.048 ( -1.108 -1.919 9.788) 10.036 5.094 ( 1.386 2.400 4.771) 5.518 5.132 ( -0.439 -0.760 1.872) 2.068 5.153 ( -0.162 -0.281 2.627) 2.647 5.220 ( 0.141 0.245 -0.139) 0.315 5.281 ( -1.347 -2.332 -5.461) 6.089 5.324 ( -2.148 -3.720 -0.427) 4.316 5.326 ( -1.972 -3.416 -2.675) 4.766 5.552 ( -0.077 -0.133 0.276) 0.316 5.563 ( -0.642 -1.112 -0.736) 1.480 5.810 ( -0.136 -0.236 0.158) 0.314 5.820 ( -0.526 -0.911 -0.623) 1.223 5.885 ( -0.035 -0.060 1.614) 1.615 5.918 ( 0.151 0.261 -1.519) 1.549 6.293 ( -0.035 -0.061 1.172) 1.175 6.321 ( -1.197 -2.073 -1.409) 2.778 6.463 ( 0.449 0.777 2.927) 3.061 6.478 ( 0.520 0.901 0.922) 1.390 6.485 ( -0.465 -0.805 1.011) 1.373 6.509 ( 0.192 0.332 -1.846) 1.885 6.648 ( 0.692 1.199 0.254) 1.408 6.654 ( 0.314 0.544 -0.313) 0.702 8.997 ( 0.522 0.905 0.494) 1.156 9.011 ( -0.182 -0.315 -0.846) 0.921 10.714 ( -0.023 -0.040 1.640) 1.641 10.723 ( 0.106 0.183 0.577) 0.614 10.728 ( -0.098 -0.170 0.165) 0.256 10.739 ( 0.002 0.004 -0.703) 0.703 10.856 ( 0.076 0.132 0.046) 0.160 10.860 ( -0.132 -0.229 -0.356) 0.444 =================== 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 3/22638 10.0 422.670 422.670 290.464 -0.000 0.000 0.000 3/22638 20.0 55.524 55.524 48.607 -0.000 -0.000 0.000 3/22638 30.0 18.383 18.383 18.373 -0.000 -0.000 0.000 3/22638 40.0 9.175 9.175 9.794 -0.000 -0.000 0.000 3/22638 50.0 5.721 5.721 6.342 -0.000 -0.000 0.000 3/22638 60.0 4.068 4.068 4.619 -0.000 -0.000 0.000 3/22638 70.0 3.139 3.139 3.623 -0.000 -0.000 0.000 3/22638 80.0 2.555 2.555 2.984 -0.000 -0.000 0.000 3/22638 90.0 2.157 2.157 2.542 -0.000 -0.000 0.000 3/22638 100.0 1.869 1.869 2.218 -0.000 -0.000 0.000 3/22638 110.0 1.652 1.652 1.971 -0.000 -0.000 0.000 3/22638 120.0 1.481 1.481 1.775 -0.000 -0.000 0.000 3/22638 130.0 1.344 1.344 1.616 -0.000 -0.000 0.000 3/22638 140.0 1.231 1.231 1.484 -0.000 -0.000 0.000 3/22638 150.0 1.136 1.136 1.373 -0.000 -0.000 0.000 3/22638 160.0 1.055 1.055 1.278 -0.000 -0.000 0.000 3/22638 170.0 0.986 0.986 1.196 -0.000 -0.000 0.000 3/22638 180.0 0.925 0.925 1.124 -0.000 -0.000 0.000 3/22638 190.0 0.871 0.871 1.060 -0.000 -0.000 0.000 3/22638 200.0 0.824 0.824 1.003 -0.000 -0.000 0.000 3/22638 210.0 0.782 0.782 0.953 -0.000 -0.000 0.000 3/22638 220.0 0.743 0.743 0.907 -0.000 -0.000 0.000 3/22638 230.0 0.709 0.709 0.865 -0.000 -0.000 0.000 3/22638 240.0 0.678 0.678 0.828 -0.000 -0.000 0.000 3/22638 250.0 0.649 0.649 0.793 -0.000 -0.000 0.000 3/22638 260.0 0.623 0.623 0.761 -0.000 -0.000 0.000 3/22638 270.0 0.598 0.598 0.732 -0.000 -0.000 0.000 3/22638 280.0 0.576 0.576 0.705 -0.000 -0.000 0.000 3/22638 290.0 0.555 0.555 0.680 -0.000 -0.000 0.000 3/22638 300.0 0.536 0.536 0.657 -0.000 -0.000 0.000 3/22638 310.0 0.518 0.518 0.635 -0.000 -0.000 0.000 3/22638 320.0 0.501 0.501 0.615 -0.000 -0.000 0.000 3/22638 330.0 0.486 0.486 0.595 -0.000 -0.000 0.000 3/22638 340.0 0.471 0.471 0.578 -0.000 -0.000 0.000 3/22638 350.0 0.457 0.457 0.561 -0.000 -0.000 0.000 3/22638 360.0 0.444 0.444 0.545 -0.000 -0.000 0.000 3/22638 370.0 0.432 0.432 0.530 -0.000 -0.000 0.000 3/22638 380.0 0.420 0.420 0.516 -0.000 -0.000 0.000 3/22638 390.0 0.409 0.409 0.502 -0.000 -0.000 0.000 3/22638 400.0 0.399 0.399 0.489 -0.000 -0.000 0.000 3/22638 410.0 0.389 0.389 0.477 -0.000 -0.000 0.000 3/22638 420.0 0.379 0.379 0.466 -0.000 -0.000 0.000 3/22638 430.0 0.370 0.370 0.455 -0.000 -0.000 0.000 3/22638 440.0 0.362 0.362 0.444 -0.000 -0.000 0.000 3/22638 450.0 0.354 0.354 0.434 -0.000 -0.000 0.000 3/22638 460.0 0.346 0.346 0.425 -0.000 -0.000 0.000 3/22638 470.0 0.338 0.338 0.416 -0.000 -0.000 0.000 3/22638 480.0 0.331 0.331 0.407 -0.000 -0.000 0.000 3/22638 490.0 0.324 0.324 0.398 -0.000 -0.000 0.000 3/22638 500.0 0.318 0.318 0.390 -0.000 -0.000 0.000 3/22638 510.0 0.311 0.311 0.383 -0.000 -0.000 0.000 3/22638 520.0 0.305 0.305 0.375 -0.000 -0.000 0.000 3/22638 530.0 0.299 0.299 0.368 -0.000 -0.000 0.000 3/22638 540.0 0.294 0.294 0.361 -0.000 -0.000 0.000 3/22638 550.0 0.288 0.288 0.355 -0.000 -0.000 0.000 3/22638 560.0 0.283 0.283 0.348 -0.000 -0.000 0.000 3/22638 570.0 0.278 0.278 0.342 -0.000 -0.000 0.000 3/22638 580.0 0.273 0.273 0.336 -0.000 -0.000 0.000 3/22638 590.0 0.269 0.269 0.330 -0.000 -0.000 0.000 3/22638 600.0 0.264 0.264 0.325 -0.000 -0.000 0.000 3/22638 610.0 0.260 0.260 0.319 -0.000 -0.000 0.000 3/22638 620.0 0.256 0.256 0.314 -0.000 -0.000 0.000 3/22638 630.0 0.251 0.251 0.309 -0.000 -0.000 0.000 3/22638 640.0 0.248 0.248 0.304 -0.000 -0.000 0.000 3/22638 650.0 0.244 0.244 0.300 -0.000 -0.000 0.000 3/22638 660.0 0.240 0.240 0.295 -0.000 -0.000 0.000 3/22638 670.0 0.236 0.236 0.291 -0.000 -0.000 0.000 3/22638 680.0 0.233 0.233 0.286 -0.000 -0.000 0.000 3/22638 690.0 0.229 0.229 0.282 -0.000 -0.000 0.000 3/22638 700.0 0.226 0.226 0.278 -0.000 -0.000 0.000 3/22638 710.0 0.223 0.223 0.274 -0.000 -0.000 0.000 3/22638 720.0 0.220 0.220 0.270 -0.000 -0.000 0.000 3/22638 730.0 0.217 0.217 0.267 -0.000 -0.000 0.000 3/22638 740.0 0.214 0.214 0.263 -0.000 -0.000 0.000 3/22638 750.0 0.211 0.211 0.259 -0.000 -0.000 0.000 3/22638 760.0 0.208 0.208 0.256 -0.000 -0.000 0.000 3/22638 770.0 0.205 0.205 0.253 -0.000 -0.000 0.000 3/22638 780.0 0.203 0.203 0.249 -0.000 -0.000 0.000 3/22638 790.0 0.200 0.200 0.246 -0.000 -0.000 0.000 3/22638 800.0 0.198 0.198 0.243 -0.000 -0.000 0.000 3/22638 810.0 0.195 0.195 0.240 -0.000 -0.000 0.000 3/22638 820.0 0.193 0.193 0.237 -0.000 -0.000 0.000 3/22638 830.0 0.191 0.191 0.234 -0.000 -0.000 0.000 3/22638 840.0 0.188 0.188 0.232 -0.000 -0.000 0.000 3/22638 850.0 0.186 0.186 0.229 -0.000 -0.000 0.000 3/22638 860.0 0.184 0.184 0.226 -0.000 -0.000 0.000 3/22638 870.0 0.182 0.182 0.224 -0.000 -0.000 0.000 3/22638 880.0 0.180 0.180 0.221 -0.000 -0.000 0.000 3/22638 890.0 0.178 0.178 0.219 -0.000 -0.000 0.000 3/22638 900.0 0.176 0.176 0.216 -0.000 -0.000 0.000 3/22638 910.0 0.174 0.174 0.214 -0.000 -0.000 0.000 3/22638 920.0 0.172 0.172 0.211 -0.000 -0.000 0.000 3/22638 930.0 0.170 0.170 0.209 -0.000 -0.000 0.000 3/22638 940.0 0.168 0.168 0.207 -0.000 -0.000 0.000 3/22638 950.0 0.166 0.166 0.205 -0.000 -0.000 0.000 3/22638 960.0 0.165 0.165 0.203 -0.000 -0.000 0.000 3/22638 970.0 0.163 0.163 0.200 -0.000 -0.000 0.000 3/22638 980.0 0.161 0.161 0.198 -0.000 -0.000 0.000 3/22638 990.0 0.160 0.160 0.196 -0.000 -0.000 0.000 3/22638 1000.0 0.158 0.158 0.194 -0.000 -0.000 0.000 3/22638 Thermal conductivity related properties were written into "kappa-m777.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:41:34]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|