----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 04:51:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.598174680418447 0.000000000000000 0.000000000000000 b 0.000000000000000 7.410837510000000 0.000000000000000 c -6.329339604487767 0.000000000000000 9.244717872910382 Atomic positions (fractional): *1 P 0.62970047673456 0.61025586905730 0.06646788994385 30.974 2 P 0.62970047673456 0.88974413094270 0.56646788994385 30.974 3 P 0.37029952326544 0.38974413094270 0.93353211005615 30.974 4 P 0.37029952326544 0.11025586905730 0.43353211005615 30.974 *5 S 0.21752552511737 0.19471665832905 0.53856079165310 32.065 *6 S 0.59764720952105 0.19590396330344 0.94332307308075 32.065 7 S 0.59764720952105 0.30409603669656 0.44332307308074 32.065 8 S 0.78247447488263 0.69471665832905 0.96143920834690 32.065 *9 S 0.86944224014877 0.50388281221316 0.26475214614204 32.065 10 S 0.86944224014877 0.99611718778684 0.76475214614204 32.065 11 S 0.40235279047895 0.80409603669656 0.05667692691926 32.065 12 S 0.78247447488263 0.80528334167095 0.46143920834690 32.065 13 S 0.13055775985123 0.49611718778684 0.73524785385796 32.065 14 S 0.40235279047895 0.69590396330344 0.55667692691925 32.065 15 S 0.13055775985123 0.00388281221317 0.23524785385796 32.065 16 S 0.21752552511737 0.30528334167095 0.03856079165310 32.065 *17 Pb 0.71345926433416 0.11679540451512 0.25076537838721 207.200 18 Pb 0.28654073566584 0.61679540451512 0.24923462161279 207.200 19 Pb 0.28654073566584 0.88320459548488 0.74923462161279 207.200 20 Pb 0.71345926433416 0.38320459548488 0.75076537838721 207.200 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.598174680418447 0.000000000000000 0.000000000000000 b 0.000000000000000 7.410837510000000 0.000000000000000 c -6.329339604487767 0.000000000000000 9.244717872910382 Atomic positions (fractional): *1 P 0.62970047673456 0.61025586905730 0.06646788994385 30.974 > 1 2 P 0.62970047673456 0.88974413094270 0.56646788994385 30.974 > 2 3 P 0.37029952326544 0.38974413094270 0.93353211005615 30.974 > 3 4 P 0.37029952326544 0.11025586905730 0.43353211005615 30.974 > 4 *5 S 0.21752552511737 0.19471665832905 0.53856079165310 32.065 > 5 *6 S 0.59764720952105 0.19590396330344 0.94332307308075 32.065 > 6 7 S 0.59764720952105 0.30409603669656 0.44332307308074 32.065 > 7 8 S 0.78247447488263 0.69471665832905 0.96143920834690 32.065 > 8 *9 S 0.86944224014877 0.50388281221316 0.26475214614204 32.065 > 9 10 S 0.86944224014877 0.99611718778684 0.76475214614204 32.065 > 10 11 S 0.40235279047895 0.80409603669656 0.05667692691926 32.065 > 11 12 S 0.78247447488263 0.80528334167095 0.46143920834690 32.065 > 12 13 S 0.13055775985123 0.49611718778684 0.73524785385796 32.065 > 13 14 S 0.40235279047895 0.69590396330344 0.55667692691925 32.065 > 14 15 S 0.13055775985123 0.00388281221317 0.23524785385796 32.065 > 15 16 S 0.21752552511737 0.30528334167095 0.03856079165310 32.065 > 16 *17 Pb 0.71345926433416 0.11679540451512 0.25076537838721 207.200 > 17 18 Pb 0.28654073566584 0.61679540451512 0.24923462161279 207.200 > 18 19 Pb 0.28654073566584 0.88320459548488 0.74923462161279 207.200 > 19 20 Pb 0.71345926433416 0.38320459548488 0.75076537838721 207.200 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.196349360836894 0.000000000000000 0.000000000000000 b 0.000000000000000 14.821675020000001 0.000000000000000 c -6.329339604487767 0.000000000000000 9.244717872910382 Atomic positions (fractional): *1 P 0.31485023836728 0.30512793452865 0.06646788994385 30.974 > 1 2 P 0.81485023836728 0.30512793452865 0.06646788994385 30.974 > 1 3 P 0.31485023836728 0.80512793452865 0.06646788994385 30.974 > 1 4 P 0.81485023836728 0.80512793452865 0.06646788994385 30.974 > 1 5 P 0.31485023836728 0.44487206547135 0.56646788994385 30.974 > 2 6 P 0.81485023836728 0.44487206547135 0.56646788994385 30.974 > 2 7 P 0.31485023836728 0.94487206547135 0.56646788994385 30.974 > 2 8 P 0.81485023836728 0.94487206547135 0.56646788994385 30.974 > 2 9 P 0.18514976163272 0.19487206547135 0.93353211005615 30.974 > 3 10 P 0.68514976163272 0.19487206547135 0.93353211005615 30.974 > 3 11 P 0.18514976163272 0.69487206547135 0.93353211005615 30.974 > 3 12 P 0.68514976163272 0.69487206547135 0.93353211005615 30.974 > 3 13 P 0.18514976163272 0.05512793452865 0.43353211005615 30.974 > 4 14 P 0.68514976163272 0.05512793452865 0.43353211005615 30.974 > 4 15 P 0.18514976163272 0.55512793452865 0.43353211005615 30.974 > 4 16 P 0.68514976163272 0.55512793452865 0.43353211005615 30.974 > 4 *17 S 0.10876276255869 0.09735832916452 0.53856079165310 32.065 > 5 18 S 0.60876276255869 0.09735832916452 0.53856079165310 32.065 > 5 19 S 0.10876276255869 0.59735832916452 0.53856079165310 32.065 > 5 20 S 0.60876276255869 0.59735832916452 0.53856079165310 32.065 > 5 *21 S 0.29882360476053 0.09795198165172 0.94332307308075 32.065 > 6 22 S 0.79882360476053 0.09795198165172 0.94332307308075 32.065 > 6 23 S 0.29882360476053 0.59795198165172 0.94332307308075 32.065 > 6 24 S 0.79882360476053 0.59795198165172 0.94332307308075 32.065 > 6 25 S 0.29882360476053 0.15204801834828 0.44332307308074 32.065 > 7 26 S 0.79882360476053 0.15204801834828 0.44332307308074 32.065 > 7 27 S 0.29882360476053 0.65204801834828 0.44332307308074 32.065 > 7 28 S 0.79882360476053 0.65204801834828 0.44332307308074 32.065 > 7 29 S 0.39123723744131 0.34735832916452 0.96143920834690 32.065 > 8 30 S 0.89123723744131 0.34735832916452 0.96143920834690 32.065 > 8 31 S 0.39123723744131 0.84735832916452 0.96143920834690 32.065 > 8 32 S 0.89123723744131 0.84735832916452 0.96143920834690 32.065 > 8 *33 S 0.43472112007439 0.25194140610658 0.26475214614204 32.065 > 9 34 S 0.93472112007439 0.25194140610658 0.26475214614204 32.065 > 9 35 S 0.43472112007439 0.75194140610658 0.26475214614204 32.065 > 9 36 S 0.93472112007439 0.75194140610658 0.26475214614204 32.065 > 9 37 S 0.43472112007439 0.49805859389342 0.76475214614204 32.065 > 10 38 S 0.93472112007439 0.49805859389342 0.76475214614204 32.065 > 10 39 S 0.43472112007439 0.99805859389342 0.76475214614204 32.065 > 10 40 S 0.93472112007439 0.99805859389342 0.76475214614204 32.065 > 10 41 S 0.20117639523947 0.40204801834828 0.05667692691926 32.065 > 11 42 S 0.70117639523947 0.40204801834828 0.05667692691926 32.065 > 11 43 S 0.20117639523947 0.90204801834828 0.05667692691926 32.065 > 11 44 S 0.70117639523947 0.90204801834828 0.05667692691926 32.065 > 11 45 S 0.39123723744131 0.40264167083548 0.46143920834690 32.065 > 12 46 S 0.89123723744131 0.40264167083548 0.46143920834690 32.065 > 12 47 S 0.39123723744131 0.90264167083548 0.46143920834690 32.065 > 12 48 S 0.89123723744131 0.90264167083548 0.46143920834690 32.065 > 12 49 S 0.06527887992561 0.24805859389342 0.73524785385796 32.065 > 13 50 S 0.56527887992561 0.24805859389342 0.73524785385796 32.065 > 13 51 S 0.06527887992561 0.74805859389342 0.73524785385796 32.065 > 13 52 S 0.56527887992561 0.74805859389342 0.73524785385796 32.065 > 13 53 S 0.20117639523947 0.34795198165172 0.55667692691925 32.065 > 14 54 S 0.70117639523947 0.34795198165172 0.55667692691925 32.065 > 14 55 S 0.20117639523947 0.84795198165172 0.55667692691925 32.065 > 14 56 S 0.70117639523947 0.84795198165172 0.55667692691925 32.065 > 14 57 S 0.06527887992561 0.00194140610658 0.23524785385796 32.065 > 15 58 S 0.56527887992561 0.00194140610658 0.23524785385796 32.065 > 15 59 S 0.06527887992561 0.50194140610658 0.23524785385796 32.065 > 15 60 S 0.56527887992561 0.50194140610658 0.23524785385796 32.065 > 15 61 S 0.10876276255869 0.15264167083548 0.03856079165310 32.065 > 16 62 S 0.60876276255869 0.15264167083548 0.03856079165310 32.065 > 16 63 S 0.10876276255869 0.65264167083548 0.03856079165310 32.065 > 16 64 S 0.60876276255869 0.65264167083548 0.03856079165310 32.065 > 16 *65 Pb 0.35672963216708 0.05839770225756 0.25076537838721 207.200 > 17 66 Pb 0.85672963216708 0.05839770225756 0.25076537838721 207.200 > 17 67 Pb 0.35672963216708 0.55839770225756 0.25076537838721 207.200 > 17 68 Pb 0.85672963216708 0.55839770225756 0.25076537838721 207.200 > 17 69 Pb 0.14327036783292 0.30839770225756 0.24923462161279 207.200 > 18 70 Pb 0.64327036783292 0.30839770225756 0.24923462161279 207.200 > 18 71 Pb 0.14327036783292 0.80839770225756 0.24923462161279 207.200 > 18 72 Pb 0.64327036783292 0.80839770225756 0.24923462161279 207.200 > 18 73 Pb 0.14327036783292 0.44160229774244 0.74923462161279 207.200 > 19 74 Pb 0.64327036783292 0.44160229774244 0.74923462161279 207.200 > 19 75 Pb 0.14327036783292 0.94160229774244 0.74923462161279 207.200 > 19 76 Pb 0.64327036783292 0.94160229774244 0.74923462161279 207.200 > 19 77 Pb 0.35672963216708 0.19160229774244 0.75076537838721 207.200 > 20 78 Pb 0.85672963216708 0.19160229774244 0.75076537838721 207.200 > 20 79 Pb 0.35672963216708 0.69160229774244 0.75076537838721 207.200 > 20 80 Pb 0.85672963216708 0.69160229774244 0.75076537838721 207.200 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.4145067 0.0000000 -0.0012138 0.0000000 8.3296423 0.0000000 -0.0012102 0.0000000 8.9370044 -------------------------- Born effective charges -------------------------- 1 P 2.2132492 -0.5934111 0.1945798 -1.0803708 1.8150789 -0.8118743 -0.6323892 -0.3858317 2.0912727 2 P 2.2132492 0.5934111 0.1945798 1.0803708 1.8150789 0.8118743 -0.6323892 0.3858317 2.0912727 3 P 2.2132492 -0.5934111 0.1945798 -1.0803708 1.8150789 -0.8118743 -0.6323892 -0.3858317 2.0912727 4 P 2.2132492 0.5934111 0.1945798 1.0803708 1.8150789 0.8118743 -0.6323892 0.3858317 2.0912727 5 S -2.3503381 -0.3929137 -0.2092581 -0.3594272 -1.3074336 0.0239886 -0.0168131 -0.0973468 -2.5972330 6 S -1.8852081 0.1525442 0.7048152 0.6090020 -2.5839431 -0.1049981 0.8566879 -0.2021485 -1.9294358 7 S -1.8852081 -0.1525442 0.7048152 -0.6090020 -2.5839431 0.1049981 0.8566879 0.2021485 -1.9294358 8 S -2.3503381 0.3929137 -0.2092581 0.3594272 -1.3074336 -0.0239886 -0.0168131 0.0973468 -2.5972330 9 S -2.0493225 -0.4029994 -0.3962488 -0.5806472 -1.8434953 0.5646312 -0.2806422 0.4942357 -1.9136719 10 S -2.0493225 0.4029994 -0.3962488 0.5806472 -1.8434953 -0.5646312 -0.2806422 -0.4942357 -1.9136719 11 S -1.8852081 0.1525442 0.7048152 0.6090020 -2.5839431 -0.1049981 0.8566879 -0.2021485 -1.9294358 12 S -2.3503381 -0.3929137 -0.2092581 -0.3594272 -1.3074336 0.0239886 -0.0168131 -0.0973468 -2.5972330 13 S -2.0493225 -0.4029994 -0.3962488 -0.5806472 -1.8434953 0.5646312 -0.2806422 0.4942357 -1.9136719 14 S -1.8852081 -0.1525442 0.7048152 -0.6090020 -2.5839431 0.1049981 0.8566879 0.2021485 -1.9294358 15 S -2.0493225 0.4029994 -0.3962488 0.5806472 -1.8434953 -0.5646312 -0.2806422 -0.4942357 -1.9136719 16 S -2.3503381 0.3929137 -0.2092581 0.3594272 -1.3074336 -0.0239886 -0.0168131 0.0973468 -2.5972330 17 Pb 4.0716195 0.0102659 -0.2938881 -0.1498521 3.9197930 -0.2157432 0.0731566 -0.5603317 4.3490679 18 Pb 4.0716195 -0.0102659 -0.2938881 0.1498521 3.9197930 0.2157432 0.0731566 0.5603317 4.3490679 19 Pb 4.0716195 0.0102659 -0.2938881 -0.1498521 3.9197930 -0.2157432 0.0731566 -0.5603317 4.3490679 20 Pb 4.0716195 -0.0102659 -0.2938881 0.1498521 3.9197930 0.2157432 0.0731566 0.5603317 4.3490679 ---------------------------------------------------------------------------- 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: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1890 Number of blocks in projector: 1890 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 230 Use standard eigh solver. Tree of FC basis block matrices: - (1890, 1846), data: False |-- (230, 225), data: True |-- (230, 225), data: True |-- (230, 225), data: True |-- (400, 391), data: True |-- (400, 390), data: True |-- (400, 390), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 640 - Time: 2.209 Solver_block: 200 / 640 - Time: 2.207 Solver_block: 300 / 640 - Time: 2.199 Solver_block: 400 / 640 - Time: 2.207 Solver_block: 500 / 640 - Time: 2.209 Solver_block: 600 / 640 - Time: 2.206 Solver_block: 640 / 640 - Time: 0.944 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.230 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1890 Number of blocks in projector: 1890 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 230 Use standard eigh solver. Tree of FC basis block matrices: - (1890, 1846), data: False |-- (230, 225), data: True |-- (230, 225), data: True |-- (230, 225), data: True |-- (400, 391), data: True |-- (400, 390), data: True |-- (400, 390), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 04:51:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:51:53]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.598174680418447 0.000000000000000 0.000000000000000 b 0.000000000000000 7.410837510000000 0.000000000000000 c -6.329339604487767 0.000000000000000 9.244717872910382 Atomic positions (fractional): 1 P 0.62970047673456 0.61025586905730 0.06646788994385 30.974 2 P 0.62970047673456 0.88974413094270 0.56646788994385 30.974 3 P 0.37029952326544 0.38974413094270 0.93353211005615 30.974 4 P 0.37029952326544 0.11025586905730 0.43353211005615 30.974 5 S 0.21752552511737 0.19471665832905 0.53856079165310 32.065 6 S 0.59764720952105 0.19590396330344 0.94332307308075 32.065 7 S 0.59764720952105 0.30409603669656 0.44332307308074 32.065 8 S 0.78247447488263 0.69471665832905 0.96143920834690 32.065 9 S 0.86944224014877 0.50388281221316 0.26475214614204 32.065 10 S 0.86944224014877 0.99611718778684 0.76475214614204 32.065 11 S 0.40235279047895 0.80409603669656 0.05667692691926 32.065 12 S 0.78247447488263 0.80528334167095 0.46143920834690 32.065 13 S 0.13055775985123 0.49611718778684 0.73524785385796 32.065 14 S 0.40235279047895 0.69590396330344 0.55667692691925 32.065 15 S 0.13055775985123 0.00388281221317 0.23524785385796 32.065 16 S 0.21752552511737 0.30528334167095 0.03856079165310 32.065 17 Pb 0.71345926433416 0.11679540451512 0.25076537838721 207.200 18 Pb 0.28654073566584 0.61679540451512 0.24923462161279 207.200 19 Pb 0.28654073566584 0.88320459548488 0.74923462161279 207.200 20 Pb 0.71345926433416 0.38320459548488 0.75076537838721 207.200 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.196349360836894 0.000000000000000 0.000000000000000 b 0.000000000000000 14.821675020000001 0.000000000000000 c -6.329339604487767 0.000000000000000 9.244717872910382 Atomic positions (fractional): 1 P 0.31485023836728 0.30512793452865 0.06646788994385 30.974 > 1 2 P 0.81485023836728 0.30512793452865 0.06646788994385 30.974 > 1 3 P 0.31485023836728 0.80512793452865 0.06646788994385 30.974 > 1 4 P 0.81485023836728 0.80512793452865 0.06646788994385 30.974 > 1 5 P 0.31485023836728 0.44487206547135 0.56646788994385 30.974 > 5 6 P 0.81485023836728 0.44487206547135 0.56646788994385 30.974 > 5 7 P 0.31485023836728 0.94487206547135 0.56646788994385 30.974 > 5 8 P 0.81485023836728 0.94487206547135 0.56646788994385 30.974 > 5 9 P 0.18514976163272 0.19487206547135 0.93353211005615 30.974 > 9 10 P 0.68514976163272 0.19487206547135 0.93353211005615 30.974 > 9 11 P 0.18514976163272 0.69487206547135 0.93353211005615 30.974 > 9 12 P 0.68514976163272 0.69487206547135 0.93353211005615 30.974 > 9 13 P 0.18514976163272 0.05512793452865 0.43353211005615 30.974 > 13 14 P 0.68514976163272 0.05512793452865 0.43353211005615 30.974 > 13 15 P 0.18514976163272 0.55512793452865 0.43353211005615 30.974 > 13 16 P 0.68514976163272 0.55512793452865 0.43353211005615 30.974 > 13 17 S 0.10876276255869 0.09735832916452 0.53856079165310 32.065 > 17 18 S 0.60876276255869 0.09735832916452 0.53856079165310 32.065 > 17 19 S 0.10876276255869 0.59735832916452 0.53856079165310 32.065 > 17 20 S 0.60876276255869 0.59735832916452 0.53856079165310 32.065 > 17 21 S 0.29882360476053 0.09795198165172 0.94332307308075 32.065 > 21 22 S 0.79882360476053 0.09795198165172 0.94332307308075 32.065 > 21 23 S 0.29882360476053 0.59795198165172 0.94332307308075 32.065 > 21 24 S 0.79882360476053 0.59795198165172 0.94332307308075 32.065 > 21 25 S 0.29882360476053 0.15204801834828 0.44332307308074 32.065 > 25 26 S 0.79882360476053 0.15204801834828 0.44332307308074 32.065 > 25 27 S 0.29882360476053 0.65204801834828 0.44332307308074 32.065 > 25 28 S 0.79882360476053 0.65204801834828 0.44332307308074 32.065 > 25 29 S 0.39123723744131 0.34735832916452 0.96143920834690 32.065 > 29 30 S 0.89123723744131 0.34735832916452 0.96143920834690 32.065 > 29 31 S 0.39123723744131 0.84735832916452 0.96143920834690 32.065 > 29 32 S 0.89123723744131 0.84735832916452 0.96143920834690 32.065 > 29 33 S 0.43472112007439 0.25194140610658 0.26475214614204 32.065 > 33 34 S 0.93472112007439 0.25194140610658 0.26475214614204 32.065 > 33 35 S 0.43472112007439 0.75194140610658 0.26475214614204 32.065 > 33 36 S 0.93472112007439 0.75194140610658 0.26475214614204 32.065 > 33 37 S 0.43472112007439 0.49805859389342 0.76475214614204 32.065 > 37 38 S 0.93472112007439 0.49805859389342 0.76475214614204 32.065 > 37 39 S 0.43472112007439 0.99805859389342 0.76475214614204 32.065 > 37 40 S 0.93472112007439 0.99805859389342 0.76475214614204 32.065 > 37 41 S 0.20117639523947 0.40204801834828 0.05667692691926 32.065 > 41 42 S 0.70117639523947 0.40204801834828 0.05667692691926 32.065 > 41 43 S 0.20117639523947 0.90204801834828 0.05667692691926 32.065 > 41 44 S 0.70117639523947 0.90204801834828 0.05667692691926 32.065 > 41 45 S 0.39123723744131 0.40264167083548 0.46143920834690 32.065 > 45 46 S 0.89123723744131 0.40264167083548 0.46143920834690 32.065 > 45 47 S 0.39123723744131 0.90264167083548 0.46143920834690 32.065 > 45 48 S 0.89123723744131 0.90264167083548 0.46143920834690 32.065 > 45 49 S 0.06527887992561 0.24805859389342 0.73524785385796 32.065 > 49 50 S 0.56527887992561 0.24805859389342 0.73524785385796 32.065 > 49 51 S 0.06527887992561 0.74805859389342 0.73524785385796 32.065 > 49 52 S 0.56527887992561 0.74805859389342 0.73524785385796 32.065 > 49 53 S 0.20117639523947 0.34795198165172 0.55667692691925 32.065 > 53 54 S 0.70117639523947 0.34795198165172 0.55667692691925 32.065 > 53 55 S 0.20117639523947 0.84795198165172 0.55667692691925 32.065 > 53 56 S 0.70117639523947 0.84795198165172 0.55667692691925 32.065 > 53 57 S 0.06527887992561 0.00194140610658 0.23524785385796 32.065 > 57 58 S 0.56527887992561 0.00194140610658 0.23524785385796 32.065 > 57 59 S 0.06527887992561 0.50194140610658 0.23524785385796 32.065 > 57 60 S 0.56527887992561 0.50194140610658 0.23524785385796 32.065 > 57 61 S 0.10876276255869 0.15264167083548 0.03856079165310 32.065 > 61 62 S 0.60876276255869 0.15264167083548 0.03856079165310 32.065 > 61 63 S 0.10876276255869 0.65264167083548 0.03856079165310 32.065 > 61 64 S 0.60876276255869 0.65264167083548 0.03856079165310 32.065 > 61 65 Pb 0.35672963216708 0.05839770225756 0.25076537838721 207.200 > 65 66 Pb 0.85672963216708 0.05839770225756 0.25076537838721 207.200 > 65 67 Pb 0.35672963216708 0.55839770225756 0.25076537838721 207.200 > 65 68 Pb 0.85672963216708 0.55839770225756 0.25076537838721 207.200 > 65 69 Pb 0.14327036783292 0.30839770225756 0.24923462161279 207.200 > 69 70 Pb 0.64327036783292 0.30839770225756 0.24923462161279 207.200 > 69 71 Pb 0.14327036783292 0.80839770225756 0.24923462161279 207.200 > 69 72 Pb 0.64327036783292 0.80839770225756 0.24923462161279 207.200 > 69 73 Pb 0.14327036783292 0.44160229774244 0.74923462161279 207.200 > 73 74 Pb 0.64327036783292 0.44160229774244 0.74923462161279 207.200 > 73 75 Pb 0.14327036783292 0.94160229774244 0.74923462161279 207.200 > 73 76 Pb 0.64327036783292 0.94160229774244 0.74923462161279 207.200 > 73 77 Pb 0.35672963216708 0.19160229774244 0.75076537838721 207.200 > 77 78 Pb 0.85672963216708 0.19160229774244 0.75076537838721 207.200 > 77 79 Pb 0.35672963216708 0.69160229774244 0.75076537838721 207.200 > 77 80 Pb 0.85672963216708 0.69160229774244 0.75076537838721 207.200 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.4145067 0.0000000 -0.0012138 0.0000000 8.3296423 0.0000000 -0.0012102 0.0000000 8.9370044 -------------------------- Born effective charges -------------------------- 1 P 2.2132492 -0.5934111 0.1945798 -1.0803708 1.8150789 -0.8118743 -0.6323892 -0.3858317 2.0912727 2 P 2.2132492 0.5934111 0.1945798 1.0803708 1.8150789 0.8118743 -0.6323892 0.3858317 2.0912727 3 P 2.2132492 -0.5934111 0.1945798 -1.0803708 1.8150789 -0.8118743 -0.6323892 -0.3858317 2.0912727 4 P 2.2132492 0.5934111 0.1945798 1.0803708 1.8150789 0.8118743 -0.6323892 0.3858317 2.0912727 5 S -2.3503381 -0.3929137 -0.2092581 -0.3594272 -1.3074336 0.0239886 -0.0168131 -0.0973468 -2.5972330 6 S -1.8852081 0.1525442 0.7048152 0.6090020 -2.5839431 -0.1049981 0.8566879 -0.2021485 -1.9294358 7 S -1.8852081 -0.1525442 0.7048152 -0.6090020 -2.5839431 0.1049981 0.8566879 0.2021485 -1.9294358 8 S -2.3503381 0.3929137 -0.2092581 0.3594272 -1.3074336 -0.0239886 -0.0168131 0.0973468 -2.5972330 9 S -2.0493225 -0.4029994 -0.3962488 -0.5806472 -1.8434953 0.5646312 -0.2806422 0.4942357 -1.9136719 10 S -2.0493225 0.4029994 -0.3962488 0.5806472 -1.8434953 -0.5646312 -0.2806422 -0.4942357 -1.9136719 11 S -1.8852081 0.1525442 0.7048152 0.6090020 -2.5839431 -0.1049981 0.8566879 -0.2021485 -1.9294358 12 S -2.3503381 -0.3929137 -0.2092581 -0.3594272 -1.3074336 0.0239886 -0.0168131 -0.0973468 -2.5972330 13 S -2.0493225 -0.4029994 -0.3962488 -0.5806472 -1.8434953 0.5646312 -0.2806422 0.4942357 -1.9136719 14 S -1.8852081 -0.1525442 0.7048152 -0.6090020 -2.5839431 0.1049981 0.8566879 0.2021485 -1.9294358 15 S -2.0493225 0.4029994 -0.3962488 0.5806472 -1.8434953 -0.5646312 -0.2806422 -0.4942357 -1.9136719 16 S -2.3503381 0.3929137 -0.2092581 0.3594272 -1.3074336 -0.0239886 -0.0168131 0.0973468 -2.5972330 17 Pb 4.0716195 0.0102659 -0.2938881 -0.1498521 3.9197930 -0.2157432 0.0731566 -0.5603317 4.3490679 18 Pb 4.0716195 -0.0102659 -0.2938881 0.1498521 3.9197930 0.2157432 0.0731566 0.5603317 4.3490679 19 Pb 4.0716195 0.0102659 -0.2938881 -0.1498521 3.9197930 -0.2157432 0.0731566 -0.5603317 4.3490679 20 Pb 4.0716195 -0.0102659 -0.2938881 0.1498521 3.9197930 0.2157432 0.0731566 0.5603317 4.3490679 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] Computing fc3[ 21, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000002 (xxx) 0.00000002 (xxx) 0.00000002 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000002 (xy) 0.00000002 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:52:06]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:52:07]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.598174680418447 0.000000000000000 0.000000000000000 b 0.000000000000000 7.410837510000000 0.000000000000000 c -6.329339604487767 0.000000000000000 9.244717872910382 Atomic positions (fractional): 1 P 0.62970047673456 0.61025586905730 0.06646788994385 30.974 2 P 0.62970047673456 0.88974413094270 0.56646788994385 30.974 3 P 0.37029952326544 0.38974413094270 0.93353211005615 30.974 4 P 0.37029952326544 0.11025586905730 0.43353211005615 30.974 5 S 0.21752552511737 0.19471665832905 0.53856079165310 32.065 6 S 0.59764720952105 0.19590396330344 0.94332307308075 32.065 7 S 0.59764720952105 0.30409603669656 0.44332307308074 32.065 8 S 0.78247447488263 0.69471665832905 0.96143920834690 32.065 9 S 0.86944224014877 0.50388281221316 0.26475214614204 32.065 10 S 0.86944224014877 0.99611718778684 0.76475214614204 32.065 11 S 0.40235279047895 0.80409603669656 0.05667692691926 32.065 12 S 0.78247447488263 0.80528334167095 0.46143920834690 32.065 13 S 0.13055775985123 0.49611718778684 0.73524785385796 32.065 14 S 0.40235279047895 0.69590396330344 0.55667692691925 32.065 15 S 0.13055775985123 0.00388281221317 0.23524785385796 32.065 16 S 0.21752552511737 0.30528334167095 0.03856079165310 32.065 17 Pb 0.71345926433416 0.11679540451512 0.25076537838721 207.200 18 Pb 0.28654073566584 0.61679540451512 0.24923462161279 207.200 19 Pb 0.28654073566584 0.88320459548488 0.74923462161279 207.200 20 Pb 0.71345926433416 0.38320459548488 0.75076537838721 207.200 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.196349360836894 0.000000000000000 0.000000000000000 b 0.000000000000000 14.821675020000001 0.000000000000000 c -6.329339604487767 0.000000000000000 9.244717872910382 Atomic positions (fractional): 1 P 0.31485023836728 0.30512793452865 0.06646788994385 30.974 > 1 2 P 0.81485023836728 0.30512793452865 0.06646788994385 30.974 > 1 3 P 0.31485023836728 0.80512793452865 0.06646788994385 30.974 > 1 4 P 0.81485023836728 0.80512793452865 0.06646788994385 30.974 > 1 5 P 0.31485023836728 0.44487206547135 0.56646788994385 30.974 > 5 6 P 0.81485023836728 0.44487206547135 0.56646788994385 30.974 > 5 7 P 0.31485023836728 0.94487206547135 0.56646788994385 30.974 > 5 8 P 0.81485023836728 0.94487206547135 0.56646788994385 30.974 > 5 9 P 0.18514976163272 0.19487206547135 0.93353211005615 30.974 > 9 10 P 0.68514976163272 0.19487206547135 0.93353211005615 30.974 > 9 11 P 0.18514976163272 0.69487206547135 0.93353211005615 30.974 > 9 12 P 0.68514976163272 0.69487206547135 0.93353211005615 30.974 > 9 13 P 0.18514976163272 0.05512793452865 0.43353211005615 30.974 > 13 14 P 0.68514976163272 0.05512793452865 0.43353211005615 30.974 > 13 15 P 0.18514976163272 0.55512793452865 0.43353211005615 30.974 > 13 16 P 0.68514976163272 0.55512793452865 0.43353211005615 30.974 > 13 17 S 0.10876276255869 0.09735832916452 0.53856079165310 32.065 > 17 18 S 0.60876276255869 0.09735832916452 0.53856079165310 32.065 > 17 19 S 0.10876276255869 0.59735832916452 0.53856079165310 32.065 > 17 20 S 0.60876276255869 0.59735832916452 0.53856079165310 32.065 > 17 21 S 0.29882360476053 0.09795198165172 0.94332307308075 32.065 > 21 22 S 0.79882360476053 0.09795198165172 0.94332307308075 32.065 > 21 23 S 0.29882360476053 0.59795198165172 0.94332307308075 32.065 > 21 24 S 0.79882360476053 0.59795198165172 0.94332307308075 32.065 > 21 25 S 0.29882360476053 0.15204801834828 0.44332307308074 32.065 > 25 26 S 0.79882360476053 0.15204801834828 0.44332307308074 32.065 > 25 27 S 0.29882360476053 0.65204801834828 0.44332307308074 32.065 > 25 28 S 0.79882360476053 0.65204801834828 0.44332307308074 32.065 > 25 29 S 0.39123723744131 0.34735832916452 0.96143920834690 32.065 > 29 30 S 0.89123723744131 0.34735832916452 0.96143920834690 32.065 > 29 31 S 0.39123723744131 0.84735832916452 0.96143920834690 32.065 > 29 32 S 0.89123723744131 0.84735832916452 0.96143920834690 32.065 > 29 33 S 0.43472112007439 0.25194140610658 0.26475214614204 32.065 > 33 34 S 0.93472112007439 0.25194140610658 0.26475214614204 32.065 > 33 35 S 0.43472112007439 0.75194140610658 0.26475214614204 32.065 > 33 36 S 0.93472112007439 0.75194140610658 0.26475214614204 32.065 > 33 37 S 0.43472112007439 0.49805859389342 0.76475214614204 32.065 > 37 38 S 0.93472112007439 0.49805859389342 0.76475214614204 32.065 > 37 39 S 0.43472112007439 0.99805859389342 0.76475214614204 32.065 > 37 40 S 0.93472112007439 0.99805859389342 0.76475214614204 32.065 > 37 41 S 0.20117639523947 0.40204801834828 0.05667692691926 32.065 > 41 42 S 0.70117639523947 0.40204801834828 0.05667692691926 32.065 > 41 43 S 0.20117639523947 0.90204801834828 0.05667692691926 32.065 > 41 44 S 0.70117639523947 0.90204801834828 0.05667692691926 32.065 > 41 45 S 0.39123723744131 0.40264167083548 0.46143920834690 32.065 > 45 46 S 0.89123723744131 0.40264167083548 0.46143920834690 32.065 > 45 47 S 0.39123723744131 0.90264167083548 0.46143920834690 32.065 > 45 48 S 0.89123723744131 0.90264167083548 0.46143920834690 32.065 > 45 49 S 0.06527887992561 0.24805859389342 0.73524785385796 32.065 > 49 50 S 0.56527887992561 0.24805859389342 0.73524785385796 32.065 > 49 51 S 0.06527887992561 0.74805859389342 0.73524785385796 32.065 > 49 52 S 0.56527887992561 0.74805859389342 0.73524785385796 32.065 > 49 53 S 0.20117639523947 0.34795198165172 0.55667692691925 32.065 > 53 54 S 0.70117639523947 0.34795198165172 0.55667692691925 32.065 > 53 55 S 0.20117639523947 0.84795198165172 0.55667692691925 32.065 > 53 56 S 0.70117639523947 0.84795198165172 0.55667692691925 32.065 > 53 57 S 0.06527887992561 0.00194140610658 0.23524785385796 32.065 > 57 58 S 0.56527887992561 0.00194140610658 0.23524785385796 32.065 > 57 59 S 0.06527887992561 0.50194140610658 0.23524785385796 32.065 > 57 60 S 0.56527887992561 0.50194140610658 0.23524785385796 32.065 > 57 61 S 0.10876276255869 0.15264167083548 0.03856079165310 32.065 > 61 62 S 0.60876276255869 0.15264167083548 0.03856079165310 32.065 > 61 63 S 0.10876276255869 0.65264167083548 0.03856079165310 32.065 > 61 64 S 0.60876276255869 0.65264167083548 0.03856079165310 32.065 > 61 65 Pb 0.35672963216708 0.05839770225756 0.25076537838721 207.200 > 65 66 Pb 0.85672963216708 0.05839770225756 0.25076537838721 207.200 > 65 67 Pb 0.35672963216708 0.55839770225756 0.25076537838721 207.200 > 65 68 Pb 0.85672963216708 0.55839770225756 0.25076537838721 207.200 > 65 69 Pb 0.14327036783292 0.30839770225756 0.24923462161279 207.200 > 69 70 Pb 0.64327036783292 0.30839770225756 0.24923462161279 207.200 > 69 71 Pb 0.14327036783292 0.80839770225756 0.24923462161279 207.200 > 69 72 Pb 0.64327036783292 0.80839770225756 0.24923462161279 207.200 > 69 73 Pb 0.14327036783292 0.44160229774244 0.74923462161279 207.200 > 73 74 Pb 0.64327036783292 0.44160229774244 0.74923462161279 207.200 > 73 75 Pb 0.14327036783292 0.94160229774244 0.74923462161279 207.200 > 73 76 Pb 0.64327036783292 0.94160229774244 0.74923462161279 207.200 > 73 77 Pb 0.35672963216708 0.19160229774244 0.75076537838721 207.200 > 77 78 Pb 0.85672963216708 0.19160229774244 0.75076537838721 207.200 > 77 79 Pb 0.35672963216708 0.69160229774244 0.75076537838721 207.200 > 77 80 Pb 0.85672963216708 0.69160229774244 0.75076537838721 207.200 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 8.4145067 0.0000000 -0.0012138 0.0000000 8.3296423 0.0000000 -0.0012102 0.0000000 8.9370044 -------------------------- Born effective charges -------------------------- 1 P 2.2132492 -0.5934111 0.1945798 -1.0803708 1.8150789 -0.8118743 -0.6323892 -0.3858317 2.0912727 2 P 2.2132492 0.5934111 0.1945798 1.0803708 1.8150789 0.8118743 -0.6323892 0.3858317 2.0912727 3 P 2.2132492 -0.5934111 0.1945798 -1.0803708 1.8150789 -0.8118743 -0.6323892 -0.3858317 2.0912727 4 P 2.2132492 0.5934111 0.1945798 1.0803708 1.8150789 0.8118743 -0.6323892 0.3858317 2.0912727 5 S -2.3503381 -0.3929137 -0.2092581 -0.3594272 -1.3074336 0.0239886 -0.0168131 -0.0973468 -2.5972330 6 S -1.8852081 0.1525442 0.7048152 0.6090020 -2.5839431 -0.1049981 0.8566879 -0.2021485 -1.9294358 7 S -1.8852081 -0.1525442 0.7048152 -0.6090020 -2.5839431 0.1049981 0.8566879 0.2021485 -1.9294358 8 S -2.3503381 0.3929137 -0.2092581 0.3594272 -1.3074336 -0.0239886 -0.0168131 0.0973468 -2.5972330 9 S -2.0493225 -0.4029994 -0.3962488 -0.5806472 -1.8434953 0.5646312 -0.2806422 0.4942357 -1.9136719 10 S -2.0493225 0.4029994 -0.3962488 0.5806472 -1.8434953 -0.5646312 -0.2806422 -0.4942357 -1.9136719 11 S -1.8852081 0.1525442 0.7048152 0.6090020 -2.5839431 -0.1049981 0.8566879 -0.2021485 -1.9294358 12 S -2.3503381 -0.3929137 -0.2092581 -0.3594272 -1.3074336 0.0239886 -0.0168131 -0.0973468 -2.5972330 13 S -2.0493225 -0.4029994 -0.3962488 -0.5806472 -1.8434953 0.5646312 -0.2806422 0.4942357 -1.9136719 14 S -1.8852081 -0.1525442 0.7048152 -0.6090020 -2.5839431 0.1049981 0.8566879 0.2021485 -1.9294358 15 S -2.0493225 0.4029994 -0.3962488 0.5806472 -1.8434953 -0.5646312 -0.2806422 -0.4942357 -1.9136719 16 S -2.3503381 0.3929137 -0.2092581 0.3594272 -1.3074336 -0.0239886 -0.0168131 0.0973468 -2.5972330 17 Pb 4.0716195 0.0102659 -0.2938881 -0.1498521 3.9197930 -0.2157432 0.0731566 -0.5603317 4.3490679 18 Pb 4.0716195 -0.0102659 -0.2938881 0.1498521 3.9197930 0.2157432 0.0731566 0.5603317 4.3490679 19 Pb 4.0716195 0.0102659 -0.2938881 -0.1498521 3.9197930 -0.2157432 0.0731566 -0.5603317 4.3490679 20 Pb 4.0716195 -0.0102659 -0.2938881 0.1498521 3.9197930 0.2157432 0.0731566 0.5603317 4.3490679 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000002 (xxx) 0.00000002 (xxx) 0.00000002 (xxx) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- 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 ... [ 9 7 5 ] 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: 305, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/92) ======================= 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 92 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 1.089 ( 0.000 0.000 0.000) 0.000 1.222 ( 0.000 0.000 0.000) 0.000 1.227 ( 0.000 0.000 0.000) 0.000 1.312 ( 0.000 0.000 0.000) 0.000 1.423 ( 0.000 0.000 0.000) 0.000 1.556 ( 0.000 0.000 0.000) 0.000 1.583 ( 0.000 0.000 0.000) 0.000 1.725 ( 0.000 0.000 0.000) 0.000 1.810 ( 0.000 0.000 0.000) 0.000 2.178 ( 0.000 0.000 0.000) 0.000 2.223 ( 0.000 0.000 0.000) 0.000 2.242 ( 0.000 0.000 0.000) 0.000 2.953 ( 0.000 0.000 0.000) 0.000 3.018 ( 0.000 0.000 0.000) 0.000 3.049 ( 0.000 0.000 0.000) 0.000 3.197 ( 0.000 0.000 0.000) 0.000 3.477 ( 0.000 0.000 0.000) 0.000 3.554 ( 0.000 0.000 0.000) 0.000 3.765 ( 0.000 0.000 0.000) 0.000 3.829 ( 0.000 0.000 0.000) 0.000 4.010 ( 0.000 0.000 0.000) 0.000 4.119 ( 0.000 0.000 0.000) 0.000 4.253 ( 0.000 0.000 0.000) 0.000 4.439 ( 0.000 0.000 0.000) 0.000 4.674 ( 0.000 0.000 0.000) 0.000 5.194 ( 0.000 0.000 0.000) 0.000 5.274 ( 0.000 0.000 0.000) 0.000 5.395 ( 0.000 0.000 0.000) 0.000 5.485 ( 0.000 0.000 0.000) 0.000 5.637 ( 0.000 0.000 0.000) 0.000 5.741 ( 0.000 0.000 0.000) 0.000 5.960 ( 0.000 0.000 0.000) 0.000 6.326 ( 0.000 0.000 0.000) 0.000 6.345 ( 0.000 0.000 0.000) 0.000 6.354 ( 0.000 0.000 0.000) 0.000 6.851 ( 0.000 0.000 0.000) 0.000 7.141 ( 0.000 0.000 0.000) 0.000 7.212 ( 0.000 0.000 0.000) 0.000 7.238 ( 0.000 0.000 0.000) 0.000 7.510 ( 0.000 0.000 0.000) 0.000 7.781 ( 0.000 0.000 0.000) 0.000 7.795 ( 0.000 0.000 0.000) 0.000 7.938 ( 0.000 0.000 0.000) 0.000 11.040 ( 0.000 0.000 0.000) 0.000 11.062 ( 0.000 0.000 0.000) 0.000 12.737 ( 0.000 0.000 0.000) 0.000 12.822 ( 0.000 0.000 0.000) 0.000 15.996 ( 0.000 0.000 0.000) 0.000 16.033 ( 0.000 0.000 0.000) 0.000 16.394 ( 0.000 0.000 0.000) 0.000 16.468 ( 0.000 0.000 0.000) 0.000 16.518 ( 0.000 0.000 0.000) 0.000 16.570 ( 0.000 0.000 0.000) 0.000 16.808 ( 0.000 0.000 0.000) 0.000 17.021 ( 0.000 0.000 0.000) 0.000 17.084 ( 0.000 0.000 0.000) 0.000 17.260 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/92) ======================= q-point: ( 0.11 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.308 ( 10.355 0.000 11.300) 15.327 0.317 ( 19.452 0.000 -2.382) 19.597 0.748 ( 22.564 0.000 25.865) 34.324 1.112 ( 1.739 0.000 1.933) 2.601 1.187 ( -1.622 0.000 -3.386) 3.755 1.236 ( 1.549 0.000 -0.425) 1.606 1.306 ( -1.727 0.000 0.808) 1.907 1.384 ( 0.278 0.000 -5.136) 5.143 1.592 ( 1.760 0.000 -0.816) 1.940 1.609 ( -0.557 0.000 4.565) 4.598 1.717 ( -0.786 0.000 -0.330) 0.853 1.962 ( -1.537 0.000 15.059) 15.137 2.182 ( -4.163 0.000 -2.929) 5.090 2.245 ( 1.564 0.000 0.534) 1.652 2.890 ( -4.077 0.000 2.933) 5.022 2.991 ( -3.104 0.000 -2.719) 4.126 3.025 ( 1.647 0.000 -2.934) 3.365 3.167 ( 0.666 0.000 -4.099) 4.153 3.461 ( -1.993 0.000 -0.044) 1.993 3.490 ( -3.444 0.000 -4.963) 6.041 3.508 ( -1.601 0.000 7.340) 7.512 3.869 ( 13.580 0.000 -17.408) 22.079 3.873 ( 2.900 0.000 2.571) 3.876 4.033 ( 0.436 0.000 2.070) 2.116 4.037 ( -7.543 0.000 -2.353) 7.901 4.238 ( -2.920 0.000 1.138) 3.134 4.438 ( -0.252 0.000 1.211) 1.237 4.662 ( -4.158 0.000 0.274) 4.167 5.192 ( -3.415 0.000 4.452) 5.611 5.262 ( -2.887 0.000 2.623) 3.901 5.389 ( -1.789 0.000 -0.485) 1.854 5.501 ( 2.588 0.000 -2.067) 3.312 5.694 ( 4.348 0.000 0.359) 4.362 5.718 ( -1.126 0.000 -1.858) 2.172 5.975 ( -0.237 0.000 4.194) 4.201 6.180 ( -7.995 0.000 -0.968) 8.053 6.483 ( 6.348 0.000 0.219) 6.352 6.575 ( 10.548 0.000 -8.872) 13.783 6.952 ( -6.795 0.000 11.299) 13.185 7.062 ( -6.832 0.000 -2.927) 7.433 7.162 ( 2.114 0.000 0.741) 2.240 7.356 ( 4.250 0.000 1.289) 4.441 7.521 ( 0.819 0.000 0.429) 0.924 7.728 ( -2.846 0.000 -3.363) 4.405 7.933 ( 0.053 0.000 -1.429) 1.430 8.055 ( -0.777 0.000 1.622) 1.799 11.034 ( -0.711 0.000 -0.004) 0.711 11.066 ( -0.164 0.000 0.950) 0.964 12.738 ( -0.117 0.000 0.354) 0.373 12.871 ( -2.670 0.000 1.607) 3.116 16.023 ( 2.096 0.000 1.249) 2.440 16.028 ( 0.237 0.000 -1.238) 1.261 16.394 ( -0.049 0.000 0.010) 0.049 16.451 ( -0.965 0.000 -0.494) 1.084 16.608 ( 3.325 0.000 0.586) 3.376 16.637 ( 11.097 0.000 -16.363) 19.771 16.816 ( 0.543 0.000 0.734) 0.913 17.081 ( 0.064 0.000 -0.541) 0.545 17.247 ( -5.494 0.000 9.220) 10.733 17.261 ( -0.791 0.000 1.231) 1.463 ======================= Grid point 2 (3/92) ======================= q-point: ( 0.22 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.593 ( 14.190 0.000 1.189) 14.239 0.603 ( 9.805 0.000 9.940) 13.962 1.094 ( -2.929 0.000 -6.046) 6.718 1.114 ( 3.402 0.000 0.428) 3.428 1.259 ( 3.706 0.000 -0.658) 3.764 1.269 ( -2.927 0.000 0.293) 2.941 1.293 ( -1.064 0.000 5.707) 5.805 1.412 ( 11.708 0.000 7.558) 13.936 1.608 ( 0.174 0.000 -1.343) 1.354 1.641 ( 0.375 0.000 3.801) 3.820 1.692 ( -1.042 0.000 -0.793) 1.310 2.057 ( -5.262 0.000 -3.086) 6.100 2.173 ( 7.715 0.000 9.962) 12.600 2.295 ( 3.365 0.000 0.952) 3.497 2.846 ( -5.355 0.000 5.801) 7.895 2.939 ( 1.732 0.000 -4.256) 4.595 2.940 ( -3.199 0.000 -11.210) 11.658 3.159 ( 3.838 0.000 -5.393) 6.619 3.395 ( -0.945 0.000 -0.667) 1.156 3.414 ( -1.822 0.000 -2.002) 2.706 3.575 ( 2.268 0.000 3.217) 3.936 3.825 ( -10.579 0.000 -2.975) 10.989 3.906 ( 5.963 0.000 -8.734) 10.576 3.953 ( 0.736 0.000 3.531) 3.607 4.041 ( -2.782 0.000 2.054) 3.458 4.178 ( -3.519 0.000 -0.195) 3.524 4.481 ( 2.122 0.000 3.142) 3.791 4.574 ( -4.403 0.000 -2.432) 5.030 5.182 ( -4.345 0.000 5.348) 6.890 5.246 ( -3.663 0.000 4.345) 5.682 5.357 ( -0.998 0.000 -0.975) 1.395 5.501 ( 2.315 0.000 -5.399) 5.874 5.672 ( -1.647 0.000 -2.077) 2.651 5.746 ( 2.472 0.000 -1.197) 2.747 6.062 ( 2.008 0.000 7.123) 7.401 6.064 ( -5.476 0.000 0.971) 5.561 6.532 ( 1.494 0.000 -3.694) 3.984 6.654 ( 6.879 0.000 -4.062) 7.989 6.958 ( -3.057 0.000 -0.003) 3.057 6.978 ( -3.576 0.000 8.395) 9.125 7.232 ( 4.093 0.000 2.106) 4.603 7.367 ( -2.373 0.000 -2.301) 3.305 7.541 ( 0.830 0.000 0.280) 0.876 7.663 ( 0.704 0.000 -3.137) 3.215 7.904 ( -0.679 0.000 -2.403) 2.497 8.062 ( -0.298 0.000 0.981) 1.025 11.018 ( -1.115 0.000 0.059) 1.116 11.077 ( -0.203 0.000 1.541) 1.554 12.740 ( -0.268 0.000 0.517) 0.582 12.835 ( -2.277 0.000 -0.392) 2.310 16.014 ( 0.386 0.000 -1.952) 1.990 16.083 ( 2.643 0.000 1.606) 3.092 16.393 ( -0.029 0.000 0.080) 0.085 16.436 ( -0.238 0.000 -0.149) 0.281 16.636 ( 5.271 0.000 -7.665) 9.303 16.674 ( 3.651 0.000 0.080) 3.652 16.843 ( 1.195 0.000 1.403) 1.843 17.076 ( 0.377 0.000 -0.891) 0.967 17.263 ( -1.378 0.000 2.400) 2.768 17.264 ( -1.638 0.000 4.020) 4.341 ======================= Grid point 3 (4/92) ======================= q-point: ( 0.33 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.824 ( 9.106 0.000 4.702) 10.248 0.853 ( 7.863 0.000 6.550) 10.234 0.951 ( -4.279 0.000 -7.279) 8.443 1.137 ( 1.055 0.000 -2.046) 2.302 1.241 ( -0.472 0.000 0.789) 0.920 1.259 ( -0.801 0.000 -0.397) 0.894 1.315 ( 1.559 0.000 -0.223) 1.575 1.533 ( -5.465 0.000 -2.536) 6.025 1.588 ( 3.799 0.000 1.209) 3.987 1.668 ( -0.896 0.000 -1.987) 2.180 1.767 ( 1.391 0.000 8.254) 8.371 1.975 ( -2.061 0.000 0.315) 2.085 2.371 ( 3.452 0.000 0.901) 3.568 2.377 ( 5.343 0.000 4.236) 6.818 2.697 ( -4.373 0.000 -15.083) 15.704 2.900 ( 1.204 0.000 9.614) 9.689 2.933 ( 2.489 0.000 -3.442) 4.247 3.153 ( 1.324 0.000 -2.636) 2.950 3.363 ( -0.968 0.000 -2.493) 2.674 3.451 ( 3.957 0.000 2.692) 4.786 3.612 ( -9.501 0.000 -2.070) 9.724 3.656 ( 3.858 0.000 1.164) 4.029 3.894 ( -9.344 0.000 1.406) 9.450 3.900 ( 2.294 0.000 -4.996) 5.497 4.037 ( 0.270 0.000 0.663) 0.716 4.160 ( 0.130 0.000 0.767) 0.778 4.476 ( -3.385 0.000 -2.227) 4.052 4.557 ( 2.272 0.000 2.673) 3.508 5.168 ( -3.438 0.000 3.636) 5.004 5.248 ( -2.278 0.000 5.159) 5.640 5.336 ( -0.454 0.000 -0.478) 0.659 5.465 ( 1.956 0.000 -6.693) 6.973 5.607 ( -3.222 0.000 -2.052) 3.820 5.765 ( 1.279 0.000 -0.650) 1.434 6.020 ( -2.016 0.000 1.800) 2.703 6.169 ( 1.367 0.000 5.390) 5.561 6.474 ( -1.449 0.000 -4.436) 4.666 6.700 ( 3.805 0.000 -3.555) 5.208 6.935 ( -1.414 0.000 0.667) 1.564 7.025 ( -1.561 0.000 7.064) 7.235 7.278 ( -2.656 0.000 -3.080) 4.067 7.333 ( 4.240 0.000 2.234) 4.793 7.552 ( 0.338 0.000 0.026) 0.339 7.661 ( 1.581 0.000 -2.008) 2.556 7.866 ( -0.455 0.000 -1.883) 1.937 8.066 ( -0.316 0.000 0.551) 0.635 11.001 ( -1.026 0.000 0.123) 1.033 11.093 ( -0.117 0.000 1.452) 1.456 12.740 ( -0.333 0.000 0.416) 0.532 12.792 ( -1.788 0.000 -0.878) 1.992 15.998 ( 0.363 0.000 -1.759) 1.796 16.137 ( 1.694 0.000 1.062) 1.999 16.395 ( 0.034 0.000 0.130) 0.135 16.437 ( 0.222 0.000 0.138) 0.261 16.638 ( 2.897 0.000 -4.005) 4.943 16.725 ( 2.449 0.000 -0.438) 2.488 16.885 ( 1.567 0.000 1.560) 2.212 17.073 ( 0.541 0.000 -1.072) 1.201 17.271 ( -1.238 0.000 2.848) 3.105 17.281 ( -0.508 0.000 1.891) 1.958 ======================= Grid point 4 (5/92) ======================= q-point: ( 0.44 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.801 ( -2.288 0.000 -5.213) 5.693 0.995 ( 4.238 0.000 4.448) 6.144 1.027 ( 4.103 0.000 4.447) 6.051 1.109 ( -1.077 0.000 -2.386) 2.618 1.243 ( -0.765 0.000 -1.898) 2.046 1.250 ( 0.106 0.000 -0.423) 0.436 1.325 ( 0.000 0.000 0.088) 0.088 1.439 ( -2.204 0.000 1.195) 2.507 1.606 ( -2.138 0.000 -2.720) 3.460 1.679 ( 7.310 0.000 -1.257) 7.418 1.782 ( -6.460 0.000 3.400) 7.300 1.974 ( -0.090 0.000 1.070) 1.074 2.377 ( -1.005 0.000 -2.596) 2.784 2.458 ( 1.306 0.000 1.204) 1.776 2.562 ( 1.285 0.000 -3.570) 3.794 2.936 ( 1.310 0.000 -1.659) 2.114 3.040 ( 2.123 0.000 5.705) 6.087 3.146 ( 0.181 0.000 -0.707) 0.730 3.325 ( -0.603 0.000 -1.420) 1.543 3.483 ( -3.059 0.000 -1.314) 3.329 3.534 ( 2.078 0.000 1.340) 2.473 3.709 ( 1.406 0.000 -0.327) 1.443 3.770 ( -4.707 0.000 0.171) 4.710 3.885 ( 0.459 0.000 -1.017) 1.116 4.042 ( -0.092 0.000 0.201) 0.221 4.168 ( 0.034 0.000 0.205) 0.208 4.421 ( -1.112 0.000 -0.682) 1.304 4.606 ( 0.871 0.000 0.954) 1.292 5.155 ( -1.312 0.000 1.165) 1.755 5.292 ( 0.008 0.000 5.014) 5.014 5.330 ( -0.044 0.000 -0.041) 0.060 5.410 ( 0.315 0.000 -5.774) 5.782 5.540 ( -1.822 0.000 -0.745) 1.968 5.775 ( 0.416 0.000 -0.158) 0.445 6.019 ( -0.312 0.000 0.807) 0.865 6.224 ( 0.233 0.000 1.911) 1.925 6.415 ( -0.779 0.000 -1.710) 1.879 6.709 ( 1.173 0.000 -1.577) 1.965 6.913 ( -1.004 0.000 -0.135) 1.013 7.073 ( -0.273 0.000 3.050) 3.063 7.231 ( -0.382 0.000 -0.973) 1.045 7.402 ( 1.647 0.000 0.516) 1.726 7.557 ( 0.176 0.000 0.243) 0.300 7.660 ( 0.435 0.000 -0.841) 0.947 7.849 ( -0.017 0.000 -0.607) 0.607 8.064 ( -0.200 0.000 0.136) 0.242 10.989 ( -0.421 0.000 0.068) 0.427 11.104 ( -0.027 0.000 0.601) 0.602 12.739 ( -0.159 0.000 0.150) 0.219 12.762 ( -0.697 0.000 -0.422) 0.815 15.988 ( 0.149 0.000 -0.703) 0.719 16.163 ( 0.505 0.000 0.328) 0.602 16.397 ( 0.031 0.000 0.063) 0.070 16.443 ( 0.152 0.000 0.102) 0.183 16.640 ( 0.952 0.000 -1.273) 1.590 16.747 ( 0.795 0.000 -0.279) 0.843 16.921 ( 0.785 0.000 0.712) 1.060 17.070 ( 0.237 0.000 -0.529) 0.579 17.283 ( -0.454 0.000 1.333) 1.408 17.289 ( -0.133 0.000 0.544) 0.560 ======================= Grid point 9 (6/92) ======================= q-point: ( 0.00 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.321 ( 0.000 16.342 0.000) 16.342 0.420 ( 0.000 19.360 0.000) 19.360 0.588 ( 0.000 28.605 0.000) 28.605 1.078 ( 0.000 -1.093 0.000) 1.093 1.220 ( 0.000 0.191 0.000) 0.191 1.252 ( 0.000 2.554 0.000) 2.554 1.339 ( 0.000 2.624 0.000) 2.624 1.392 ( 0.000 -2.894 0.000) 2.894 1.587 ( 0.000 2.269 0.000) 2.269 1.604 ( 0.000 -0.023 0.000) 0.023 1.709 ( 0.000 -1.165 0.000) 1.165 1.875 ( 0.000 6.612 0.000) 6.612 2.204 ( 0.000 -0.673 0.000) 0.673 2.229 ( 0.000 2.241 0.000) 2.241 2.936 ( 0.000 -3.963 0.000) 3.963 2.954 ( 0.000 -0.216 0.000) 0.216 3.013 ( 0.000 -3.579 0.000) 3.579 3.239 ( 0.000 3.963 0.000) 3.963 3.388 ( 0.000 -7.077 0.000) 7.077 3.399 ( 0.000 -0.271 0.000) 0.271 3.596 ( 0.000 0.772 0.000) 0.772 3.778 ( 0.000 -1.895 0.000) 1.895 3.789 ( 0.000 -0.355 0.000) 0.355 3.993 ( 0.000 -3.823 0.000) 3.823 4.133 ( 0.000 0.131 0.000) 0.131 4.220 ( 0.000 -3.305 0.000) 3.305 4.556 ( 0.000 3.014 0.000) 3.014 4.697 ( 0.000 1.854 0.000) 1.854 5.137 ( 0.000 -4.133 0.000) 4.133 5.317 ( 0.000 -5.705 0.000) 5.705 5.324 ( 0.000 1.368 0.000) 1.368 5.497 ( 0.000 -0.472 0.000) 0.472 5.689 ( 0.000 4.221 0.000) 4.221 5.774 ( 0.000 2.997 0.000) 2.997 5.934 ( 0.000 -2.198 0.000) 2.198 6.269 ( 0.000 -5.424 0.000) 5.424 6.343 ( 0.000 -0.242 0.000) 0.242 6.369 ( 0.000 0.827 0.000) 0.827 6.893 ( 0.000 3.822 0.000) 3.822 7.104 ( 0.000 -2.576 0.000) 2.576 7.201 ( 0.000 -0.914 0.000) 0.914 7.314 ( 0.000 2.363 0.000) 2.363 7.517 ( 0.000 0.992 0.000) 0.992 7.760 ( 0.000 -1.563 0.000) 1.563 7.820 ( 0.000 2.000 0.000) 2.000 8.184 ( 0.000 -2.305 0.000) 2.305 11.036 ( 0.000 -0.339 0.000) 0.339 11.061 ( 0.000 -0.075 0.000) 0.075 12.776 ( 0.000 -1.489 0.000) 1.489 12.811 ( 0.000 -1.172 0.000) 1.172 15.994 ( 0.000 -0.269 0.000) 0.269 16.021 ( 0.000 -1.123 0.000) 1.123 16.407 ( 0.000 1.266 0.000) 1.266 16.467 ( 0.000 0.291 0.000) 0.291 16.546 ( 0.000 2.251 0.000) 2.251 16.778 ( 0.000 -1.418 0.000) 1.418 16.854 ( 0.000 3.017 0.000) 3.017 17.065 ( 0.000 4.211 0.000) 4.211 17.083 ( 0.000 0.092 0.000) 0.092 17.487 ( 0.000 -0.546 0.000) 0.546 ======================= Grid point 10 (7/92) ======================= q-point: ( 0.11 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.471 ( 10.144 13.506 -0.434) 16.896 0.513 ( 9.394 13.303 3.632) 16.686 0.886 ( 14.036 12.310 17.922) 25.880 1.105 ( 1.501 -0.211 2.867) 3.243 1.175 ( -1.286 -0.394 -2.421) 2.769 1.267 ( 1.025 2.521 -0.422) 2.754 1.329 ( -1.653 0.470 -1.206) 2.099 1.377 ( 0.225 1.757 0.064) 1.773 1.592 ( -0.935 -1.245 -0.541) 1.649 1.604 ( 0.345 0.177 0.497) 0.630 1.730 ( 0.308 0.394 1.686) 1.758 1.982 ( 4.416 4.285 9.332) 11.178 2.160 ( -3.916 -2.257 -2.735) 5.283 2.260 ( 2.146 2.898 1.582) 3.938 2.904 ( -2.023 -0.624 0.033) 2.118 2.962 ( -3.928 -2.284 -1.107) 4.677 3.029 ( 5.472 -1.443 -1.329) 5.813 3.169 ( -1.712 2.821 -3.593) 4.878 3.372 ( -0.749 -5.823 -2.535) 6.395 3.449 ( -1.590 -2.302 3.214) 4.261 3.554 ( -1.100 0.165 -2.345) 2.596 3.809 ( 5.363 -2.723 -5.136) 7.909 3.832 ( 3.828 -3.151 1.939) 5.324 3.986 ( -0.458 -1.204 -3.349) 3.588 4.089 ( -4.044 0.204 1.046) 4.182 4.199 ( -3.185 -3.514 0.918) 4.830 4.503 ( -1.091 4.573 -1.928) 5.081 4.690 ( -2.874 2.313 0.526) 3.726 5.105 ( -4.110 -4.510 2.401) 6.557 5.293 ( -2.430 -3.401 1.995) 4.632 5.356 ( 2.259 0.840 -1.238) 2.710 5.514 ( 1.570 -0.452 -1.693) 2.353 5.720 ( 2.076 2.855 1.158) 3.715 5.761 ( -0.404 2.974 -1.563) 3.384 5.927 ( -1.203 -3.044 4.451) 5.525 6.150 ( -8.171 -3.424 -0.747) 8.890 6.469 ( 6.074 -1.500 -0.491) 6.276 6.504 ( 11.046 -4.145 -0.251) 11.801 6.933 ( -1.419 1.203 6.499) 6.760 7.045 ( -4.863 -1.300 -1.727) 5.322 7.185 ( 1.305 1.320 0.106) 1.859 7.362 ( 3.222 -0.051 -0.399) 3.247 7.525 ( 0.191 0.678 1.005) 1.227 7.713 ( -2.926 -1.345 -2.686) 4.194 7.889 ( 2.751 -0.680 2.476) 3.763 8.105 ( -3.093 0.825 -3.517) 4.756 11.036 ( -0.561 -0.050 0.247) 0.615 11.065 ( -0.141 -0.082 0.841) 0.856 12.742 ( -0.978 -0.191 -0.293) 1.039 12.842 ( -0.800 -2.402 1.447) 2.916 16.014 ( 1.338 -0.786 0.437) 1.612 16.020 ( 0.968 -0.674 -0.597) 1.322 16.404 ( -0.306 0.997 -0.078) 1.046 16.457 ( -0.486 0.613 -0.497) 0.927 16.578 ( 4.348 0.777 -1.980) 4.840 16.752 ( 3.561 3.960 -7.229) 8.979 16.835 ( 0.186 2.760 0.084) 2.768 17.081 ( 0.061 -0.138 -0.314) 0.348 17.159 ( 1.374 -0.297 7.138) 7.275 17.386 ( -5.651 4.017 -1.083) 7.017 ======================= Grid point 11 (8/92) ======================= q-point: ( 0.22 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.662 ( 11.503 7.470 0.755) 13.736 0.722 ( 6.951 8.822 7.793) 13.670 1.077 ( -1.872 -1.187 -4.737) 5.230 1.107 ( 2.005 -0.551 0.532) 2.146 1.249 ( -0.950 0.249 0.630) 1.166 1.270 ( -0.149 -0.839 -1.409) 1.646 1.350 ( 0.264 4.256 3.492) 5.512 1.441 ( 9.142 3.320 6.076) 11.468 1.569 ( -0.541 -4.045 0.971) 4.194 1.604 ( -1.124 -0.317 0.644) 1.334 1.755 ( 0.758 3.090 1.704) 3.609 2.032 ( -5.004 -2.319 -3.003) 6.279 2.216 ( 9.183 4.665 7.734) 12.880 2.327 ( 3.415 3.247 2.124) 5.169 2.859 ( -1.378 -0.963 -3.544) 3.922 2.893 ( -4.106 1.069 1.925) 4.660 3.043 ( 0.883 6.535 -7.064) 9.664 3.153 ( 4.529 -0.732 -4.522) 6.442 3.318 ( -0.496 -6.309 -0.529) 6.351 3.404 ( -2.397 -1.661 -1.804) 3.429 3.552 ( -0.215 -2.957 1.924) 3.535 3.790 ( -5.388 -1.430 -2.941) 6.303 3.884 ( 3.214 -2.429 -4.309) 5.899 3.942 ( 0.735 -0.696 0.700) 1.231 4.049 ( -3.261 -1.279 1.062) 3.660 4.149 ( -2.938 -1.875 1.362) 3.742 4.494 ( 0.114 1.685 0.768) 1.855 4.630 ( -2.875 4.387 -1.114) 5.362 5.065 ( -4.061 -6.066 2.757) 7.803 5.278 ( -2.134 -2.977 1.219) 3.860 5.361 ( -0.492 1.856 0.303) 1.944 5.508 ( 1.480 0.665 -3.422) 3.787 5.722 ( -1.704 4.153 -1.550) 4.750 5.767 ( 2.226 1.758 0.196) 2.843 5.983 ( -1.366 -5.763 3.696) 6.981 6.046 ( -2.982 -2.939 3.433) 5.414 6.517 ( 2.023 -1.260 -3.338) 4.102 6.642 ( 7.007 -1.312 -1.888) 7.375 6.952 ( -2.825 0.336 1.942) 3.445 6.991 ( -1.885 1.083 4.815) 5.284 7.244 ( 3.917 0.941 1.808) 4.415 7.361 ( -2.022 -0.806 -2.425) 3.258 7.536 ( 0.152 -0.320 0.153) 0.386 7.652 ( 0.291 -1.194 -2.490) 2.777 7.915 ( -0.115 1.111 -1.496) 1.867 8.053 ( -0.746 -0.832 0.002) 1.118 11.023 ( -1.113 0.344 0.099) 1.169 11.075 ( -0.240 -0.244 1.388) 1.430 12.732 ( -0.555 -0.814 0.350) 1.046 12.821 ( -1.957 -1.491 -0.336) 2.483 16.010 ( 0.657 -0.336 -1.734) 1.885 16.069 ( 2.479 -1.202 1.295) 3.045 16.398 ( -0.235 0.579 0.004) 0.625 16.447 ( -0.080 0.838 -0.367) 0.918 16.625 ( 4.422 0.504 -3.247) 5.509 16.754 ( 3.339 5.383 -2.786) 6.920 16.855 ( 1.029 1.256 1.315) 2.090 17.076 ( 0.213 -0.095 -0.871) 0.902 17.240 ( 0.509 0.482 4.195) 4.253 17.321 ( -2.529 3.194 1.289) 4.273 ======================= Grid point 12 (9/92) ======================= q-point: ( 0.33 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.846 ( 5.770 2.014 3.222) 6.908 0.908 ( 5.840 4.460 3.890) 8.315 0.970 ( -1.758 2.272 -4.455) 5.301 1.129 ( 0.694 -0.687 -0.621) 1.157 1.207 ( -1.781 -1.900 1.222) 2.877 1.280 ( 0.433 0.936 -0.584) 1.185 1.338 ( 0.350 1.235 -3.722) 3.937 1.500 ( -1.915 -4.322 -0.305) 4.737 1.562 ( -1.205 -0.755 -1.489) 2.059 1.676 ( 1.779 1.825 3.788) 4.566 1.810 ( 0.291 2.968 4.756) 5.614 1.951 ( -2.108 -2.218 0.179) 3.065 2.407 ( 3.464 3.423 3.912) 6.246 2.429 ( 6.409 4.552 1.185) 7.950 2.711 ( -3.227 2.185 -12.878) 13.455 2.927 ( 0.199 2.781 9.275) 9.685 2.986 ( 1.974 4.526 -5.011) 7.035 3.159 ( 1.832 0.556 -2.730) 3.335 3.338 ( -1.655 -2.678 -2.169) 3.823 3.378 ( 2.557 -6.145 1.140) 6.753 3.558 ( -3.092 -6.189 3.387) 7.703 3.670 ( -0.785 2.542 -3.140) 4.116 3.860 ( -7.536 -3.691 -0.988) 8.449 3.891 ( 0.653 -0.756 -2.548) 2.737 4.056 ( 2.119 0.661 0.089) 2.221 4.144 ( -0.691 -0.715 1.933) 2.174 4.489 ( -1.251 1.540 -0.491) 2.044 4.603 ( 0.073 3.929 0.909) 4.034 5.042 ( -1.920 -7.046 2.539) 7.732 5.236 ( -2.467 -4.203 -1.572) 5.121 5.364 ( -0.979 2.052 2.652) 3.494 5.494 ( 1.570 2.183 -3.214) 4.191 5.663 ( -2.797 5.436 -2.004) 6.434 5.802 ( 1.364 2.887 0.318) 3.209 5.957 ( -2.185 -6.187 1.606) 6.755 6.108 ( 0.918 -5.484 4.306) 7.033 6.480 ( -0.675 0.651 -3.463) 3.588 6.704 ( 3.774 0.138 -2.683) 4.633 6.941 ( -1.239 0.558 1.376) 1.934 7.025 ( -1.242 0.067 4.611) 4.776 7.278 ( -2.723 0.142 -2.148) 3.471 7.339 ( 4.004 0.417 1.913) 4.456 7.540 ( 0.473 -1.102 -0.251) 1.225 7.647 ( 1.044 -1.387 -1.587) 2.352 7.884 ( -0.454 1.707 -1.816) 2.533 8.054 ( -0.244 -1.048 0.865) 1.381 11.005 ( -1.070 0.368 0.062) 1.133 11.087 ( -0.180 -0.520 1.292) 1.404 12.727 ( -0.440 -1.202 0.329) 1.322 12.780 ( -1.778 -1.224 -0.869) 2.327 16.002 ( 0.611 0.351 -1.543) 1.696 16.119 ( 1.689 -1.639 0.866) 2.508 16.396 ( -0.068 0.320 0.093) 0.340 16.444 ( 0.126 0.570 -0.200) 0.617 16.650 ( 2.749 1.421 -2.586) 4.033 16.784 ( 2.190 5.153 -0.927) 5.675 16.896 ( 1.729 0.679 1.520) 2.400 17.068 ( 0.295 -0.424 -1.199) 1.305 17.277 ( -0.640 1.326 2.794) 3.158 17.318 ( -0.244 3.301 1.598) 3.676 ======================= Grid point 13 (10/92) ======================= q-point: ( 0.44 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.808 ( -2.075 0.716 -3.821) 4.406 1.016 ( 3.573 2.080 3.004) 5.111 1.043 ( 3.313 1.083 3.490) 4.932 1.108 ( -1.166 -0.090 -1.730) 2.088 1.217 ( -1.063 -1.766 -0.221) 2.073 1.271 ( -0.020 1.122 -1.416) 1.807 1.289 ( -0.192 -2.403 -1.199) 2.692 1.474 ( -1.191 -0.153 3.400) 3.606 1.529 ( -0.456 -2.714 -3.999) 4.854 1.729 ( 3.883 3.348 -0.163) 5.130 1.811 ( -4.765 2.193 2.300) 5.728 1.947 ( -0.164 -2.395 0.992) 2.597 2.463 ( 0.675 5.962 -0.083) 6.000 2.490 ( 0.161 5.287 -0.800) 5.350 2.577 ( 0.877 1.709 -3.502) 3.994 2.977 ( 1.278 3.309 -2.016) 4.080 3.049 ( 1.691 0.957 5.301) 5.646 3.160 ( 0.631 1.564 -0.729) 1.838 3.281 ( -1.562 -4.322 -1.261) 4.765 3.386 ( -0.811 -6.550 -0.547) 6.623 3.574 ( 0.953 0.500 1.303) 1.690 3.673 ( 0.652 -4.253 0.801) 4.377 3.735 ( -3.640 -1.961 -1.629) 4.444 3.871 ( -0.279 -0.608 -1.166) 1.344 4.083 ( 0.788 3.014 0.026) 3.115 4.152 ( -0.254 -1.478 0.636) 1.629 4.463 ( -0.615 4.051 -0.458) 4.122 4.623 ( 0.436 1.748 0.750) 1.951 5.058 ( 0.117 -6.206 2.080) 6.546 5.176 ( -1.437 -7.261 -2.016) 7.671 5.384 ( -0.319 1.124 2.097) 2.400 5.483 ( 0.653 4.224 -1.859) 4.661 5.601 ( -1.639 6.737 -1.016) 7.007 5.819 ( 0.412 3.425 0.101) 3.451 5.953 ( -0.365 -6.563 0.723) 6.613 6.148 ( 0.124 -6.592 1.312) 6.723 6.441 ( -0.445 2.138 -1.117) 2.452 6.720 ( 1.212 0.876 -1.257) 1.953 6.929 ( -0.856 1.404 0.090) 1.647 7.048 ( -0.385 -2.476 1.630) 2.989 7.243 ( -0.423 1.287 -0.062) 1.357 7.402 ( 1.507 -0.041 0.417) 1.564 7.547 ( 0.379 -0.981 0.170) 1.065 7.641 ( 0.095 -1.864 -0.788) 2.026 7.868 ( -0.018 1.805 -0.530) 1.881 8.058 ( -0.120 -0.669 0.313) 0.749 10.992 ( -0.447 0.276 0.029) 0.526 11.096 ( -0.058 -0.749 0.527) 0.918 12.725 ( -0.146 -1.336 0.146) 1.352 12.749 ( -0.754 -1.256 -0.452) 1.533 15.996 ( 0.254 0.826 -0.611) 1.058 16.144 ( 0.540 -1.751 0.269) 1.852 16.397 ( -0.008 0.198 0.050) 0.204 16.445 ( 0.079 0.199 -0.063) 0.223 16.661 ( 0.923 2.034 -0.876) 2.400 16.800 ( 0.636 4.698 -0.329) 4.753 16.936 ( 0.980 0.889 0.763) 1.527 17.060 ( 0.108 -0.783 -0.640) 1.016 17.291 ( -0.365 1.454 1.217) 1.931 17.332 ( 0.113 3.957 0.539) 3.995 ======================= Grid point 18 (11/92) ======================= q-point: ( 0.00 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.617 ( 0.000 13.840 0.000) 13.840 0.724 ( 0.000 12.459 0.000) 12.459 0.984 ( 0.000 3.539 0.000) 3.539 1.117 ( 0.000 12.025 0.000) 12.025 1.242 ( 0.000 2.182 0.000) 2.182 1.279 ( 0.000 -3.598 0.000) 3.598 1.347 ( 0.000 2.951 0.000) 2.951 1.432 ( 0.000 6.608 0.000) 6.608 1.601 ( 0.000 -1.171 0.000) 1.171 1.610 ( 0.000 1.219 0.000) 1.219 1.678 ( 0.000 -2.498 0.000) 2.498 2.047 ( 0.000 4.908 0.000) 4.908 2.166 ( 0.000 4.414 0.000) 4.414 2.349 ( 0.000 8.293 0.000) 8.293 2.826 ( 0.000 -7.160 0.000) 7.160 2.922 ( 0.000 -5.615 0.000) 5.615 2.939 ( 0.000 -1.247 0.000) 1.247 3.206 ( 0.000 -11.266 0.000) 11.266 3.322 ( 0.000 3.860 0.000) 3.860 3.413 ( 0.000 1.279 0.000) 1.279 3.573 ( 0.000 -2.922 0.000) 2.922 3.685 ( 0.000 -5.190 0.000) 5.190 3.849 ( 0.000 4.393 0.000) 4.393 3.941 ( 0.000 -1.141 0.000) 1.141 4.114 ( 0.000 -1.851 0.000) 1.851 4.138 ( 0.000 -4.750 0.000) 4.750 4.628 ( 0.000 3.965 0.000) 3.965 4.725 ( 0.000 0.670 0.000) 0.670 5.085 ( 0.000 -0.690 0.000) 0.690 5.220 ( 0.000 -3.879 0.000) 3.879 5.348 ( 0.000 1.052 0.000) 1.052 5.461 ( 0.000 -2.823 0.000) 2.823 5.754 ( 0.000 1.868 0.000) 1.868 5.832 ( 0.000 2.269 0.000) 2.269 5.909 ( 0.000 0.568 0.000) 0.568 6.137 ( 0.000 -7.553 0.000) 7.553 6.340 ( 0.000 0.041 0.000) 0.041 6.381 ( 0.000 0.160 0.000) 0.160 6.973 ( 0.000 3.793 0.000) 3.793 7.064 ( 0.000 -1.497 0.000) 1.497 7.191 ( 0.000 0.334 0.000) 0.334 7.328 ( 0.000 -1.002 0.000) 1.002 7.556 ( 0.000 2.866 0.000) 2.866 7.723 ( 0.000 -2.285 0.000) 2.285 7.871 ( 0.000 3.305 0.000) 3.305 8.122 ( 0.000 -3.998 0.000) 3.998 11.031 ( 0.000 -0.103 0.000) 0.103 11.057 ( 0.000 -0.389 0.000) 0.389 12.745 ( 0.000 -1.416 0.000) 1.416 12.780 ( 0.000 -1.838 0.000) 1.838 15.985 ( 0.000 -0.581 0.000) 0.581 15.996 ( 0.000 -1.259 0.000) 1.259 16.438 ( 0.000 1.767 0.000) 1.767 16.479 ( 0.000 0.702 0.000) 0.702 16.592 ( 0.000 2.468 0.000) 2.468 16.746 ( 0.000 -2.049 0.000) 2.049 16.922 ( 0.000 3.897 0.000) 3.897 17.071 ( 0.000 -0.778 0.000) 0.778 17.184 ( 0.000 7.027 0.000) 7.027 17.467 ( 0.000 -1.660 0.000) 1.660 ======================= Grid point 19 (12/92) ======================= q-point: ( 0.11 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.700 ( 5.859 10.224 2.398) 12.026 0.763 ( 4.514 11.587 0.822) 12.463 1.022 ( 2.000 -0.748 2.079) 2.980 1.153 ( -1.119 3.541 -0.876) 3.816 1.221 ( 1.647 4.591 2.092) 5.307 1.268 ( -2.168 -2.517 1.813) 3.785 1.360 ( 2.307 5.637 0.520) 6.113 1.487 ( 3.453 7.238 0.645) 8.045 1.565 ( -3.517 0.437 -0.722) 3.617 1.595 ( -0.831 -1.086 0.220) 1.385 1.713 ( 1.980 -2.310 2.142) 3.720 2.058 ( -1.076 -3.401 -0.980) 3.700 2.195 ( 4.692 12.086 1.643) 13.069 2.364 ( 1.030 7.380 1.381) 7.579 2.844 ( 0.212 -5.532 -0.510) 5.560 2.900 ( 1.313 -4.679 -0.502) 4.885 2.974 ( 2.377 -2.445 1.367) 3.674 3.226 ( 0.465 -7.941 -0.292) 7.959 3.275 ( -0.668 4.697 -3.288) 5.773 3.421 ( -0.747 -0.593 -1.157) 1.500 3.535 ( -1.544 -1.108 -1.869) 2.665 3.715 ( 3.284 -6.226 -0.452) 7.053 3.836 ( -0.520 2.443 0.314) 2.517 3.976 ( 2.245 0.003 -0.497) 2.300 4.048 ( -6.297 -3.600 -0.164) 7.255 4.130 ( -1.952 -3.419 1.055) 4.076 4.591 ( -1.611 4.531 -2.248) 5.308 4.723 ( -1.607 0.624 1.001) 1.994 5.057 ( -3.550 -0.157 0.985) 3.687 5.212 ( -0.703 -3.825 0.434) 3.914 5.367 ( 2.141 0.052 -1.720) 2.747 5.485 ( 2.737 -2.279 -0.160) 3.565 5.750 ( 0.372 -0.006 -1.563) 1.607 5.817 ( -0.970 2.378 -0.330) 2.589 5.908 ( -1.840 1.008 3.814) 4.353 6.056 ( -7.520 -5.623 0.630) 9.411 6.430 ( 6.539 -1.571 0.438) 6.739 6.462 ( 7.591 -1.256 0.872) 7.743 6.987 ( -0.276 3.240 2.543) 4.128 7.032 ( -2.869 0.048 -0.361) 2.892 7.200 ( 1.709 0.618 -0.026) 1.818 7.342 ( 1.851 -2.063 -1.405) 3.108 7.552 ( -0.937 1.985 0.783) 2.330 7.680 ( -3.066 -2.016 -1.937) 4.149 7.907 ( 1.957 2.082 1.800) 3.377 8.083 ( -1.617 -2.457 -3.013) 4.211 11.034 ( -0.320 -0.035 0.600) 0.681 11.061 ( -0.131 -0.399 0.741) 0.852 12.730 ( -0.984 -0.751 -0.162) 1.248 12.792 ( -0.129 -2.584 0.734) 2.690 15.997 ( 0.801 -0.874 -0.247) 1.211 16.005 ( 1.518 -0.860 0.093) 1.747 16.429 ( -0.645 1.547 -0.285) 1.700 16.471 ( -0.392 0.632 -0.487) 0.889 16.612 ( 2.690 2.372 -0.730) 3.661 16.763 ( 2.578 -1.418 -0.920) 3.083 16.918 ( 0.407 4.667 -1.144) 4.822 17.073 ( 0.175 -0.703 -0.157) 0.741 17.220 ( 1.455 5.382 3.293) 6.475 17.424 ( -3.083 0.372 -1.102) 3.296 ======================= Grid point 20 (13/92) ======================= q-point: ( 0.22 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.818 ( 5.992 7.608 0.642) 9.706 0.883 ( 4.177 7.398 5.400) 10.067 1.059 ( 0.029 -1.269 -0.927) 1.571 1.108 ( -0.746 1.340 -0.171) 1.543 1.225 ( -2.596 -3.041 0.681) 4.056 1.269 ( 0.572 0.695 -0.292) 0.946 1.429 ( -1.659 2.979 -0.174) 3.414 1.471 ( -0.382 -1.237 -6.304) 6.435 1.529 ( 2.469 -0.011 1.356) 2.816 1.640 ( 0.599 4.850 6.943) 8.490 1.781 ( 2.895 -0.072 2.627) 3.910 1.977 ( -4.295 -3.144 -2.262) 5.783 2.355 ( 9.784 9.247 1.839) 13.587 2.420 ( 1.804 6.504 4.098) 7.896 2.821 ( 1.214 -2.730 -4.538) 5.434 2.936 ( -0.274 1.923 4.644) 5.034 3.077 ( 8.143 -5.211 -0.279) 9.671 3.196 ( 0.037 -3.145 -2.685) 4.135 3.207 ( -4.028 5.174 -4.577) 7.997 3.366 ( -1.411 -1.484 -2.704) 3.392 3.498 ( -2.270 -1.299 -0.327) 2.636 3.769 ( 3.060 -4.021 -1.497) 5.270 3.816 ( -2.115 -2.344 -1.091) 3.340 3.910 ( -7.329 -3.559 0.273) 8.151 4.006 ( 1.982 -0.462 -1.336) 2.435 4.123 ( -1.086 -1.710 2.781) 3.440 4.547 ( -1.609 3.704 -0.285) 4.049 4.694 ( -2.094 1.447 0.050) 2.546 5.005 ( -3.058 0.286 0.071) 3.072 5.203 ( -0.730 -4.003 -0.530) 4.104 5.373 ( 0.855 0.226 -0.989) 1.327 5.523 ( 1.395 0.272 -0.292) 1.451 5.742 ( 0.661 -2.363 -0.140) 2.458 5.811 ( 0.522 0.218 -0.384) 0.684 5.897 ( -5.055 -0.974 1.602) 5.392 5.982 ( -2.497 -2.690 3.973) 5.409 6.499 ( 3.117 -0.320 -2.041) 3.740 6.605 ( 6.826 -2.433 0.372) 7.256 6.980 ( -2.161 2.285 0.180) 3.150 7.021 ( -0.364 1.871 2.880) 3.453 7.255 ( 3.528 0.090 1.602) 3.876 7.332 ( -1.051 -2.147 -1.991) 3.111 7.536 ( -1.407 0.397 -0.253) 1.484 7.620 ( -0.615 -1.926 -1.484) 2.508 7.942 ( 0.423 1.570 -0.328) 1.659 8.032 ( -0.964 -1.288 -0.823) 1.808 11.029 ( -0.918 0.348 0.381) 1.053 11.067 ( -0.368 -0.558 1.092) 1.281 12.714 ( -0.876 -0.764 0.129) 1.169 12.781 ( -1.399 -2.432 -0.268) 2.818 16.004 ( 1.187 -0.182 -1.103) 1.630 16.044 ( 2.135 -1.339 0.692) 2.614 16.416 ( -0.454 1.236 -0.210) 1.333 16.460 ( -0.112 0.382 -0.600) 0.720 16.654 ( 3.357 2.348 -1.188) 4.265 16.808 ( 3.496 -0.478 -0.168) 3.533 16.912 ( 0.272 4.653 -0.866) 4.740 17.070 ( 0.138 -0.600 -0.895) 1.087 17.288 ( 1.587 4.062 3.194) 5.405 17.378 ( -1.428 2.481 0.666) 2.939 ======================= Grid point 21 (14/92) ======================= q-point: ( 0.33 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.888 ( -0.425 2.642 0.758) 2.781 0.998 ( 4.212 4.582 1.774) 6.471 1.030 ( 0.161 3.188 -1.158) 3.396 1.113 ( -0.341 -1.024 1.241) 1.644 1.181 ( -2.593 -0.783 1.528) 3.110 1.280 ( -0.310 -0.980 0.088) 1.032 1.342 ( -0.952 -0.897 -7.879) 7.987 1.402 ( -0.328 -5.057 -2.946) 5.862 1.568 ( -1.435 1.497 2.835) 3.513 1.726 ( 1.453 1.585 3.611) 4.203 1.854 ( 0.865 1.814 2.563) 3.257 1.912 ( -1.692 -1.047 0.456) 2.041 2.499 ( 1.621 5.796 3.049) 6.746 2.512 ( 7.091 3.869 0.061) 8.078 2.784 ( 1.601 4.334 -6.508) 7.981 3.004 ( 0.132 4.427 6.211) 7.629 3.061 ( -2.430 2.602 -5.500) 6.551 3.164 ( 2.596 -0.794 -2.421) 3.638 3.226 ( 2.662 -7.466 1.610) 8.089 3.308 ( -1.712 -0.617 -3.460) 3.909 3.455 ( -2.872 -2.891 2.796) 4.942 3.708 ( -4.389 -0.575 -2.921) 5.304 3.764 ( -3.318 -4.184 -1.239) 5.482 3.867 ( 2.096 -2.136 -0.685) 3.070 4.044 ( 3.620 -0.734 -0.995) 3.825 4.140 ( -1.244 -0.763 2.731) 3.097 4.538 ( 0.008 3.415 1.000) 3.559 4.669 ( -1.183 1.940 0.713) 2.381 4.964 ( -1.093 -0.305 -0.452) 1.222 5.158 ( -2.485 -3.572 -2.849) 5.201 5.377 ( -0.236 0.652 0.847) 1.095 5.535 ( 0.973 1.880 -0.158) 2.123 5.764 ( 0.498 1.986 0.542) 2.118 5.803 ( -1.725 -7.810 -0.434) 8.010 5.841 ( -1.447 1.066 1.440) 2.303 6.006 ( -0.346 -3.759 2.687) 4.633 6.503 ( 0.679 1.875 -1.957) 2.794 6.690 ( 3.819 -1.883 -0.755) 4.324 6.957 ( -1.355 1.255 0.878) 2.045 7.030 ( -0.821 0.359 -0.280) 0.939 7.285 ( -2.092 0.583 0.498) 2.228 7.341 ( 3.564 -0.306 1.890) 4.046 7.518 ( 0.233 -0.829 -0.713) 1.118 7.610 ( 0.098 -2.451 -0.889) 2.609 7.924 ( -0.400 2.209 -1.381) 2.636 8.030 ( -0.240 -1.418 1.133) 1.831 11.014 ( -1.038 0.650 0.087) 1.228 11.073 ( -0.367 -0.948 0.941) 1.385 12.702 ( -0.673 -1.141 0.106) 1.328 12.747 ( -1.617 -2.027 -0.784) 2.709 16.012 ( 1.094 0.678 -1.001) 1.631 16.084 ( 1.618 -1.813 0.463) 2.474 16.410 ( -0.181 1.013 -0.053) 1.030 16.453 ( -0.044 0.157 -0.488) 0.515 16.691 ( 2.393 2.725 -0.952) 3.749 16.871 ( 3.336 0.374 0.535) 3.399 16.906 ( -0.025 3.085 -0.398) 3.111 17.058 ( 0.065 -0.677 -1.312) 1.478 17.335 ( 0.468 4.393 2.065) 4.877 17.391 ( 0.759 3.702 1.649) 4.123 ======================= Grid point 22 (15/92) ======================= q-point: ( 0.44 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.838 ( -1.941 2.739 -1.866) 3.841 1.044 ( 0.287 0.332 2.156) 2.201 1.068 ( 1.606 0.819 0.674) 1.924 1.111 ( 0.367 1.281 -0.338) 1.375 1.171 ( -2.102 -3.277 -1.017) 4.024 1.255 ( 0.348 -1.111 -0.299) 1.202 1.277 ( -0.130 -0.809 -1.576) 1.777 1.380 ( 0.011 -5.596 -1.166) 5.716 1.574 ( -0.434 3.872 1.019) 4.028 1.784 ( 2.268 0.590 1.644) 2.862 1.850 ( -2.314 2.446 -0.145) 3.370 1.908 ( -0.615 -0.935 0.936) 1.459 2.539 ( 1.387 4.105 0.480) 4.360 2.599 ( 2.515 2.645 0.316) 3.663 2.708 ( -1.924 11.488 -3.707) 12.224 3.009 ( 1.086 -0.474 -1.325) 1.778 3.087 ( 1.380 2.471 2.502) 3.778 3.169 ( -0.427 -3.393 -0.469) 3.452 3.218 ( -1.963 0.266 -0.009) 1.981 3.267 ( 0.412 -5.121 -1.710) 5.415 3.488 ( 0.535 -6.865 3.704) 7.819 3.598 ( -3.283 -3.205 -2.279) 5.122 3.747 ( 1.341 2.614 -0.842) 3.056 3.872 ( -0.273 0.437 -0.826) 0.973 4.095 ( 3.407 -1.962 -1.043) 4.067 4.137 ( -2.216 -0.310 1.791) 2.866 4.558 ( 0.651 5.175 0.658) 5.257 4.665 ( -0.403 2.101 0.436) 2.184 4.972 ( 1.332 -2.232 1.432) 2.967 5.068 ( -3.024 -3.774 -3.322) 5.867 5.384 ( -0.190 0.099 0.700) 0.732 5.551 ( 0.628 3.304 0.024) 3.363 5.743 ( -1.457 3.687 -0.102) 3.966 5.797 ( 0.056 -6.152 0.427) 6.167 5.849 ( 0.323 -1.513 0.225) 1.564 6.023 ( -0.101 -4.994 0.841) 5.065 6.492 ( 0.028 3.265 -0.618) 3.323 6.725 ( 1.362 -0.946 -0.464) 1.722 6.953 ( -0.584 0.643 1.274) 1.542 6.995 ( -0.784 -2.139 -1.964) 3.008 7.282 ( -0.370 2.621 1.285) 2.942 7.399 ( 1.342 -0.287 0.510) 1.464 7.524 ( 0.599 -1.299 0.017) 1.431 7.595 ( -0.435 -2.725 -0.641) 2.833 7.911 ( -0.048 2.467 -0.361) 2.493 8.038 ( -0.066 -1.461 0.508) 1.549 11.001 ( -0.456 0.744 -0.002) 0.872 11.076 ( -0.148 -1.292 0.362) 1.350 12.696 ( -0.200 -1.447 0.073) 1.462 12.718 ( -0.759 -1.812 -0.445) 2.015 16.017 ( 0.452 1.231 -0.393) 1.370 16.106 ( 0.571 -1.984 0.139) 2.069 16.408 ( -0.041 0.898 0.006) 0.899 16.448 ( -0.030 0.007 -0.196) 0.198 16.712 ( 0.858 3.102 -0.308) 3.233 16.898 ( 0.132 4.679 -0.404) 4.698 16.925 ( 1.231 -2.104 0.685) 2.532 17.046 ( -0.010 -0.723 -0.689) 0.999 17.357 ( 0.144 5.024 0.837) 5.095 17.418 ( 0.488 4.335 0.670) 4.414 ======================= Grid point 27 (16/92) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.828 ( 0.000 7.762 0.000) 7.762 0.940 ( 0.000 -4.366 0.000) 4.366 0.940 ( 0.000 10.711 0.000) 10.711 1.129 ( 0.000 -8.477 0.000) 8.477 1.295 ( 0.000 2.646 0.000) 2.646 1.308 ( 0.000 2.559 0.000) 2.559 1.445 ( 0.000 6.186 0.000) 6.186 1.546 ( 0.000 3.292 0.000) 3.292 1.551 ( 0.000 -4.032 0.000) 4.032 1.611 ( 0.000 -3.954 0.000) 3.954 1.730 ( 0.000 11.566 0.000) 11.566 1.945 ( 0.000 -9.497 0.000) 9.497 2.444 ( 0.000 15.868 0.000) 15.868 2.536 ( 0.000 11.712 0.000) 11.712 2.669 ( 0.000 -9.136 0.000) 9.136 2.785 ( 0.000 -10.228 0.000) 10.228 2.920 ( 0.000 0.019 0.000) 0.019 2.989 ( 0.000 -8.715 0.000) 8.715 3.379 ( 0.000 2.374 0.000) 2.374 3.421 ( 0.000 -1.405 0.000) 1.405 3.537 ( 0.000 0.849 0.000) 0.849 3.594 ( 0.000 -4.165 0.000) 4.165 3.933 ( 0.000 3.192 0.000) 3.192 3.944 ( 0.000 0.917 0.000) 0.917 4.061 ( 0.000 -2.313 0.000) 2.313 4.071 ( 0.000 -2.283 0.000) 2.283 4.692 ( 0.000 2.385 0.000) 2.385 4.722 ( 0.000 -0.850 0.000) 0.850 5.109 ( 0.000 2.569 0.000) 2.569 5.162 ( 0.000 -2.669 0.000) 2.669 5.368 ( 0.000 1.247 0.000) 1.247 5.405 ( 0.000 -2.629 0.000) 2.629 5.782 ( 0.000 2.032 0.000) 2.032 5.834 ( 0.000 -2.252 0.000) 2.252 5.949 ( 0.000 2.842 0.000) 2.842 6.014 ( 0.000 -4.502 0.000) 4.502 6.350 ( 0.000 1.002 0.000) 1.002 6.372 ( 0.000 -1.015 0.000) 1.015 7.023 ( 0.000 1.489 0.000) 1.489 7.043 ( 0.000 -0.861 0.000) 0.861 7.224 ( 0.000 2.913 0.000) 2.913 7.286 ( 0.000 -3.061 0.000) 3.061 7.616 ( 0.000 3.135 0.000) 3.135 7.674 ( 0.000 -2.822 0.000) 2.822 7.946 ( 0.000 4.396 0.000) 4.396 8.036 ( 0.000 -4.715 0.000) 4.715 11.035 ( 0.000 0.451 0.000) 0.451 11.046 ( 0.000 -0.666 0.000) 0.666 12.731 ( 0.000 0.050 0.000) 0.050 12.747 ( 0.000 -1.471 0.000) 1.471 15.976 ( 0.000 -0.292 0.000) 0.292 15.978 ( 0.000 -0.566 0.000) 0.566 16.469 ( 0.000 1.324 0.000) 1.324 16.485 ( 0.000 -0.238 0.000) 0.238 16.643 ( 0.000 2.839 0.000) 2.839 16.698 ( 0.000 -2.793 0.000) 2.793 16.995 ( 0.000 3.387 0.000) 3.387 17.046 ( 0.000 -1.933 0.000) 1.933 17.317 ( 0.000 6.299 0.000) 6.299 17.416 ( 0.000 -3.838 0.000) 3.838 ======================= Grid point 28 (17/92) ======================= q-point: ( 0.11 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.864 ( 2.938 6.667 1.575) 7.454 0.954 ( 2.487 3.931 -0.168) 4.655 0.974 ( 0.301 1.367 3.733) 3.986 1.127 ( -0.788 -7.240 0.617) 7.309 1.235 ( -2.702 3.585 -2.276) 5.034 1.288 ( -1.797 -0.844 -0.816) 2.147 1.489 ( 3.184 5.773 2.052) 6.905 1.527 ( -0.760 1.401 -2.634) 3.079 1.559 ( -1.165 -1.456 -1.998) 2.734 1.633 ( 1.528 -5.081 1.140) 5.427 1.746 ( 1.184 11.457 2.792) 11.851 1.938 ( -0.764 -8.141 -0.280) 8.182 2.483 ( 4.419 14.860 -1.003) 15.535 2.523 ( 0.392 8.596 -0.839) 8.646 2.708 ( 1.328 -7.577 2.648) 8.135 2.766 ( 3.555 -9.717 -3.457) 10.909 2.965 ( 1.994 1.880 3.659) 4.571 3.057 ( 2.925 -7.599 3.872) 9.017 3.358 ( 0.390 3.195 -2.804) 4.269 3.404 ( -0.911 -1.625 -2.166) 2.857 3.537 ( 0.162 1.649 -0.735) 1.813 3.602 ( 1.904 -4.929 -1.542) 5.504 3.896 ( -3.698 3.295 0.531) 4.981 3.957 ( -2.626 -2.876 0.562) 3.934 4.015 ( -1.960 1.447 -0.447) 2.477 4.065 ( -1.064 -3.190 0.685) 3.432 4.668 ( -1.866 3.184 -0.899) 3.798 4.713 ( -1.658 -1.497 0.690) 2.338 5.089 ( -2.210 2.878 0.289) 3.641 5.148 ( -1.196 -3.045 0.045) 3.272 5.379 ( 2.257 1.691 -1.639) 3.262 5.430 ( 3.180 -3.171 -0.294) 4.500 5.760 ( -1.107 1.803 -2.253) 3.090 5.815 ( -0.958 -2.764 -2.400) 3.784 5.939 ( -2.650 1.793 3.308) 4.602 5.974 ( -5.208 -2.334 3.020) 6.457 6.419 ( 6.024 0.389 0.583) 6.065 6.438 ( 6.333 -1.278 0.381) 6.472 7.031 ( -0.254 1.233 1.638) 2.066 7.040 ( -0.839 0.285 0.828) 1.212 7.228 ( 1.129 2.496 -0.666) 2.820 7.288 ( 0.998 -3.303 -1.325) 3.696 7.594 ( -2.041 2.280 -0.263) 3.071 7.638 ( -2.809 -2.292 -1.211) 3.822 7.960 ( 0.927 3.196 0.419) 3.354 8.025 ( -0.262 -3.388 -1.343) 3.654 11.038 ( -0.234 0.471 0.720) 0.892 11.050 ( -0.173 -0.680 0.731) 1.014 12.725 ( -0.648 0.421 0.034) 0.773 12.748 ( -0.312 -1.890 0.246) 1.931 15.986 ( 1.065 -0.200 -0.105) 1.089 15.990 ( 1.368 -0.595 0.076) 1.494 16.458 ( -0.758 1.283 -0.457) 1.559 16.474 ( -0.632 -0.342 -0.526) 0.891 16.664 ( 2.331 2.916 -0.129) 3.735 16.720 ( 2.357 -2.789 -0.002) 3.652 16.998 ( 0.583 3.519 -0.486) 3.600 17.050 ( 0.456 -1.828 -0.292) 1.907 17.329 ( 0.632 5.197 1.233) 5.378 17.404 ( -0.846 -2.475 -0.090) 2.617 ======================= Grid point 29 (18/92) ======================= q-point: ( 0.22 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( 2.149 5.001 2.204) 5.873 1.008 ( 2.230 3.293 1.949) 4.429 1.020 ( 0.183 -0.225 3.175) 3.188 1.116 ( -0.922 -3.757 0.290) 3.879 1.194 ( -1.463 2.639 1.531) 3.383 1.258 ( -1.071 -2.409 0.079) 2.638 1.433 ( -3.238 0.311 -6.201) 7.003 1.459 ( -2.171 -1.613 -8.626) 9.040 1.577 ( 1.731 4.844 3.442) 6.189 1.668 ( 0.054 -3.429 2.195) 4.072 1.825 ( 3.208 5.056 3.135) 6.759 1.913 ( -1.335 -3.756 -0.153) 3.989 2.525 ( 4.008 7.365 -2.161) 8.658 2.567 ( 1.737 6.115 1.902) 6.635 2.760 ( 4.681 -1.418 0.343) 4.903 2.868 ( 6.116 -8.759 3.296) 11.180 3.044 ( 3.108 2.917 1.496) 4.518 3.115 ( 1.785 -3.947 -1.276) 4.516 3.320 ( -3.132 4.034 -2.295) 5.599 3.355 ( -0.747 -0.209 -2.534) 2.650 3.517 ( -0.899 3.093 -1.526) 3.564 3.625 ( 2.658 -7.924 -1.460) 8.484 3.815 ( -5.113 0.868 -0.588) 5.219 3.846 ( -6.793 -2.410 -0.480) 7.224 4.028 ( 1.921 2.038 -0.179) 2.806 4.076 ( 0.624 -2.811 1.571) 3.280 4.624 ( -2.486 3.845 0.354) 4.592 4.683 ( -2.514 -2.131 0.812) 3.394 5.055 ( -1.164 3.830 -1.264) 4.198 5.129 ( -0.296 -3.749 -1.312) 3.983 5.406 ( 1.826 3.484 0.062) 3.934 5.490 ( 2.639 -3.979 1.237) 4.932 5.705 ( -1.885 0.176 -1.687) 2.536 5.752 ( -2.441 -3.956 -2.340) 5.204 5.928 ( -2.932 1.953 2.452) 4.292 5.954 ( -1.998 -0.858 3.628) 4.230 6.511 ( 4.467 1.558 -0.684) 4.780 6.554 ( 5.845 -2.667 0.325) 6.433 7.027 ( -1.109 2.237 -0.349) 2.521 7.048 ( -0.104 0.401 0.739) 0.847 7.257 ( 2.213 0.548 1.246) 2.599 7.286 ( 0.277 -2.305 -0.490) 2.373 7.552 ( -2.144 1.234 -0.667) 2.562 7.582 ( -1.610 -1.899 -0.933) 2.659 7.974 ( 0.182 1.669 -0.095) 1.682 8.005 ( -0.464 -1.530 -0.534) 1.686 11.039 ( -0.701 0.667 0.674) 1.179 11.054 ( -0.531 -0.815 0.872) 1.307 12.711 ( -0.986 0.545 -0.067) 1.128 12.736 ( -1.089 -2.010 -0.212) 2.296 16.006 ( 1.629 0.403 -0.407) 1.727 16.020 ( 1.903 -1.041 0.154) 2.175 16.441 ( -0.509 1.210 -0.439) 1.384 16.459 ( -0.370 -0.531 -0.596) 0.880 16.708 ( 2.893 3.108 -0.131) 4.248 16.769 ( 2.976 -2.968 0.370) 4.220 16.997 ( 0.397 3.697 -1.217) 3.912 17.049 ( 0.322 -1.739 -1.097) 2.082 17.367 ( 1.518 3.462 2.048) 4.299 17.403 ( 0.368 -0.165 1.147) 1.215 ======================= Grid point 30 (19/92) ======================= q-point: ( 0.33 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( -2.659 4.269 2.123) 5.459 1.030 ( -2.619 -2.338 3.335) 4.843 1.085 ( 3.260 2.248 1.407) 4.203 1.103 ( -0.427 0.179 -1.557) 1.625 1.187 ( -2.617 2.020 1.441) 3.606 1.244 ( -1.980 -2.790 1.025) 3.571 1.315 ( -0.557 -1.103 -7.740) 7.838 1.326 ( 0.229 -2.382 -7.897) 8.252 1.620 ( -0.547 3.711 3.620) 5.213 1.697 ( -0.114 -3.716 3.453) 5.075 1.893 ( 1.583 1.828 0.536) 2.477 1.910 ( 0.226 0.042 0.835) 0.866 2.582 ( 4.068 3.088 -0.458) 5.128 2.595 ( 0.795 2.675 0.381) 2.816 2.861 ( 5.709 4.644 -0.271) 7.364 2.991 ( 2.541 -7.592 2.731) 8.459 3.081 ( 0.110 1.631 -0.713) 1.783 3.113 ( 2.000 -1.437 -2.169) 3.282 3.219 ( -4.226 4.071 -1.869) 6.159 3.287 ( -3.228 -2.448 -3.194) 5.159 3.479 ( -2.870 4.870 0.726) 5.699 3.602 ( -4.031 -6.996 -1.135) 8.153 3.766 ( 1.501 1.622 -1.145) 2.489 3.811 ( 3.197 -3.050 -0.324) 4.430 4.055 ( 1.483 1.807 -0.375) 2.368 4.103 ( 0.076 -2.698 1.349) 3.017 4.609 ( -0.455 3.604 1.865) 4.083 4.665 ( -1.105 -1.928 1.926) 2.940 5.014 ( -0.897 4.215 -2.861) 5.173 5.092 ( -1.411 -3.607 -3.224) 5.039 5.428 ( -0.380 4.896 1.151) 5.044 5.536 ( 0.741 -3.850 2.085) 4.440 5.670 ( -1.058 -1.704 -0.858) 2.181 5.719 ( 0.951 -4.575 0.244) 4.680 5.906 ( -2.043 3.658 0.886) 4.282 5.960 ( -1.124 -2.073 1.761) 2.943 6.555 ( 2.039 3.531 -0.709) 4.139 6.631 ( 3.229 -3.927 0.045) 5.084 6.991 ( -1.453 2.151 -1.649) 3.076 7.026 ( -1.064 -1.085 -2.649) 3.054 7.302 ( 0.221 1.169 2.800) 3.042 7.327 ( 2.545 -1.184 2.687) 3.886 7.520 ( -0.487 1.153 -0.862) 1.519 7.559 ( -0.508 -2.613 -0.671) 2.745 7.965 ( -0.373 2.005 -0.440) 2.086 8.000 ( -0.337 -1.657 0.619) 1.801 11.030 ( -0.860 1.019 0.296) 1.366 11.052 ( -0.618 -1.175 0.590) 1.453 12.692 ( -0.956 0.179 -0.221) 0.998 12.710 ( -1.294 -1.619 -0.557) 2.146 16.028 ( 1.440 1.026 -0.419) 1.817 16.052 ( 1.566 -1.458 0.048) 2.140 16.431 ( -0.222 1.103 -0.244) 1.151 16.448 ( -0.180 -0.594 -0.428) 0.754 16.752 ( 2.168 3.481 0.039) 4.101 16.822 ( 2.303 -3.609 0.718) 4.341 16.987 ( 0.308 3.645 -1.259) 3.868 17.038 ( 0.157 -1.646 -1.365) 2.144 17.416 ( 1.411 3.204 1.753) 3.915 17.440 ( 1.469 0.859 1.704) 2.408 ======================= Grid point 31 (20/92) ======================= q-point: ( 0.44 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.920 ( -2.165 5.590 0.048) 5.994 1.024 ( -2.080 -3.744 3.168) 5.327 1.066 ( -0.315 0.599 -2.101) 2.208 1.100 ( -1.522 -3.155 -2.024) 4.045 1.166 ( 0.755 3.566 0.240) 3.653 1.229 ( -0.708 -2.438 1.070) 2.755 1.259 ( 0.911 0.162 -2.675) 2.830 1.292 ( 0.610 -3.325 -2.062) 3.960 1.656 ( 0.320 4.500 2.059) 4.959 1.740 ( 0.506 -3.944 2.307) 4.597 1.899 ( 0.260 1.712 -1.118) 2.061 1.910 ( -1.020 0.362 0.414) 1.159 2.615 ( 1.659 3.134 -0.305) 3.559 2.638 ( 1.345 0.877 0.790) 1.790 2.898 ( -0.029 7.040 -1.905) 7.293 2.982 ( -0.780 -2.227 -0.666) 2.452 3.096 ( 1.642 0.220 0.211) 1.670 3.149 ( 2.417 -4.407 1.122) 5.150 3.156 ( -2.642 1.674 -0.067) 3.129 3.207 ( -2.232 -3.646 -2.231) 4.822 3.449 ( -1.542 2.858 1.050) 3.412 3.527 ( -2.019 -4.199 -1.236) 4.820 3.809 ( 2.820 3.508 -0.010) 4.501 3.865 ( 1.879 -1.729 -0.131) 2.557 4.069 ( 0.960 0.291 -0.430) 1.091 4.105 ( -0.938 -2.563 0.600) 2.794 4.643 ( 1.071 3.365 1.775) 3.952 4.682 ( 0.049 -0.587 1.339) 1.462 4.974 ( -0.089 1.865 -1.215) 2.228 5.016 ( -2.334 -2.169 -2.984) 4.366 5.427 ( -0.477 4.895 0.458) 4.939 5.560 ( -0.081 -6.914 0.872) 6.970 5.658 ( 0.128 2.298 -0.087) 2.303 5.753 ( 1.059 -5.897 0.857) 6.052 5.884 ( -0.872 4.840 -0.044) 4.918 5.958 ( -0.463 -2.964 0.434) 3.031 6.571 ( 0.575 4.900 -0.177) 4.937 6.669 ( 1.161 -4.651 0.132) 4.796 6.958 ( -0.751 0.604 -0.315) 1.014 6.975 ( -0.794 -0.807 -2.270) 2.536 7.338 ( 0.239 2.961 1.821) 3.484 7.384 ( 1.074 -1.555 1.246) 2.264 7.511 ( 0.187 0.465 -0.339) 0.606 7.543 ( -0.391 -2.490 -0.568) 2.584 7.958 ( -0.109 2.443 -0.046) 2.446 8.003 ( -0.113 -2.111 0.347) 2.142 11.021 ( -0.388 1.286 0.060) 1.345 11.049 ( -0.271 -1.515 0.193) 1.551 12.678 ( -0.372 -0.264 -0.105) 0.468 12.687 ( -0.600 -1.190 -0.314) 1.369 16.042 ( 0.578 1.371 -0.172) 1.498 16.071 ( 0.594 -1.637 -0.003) 1.742 16.427 ( -0.063 0.996 -0.069) 1.000 16.443 ( -0.073 -0.553 -0.158) 0.580 16.778 ( 0.788 3.762 0.074) 3.845 16.855 ( 0.773 -4.084 0.362) 4.173 16.982 ( 0.243 3.357 -0.486) 3.401 17.027 ( 0.063 -1.439 -0.624) 1.570 17.449 ( 0.608 3.589 0.714) 3.710 17.475 ( 0.706 1.022 0.715) 1.433 ======================= Grid point 63 (21/92) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.460 ( -4.012 0.000 19.708) 20.113 0.464 ( -5.171 0.000 19.712) 20.379 0.751 ( 3.291 0.000 31.353) 31.525 1.115 ( -0.816 0.000 2.178) 2.326 1.175 ( -1.113 0.000 -3.627) 3.794 1.214 ( 1.463 0.000 -0.312) 1.496 1.311 ( 0.904 0.000 -0.775) 1.191 1.416 ( -3.901 0.000 -0.032) 3.901 1.546 ( 1.428 0.000 -3.309) 3.604 1.666 ( -1.407 0.000 1.038) 1.748 1.717 ( 0.283 0.000 -0.701) 0.756 2.173 ( -0.287 0.000 -6.297) 6.303 2.241 ( -3.207 0.000 6.623) 7.358 2.258 ( -1.173 0.000 3.257) 3.461 2.829 ( 6.862 0.000 -8.282) 10.755 2.949 ( 0.861 0.000 -6.266) 6.325 3.002 ( 0.649 0.000 -4.572) 4.618 3.163 ( -4.057 0.000 -3.403) 5.295 3.307 ( 9.943 0.000 3.057) 10.402 3.486 ( -2.797 0.000 -5.511) 6.180 3.546 ( -2.902 0.000 5.025) 5.803 3.815 ( 4.315 0.000 -1.361) 4.524 3.950 ( -20.344 0.000 -0.726) 20.357 3.973 ( 6.266 0.000 -2.364) 6.697 4.124 ( -2.495 0.000 0.559) 2.557 4.241 ( 2.577 0.000 -1.421) 2.943 4.462 ( -0.185 0.000 2.241) 2.249 4.736 ( -3.302 0.000 -3.097) 4.528 5.232 ( 2.114 0.000 3.263) 3.888 5.304 ( 1.361 0.000 2.323) 2.693 5.437 ( -2.454 0.000 -0.663) 2.542 5.478 ( -1.589 0.000 -0.807) 1.782 5.641 ( 2.216 0.000 0.331) 2.240 5.713 ( -0.853 0.000 -2.197) 2.356 6.009 ( 1.618 0.000 4.251) 4.548 6.292 ( -5.566 0.000 -2.253) 6.004 6.367 ( 3.865 0.000 1.560) 4.168 6.389 ( 4.416 0.000 1.887) 4.802 7.079 ( 0.395 0.000 -1.222) 1.284 7.155 ( -7.453 0.000 -2.966) 8.021 7.202 ( -3.269 0.000 3.406) 4.721 7.281 ( 6.080 0.000 1.687) 6.310 7.522 ( 1.405 0.000 1.175) 1.831 7.741 ( -2.300 0.000 -3.430) 4.130 7.904 ( 12.131 0.000 0.316) 12.135 7.935 ( -1.651 0.000 -0.270) 1.672 11.051 ( -0.729 0.000 0.856) 1.124 11.067 ( 0.642 0.000 0.458) 0.789 12.745 ( -0.015 0.000 0.781) 0.781 12.861 ( 2.741 0.000 -1.635) 3.192 16.000 ( 1.464 0.000 0.359) 1.507 16.030 ( -1.415 0.000 -0.287) 1.444 16.399 ( -0.129 0.000 0.407) 0.427 16.457 ( -0.497 0.000 -0.880) 1.011 16.565 ( -9.682 0.000 0.193) 9.684 16.572 ( 1.361 0.000 0.110) 1.365 16.831 ( -0.666 0.000 2.068) 2.173 17.047 ( 1.490 0.000 -2.996) 3.346 17.287 ( -0.063 0.000 1.961) 1.962 17.388 ( -2.799 0.000 -0.693) 2.883 ======================= Grid point 64 (22/92) ======================= q-point: ( 0.11 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.579 ( -3.097 0.000 18.920) 19.172 0.644 ( 1.344 0.000 15.527) 15.585 1.078 ( 2.075 0.000 2.016) 2.893 1.086 ( -3.129 0.000 -5.594) 6.410 1.187 ( 4.941 0.000 2.172) 5.397 1.289 ( 2.285 0.000 -0.277) 2.302 1.290 ( -1.015 0.000 -2.550) 2.744 1.431 ( 3.526 0.000 17.259) 17.615 1.559 ( 3.280 0.000 -1.934) 3.807 1.672 ( 0.041 0.000 2.880) 2.880 1.706 ( -0.943 0.000 -0.649) 1.145 2.057 ( -1.910 0.000 -8.890) 9.093 2.278 ( -2.992 0.000 13.201) 13.536 2.291 ( 0.128 0.000 3.965) 3.967 2.790 ( 3.322 0.000 -8.257) 8.900 2.857 ( -1.711 0.000 -12.135) 12.255 2.988 ( -0.317 0.000 1.592) 1.623 3.061 ( 0.538 0.000 -5.932) 5.956 3.390 ( -0.968 0.000 -2.855) 3.015 3.471 ( 2.210 0.000 1.100) 2.468 3.551 ( 0.369 0.000 -0.779) 0.862 3.742 ( -3.590 0.000 0.245) 3.599 3.896 ( 6.071 0.000 -0.829) 6.128 4.017 ( -10.145 0.000 0.375) 10.152 4.059 ( 3.666 0.000 0.891) 3.773 4.222 ( -2.451 0.000 -2.164) 3.270 4.499 ( 0.410 0.000 4.253) 4.273 4.629 ( -4.523 0.000 -3.036) 5.447 5.298 ( -1.430 0.000 5.418) 5.604 5.332 ( -1.561 0.000 2.529) 2.972 5.371 ( -2.474 0.000 -1.355) 2.821 5.443 ( -0.468 0.000 -2.427) 2.471 5.667 ( -1.020 0.000 -2.542) 2.740 5.692 ( 2.830 0.000 -0.097) 2.832 6.096 ( 1.665 0.000 6.115) 6.337 6.160 ( -6.091 0.000 -1.478) 6.268 6.466 ( 3.039 0.000 -1.728) 3.496 6.491 ( 7.872 0.000 -1.290) 7.977 7.022 ( -4.875 0.000 -0.740) 4.931 7.092 ( -0.640 0.000 3.420) 3.479 7.204 ( 0.436 0.000 2.663) 2.698 7.362 ( 1.770 0.000 -0.877) 1.975 7.554 ( -0.131 0.000 2.649) 2.653 7.636 ( -2.800 0.000 -4.678) 5.452 7.898 ( -1.334 0.000 -1.683) 2.147 8.026 ( 4.579 0.000 -1.652) 4.868 11.042 ( -1.242 0.000 0.597) 1.378 11.086 ( 0.591 0.000 0.765) 0.967 12.753 ( -0.328 0.000 1.059) 1.109 12.847 ( -0.565 0.000 -2.434) 2.498 16.002 ( -0.852 0.000 -1.085) 1.380 16.049 ( 2.932 0.000 1.034) 3.109 16.402 ( -0.369 0.000 0.721) 0.810 16.437 ( -0.374 0.000 -0.730) 0.821 16.527 ( 1.419 0.000 -0.134) 1.425 16.620 ( 3.288 0.000 0.576) 3.338 16.851 ( 0.019 0.000 2.372) 2.372 17.037 ( 1.601 0.000 -3.101) 3.490 17.307 ( -0.644 0.000 2.513) 2.595 17.331 ( -2.914 0.000 0.861) 3.038 ======================= Grid point 65 (23/92) ======================= q-point: ( 0.22 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.787 ( 4.050 0.000 13.791) 14.374 0.824 ( 2.602 0.000 4.829) 5.485 0.958 ( -3.179 0.000 -3.027) 4.390 1.106 ( 1.421 0.000 -0.197) 1.434 1.244 ( -0.383 0.000 -2.150) 2.183 1.254 ( 3.177 0.000 -1.504) 3.515 1.272 ( -0.631 0.000 -0.196) 0.660 1.567 ( -0.831 0.000 -2.788) 2.909 1.595 ( -0.940 0.000 3.124) 3.263 1.666 ( -1.864 0.000 -1.503) 2.395 1.819 ( 3.866 0.000 11.201) 11.849 1.955 ( 1.451 0.000 -6.663) 6.819 2.357 ( 1.633 0.000 4.882) 5.148 2.411 ( 0.508 0.000 10.513) 10.526 2.605 ( -5.295 0.000 -16.976) 17.783 2.781 ( 5.929 0.000 -6.526) 8.817 3.047 ( -0.902 0.000 10.665) 10.703 3.062 ( 4.949 0.000 -4.166) 6.469 3.402 ( -6.767 0.000 0.306) 6.774 3.408 ( 3.254 0.000 1.470) 3.570 3.593 ( 3.730 0.000 -0.859) 3.828 3.753 ( 4.038 0.000 -4.005) 5.688 3.833 ( -11.248 0.000 2.283) 11.478 3.976 ( 4.756 0.000 -1.931) 5.133 4.058 ( -6.479 0.000 -0.223) 6.483 4.159 ( -0.337 0.000 -0.546) 0.642 4.523 ( -4.108 0.000 -2.250) 4.683 4.567 ( 1.006 0.000 4.567) 4.676 5.267 ( -4.922 0.000 0.707) 4.972 5.298 ( -1.684 0.000 -2.801) 3.268 5.364 ( -0.954 0.000 3.152) 3.293 5.428 ( -0.834 0.000 2.006) 2.172 5.616 ( -1.476 0.000 -3.202) 3.525 5.731 ( 2.087 0.000 -0.246) 2.101 6.066 ( -3.126 0.000 -1.292) 3.382 6.185 ( 1.448 0.000 3.642) 3.919 6.453 ( -0.328 0.000 -3.029) 3.047 6.585 ( 6.005 0.000 -2.167) 6.384 6.975 ( -2.029 0.000 1.216) 2.365 7.115 ( -2.107 0.000 4.061) 4.575 7.277 ( 4.592 0.000 1.744) 4.912 7.300 ( -4.034 0.000 -3.695) 5.470 7.578 ( -1.122 0.000 3.328) 3.512 7.597 ( 2.698 0.000 -2.689) 3.809 7.859 ( -0.734 0.000 -1.617) 1.776 8.058 ( 1.366 0.000 -0.792) 1.579 11.025 ( -1.430 0.000 0.410) 1.487 11.101 ( 0.298 0.000 0.494) 0.577 12.756 ( -0.708 0.000 0.946) 1.182 12.804 ( -1.241 0.000 -2.032) 2.381 15.981 ( -0.075 0.000 -0.958) 0.961 16.109 ( 2.670 0.000 0.737) 2.770 16.403 ( -0.507 0.000 0.703) 0.866 16.431 ( 0.336 0.000 -0.315) 0.461 16.563 ( 2.902 0.000 -0.295) 2.917 16.683 ( 2.915 0.000 0.957) 3.068 16.884 ( 0.638 0.000 2.219) 2.309 17.032 ( 1.891 0.000 -2.821) 3.396 17.306 ( -1.169 0.000 0.392) 1.233 17.319 ( -1.304 0.000 2.159) 2.522 ======================= Grid point 66 (24/92) ======================= q-point: ( 0.33 0.00 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.746 ( -0.065 0.000 -8.545) 8.545 0.984 ( 3.498 0.000 6.818) 7.663 1.032 ( 2.344 0.000 6.832) 7.223 1.125 ( -0.374 0.000 2.164) 2.196 1.235 ( 0.869 0.000 -3.802) 3.900 1.238 ( 0.607 0.000 -0.227) 0.648 1.310 ( 1.246 0.000 2.351) 2.660 1.472 ( -3.550 0.000 -4.562) 5.781 1.602 ( 0.771 0.000 0.372) 0.856 1.613 ( -1.979 0.000 -2.309) 3.041 1.911 ( -3.695 0.000 4.465) 5.796 1.937 ( 2.937 0.000 -4.595) 5.454 2.369 ( -1.596 0.000 -5.547) 5.772 2.474 ( 4.580 0.000 0.655) 4.627 2.499 ( -0.867 0.000 5.251) 5.322 2.830 ( 6.052 0.000 -3.302) 6.895 3.094 ( 3.567 0.000 -3.095) 4.723 3.162 ( -4.748 0.000 12.516) 13.387 3.323 ( -0.289 0.000 -1.122) 1.158 3.492 ( 3.676 0.000 1.131) 3.846 3.577 ( -5.570 0.000 0.435) 5.587 3.722 ( -2.451 0.000 3.753) 4.482 3.811 ( 4.710 0.000 -2.988) 5.578 3.898 ( -9.465 0.000 -0.744) 9.494 4.012 ( 2.904 0.000 -3.199) 4.321 4.161 ( -0.031 0.000 -0.074) 0.080 4.448 ( -2.604 0.000 -0.701) 2.697 4.621 ( -0.111 0.000 3.059) 3.061 5.190 ( -3.183 0.000 -1.561) 3.546 5.246 ( 1.817 0.000 -6.116) 6.380 5.380 ( -2.522 0.000 4.541) 5.194 5.444 ( -2.484 0.000 5.111) 5.683 5.551 ( -1.210 0.000 -2.635) 2.900 5.758 ( 1.386 0.000 -0.189) 1.399 6.020 ( -0.500 0.000 -1.820) 1.888 6.213 ( 0.533 0.000 -1.662) 1.745 6.420 ( -0.706 0.000 -0.313) 0.772 6.657 ( 4.198 0.000 -0.027) 4.198 6.946 ( -2.603 0.000 0.339) 2.625 7.105 ( -1.964 0.000 -0.289) 1.985 7.222 ( -0.510 0.000 -1.906) 1.973 7.370 ( 3.422 0.000 1.665) 3.806 7.593 ( -1.818 0.000 3.344) 3.806 7.624 ( 2.598 0.000 -1.088) 2.817 7.844 ( 0.205 0.000 -0.210) 0.294 8.062 ( 0.273 0.000 -0.794) 0.839 11.006 ( -1.252 0.000 0.233) 1.274 11.105 ( 0.031 0.000 -0.398) 0.399 12.752 ( -0.838 0.000 0.583) 1.021 12.767 ( -0.781 0.000 -1.209) 1.439 15.979 ( 0.459 0.000 0.089) 0.468 16.149 ( 1.454 0.000 0.025) 1.455 16.402 ( -0.361 0.000 0.458) 0.583 16.436 ( 0.494 0.000 -0.249) 0.553 16.613 ( 2.236 0.000 1.291) 2.582 16.735 ( 1.457 0.000 1.587) 2.155 16.917 ( 0.627 0.000 1.270) 1.416 17.038 ( 2.071 0.000 -1.862) 2.785 17.294 ( -0.416 0.000 -0.480) 0.635 17.307 ( -1.642 0.000 -0.067) 1.643 ======================= Grid point 67 (25/92) ======================= q-point: ( 0.44 0.00 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.765 ( 6.276 0.000 2.361) 6.705 1.018 ( -2.158 0.000 -1.700) 2.747 1.076 ( -3.880 0.000 -0.036) 3.881 1.149 ( -1.667 0.000 3.795) 4.145 1.229 ( 3.490 0.000 -2.418) 4.246 1.261 ( 0.778 0.000 3.947) 4.023 1.339 ( -2.084 0.000 2.946) 3.609 1.379 ( 0.448 0.000 -6.074) 6.091 1.589 ( 1.696 0.000 0.494) 1.766 1.652 ( 5.098 0.000 -0.828) 5.165 1.831 ( -8.189 0.000 0.839) 8.232 1.926 ( 2.032 0.000 -4.786) 5.200 2.380 ( 3.393 0.000 3.169) 4.643 2.514 ( -2.688 0.000 3.056) 4.070 2.564 ( 3.491 0.000 2.580) 4.341 2.896 ( 4.476 0.000 -1.214) 4.638 3.108 ( -8.182 0.000 0.161) 8.183 3.117 ( 2.888 0.000 -1.782) 3.394 3.359 ( -1.364 0.000 4.667) 4.862 3.522 ( -3.063 0.000 4.630) 5.551 3.526 ( 0.592 0.000 -2.071) 2.154 3.748 ( -0.618 0.000 4.050) 4.097 3.764 ( -4.381 0.000 -0.692) 4.436 3.848 ( 3.308 0.000 -2.640) 4.232 4.014 ( 1.951 0.000 -3.185) 3.735 4.153 ( 0.074 0.000 -1.202) 1.204 4.424 ( -0.244 0.000 1.009) 1.038 4.629 ( -1.703 0.000 0.990) 1.969 5.130 ( -0.993 0.000 -2.668) 2.847 5.202 ( 1.910 0.000 -7.415) 7.657 5.381 ( -3.242 0.000 4.033) 5.175 5.471 ( 1.110 0.000 2.662) 2.884 5.542 ( -1.004 0.000 3.979) 4.104 5.774 ( 0.683 0.000 0.136) 0.697 5.994 ( 0.359 0.000 -2.899) 2.921 6.178 ( 0.680 0.000 -5.573) 5.615 6.431 ( 0.273 0.000 3.068) 3.080 6.725 ( 2.053 0.000 2.424) 3.177 6.916 ( -0.940 0.000 0.339) 0.999 7.040 ( -1.749 0.000 -5.245) 5.529 7.224 ( 1.219 0.000 0.360) 1.271 7.414 ( 0.058 0.000 0.253) 0.260 7.592 ( -2.162 0.000 2.610) 3.389 7.656 ( 1.641 0.000 0.314) 1.671 7.856 ( 0.324 0.000 1.338) 1.377 8.054 ( 0.257 0.000 -1.056) 1.087 10.991 ( -0.605 0.000 0.144) 0.622 11.093 ( -0.078 0.000 -1.479) 1.481 12.744 ( -0.620 0.000 0.272) 0.677 12.754 ( 0.313 0.000 -0.311) 0.441 15.997 ( 0.451 0.000 1.467) 1.535 16.160 ( 0.329 0.000 -0.646) 0.725 16.401 ( -0.291 0.000 0.304) 0.420 16.439 ( 0.258 0.000 -0.440) 0.510 16.667 ( 0.853 0.000 3.537) 3.639 16.768 ( -0.160 0.000 2.068) 2.074 16.926 ( -0.452 0.000 -0.212) 0.499 17.057 ( 1.673 0.000 -0.494) 1.744 17.265 ( -0.936 0.000 -3.100) 3.238 17.278 ( -0.135 0.000 -1.469) 1.475 ======================= Grid point 68 (26/92) ======================= q-point: (-0.44 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.910 ( 0.663 0.000 0.669) 0.942 0.923 ( -5.849 0.000 -1.713) 6.095 0.984 ( -3.189 0.000 4.740) 5.713 1.163 ( 0.931 0.000 0.712) 1.172 1.218 ( -1.226 0.000 -4.879) 5.031 1.274 ( 2.008 0.000 0.527) 2.076 1.313 ( -3.343 0.000 1.183) 3.547 1.467 ( 6.363 0.000 4.932) 8.050 1.647 ( 3.264 0.000 0.228) 3.272 1.688 ( -5.796 0.000 -2.088) 6.161 1.704 ( -0.325 0.000 -1.871) 1.899 1.907 ( 2.641 0.000 -4.040) 4.827 2.442 ( -2.924 0.000 3.019) 4.203 2.482 ( -5.680 0.000 3.108) 6.474 2.720 ( 8.186 0.000 9.127) 12.260 2.887 ( -6.294 0.000 -6.465) 9.023 2.978 ( -1.581 0.000 1.093) 1.922 3.162 ( 2.965 0.000 1.500) 3.323 3.381 ( -0.077 0.000 3.061) 3.062 3.470 ( -2.410 0.000 -4.376) 4.996 3.566 ( 0.600 0.000 5.659) 5.691 3.727 ( -4.444 0.000 -0.262) 4.452 3.750 ( 4.216 0.000 -1.884) 4.617 3.914 ( 4.346 0.000 2.951) 5.253 4.006 ( 1.590 0.000 -3.474) 3.820 4.135 ( 0.419 0.000 -2.847) 2.878 4.466 ( 1.778 0.000 3.710) 4.114 4.586 ( -3.213 0.000 -1.136) 3.408 5.094 ( 0.845 0.000 -3.484) 3.585 5.153 ( 1.960 0.000 -5.898) 6.215 5.368 ( -2.601 0.000 2.583) 3.666 5.545 ( 5.100 0.000 0.135) 5.102 5.587 ( -2.653 0.000 8.484) 8.889 5.785 ( -0.134 0.000 0.977) 0.986 5.965 ( 1.033 0.000 -3.692) 3.833 6.111 ( 0.311 0.000 -7.600) 7.607 6.499 ( 1.560 0.000 5.694) 5.904 6.772 ( -0.463 0.000 2.818) 2.856 6.917 ( 0.295 0.000 0.026) 0.296 6.940 ( -0.806 0.000 -7.467) 7.510 7.266 ( 2.135 0.000 2.253) 3.104 7.372 ( -3.177 0.000 -2.485) 4.034 7.587 ( -1.987 0.000 2.462) 3.164 7.684 ( 0.669 0.000 0.939) 1.153 7.883 ( 0.222 0.000 2.572) 2.582 8.046 ( 0.512 0.000 -1.685) 1.761 10.991 ( 0.240 0.000 0.333) 0.410 11.072 ( 0.096 0.000 -2.101) 2.103 12.738 ( -0.295 0.000 0.055) 0.300 12.768 ( 1.431 0.000 0.025) 1.431 16.024 ( -0.028 0.000 2.444) 2.444 16.145 ( -0.734 0.000 -1.364) 1.549 16.399 ( -0.315 0.000 0.303) 0.437 16.435 ( 0.046 0.000 -0.537) 0.539 16.725 ( -0.694 0.000 6.424) 6.461 16.775 ( -1.928 0.000 1.957) 2.747 16.899 ( -1.597 0.000 -1.161) 1.975 17.073 ( 0.623 0.000 -0.703) 0.939 17.221 ( 0.938 0.000 -3.646) 3.764 17.252 ( -0.102 0.000 -2.875) 2.877 ======================= Grid point 69 (27/92) ======================= q-point: (-0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.750 ( -12.359 0.000 -0.708) 12.379 0.804 ( -7.955 0.000 1.612) 8.117 1.105 ( 3.207 0.000 6.043) 6.842 1.171 ( -2.180 0.000 -1.913) 2.900 1.192 ( 3.498 0.000 -3.500) 4.948 1.259 ( -3.319 0.000 -1.708) 3.732 1.295 ( 0.296 0.000 0.975) 1.019 1.560 ( -8.956 0.000 -0.037) 8.956 1.599 ( 2.923 0.000 3.058) 4.230 1.617 ( -2.756 0.000 -4.613) 5.374 1.680 ( 1.190 0.000 -1.029) 1.573 1.957 ( 7.118 0.000 -0.827) 7.165 2.342 ( -15.205 0.000 0.278) 15.207 2.382 ( -6.013 0.000 1.757) 6.265 2.713 ( 0.048 0.000 -6.588) 6.588 2.952 ( 5.889 0.000 5.936) 8.361 2.990 ( -0.174 0.000 1.073) 1.087 3.273 ( 1.688 0.000 10.118) 10.258 3.368 ( -1.369 0.000 -4.970) 5.155 3.429 ( 1.295 0.000 2.257) 2.602 3.602 ( -3.943 0.000 1.101) 4.094 3.725 ( 5.319 0.000 4.613) 7.041 3.829 ( 7.847 0.000 -4.527) 9.059 3.982 ( 0.989 0.000 -4.633) 4.737 4.019 ( 1.699 0.000 5.847) 6.089 4.111 ( 2.208 0.000 -3.855) 4.443 4.504 ( -3.622 0.000 -2.315) 4.298 4.554 ( 2.313 0.000 4.826) 5.351 5.075 ( 2.132 0.000 -4.137) 4.655 5.143 ( 3.409 0.000 -3.641) 4.988 5.363 ( -0.591 0.000 1.553) 1.661 5.610 ( -1.475 0.000 4.078) 4.337 5.645 ( 1.835 0.000 2.931) 3.459 5.793 ( -1.122 0.000 1.972) 2.269 5.966 ( 3.892 0.000 -2.083) 4.414 6.010 ( -1.080 0.000 -8.573) 8.641 6.591 ( 0.158 0.000 5.746) 5.749 6.756 ( -1.984 0.000 -2.167) 2.938 6.868 ( 0.038 0.000 -3.246) 3.246 6.921 ( 1.143 0.000 -0.410) 1.215 7.276 ( -3.875 0.000 -2.735) 4.743 7.347 ( 3.073 0.000 3.061) 4.338 7.577 ( -2.228 0.000 1.757) 2.837 7.697 ( -0.256 0.000 1.082) 1.111 7.922 ( 0.371 0.000 3.038) 3.060 8.029 ( 0.540 0.000 -3.082) 3.129 11.006 ( 0.733 0.000 0.712) 1.022 11.053 ( 0.488 0.000 -1.919) 1.980 12.735 ( -0.058 0.000 -0.077) 0.097 12.796 ( 1.989 0.000 -0.549) 2.064 16.048 ( -0.688 0.000 2.610) 2.699 16.103 ( -1.853 0.000 -2.045) 2.760 16.398 ( -0.300 0.000 0.418) 0.514 16.431 ( 0.220 0.000 -0.374) 0.433 16.742 ( -3.860 0.000 0.768) 3.936 16.798 ( -1.987 0.000 10.599) 10.784 16.857 ( -1.570 0.000 -0.953) 1.837 17.063 ( 0.910 0.000 -2.517) 2.676 17.204 ( -0.232 0.000 -5.116) 5.121 17.219 ( 1.705 0.000 -1.002) 1.977 ======================= Grid point 70 (28/92) ======================= q-point: (-0.22 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.536 ( -15.198 0.000 5.491) 16.160 0.660 ( -13.170 0.000 -1.678) 13.277 0.945 ( -16.593 0.000 -5.349) 17.434 1.165 ( -6.298 0.000 1.738) 6.533 1.188 ( 1.549 0.000 1.441) 2.116 1.240 ( 4.449 0.000 -0.935) 4.547 1.287 ( -3.197 0.000 0.161) 3.201 1.451 ( -3.645 0.000 2.114) 4.214 1.578 ( 1.443 0.000 -1.102) 1.816 1.620 ( -1.357 0.000 -0.854) 1.603 1.695 ( 1.956 0.000 -0.536) 2.028 2.052 ( -15.138 0.000 -0.060) 15.138 2.094 ( 7.807 0.000 0.390) 7.816 2.307 ( -5.039 0.000 1.962) 5.407 2.724 ( 6.134 0.000 -4.746) 7.756 3.000 ( 0.486 0.000 0.894) 1.018 3.039 ( 1.386 0.000 -0.395) 1.441 3.255 ( -4.336 0.000 1.320) 4.533 3.442 ( -1.338 0.000 -1.475) 1.991 3.478 ( 4.122 0.000 6.827) 7.975 3.555 ( -4.805 0.000 5.067) 6.983 3.851 ( 1.189 0.000 -5.361) 5.491 3.909 ( 8.613 0.000 4.121) 9.548 3.951 ( 3.795 0.000 -6.772) 7.763 4.117 ( 0.900 0.000 8.596) 8.643 4.134 ( 5.500 0.000 -4.400) 7.043 4.438 ( -1.333 0.000 -0.706) 1.508 4.640 ( 1.495 0.000 4.101) 4.365 5.075 ( 3.634 0.000 -3.780) 5.243 5.178 ( 4.104 0.000 -1.478) 4.362 5.386 ( 0.845 0.000 1.842) 2.027 5.590 ( -4.615 0.000 2.143) 5.088 5.703 ( 2.354 0.000 0.663) 2.446 5.766 ( -4.340 0.000 -0.691) 4.395 5.917 ( 1.104 0.000 -4.459) 4.594 6.060 ( 7.246 0.000 1.400) 7.380 6.587 ( -5.468 0.000 1.049) 5.567 6.678 ( -0.612 0.000 -7.262) 7.287 6.858 ( -0.924 0.000 3.311) 3.437 6.989 ( 5.359 0.000 2.918) 6.102 7.194 ( -2.770 0.000 -1.492) 3.146 7.393 ( -1.010 0.000 0.038) 1.011 7.554 ( -2.315 0.000 1.125) 2.574 7.719 ( 1.453 0.000 1.732) 2.260 7.956 ( -0.297 0.000 2.299) 2.318 7.981 ( -0.211 0.000 -6.603) 6.607 11.028 ( 0.609 0.000 1.018) 1.186 11.046 ( 0.802 0.000 -1.052) 1.323 12.734 ( 0.067 0.000 -0.006) 0.067 12.814 ( 1.559 0.000 -1.726) 2.326 16.043 ( -2.133 0.000 -2.012) 2.932 16.059 ( -1.254 0.000 2.010) 2.369 16.398 ( -0.275 0.000 0.479) 0.552 16.437 ( 0.842 0.000 -0.086) 0.847 16.669 ( -4.478 0.000 -0.670) 4.527 16.825 ( -1.151 0.000 0.096) 1.155 16.932 ( -0.449 0.000 17.593) 17.599 17.055 ( 1.659 0.000 -2.617) 3.098 17.117 ( -1.053 0.000 -9.180) 9.240 17.242 ( 1.092 0.000 0.490) 1.197 ======================= Grid point 71 (29/92) ======================= q-point: (-0.11 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.241 ( -16.397 0.000 -3.773) 16.825 0.407 ( -13.557 0.000 16.126) 21.067 0.713 ( -24.602 0.000 21.955) 32.974 1.117 ( -2.378 0.000 2.307) 3.313 1.207 ( 0.975 0.000 -1.798) 2.045 1.230 ( -1.661 0.000 -1.784) 2.437 1.290 ( 2.123 0.000 -0.140) 2.127 1.424 ( 0.413 0.000 1.439) 1.497 1.577 ( -0.671 0.000 -2.635) 2.719 1.655 ( 3.778 0.000 2.500) 4.530 1.715 ( 1.030 0.000 -0.678) 1.233 1.981 ( 3.550 0.000 15.608) 16.007 2.190 ( 4.234 0.000 -2.258) 4.798 2.262 ( -3.212 0.000 2.380) 3.997 2.753 ( 4.822 0.000 -5.404) 7.242 3.009 ( -0.883 0.000 -3.887) 3.986 3.028 ( 1.907 0.000 -0.774) 2.058 3.229 ( -2.316 0.000 1.473) 2.745 3.333 ( -8.730 0.000 -2.107) 8.980 3.546 ( -4.250 0.000 5.739) 7.141 3.551 ( -0.217 0.000 0.126) 0.251 3.802 ( 0.797 0.000 -3.844) 3.925 3.938 ( 4.297 0.000 -6.858) 8.093 4.075 ( 5.801 0.000 2.368) 6.266 4.187 ( 5.862 0.000 -2.850) 6.518 4.222 ( 0.067 0.000 -0.816) 0.819 4.441 ( 0.442 0.000 1.180) 1.260 4.722 ( 3.195 0.000 5.149) 6.060 5.133 ( 6.021 0.000 0.990) 6.102 5.241 ( 3.651 0.000 0.663) 3.711 5.424 ( 0.144 0.000 2.994) 2.998 5.527 ( -3.872 0.000 0.293) 3.883 5.660 ( -3.529 0.000 -2.500) 4.325 5.732 ( 0.800 0.000 -0.652) 1.032 5.939 ( 2.482 0.000 0.983) 2.670 6.217 ( 8.137 0.000 2.297) 8.455 6.465 ( -7.942 0.000 -1.094) 8.017 6.512 ( -7.417 0.000 -13.259) 15.193 6.986 ( 7.461 0.000 11.754) 13.922 7.136 ( 6.813 0.000 3.553) 7.683 7.151 ( -0.781 0.000 0.525) 0.941 7.311 ( -6.048 0.000 -2.754) 6.646 7.525 ( -1.982 0.000 -0.499) 2.044 7.765 ( 1.657 0.000 -0.123) 1.661 7.839 ( -5.247 0.000 -7.495) 9.149 7.959 ( -1.589 0.000 1.082) 1.922 11.046 ( 0.003 0.000 1.061) 1.061 11.054 ( 0.796 0.000 -0.073) 0.800 12.737 ( 0.097 0.000 0.327) 0.341 12.814 ( 0.931 0.000 -0.149) 0.943 15.998 ( -0.781 0.000 -0.976) 1.250 16.052 ( -1.539 0.000 0.924) 1.795 16.399 ( -0.300 0.000 0.376) 0.481 16.456 ( 1.190 0.000 -0.106) 1.195 16.592 ( -2.946 0.000 -0.957) 3.098 16.811 ( -0.937 0.000 -1.149) 1.482 16.909 ( -9.495 0.000 -13.277) 16.323 17.054 ( 1.645 0.000 -2.692) 3.155 17.240 ( 10.550 0.000 17.795) 20.688 17.265 ( 0.454 0.000 1.267) 1.346 ======================= Grid point 72 (30/92) ======================= q-point: ( 0.00 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.464 ( -2.603 5.911 14.502) 15.875 0.557 ( 1.525 8.665 15.016) 17.403 0.944 ( -0.501 11.538 15.789) 19.562 1.123 ( -0.952 1.624 2.544) 3.165 1.168 ( -0.777 0.934 -0.389) 1.276 1.245 ( 1.396 2.827 -0.579) 3.206 1.337 ( 1.148 2.504 0.080) 2.756 1.393 ( -2.040 -2.197 0.258) 3.010 1.554 ( 0.853 0.517 -3.162) 3.316 1.664 ( -2.321 0.104 2.374) 3.321 1.722 ( 1.482 -0.236 -0.549) 1.598 2.117 ( -1.329 -5.897 11.101) 12.640 2.157 ( -0.557 -1.799 -4.083) 4.496 2.279 ( -0.397 3.805 5.543) 6.735 2.843 ( 4.032 0.534 -7.251) 8.314 2.910 ( 0.701 -2.799 -4.332) 5.205 3.019 ( -0.223 -0.033 -1.678) 1.693 3.175 ( -3.700 1.565 -4.531) 6.056 3.364 ( 7.838 3.224 -0.976) 8.531 3.396 ( -1.785 -7.154 -0.895) 7.427 3.575 ( -4.583 0.867 0.273) 4.672 3.764 ( 3.038 -4.815 -1.938) 6.014 3.881 ( -8.803 -2.803 3.790) 9.986 3.952 ( 1.149 -1.862 -2.223) 3.119 4.134 ( -0.696 0.216 0.319) 0.795 4.211 ( 1.837 -3.004 -0.902) 3.635 4.511 ( -0.632 4.099 0.122) 4.149 4.739 ( -2.032 0.787 -0.916) 2.364 5.169 ( 0.703 -4.731 2.825) 5.555 5.286 ( 3.826 -3.096 -0.401) 4.938 5.348 ( -2.990 -2.996 0.778) 4.304 5.482 ( -0.050 -1.496 -1.922) 2.436 5.690 ( 1.393 3.414 0.528) 3.725 5.777 ( -1.287 3.751 -0.670) 4.022 5.981 ( 1.190 -1.733 4.084) 4.593 6.254 ( -3.285 -4.302 -1.733) 5.683 6.360 ( 3.193 -0.551 1.493) 3.567 6.391 ( 1.971 0.160 1.391) 2.418 7.014 ( 0.456 -3.106 5.425) 6.268 7.087 ( -1.336 -2.362 -0.817) 2.834 7.200 ( -2.466 -0.491 0.474) 2.559 7.307 ( 1.509 1.116 -0.567) 1.960 7.534 ( 0.982 1.350 1.565) 2.289 7.736 ( -2.053 -0.816 -2.349) 3.225 7.863 ( 3.476 0.330 2.651) 4.384 8.058 ( 0.451 3.702 -6.447) 7.448 11.050 ( -0.413 -0.183 0.948) 1.050 11.067 ( 0.628 -0.058 0.465) 0.784 12.749 ( -0.184 -0.096 -0.167) 0.267 12.833 ( 1.971 -2.333 -0.456) 3.089 15.995 ( 1.260 -0.437 0.184) 1.346 16.019 ( -1.335 -1.039 -0.254) 1.711 16.412 ( -0.347 1.339 0.482) 1.465 16.466 ( -0.472 0.779 -0.413) 1.000 16.555 ( -2.434 1.336 0.831) 2.898 16.673 ( -1.403 4.556 -4.263) 6.396 16.853 ( -1.060 2.462 1.786) 3.221 17.050 ( 1.436 0.359 -2.644) 3.030 17.215 ( 0.507 -2.115 6.230) 6.599 17.439 ( -1.891 1.798 -2.766) 3.803 ======================= Grid point 73 (31/92) ======================= q-point: ( 0.11 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.590 ( 1.396 4.994 13.020) 14.015 0.769 ( 1.332 7.841 13.378) 15.564 1.062 ( -1.332 -1.592 -3.729) 4.268 1.091 ( 0.901 1.277 1.730) 2.332 1.207 ( 2.338 1.504 -0.806) 2.894 1.278 ( -0.041 0.075 -1.291) 1.293 1.341 ( -0.263 3.122 -3.840) 4.956 1.452 ( 4.371 1.823 14.356) 15.117 1.545 ( 1.188 -1.791 -2.147) 3.038 1.664 ( -1.516 1.452 5.146) 5.558 1.744 ( 1.719 1.655 0.003) 2.386 2.042 ( -2.333 -1.447 -7.525) 8.010 2.239 ( 0.860 -0.888 10.293) 10.367 2.350 ( -0.174 4.219 7.476) 8.586 2.764 ( 0.296 -1.511 -10.228) 10.343 2.909 ( 4.540 2.036 -7.429) 8.941 2.998 ( -0.969 2.053 1.180) 2.559 3.070 ( -0.530 1.451 -5.103) 5.332 3.330 ( -1.788 -4.904 -0.939) 5.304 3.489 ( -6.368 -1.145 1.546) 6.652 3.512 ( 7.118 -2.127 -1.873) 7.661 3.741 ( -1.573 -0.882 -1.055) 2.089 3.856 ( 3.879 -2.708 -0.515) 4.759 3.947 ( -3.847 -2.197 -0.252) 4.437 4.115 ( -1.642 0.680 1.152) 2.118 4.194 ( -1.992 -2.305 -1.137) 3.252 4.520 ( -0.765 2.330 2.996) 3.872 4.665 ( -3.018 3.079 -2.650) 5.060 5.173 ( -4.503 -7.211 3.167) 9.072 5.298 ( -0.394 -5.157 -0.862) 5.244 5.356 ( 1.271 -0.652 0.478) 1.507 5.467 ( 1.070 0.896 -1.847) 2.315 5.717 ( 0.394 2.823 -0.801) 2.960 5.750 ( 0.092 4.571 0.048) 4.572 6.041 ( -0.661 -4.162 5.146) 6.652 6.137 ( -5.507 -2.544 -0.749) 6.112 6.445 ( 3.326 -1.418 -1.445) 3.894 6.493 ( 7.879 -0.354 -0.651) 7.913 7.015 ( -3.919 -0.304 -0.090) 3.932 7.069 ( -0.500 -1.472 3.879) 4.179 7.206 ( 1.787 0.269 1.733) 2.504 7.347 ( 2.148 -1.476 -1.026) 2.801 7.559 ( -1.084 0.667 1.978) 2.352 7.643 ( -3.080 0.258 -3.282) 4.508 7.908 ( -0.481 0.983 -0.670) 1.283 8.029 ( 2.578 -0.008 -2.204) 3.391 11.045 ( -1.092 0.226 0.542) 1.240 11.084 ( 0.470 -0.206 0.714) 0.879 12.747 ( -0.567 -0.658 0.734) 1.137 12.830 ( -0.333 -1.716 -1.910) 2.589 15.995 ( -0.585 -0.568 -0.932) 1.238 16.036 ( 2.630 -1.079 0.811) 2.956 16.410 ( -0.674 0.839 0.654) 1.259 16.449 ( -0.692 1.054 -0.293) 1.294 16.550 ( 1.454 2.097 -0.182) 2.558 16.677 ( 3.611 4.396 -1.131) 5.801 16.866 ( -0.273 1.654 2.247) 2.803 17.042 ( 1.375 0.460 -2.826) 3.176 17.279 ( 0.086 -0.671 4.256) 4.310 17.369 ( -2.633 2.112 -0.964) 3.511 ======================= Grid point 74 (32/92) ======================= q-point: ( 0.22 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.795 ( 5.976 2.890 10.247) 12.209 0.885 ( -0.826 3.238 -0.897) 3.460 0.979 ( -1.350 2.524 1.369) 3.173 1.118 ( 1.019 1.306 0.708) 1.802 1.215 ( 0.720 -1.390 -2.327) 2.804 1.273 ( 0.931 0.421 -2.607) 2.800 1.282 ( -0.551 0.860 -0.584) 1.177 1.520 ( -1.371 -5.119 -1.315) 5.460 1.582 ( -0.717 0.558 0.928) 1.299 1.707 ( -1.219 2.885 2.408) 3.950 1.837 ( 3.352 1.035 6.610) 7.484 1.947 ( 0.456 -0.434 -4.171) 4.218 2.374 ( 3.632 1.307 5.524) 6.739 2.446 ( 0.099 3.710 7.329) 8.215 2.615 ( -1.791 1.769 -12.182) 12.440 2.865 ( 3.211 7.235 -7.962) 11.227 3.047 ( 0.798 0.841 7.175) 7.268 3.070 ( 3.586 0.274 -1.196) 3.790 3.346 ( 2.666 -5.681 2.134) 6.629 3.381 ( -6.490 -2.213 -0.271) 6.862 3.583 ( 3.369 -2.258 0.273) 4.065 3.737 ( -1.649 -0.920 -2.225) 2.919 3.797 ( -4.151 -1.938 -0.729) 4.639 3.955 ( 4.555 -1.785 -1.528) 5.125 4.039 ( -7.357 -2.942 -1.205) 8.015 4.176 ( -0.367 1.353 1.171) 1.827 4.522 ( -2.339 0.861 0.424) 2.528 4.620 ( -0.522 4.160 1.320) 4.396 5.118 ( -4.200 -8.658 1.517) 9.742 5.253 ( -2.418 -4.372 -2.920) 5.787 5.379 ( 0.662 -0.073 0.824) 1.059 5.479 ( 0.611 2.056 1.126) 2.422 5.681 ( -2.105 6.092 -1.727) 6.673 5.778 ( 1.733 3.115 0.335) 3.580 6.009 ( -3.544 -5.269 -0.760) 6.396 6.127 ( 0.242 -5.096 2.480) 5.672 6.453 ( 0.701 0.105 -2.164) 2.278 6.594 ( 6.078 0.529 -1.904) 6.391 6.976 ( -1.692 0.217 0.986) 1.970 7.087 ( -1.733 -2.292 2.026) 3.516 7.281 ( 3.990 0.334 0.773) 4.078 7.320 ( -2.879 1.390 -0.456) 3.229 7.543 ( -0.042 -1.858 0.052) 1.859 7.617 ( 0.420 0.529 0.271) 0.728 7.876 ( -0.650 1.634 -1.661) 2.419 8.054 ( 1.165 -0.493 -0.035) 1.265 11.028 ( -1.418 0.301 0.293) 1.479 11.096 ( 0.186 -0.492 0.402) 0.662 12.744 ( -0.843 -1.142 0.760) 1.610 12.792 ( -1.215 -1.204 -1.871) 2.535 15.982 ( 0.232 0.084 -0.817) 0.854 16.090 ( 2.521 -1.672 0.610) 3.086 16.407 ( -0.661 0.494 0.717) 1.093 16.440 ( -0.015 0.798 -0.194) 0.821 16.587 ( 2.833 2.195 -0.155) 3.587 16.736 ( 3.425 4.522 0.418) 5.688 16.893 ( 0.502 0.772 2.022) 2.222 17.034 ( 1.430 0.179 -2.643) 3.011 17.316 ( -0.762 0.480 2.724) 2.869 17.333 ( -0.742 2.267 -0.388) 2.416 ======================= Grid point 75 (33/92) ======================= q-point: ( 0.33 0.14 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.768 ( -0.484 2.143 -7.687) 7.995 0.988 ( 4.343 1.145 5.908) 7.422 1.042 ( 1.694 0.560 3.309) 3.759 1.136 ( -0.987 0.770 1.989) 2.350 1.226 ( 2.439 -0.688 -0.152) 2.539 1.231 ( 0.067 -1.084 -2.739) 2.946 1.302 ( -1.478 0.030 2.366) 2.790 1.478 ( 0.003 -4.874 -3.900) 6.242 1.532 ( -3.185 2.005 -0.248) 3.772 1.699 ( -0.413 4.192 -0.488) 4.241 1.884 ( -0.103 -2.189 -1.349) 2.574 1.951 ( -0.925 0.989 1.269) 1.856 2.427 ( 2.330 3.312 -6.728) 7.853 2.492 ( 1.667 4.783 4.268) 6.624 2.547 ( -0.787 3.969 2.738) 4.885 2.873 ( 5.318 3.894 -3.864) 7.640 3.104 ( 3.715 1.038 -2.381) 4.533 3.162 ( -4.139 -0.087 11.242) 11.981 3.293 ( -0.951 -2.755 -1.388) 3.228 3.421 ( 0.924 -5.903 2.792) 6.595 3.607 ( -4.473 1.825 -0.755) 4.890 3.658 ( 1.358 -5.503 3.429) 6.624 3.793 ( 0.075 -1.902 -2.666) 3.276 3.877 ( -6.740 -1.825 -0.496) 7.000 4.015 ( 4.680 -0.290 -3.691) 5.968 4.175 ( -1.240 1.239 0.875) 1.959 4.481 ( -1.667 3.204 -0.308) 3.625 4.642 ( -0.591 2.060 2.392) 3.212 5.088 ( -1.393 -7.304 1.180) 7.528 5.171 ( -1.524 -5.250 -4.126) 6.849 5.389 ( -0.782 0.710 0.680) 1.256 5.508 ( -0.080 1.098 3.009) 3.204 5.617 ( -2.584 8.254 -1.603) 8.796 5.804 ( 1.211 2.976 -0.212) 3.220 5.961 ( -0.911 -5.501 -1.354) 5.738 6.137 ( 0.335 -6.646 -1.546) 6.832 6.441 ( -0.120 1.712 -0.241) 1.733 6.667 ( 4.243 0.795 -0.210) 4.322 6.953 ( -1.967 0.641 -0.112) 2.071 7.066 ( -1.168 -3.352 -0.807) 3.640 7.254 ( -1.461 2.688 -1.027) 3.227 7.374 ( 2.862 0.363 1.862) 3.434 7.563 ( 0.388 -2.275 1.886) 2.981 7.625 ( 0.207 -0.503 0.001) 0.543 7.861 ( 0.288 1.659 -0.433) 1.739 8.062 ( -0.028 -0.085 -0.043) 0.099 11.007 ( -1.242 0.211 0.131) 1.267 11.098 ( -0.024 -0.714 -0.410) 0.824 12.737 ( -0.800 -1.378 0.475) 1.663 12.756 ( -0.914 -1.139 -1.122) 1.841 15.985 ( 0.685 0.607 0.099) 0.921 16.129 ( 1.487 -1.828 0.059) 2.357 16.404 ( -0.508 0.354 0.550) 0.828 16.441 ( 0.242 0.474 -0.077) 0.538 16.635 ( 2.196 2.086 0.985) 3.185 16.790 ( 1.501 4.845 1.453) 5.276 16.927 ( 1.005 0.432 1.172) 1.604 17.033 ( 1.626 -0.333 -1.735) 2.401 17.304 ( -0.824 0.830 -1.215) 1.686 17.335 ( -0.311 3.334 0.486) 3.383 ======================= Grid point 76 (34/92) ======================= q-point: ( 0.44 0.14 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.775 ( 4.998 0.965 1.709) 5.369 1.028 ( -1.348 0.669 -1.856) 2.389 1.077 ( -1.716 0.368 -0.608) 1.857 1.146 ( -1.666 -0.559 3.650) 4.051 1.229 ( -0.944 -2.716 2.094) 3.557 1.244 ( 1.981 0.855 -1.940) 2.901 1.308 ( 0.780 -1.169 2.134) 2.555 1.430 ( -0.763 1.430 -3.089) 3.488 1.527 ( 1.981 -2.468 1.093) 3.348 1.711 ( 3.037 4.116 -0.984) 5.209 1.825 ( -4.620 -1.108 -1.689) 5.042 1.923 ( -0.689 0.245 -2.461) 2.567 2.470 ( 4.575 8.656 2.518) 10.110 2.520 ( -1.755 0.793 2.408) 3.084 2.588 ( 1.562 2.140 2.369) 3.554 2.935 ( 4.817 3.532 -0.673) 6.011 3.104 ( -6.462 -0.272 -1.066) 6.555 3.140 ( 1.901 2.142 -0.503) 2.908 3.317 ( -2.163 -4.077 4.600) 6.516 3.428 ( -2.439 -5.625 3.189) 6.911 3.575 ( -0.196 1.350 -0.201) 1.379 3.686 ( -3.344 -7.610 -1.306) 8.414 3.741 ( 0.293 -0.263 3.511) 3.533 3.845 ( 1.696 0.102 -1.348) 2.169 4.040 ( 3.441 1.620 -3.718) 5.319 4.156 ( -1.314 0.260 -0.493) 1.427 4.469 ( -0.207 4.338 1.117) 4.484 4.641 ( -1.605 1.202 0.588) 2.089 5.055 ( -1.950 -4.606 -1.913) 5.355 5.153 ( 2.640 -5.745 -1.220) 6.439 5.368 ( -1.876 0.666 0.034) 1.991 5.538 ( 0.051 0.004 1.771) 1.772 5.588 ( -0.466 8.178 2.071) 8.449 5.816 ( 0.556 2.686 -0.317) 2.761 5.935 ( -0.004 -5.299 -2.138) 5.714 6.110 ( 0.729 -6.204 -4.548) 7.726 6.452 ( 0.296 1.828 2.223) 2.893 6.730 ( 2.010 0.352 1.645) 2.621 6.923 ( -0.647 0.567 -0.664) 1.087 7.028 ( -0.980 -1.131 -2.899) 3.262 7.237 ( 0.322 1.314 -0.296) 1.385 7.414 ( -0.032 -0.023 0.417) 0.419 7.580 ( -1.712 -1.181 2.532) 3.277 7.635 ( 1.299 -2.014 0.119) 2.399 7.871 ( 0.492 1.435 0.846) 1.737 8.055 ( -0.311 -0.116 -0.642) 0.723 10.993 ( -0.539 0.209 0.121) 0.590 11.087 ( -0.065 -0.686 -1.344) 1.511 12.730 ( -0.612 -1.328 0.291) 1.491 12.741 ( 0.294 -1.253 -0.294) 1.320 16.004 ( 0.503 0.728 1.282) 1.558 16.141 ( 0.366 -1.674 -0.499) 1.785 16.402 ( -0.393 0.313 0.452) 0.675 16.444 ( 0.179 0.442 -0.116) 0.491 16.681 ( 0.771 1.475 2.644) 3.124 16.820 ( -0.210 4.629 2.109) 5.091 16.940 ( -0.232 0.720 -0.437) 0.873 17.050 ( 1.530 -0.588 -0.216) 1.654 17.268 ( -0.213 1.436 -3.121) 3.443 17.325 ( -0.319 4.018 -1.297) 4.234 ======================= Grid point 77 (35/92) ======================= q-point: (-0.44 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.891 ( 0.514 -0.981 2.985) 3.183 0.962 ( -2.812 2.913 -1.583) 4.347 1.014 ( -3.298 2.779 2.060) 4.779 1.157 ( 0.228 -0.897 1.331) 1.621 1.165 ( -1.909 -3.225 -4.151) 5.593 1.275 ( 2.522 -0.419 -0.480) 2.601 1.371 ( -2.723 3.693 1.884) 4.960 1.447 ( 5.827 -1.775 4.079) 7.331 1.568 ( 1.051 -4.712 -0.695) 4.877 1.709 ( -5.246 1.261 -1.147) 5.516 1.753 ( 2.293 3.276 -3.110) 5.065 1.894 ( 1.820 -0.865 -3.202) 3.783 2.469 ( -4.714 2.070 1.388) 5.332 2.544 ( -4.083 5.644 3.171) 7.654 2.729 ( 7.929 1.942 8.311) 11.650 2.921 ( -7.865 2.854 -6.059) 10.330 3.019 ( 1.740 3.822 2.618) 4.949 3.178 ( 2.085 1.777 1.308) 3.036 3.331 ( 0.442 -5.009 2.649) 5.683 3.413 ( -2.480 -4.560 -0.758) 5.245 3.545 ( -2.346 -4.276 0.904) 4.960 3.673 ( 2.490 -2.009 -0.001) 3.199 3.770 ( 0.309 0.259 1.086) 1.159 3.898 ( 3.821 -0.923 1.553) 4.227 4.042 ( 1.204 2.681 -3.227) 4.365 4.123 ( -0.381 -1.217 -2.377) 2.698 4.494 ( 0.279 2.508 2.447) 3.515 4.608 ( -1.547 2.128 -0.893) 2.779 5.011 ( -0.699 -4.177 -1.335) 4.440 5.185 ( 3.301 -1.058 -2.751) 4.425 5.345 ( -1.196 -0.120 1.238) 1.725 5.560 ( 0.349 -0.608 1.680) 1.821 5.633 ( 1.299 5.428 3.582) 6.632 5.816 ( -0.423 2.173 0.220) 2.225 5.909 ( 0.633 -5.170 -2.931) 5.976 6.057 ( 0.465 -5.061 -6.486) 8.240 6.505 ( 1.132 0.683 4.762) 4.942 6.761 ( -0.508 -1.177 0.939) 1.589 6.907 ( 0.228 0.063 -2.137) 2.150 6.977 ( -0.420 2.670 -3.226) 4.209 7.264 ( 1.868 -0.156 2.205) 2.895 7.377 ( -2.932 0.290 -2.161) 3.654 7.575 ( -1.952 -1.178 2.218) 3.181 7.663 ( 0.852 -2.071 0.881) 2.407 7.897 ( 0.537 1.325 2.278) 2.690 8.038 ( -0.032 -0.765 -1.666) 1.833 10.994 ( 0.316 0.303 0.331) 0.549 11.068 ( 0.141 -0.435 -1.900) 1.954 12.724 ( -0.254 -1.271 0.100) 1.300 12.756 ( 1.467 -1.201 0.044) 1.897 16.028 ( -0.139 0.373 2.125) 2.162 16.129 ( -0.746 -1.444 -1.117) 1.972 16.401 ( -0.362 0.384 0.485) 0.717 16.444 ( 0.141 0.755 -0.233) 0.802 16.720 ( -1.053 0.195 4.455) 4.581 16.833 ( -1.483 4.791 2.607) 5.652 16.911 ( -1.608 0.658 -1.377) 2.217 17.068 ( 0.721 -0.394 -0.458) 0.941 17.236 ( 0.860 2.260 -2.929) 3.798 17.295 ( -0.301 3.862 -2.953) 4.870 ======================= Grid point 78 (36/92) ======================= q-point: (-0.33 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( -10.263 6.374 -1.092) 12.131 0.831 ( -6.240 2.554 1.060) 6.826 1.092 ( 2.281 -1.094 4.873) 5.490 1.130 ( 0.210 -2.978 -0.912) 3.122 1.183 ( 2.058 -0.074 -2.287) 3.077 1.293 ( 0.705 -0.904 -1.081) 1.576 1.331 ( -2.367 4.888 -0.684) 5.474 1.538 ( 0.205 -4.030 -1.767) 4.405 1.576 ( -5.312 1.431 -1.234) 5.638 1.589 ( -1.247 -1.093 3.084) 3.502 1.736 ( 0.308 3.301 -2.965) 4.448 1.942 ( 6.653 -1.418 -0.243) 6.807 2.373 ( -9.722 3.025 0.808) 10.214 2.432 ( -10.962 4.718 0.646) 11.952 2.754 ( 0.246 3.726 -6.375) 7.388 2.912 ( 2.743 -0.965 4.609) 5.450 3.082 ( 1.543 6.209 2.394) 6.831 3.270 ( 2.402 -0.566 8.796) 9.135 3.314 ( -3.966 -5.195 -3.901) 7.611 3.397 ( 2.557 -2.962 1.707) 4.269 3.547 ( -1.011 -4.503 3.058) 5.536 3.736 ( 3.550 1.231 2.619) 4.580 3.823 ( 6.674 -1.061 -3.065) 7.421 3.969 ( 0.785 -4.958 2.416) 5.571 4.004 ( 0.858 1.685 -4.645) 5.015 4.101 ( 0.748 -0.622 -1.349) 1.663 4.510 ( -1.347 0.996 1.369) 2.164 4.602 ( 1.603 3.774 0.924) 4.203 5.000 ( 0.877 -3.520 -1.036) 3.772 5.199 ( 3.417 1.342 -4.268) 5.629 5.359 ( 0.215 0.527 2.322) 2.391 5.579 ( -1.321 -2.560 2.562) 3.855 5.697 ( 1.972 4.445 1.704) 5.153 5.805 ( -1.571 0.557 0.850) 1.871 5.909 ( 3.093 -5.338 -2.384) 6.614 5.978 ( -0.173 -2.880 -6.435) 7.053 6.579 ( -0.278 -1.059 5.108) 5.225 6.722 ( -2.343 -2.756 -3.249) 4.862 6.894 ( 0.500 2.544 -0.867) 2.734 6.943 ( 0.400 2.096 -1.772) 2.774 7.286 ( -3.517 0.701 -2.533) 4.390 7.347 ( 2.895 -0.152 3.442) 4.500 7.563 ( -2.044 -1.220 1.434) 2.779 7.677 ( -0.137 -1.922 0.950) 2.148 7.932 ( -0.116 0.906 1.820) 2.036 8.024 ( 1.254 -0.440 -1.500) 2.004 11.009 ( 0.741 0.252 0.533) 0.947 11.052 ( 0.535 -0.132 -1.709) 1.795 12.724 ( 0.111 -1.053 -0.022) 1.059 12.784 ( 1.970 -1.195 -0.527) 2.363 16.045 ( -0.863 -0.256 2.280) 2.451 16.091 ( -1.802 -1.075 -1.674) 2.684 16.402 ( -0.277 0.550 0.581) 0.847 16.445 ( 0.290 1.125 -0.218) 1.183 16.732 ( -3.810 -0.634 3.398) 5.144 16.841 ( -1.746 2.867 4.415) 5.546 16.871 ( -1.735 1.835 0.190) 2.532 17.064 ( 0.874 0.173 -2.018) 2.206 17.215 ( -0.961 2.140 -3.236) 3.997 17.267 ( 1.864 3.771 -1.823) 4.585 ======================= Grid point 79 (37/92) ======================= q-point: (-0.22 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.636 ( -11.551 7.967 1.468) 14.109 0.719 ( -9.551 5.415 -0.744) 11.004 1.018 ( -10.337 5.714 -4.135) 12.514 1.138 ( -2.614 -0.637 1.075) 2.897 1.175 ( 0.702 -0.852 1.746) 2.066 1.293 ( 1.211 4.158 -1.295) 4.520 1.306 ( -1.298 0.097 0.678) 1.468 1.413 ( -5.844 -0.115 0.727) 5.891 1.558 ( 1.627 -1.848 -0.539) 2.521 1.625 ( 0.085 -0.031 0.968) 0.972 1.712 ( 0.431 1.132 -1.934) 2.282 2.071 ( 4.746 -1.478 0.632) 5.010 2.129 ( -12.098 7.091 0.047) 14.023 2.321 ( -5.236 2.010 1.346) 5.767 2.762 ( 5.967 2.568 -4.724) 8.032 2.968 ( 0.706 -1.882 2.598) 3.285 3.091 ( -1.313 3.431 -2.538) 4.464 3.216 ( -3.428 -3.102 1.543) 4.874 3.411 ( -0.099 -5.276 4.137) 6.705 3.432 ( 0.406 -0.784 1.732) 1.944 3.571 ( -0.927 -0.063 4.832) 4.920 3.826 ( 1.791 -2.276 -3.410) 4.473 3.849 ( 1.760 -3.343 -0.356) 3.795 3.980 ( 5.462 0.054 -3.437) 6.454 4.038 ( 3.245 -4.956 1.150) 6.035 4.122 ( 1.768 -1.403 0.985) 2.462 4.510 ( 0.235 5.112 1.343) 5.291 4.658 ( 1.976 1.728 2.247) 3.455 5.019 ( 3.092 -3.153 -1.141) 4.562 5.209 ( 3.462 0.259 -3.858) 5.190 5.392 ( -0.159 1.119 2.496) 2.740 5.569 ( -2.454 -2.466 1.217) 3.685 5.718 ( -0.033 2.949 -1.116) 3.153 5.800 ( -1.178 0.737 2.508) 2.867 5.867 ( 0.119 -2.921 -5.358) 6.103 6.024 ( 7.271 -3.738 1.137) 8.254 6.574 ( -5.173 -1.276 1.448) 5.522 6.618 ( -4.251 -4.445 -5.123) 8.005 6.889 ( -0.285 3.328 0.420) 3.366 6.986 ( 4.094 -0.207 2.139) 4.623 7.212 ( -2.295 1.267 -1.205) 2.885 7.404 ( -0.495 0.526 1.297) 1.484 7.538 ( -1.991 -1.120 0.232) 2.296 7.700 ( 1.503 -1.786 1.683) 2.878 7.906 ( -2.221 -0.908 -2.563) 3.511 8.060 ( 2.955 2.901 0.465) 4.166 11.026 ( 0.625 -0.175 0.362) 0.743 11.049 ( 0.723 0.120 -0.672) 0.994 12.729 ( 0.584 -0.645 0.049) 0.871 12.802 ( 1.460 -1.224 -1.553) 2.458 16.035 ( -2.009 -0.721 -1.506) 2.612 16.052 ( -1.398 -0.670 1.623) 2.245 16.406 ( -0.101 0.826 0.639) 1.049 16.451 ( 0.615 1.164 -0.094) 1.320 16.674 ( -4.875 0.349 0.490) 4.912 16.835 ( -1.340 -0.097 0.034) 1.344 16.911 ( -1.656 -0.242 9.358) 9.506 17.058 ( 1.297 0.370 -2.029) 2.436 17.128 ( -2.475 2.911 -5.427) 6.637 17.314 ( 3.804 4.679 1.235) 6.155 ======================= Grid point 80 (38/92) ======================= q-point: (-0.11 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.406 ( -9.906 12.942 -4.804) 16.992 0.541 ( -10.279 11.291 7.055) 16.821 0.881 ( -13.348 13.329 16.067) 24.779 1.106 ( -3.092 0.171 3.716) 4.837 1.206 ( 1.080 0.054 -1.206) 1.620 1.254 ( -1.901 2.698 -1.929) 3.823 1.311 ( 2.059 2.150 -0.822) 3.088 1.392 ( 0.310 -2.983 1.514) 3.360 1.572 ( 0.850 -0.474 -1.441) 1.739 1.648 ( 0.946 -0.143 2.618) 2.787 1.707 ( 0.563 -0.739 -0.386) 1.006 1.992 ( -4.293 3.502 8.886) 10.472 2.172 ( 3.383 -1.766 -1.559) 4.122 2.268 ( -3.663 2.868 2.660) 5.359 2.806 ( 6.306 2.139 -5.377) 8.559 2.990 ( -2.262 -2.405 -2.442) 4.107 3.021 ( -0.114 -0.593 -0.241) 0.650 3.220 ( -0.033 0.859 1.412) 1.653 3.359 ( -2.669 -0.256 -4.003) 4.818 3.438 ( -3.691 -5.512 2.893) 7.237 3.611 ( -1.158 1.249 2.765) 3.247 3.768 ( -0.303 -3.157 -3.448) 4.685 3.879 ( 2.534 -3.968 -1.837) 5.054 4.029 ( -0.827 -5.586 0.656) 5.685 4.109 ( 2.430 -2.438 1.204) 3.647 4.168 ( 3.470 -2.277 -0.827) 4.232 4.530 ( 0.856 5.142 -1.711) 5.486 4.719 ( 1.255 0.540 3.963) 4.191 5.090 ( 5.107 -3.346 1.186) 6.219 5.232 ( 3.748 -1.722 -2.424) 4.784 5.394 ( -2.923 -1.390 1.804) 3.705 5.525 ( -2.872 -1.562 -0.844) 3.376 5.687 ( -0.884 3.360 -1.157) 3.662 5.793 ( -0.849 3.948 0.291) 4.049 5.890 ( 4.092 -3.096 1.809) 5.441 6.177 ( 7.959 -4.320 1.524) 9.183 6.442 ( -8.013 -2.196 -3.700) 9.095 6.469 ( -7.932 -1.989 -1.454) 8.306 6.926 ( 0.906 0.164 5.656) 5.730 7.077 ( 2.870 -2.827 0.580) 4.070 7.193 ( 0.680 1.174 0.989) 1.679 7.362 ( -4.295 1.837 -0.628) 4.713 7.512 ( -0.263 0.248 -0.290) 0.464 7.748 ( 1.643 -1.585 0.317) 2.305 7.830 ( -1.952 1.365 -1.492) 2.810 8.099 ( 2.685 4.606 -3.488) 6.371 11.040 ( 0.268 -0.448 0.764) 0.926 11.055 ( 0.444 -0.009 0.007) 0.444 12.747 ( 1.407 -0.132 -0.324) 1.450 12.802 ( 0.734 -1.172 -0.513) 1.475 15.995 ( -0.746 -0.297 -0.881) 1.193 16.042 ( -1.569 -1.076 0.812) 2.069 16.411 ( -0.147 1.231 0.513) 1.342 16.463 ( 0.843 0.794 -0.026) 1.158 16.601 ( -3.776 0.934 0.086) 3.890 16.801 ( -2.949 -1.812 -2.524) 4.284 16.895 ( -5.171 0.267 -2.622) 5.804 17.056 ( 1.375 0.395 -2.565) 2.937 17.115 ( 0.483 0.709 8.328) 8.372 17.419 ( 5.671 3.750 1.033) 6.877 ======================= Grid point 81 (39/92) ======================= q-point: ( 0.00 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.649 ( 1.876 10.790 3.620) 11.534 0.761 ( 0.431 11.266 6.656) 13.093 1.025 ( 0.499 -0.737 2.475) 2.631 1.167 ( -2.091 2.968 -4.145) 5.510 1.240 ( -0.891 2.129 2.469) 3.380 1.307 ( -0.756 -2.878 -1.774) 3.464 1.341 ( 1.913 5.148 5.066) 7.472 1.430 ( 2.038 4.921 0.009) 5.326 1.556 ( -0.254 -0.341 -2.859) 2.890 1.687 ( -1.457 0.769 3.378) 3.758 1.691 ( 1.004 -0.456 3.165) 3.352 2.064 ( -0.358 -3.923 -0.536) 3.975 2.190 ( -0.413 8.613 3.763) 9.409 2.388 ( -0.577 7.163 4.171) 8.309 2.817 ( 0.187 -3.679 -5.394) 6.532 2.839 ( 1.048 -4.714 -0.350) 4.842 3.003 ( -1.146 -1.192 1.283) 2.093 3.207 ( -0.554 -2.779 -5.593) 6.270 3.250 ( 0.387 -3.070 1.224) 3.328 3.404 ( 2.113 0.934 -0.507) 2.365 3.563 ( -3.240 -1.971 -1.320) 4.016 3.657 ( 1.377 -5.559 -3.170) 6.546 3.885 ( -2.805 2.802 2.599) 4.740 3.934 ( 1.542 0.329 -0.253) 1.596 4.114 ( -1.185 -2.301 0.338) 2.610 4.138 ( 1.545 -4.023 -0.083) 4.311 4.603 ( -0.920 5.197 -0.180) 5.281 4.757 ( -1.229 0.618 0.556) 1.484 5.104 ( 0.742 -1.396 1.639) 2.277 5.210 ( 1.174 -3.346 -0.843) 3.645 5.332 ( -1.106 -0.113 -0.769) 1.352 5.433 ( 0.982 -3.261 -2.426) 4.182 5.725 ( 0.392 0.351 -1.027) 1.154 5.827 ( -0.883 0.985 -1.174) 1.768 5.970 ( 0.967 0.668 4.228) 4.389 6.146 ( -0.757 -5.925 0.413) 5.988 6.352 ( 2.048 -0.179 1.062) 2.314 6.389 ( 0.320 -0.459 0.515) 0.761 7.013 ( 0.927 1.616 3.057) 3.580 7.057 ( 0.159 -0.887 -0.299) 0.949 7.193 ( -1.151 0.215 0.231) 1.193 7.308 ( -0.443 -1.058 -1.742) 2.086 7.573 ( 0.209 2.454 1.463) 2.865 7.710 ( -1.681 -1.744 -1.248) 2.725 7.893 ( 1.713 2.463 1.696) 3.446 8.069 ( -1.254 -1.708 -3.938) 4.472 11.046 ( -0.108 -0.102 1.114) 1.124 11.064 ( 0.516 -0.283 0.549) 0.805 12.738 ( -0.116 -0.852 -0.181) 0.878 12.785 ( 1.111 -2.417 -0.154) 2.665 15.985 ( 0.872 -0.586 0.000) 1.051 15.996 ( -0.920 -1.187 -0.106) 1.505 16.444 ( -0.794 1.830 0.597) 2.083 16.485 ( -0.738 0.951 0.308) 1.242 16.588 ( -0.839 1.912 -0.058) 2.089 16.707 ( 1.062 -0.509 -2.923) 3.151 16.921 ( -0.875 4.121 0.732) 4.276 17.055 ( 0.901 -0.130 -1.643) 1.878 17.242 ( 0.442 4.185 4.195) 5.942 17.448 ( -1.157 -0.587 -1.634) 2.086 ======================= Grid point 82 (40/92) ======================= q-point: ( 0.11 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.743 ( 3.761 9.136 5.016) 11.080 0.906 ( 2.552 6.492 8.960) 11.355 1.043 ( 0.108 -0.544 -1.965) 2.041 1.127 ( -0.360 2.537 2.144) 3.341 1.234 ( 0.646 1.155 -3.940) 4.156 1.261 ( -1.306 -2.459 -0.303) 2.801 1.394 ( -0.993 1.967 -6.679) 7.033 1.484 ( 5.203 0.718 3.657) 6.400 1.497 ( -3.189 -1.913 0.144) 3.722 1.717 ( 0.393 -0.244 2.090) 2.140 1.760 ( 1.236 3.387 6.181) 7.156 2.007 ( -2.601 -2.177 -3.600) 4.946 2.286 ( 3.437 5.974 6.611) 9.550 2.459 ( 0.920 6.832 6.612) 9.552 2.733 ( 0.262 -2.158 -7.758) 8.057 2.899 ( 6.311 -2.491 -1.954) 7.060 3.010 ( 0.816 -0.663 1.687) 1.988 3.140 ( 1.553 1.761 -5.333) 5.827 3.246 ( -3.398 -1.028 0.716) 3.621 3.416 ( -3.596 -3.433 0.345) 4.983 3.503 ( 0.499 -0.322 -0.985) 1.150 3.667 ( 4.420 -6.445 -3.532) 8.576 3.856 ( -2.393 2.341 0.590) 3.399 3.947 ( -1.001 1.785 -1.000) 2.278 4.062 ( -5.183 -4.686 0.798) 7.032 4.151 ( 0.164 -2.816 0.914) 2.965 4.589 ( -2.259 4.639 1.850) 5.481 4.721 ( -1.641 2.183 -1.231) 2.996 5.080 ( -4.744 -2.033 0.851) 5.231 5.207 ( -0.395 -4.109 -0.699) 4.187 5.333 ( 2.125 -0.934 -0.745) 2.437 5.465 ( 4.385 -1.188 -1.585) 4.812 5.730 ( 0.677 -1.373 0.357) 1.571 5.797 ( -0.187 -0.448 -1.813) 1.877 5.993 ( -3.693 -0.211 3.441) 5.052 6.079 ( -4.969 -2.706 0.906) 5.730 6.424 ( 3.650 -0.707 -0.821) 3.807 6.474 ( 7.859 -1.451 0.083) 7.992 7.024 ( -2.804 1.231 0.108) 3.065 7.058 ( -0.382 0.247 2.524) 2.564 7.210 ( 2.719 0.208 1.011) 2.909 7.308 ( 2.103 -2.393 -1.384) 3.473 7.578 ( -2.241 1.144 1.453) 2.905 7.638 ( -3.294 -0.696 -1.569) 3.714 7.934 ( 0.311 1.616 0.252) 1.665 8.020 ( 0.789 -0.877 -1.885) 2.224 11.049 ( -0.787 0.242 0.678) 1.067 11.078 ( 0.201 -0.427 0.644) 0.799 12.731 ( -0.748 -0.833 0.319) 1.165 12.787 ( -0.135 -2.484 -1.114) 2.726 15.985 ( 0.055 -0.432 -0.565) 0.714 16.013 ( 2.050 -1.209 0.376) 2.409 16.432 ( -1.193 1.383 0.577) 1.916 16.469 ( -1.259 0.817 0.277) 1.526 16.597 ( 2.109 2.686 -0.452) 3.444 16.730 ( 4.350 0.438 -1.678) 4.683 16.921 ( -0.785 3.811 1.279) 4.096 17.048 ( 0.716 -0.012 -1.923) 2.052 17.302 ( 0.907 2.848 3.803) 4.837 17.402 ( -1.497 1.175 -1.217) 2.259 ======================= Grid point 83 (41/92) ======================= q-point: ( 0.22 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( 4.389 5.437 5.014) 8.600 0.952 ( -1.035 4.599 -3.239) 5.720 1.038 ( -0.013 3.082 2.166) 3.767 1.153 ( -0.704 1.950 2.686) 3.393 1.189 ( 1.461 -1.577 -3.839) 4.400 1.266 ( -1.638 -0.891 -5.311) 5.629 1.291 ( 0.060 -0.572 1.248) 1.375 1.415 ( -3.255 -5.498 -2.190) 6.754 1.595 ( 1.221 1.011 2.099) 2.630 1.740 ( 0.776 -0.478 0.568) 1.075 1.854 ( 1.234 1.580 3.165) 3.747 1.945 ( -0.902 -0.083 0.584) 1.078 2.414 ( 4.233 3.225 2.641) 5.940 2.534 ( 0.661 4.369 2.795) 5.229 2.677 ( 2.707 4.439 -4.091) 6.616 2.979 ( 4.760 2.507 -3.282) 6.301 3.066 ( 3.078 -0.431 0.813) 3.213 3.120 ( -1.099 7.177 -0.486) 7.277 3.209 ( 0.724 -7.930 1.997) 8.210 3.337 ( -4.936 -1.512 0.720) 5.213 3.516 ( 0.137 -3.089 1.374) 3.383 3.724 ( 5.643 -4.237 -2.653) 7.539 3.760 ( -6.853 0.303 -2.189) 7.201 3.920 ( -4.506 -3.284 -0.012) 5.575 3.978 ( -0.717 -0.505 -1.122) 1.424 4.173 ( 0.150 -2.117 1.581) 2.647 4.568 ( -2.064 3.915 1.418) 4.647 4.695 ( -0.957 2.931 0.611) 3.144 5.006 ( -3.763 -2.353 0.149) 4.441 5.168 ( -2.041 -4.297 -2.521) 5.384 5.374 ( 1.653 0.402 1.037) 1.992 5.507 ( 2.333 1.164 -0.986) 2.787 5.759 ( 1.255 -0.516 1.532) 2.046 5.784 ( 0.704 -3.484 -1.697) 3.939 5.924 ( -5.427 -0.816 0.404) 5.502 6.039 ( -1.947 -3.060 0.714) 3.696 6.462 ( 2.360 1.004 -1.178) 2.822 6.590 ( 6.433 -1.204 -1.147) 6.644 6.985 ( -1.614 0.721 0.176) 1.776 7.049 ( -1.909 -1.457 -0.913) 2.569 7.288 ( 4.131 0.464 1.025) 4.282 7.331 ( -0.171 -0.345 2.154) 2.188 7.526 ( -2.148 0.166 -0.501) 2.212 7.610 ( -0.880 -1.127 0.742) 1.611 7.916 ( -0.422 2.408 -1.371) 2.803 8.038 ( 0.784 -1.169 0.851) 1.645 11.036 ( -1.288 0.517 0.176) 1.399 11.084 ( -0.131 -0.811 0.227) 0.852 12.720 ( -1.025 -1.168 0.363) 1.595 12.760 ( -1.128 -2.012 -1.418) 2.708 15.986 ( 0.877 0.429 -0.505) 1.099 16.055 ( 2.200 -1.851 0.307) 2.891 16.422 ( -0.895 1.058 0.692) 1.549 16.455 ( -0.647 0.567 0.177) 0.878 16.639 ( 2.995 3.064 -0.193) 4.289 16.801 ( 5.047 0.717 -0.264) 5.105 16.921 ( -0.981 2.715 1.297) 3.165 17.036 ( 0.576 -0.066 -1.925) 2.010 17.348 ( 0.165 2.821 1.733) 3.315 17.387 ( 0.727 2.836 0.154) 2.931 ======================= Grid point 84 (42/92) ======================= q-point: ( 0.33 0.29 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( -1.628 4.327 -5.587) 7.252 1.035 ( 3.688 3.449 2.062) 5.455 1.055 ( 0.976 1.103 0.345) 1.513 1.144 ( -2.284 -0.098 0.818) 2.428 1.189 ( -1.558 -3.343 -0.927) 3.803 1.217 ( 2.862 -0.319 1.067) 3.071 1.300 ( -2.859 -1.087 0.872) 3.180 1.364 ( 0.044 -5.569 -0.899) 5.641 1.591 ( -1.161 3.216 -0.655) 3.481 1.759 ( 1.491 0.977 -0.553) 1.866 1.853 ( -0.593 0.221 -2.061) 2.155 1.965 ( -1.827 0.166 2.913) 3.443 2.473 ( 4.502 2.679 -2.205) 5.684 2.591 ( 2.411 2.928 2.400) 4.489 2.686 ( -0.094 9.718 -1.487) 9.832 2.959 ( 0.798 4.974 -2.362) 5.564 3.119 ( 3.275 -0.419 -0.871) 3.415 3.153 ( -1.617 -1.293 5.441) 5.822 3.237 ( 0.423 -2.534 -0.989) 2.753 3.309 ( -2.069 -4.430 5.068) 7.042 3.539 ( -1.782 -4.508 3.718) 6.109 3.645 ( -3.304 -0.048 -2.294) 4.023 3.731 ( -2.197 -2.892 -1.224) 3.832 3.847 ( 0.735 -1.754 -1.103) 2.199 4.007 ( 4.144 0.252 -2.353) 4.772 4.179 ( -1.164 -1.505 0.803) 2.065 4.563 ( -0.248 5.073 1.074) 5.191 4.690 ( -1.407 2.505 1.253) 3.134 4.981 ( -0.306 -3.077 2.020) 3.693 5.085 ( -3.008 -3.564 -3.631) 5.911 5.394 ( -0.528 0.512 0.777) 1.070 5.535 ( 1.656 2.138 -0.023) 2.705 5.758 ( -1.539 -1.955 -2.179) 3.307 5.783 ( 0.502 1.112 -0.108) 1.225 5.874 ( -1.354 -3.140 1.368) 3.683 6.013 ( -0.144 -4.558 -2.098) 5.020 6.481 ( 0.980 2.594 -0.186) 2.779 6.671 ( 4.440 -0.836 -0.454) 4.540 6.966 ( -1.047 0.487 -0.909) 1.469 6.999 ( -1.138 -2.998 -0.955) 3.346 7.311 ( -1.218 3.041 -0.248) 3.285 7.380 ( 1.711 0.183 2.508) 3.042 7.523 ( 0.901 -1.531 1.016) 2.046 7.599 ( -1.170 -2.080 0.189) 2.394 7.903 ( 0.249 2.662 -0.582) 2.737 8.051 ( -0.441 -1.206 0.846) 1.538 11.015 ( -1.142 0.601 -0.059) 1.291 11.079 ( -0.213 -1.173 -0.426) 1.266 12.707 ( -0.821 -1.470 0.296) 1.710 12.726 ( -1.033 -1.728 -0.912) 2.211 16.001 ( 1.129 1.015 0.091) 1.521 16.089 ( 1.515 -2.072 0.053) 2.568 16.417 ( -0.649 0.954 0.673) 1.336 16.450 ( -0.268 0.338 0.286) 0.517 16.686 ( 2.257 3.067 0.416) 3.831 16.878 ( 3.466 1.750 0.415) 3.905 16.920 ( -0.705 0.623 1.169) 1.501 17.029 ( 0.838 -0.185 -1.153) 1.438 17.352 ( 0.298 4.087 -1.030) 4.225 17.410 ( 0.820 3.763 0.289) 3.863 ======================= Grid point 85 (43/92) ======================= q-point: ( 0.44 0.29 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.807 ( 2.725 2.696 0.435) 3.857 1.028 ( -1.071 -0.829 -2.315) 2.682 1.099 ( 1.136 1.695 -0.582) 2.122 1.127 ( -1.570 -1.173 1.584) 2.520 1.172 ( -1.628 -3.038 2.350) 4.172 1.241 ( 0.453 -1.428 -1.885) 2.407 1.295 ( 0.846 -0.317 2.152) 2.334 1.382 ( 1.209 -3.910 2.421) 4.755 1.561 ( -0.791 3.841 -1.882) 4.350 1.773 ( 1.140 -1.932 -3.446) 4.112 1.810 ( -0.135 3.919 -1.354) 4.149 1.940 ( -3.048 1.033 0.822) 3.322 2.542 ( 1.471 1.896 0.934) 2.575 2.626 ( 1.196 1.768 0.430) 2.177 2.683 ( 2.886 11.400 0.946) 11.797 2.997 ( 2.827 2.005 1.942) 3.973 3.108 ( -3.280 1.048 -1.192) 3.644 3.175 ( 2.354 -0.447 0.249) 2.409 3.240 ( -3.850 -1.991 3.508) 5.576 3.325 ( -2.582 -4.728 4.990) 7.343 3.509 ( -5.639 -8.015 -1.876) 9.978 3.576 ( 1.441 -2.224 0.328) 2.670 3.758 ( 2.004 2.172 2.203) 3.686 3.856 ( 1.246 0.777 -0.681) 1.618 4.051 ( 4.471 -0.299 -2.842) 5.306 4.151 ( -2.462 -1.328 -0.592) 2.860 4.570 ( -0.710 5.423 0.553) 5.497 4.671 ( -1.441 1.666 -0.130) 2.207 4.993 ( -2.025 -1.634 -0.278) 2.617 5.054 ( 2.568 -3.613 2.741) 5.211 5.378 ( -1.146 0.596 -0.826) 1.534 5.554 ( 0.619 1.676 -0.272) 1.807 5.713 ( 0.159 -0.219 -2.284) 2.300 5.785 ( 0.187 -0.767 -0.426) 0.897 5.874 ( -1.126 -2.526 1.178) 3.006 5.987 ( 1.077 -4.811 -3.940) 6.311 6.498 ( 0.464 3.033 1.263) 3.318 6.723 ( 1.819 -1.506 -0.119) 2.365 6.931 ( -0.216 0.359 -1.633) 1.685 7.005 ( 0.539 -1.130 1.595) 2.028 7.277 ( -1.115 2.901 -1.534) 3.465 7.411 ( -0.420 -0.361 0.482) 0.734 7.552 ( -0.851 -1.588 2.277) 2.903 7.586 ( 0.594 -2.834 -0.237) 2.906 7.908 ( 0.531 2.332 0.174) 2.398 8.043 ( -1.000 -1.228 -0.100) 1.587 11.001 ( -0.401 0.632 0.002) 0.749 11.068 ( -0.056 -1.193 -1.041) 1.584 12.700 ( -0.542 -1.527 0.312) 1.650 12.711 ( 0.187 -1.669 -0.186) 1.690 16.022 ( 0.594 1.079 0.838) 1.489 16.105 ( 0.461 -1.923 -0.240) 1.992 16.415 ( -0.495 0.974 0.664) 1.279 16.452 ( -0.078 0.230 0.404) 0.471 16.721 ( 0.723 2.537 1.176) 2.888 16.916 ( 0.018 4.675 1.622) 4.949 16.922 ( 0.052 -2.641 -0.626) 2.715 17.041 ( 1.114 -0.294 0.279) 1.185 17.338 ( 0.450 5.328 -2.376) 5.851 17.411 ( -0.008 4.256 -1.370) 4.471 ======================= Grid point 86 (44/92) ======================= q-point: (-0.44 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( 1.368 0.244 2.751) 3.082 1.002 ( 0.955 0.369 -0.239) 1.052 1.077 ( -2.776 3.435 0.294) 4.426 1.119 ( 0.441 -1.208 -3.976) 4.179 1.136 ( -2.648 -1.086 1.216) 3.109 1.245 ( 2.630 -2.536 -1.698) 4.029 1.393 ( 2.759 -1.583 6.844) 7.547 1.419 ( 0.386 -1.496 2.080) 2.591 1.524 ( -0.272 1.145 -3.062) 3.280 1.714 ( -0.998 -1.841 -3.657) 4.214 1.824 ( 1.333 4.659 -1.442) 5.056 1.901 ( -1.117 1.688 -0.715) 2.147 2.516 ( -3.085 2.804 -0.462) 4.194 2.623 ( -2.600 1.748 1.071) 3.311 2.829 ( 4.882 7.680 6.416) 11.135 2.984 ( -4.964 3.369 -3.518) 6.955 3.089 ( 0.446 2.773 3.717) 4.659 3.209 ( -1.508 -3.263 2.390) 4.317 3.235 ( 3.195 -1.072 1.593) 3.727 3.322 ( -2.267 -2.891 0.056) 3.674 3.425 ( -1.169 -6.092 0.433) 6.218 3.637 ( 4.377 -2.885 0.831) 5.308 3.780 ( -1.597 1.204 1.993) 2.823 3.887 ( 1.283 -0.439 0.494) 1.443 4.079 ( 1.265 0.811 -3.287) 3.614 4.091 ( -1.152 -1.816 -1.368) 2.549 4.549 ( -1.676 3.035 0.245) 3.476 4.648 ( 0.032 1.183 -1.276) 1.741 4.980 ( -1.038 1.266 2.219) 2.758 5.141 ( 2.951 -2.244 2.450) 4.443 5.355 ( 0.345 0.769 -1.066) 1.359 5.548 ( -0.233 -0.609 -1.043) 1.230 5.721 ( 3.162 -0.694 -1.371) 3.515 5.778 ( -0.611 -2.048 -0.419) 2.178 5.856 ( -1.718 -1.409 -0.006) 2.222 5.959 ( 1.274 -3.501 -4.377) 5.748 6.529 ( 0.351 1.897 2.885) 3.470 6.722 ( -0.634 -2.903 -1.706) 3.426 6.931 ( 0.914 2.341 0.221) 2.523 7.027 ( 0.001 2.094 -0.115) 2.097 7.263 ( 0.932 0.292 0.774) 1.246 7.373 ( -2.727 -0.843 -2.063) 3.522 7.548 ( -1.636 -1.366 1.801) 2.790 7.612 ( 1.078 -2.933 0.754) 3.215 7.928 ( 0.850 1.756 1.444) 2.428 8.018 ( -0.659 -1.227 -1.398) 1.973 11.002 ( 0.392 0.574 0.174) 0.717 11.055 ( 0.253 -0.852 -1.420) 1.676 12.697 ( -0.067 -1.293 0.203) 1.311 12.726 ( 1.358 -1.789 0.126) 2.249 16.037 ( -0.375 0.591 1.363) 1.532 16.098 ( -0.699 -1.612 -0.618) 1.862 16.416 ( -0.383 1.078 0.753) 1.370 16.457 ( 0.124 0.346 0.365) 0.518 16.737 ( -1.090 1.463 2.113) 2.792 16.895 ( -1.276 -2.050 -2.022) 3.149 16.933 ( -0.871 4.714 2.721) 5.512 17.063 ( 0.646 -0.132 0.509) 0.833 17.316 ( 0.238 5.507 -2.136) 5.912 17.379 ( -0.652 4.288 -2.895) 5.214 ======================= Grid point 87 (45/92) ======================= q-point: (-0.33 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.881 ( -2.592 2.477 0.396) 3.607 0.950 ( -7.307 5.854 -2.390) 9.663 1.059 ( 1.037 -2.858 1.350) 3.326 1.102 ( 1.200 0.866 0.393) 1.531 1.165 ( 2.930 -2.022 -0.185) 3.564 1.262 ( 1.031 -1.691 -1.834) 2.699 1.414 ( -0.134 2.840 0.642) 2.915 1.486 ( -0.016 -0.264 -2.159) 2.175 1.526 ( 3.448 -2.980 2.516) 5.205 1.662 ( -3.644 2.939 -0.124) 4.684 1.792 ( -2.138 3.433 -2.604) 4.811 1.919 ( 3.989 -0.545 0.881) 4.121 2.443 ( -4.372 4.095 -0.636) 6.023 2.551 ( -10.131 6.845 2.354) 12.452 2.808 ( -1.293 0.938 -6.432) 6.628 2.943 ( -1.840 3.657 2.128) 4.614 3.162 ( 1.349 -3.573 1.964) 4.295 3.211 ( -2.427 0.878 -0.583) 2.646 3.247 ( -1.531 -2.572 6.339) 7.010 3.360 ( 4.124 0.550 1.433) 4.400 3.469 ( 2.527 -3.080 3.712) 5.445 3.749 ( 7.275 -2.467 0.441) 7.695 3.778 ( 1.101 -2.100 0.081) 2.373 3.866 ( -3.649 -4.118 -0.886) 5.573 4.029 ( 0.170 0.898 -3.364) 3.486 4.092 ( 0.035 -0.578 -0.146) 0.597 4.544 ( 0.062 2.411 2.023) 3.148 4.655 ( 2.011 0.899 -0.562) 2.273 4.988 ( -0.561 2.499 1.157) 2.811 5.187 ( 1.337 -1.590 -0.843) 2.242 5.375 ( 1.484 0.591 1.365) 2.101 5.534 ( -0.004 -2.087 -0.827) 2.245 5.751 ( -0.891 -2.595 -1.062) 2.942 5.786 ( 5.560 -2.846 -0.517) 6.267 5.824 ( -1.340 0.787 -0.672) 1.693 5.928 ( 0.360 -1.674 -3.332) 3.746 6.563 ( -1.253 -0.288 3.257) 3.502 6.667 ( -2.538 -2.809 -3.151) 4.926 6.956 ( 0.881 3.646 1.269) 3.960 6.997 ( -0.785 3.263 -2.644) 4.273 7.288 ( -2.764 -0.652 -2.187) 3.584 7.332 ( 2.147 -1.629 3.412) 4.348 7.541 ( -1.129 -0.723 0.986) 1.664 7.630 ( 0.234 -2.790 0.861) 2.929 7.952 ( -0.530 1.102 0.129) 1.230 8.012 ( 1.868 -0.803 0.444) 2.081 11.014 ( 0.643 0.299 0.117) 0.718 11.046 ( 0.614 -0.447 -1.272) 1.481 12.702 ( 0.429 -0.947 0.046) 1.040 12.752 ( 1.748 -1.982 -0.381) 2.670 16.040 ( -1.262 -0.247 1.415) 1.912 16.068 ( -1.652 -1.146 -0.916) 2.210 16.420 ( -0.199 1.274 0.853) 1.546 16.464 ( 0.270 0.610 0.300) 0.732 16.728 ( -3.151 0.457 2.308) 3.933 16.844 ( -1.805 -1.634 -1.607) 2.917 16.948 ( -1.297 4.713 2.976) 5.723 17.071 ( 0.333 0.353 -0.504) 0.699 17.287 ( -1.591 4.881 -2.245) 5.603 17.345 ( 1.045 3.881 -1.546) 4.307 ======================= Grid point 88 (46/92) ======================= q-point: (-0.22 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.778 ( -6.584 6.353 -3.635) 9.845 0.841 ( -4.872 6.905 0.898) 8.499 1.043 ( -2.396 -2.227 -1.035) 3.431 1.153 ( 2.204 1.045 2.439) 3.450 1.207 ( 2.376 0.410 -1.372) 2.774 1.255 ( -0.442 -0.983 1.963) 2.239 1.395 ( -1.731 5.840 -1.667) 6.315 1.487 ( 0.309 2.244 -2.679) 3.508 1.524 ( -1.561 0.612 -1.985) 2.599 1.636 ( -1.225 2.592 4.883) 5.662 1.723 ( -2.123 0.165 -2.030) 2.942 2.023 ( 4.606 -3.341 1.657) 5.927 2.327 ( -10.664 11.998 -0.184) 16.053 2.402 ( -4.506 7.143 0.883) 8.492 2.771 ( 3.747 -2.555 -5.231) 6.923 2.936 ( -1.796 -1.519 3.057) 3.857 3.072 ( -6.733 -4.281 -0.218) 7.982 3.238 ( 0.851 2.147 0.615) 2.390 3.286 ( -1.307 -5.151 1.064) 5.419 3.426 ( 1.298 -0.274 1.831) 2.262 3.549 ( 0.506 -1.180 4.140) 4.334 3.773 ( -4.322 -5.144 -1.782) 6.951 3.796 ( 3.358 -0.657 -1.102) 3.594 3.914 ( 9.625 -4.330 0.002) 10.554 4.002 ( 0.434 0.045 -2.764) 2.799 4.095 ( -0.231 -1.582 1.407) 2.130 4.596 ( 1.430 3.727 3.466) 5.287 4.687 ( 1.977 0.735 -0.052) 2.110 4.997 ( 1.896 1.293 -0.565) 2.363 5.182 ( 1.029 -2.221 -2.528) 3.519 5.409 ( -0.577 0.210 2.063) 2.152 5.517 ( -1.247 -2.644 -0.878) 3.053 5.748 ( 1.451 -2.845 -0.307) 3.208 5.795 ( 0.501 3.818 -1.259) 4.051 5.875 ( 0.702 1.325 -0.430) 1.560 5.925 ( 5.952 -5.890 0.016) 8.374 6.533 ( -5.359 -2.165 -0.005) 5.779 6.565 ( -5.463 -1.496 -2.109) 6.044 6.963 ( 0.091 3.434 -1.521) 3.757 6.993 ( 1.924 1.242 0.953) 2.481 7.229 ( -1.803 0.610 -0.644) 2.009 7.388 ( -0.863 -2.478 2.544) 3.655 7.535 ( 0.130 1.016 -0.321) 1.074 7.659 ( 1.818 -2.394 1.633) 3.420 7.919 ( -1.530 1.848 -1.869) 3.041 8.073 ( 2.415 -1.278 1.944) 3.353 11.023 ( 0.490 -0.043 -0.058) 0.495 11.047 ( 0.622 -0.324 -0.550) 0.892 12.713 ( 0.897 -0.755 -0.018) 1.173 12.769 ( 1.225 -2.049 -1.083) 2.622 16.020 ( -1.838 -0.707 -0.595) 2.057 16.035 ( -1.693 -0.964 0.734) 2.081 16.429 ( 0.104 1.523 0.884) 1.764 16.472 ( 0.352 0.869 0.311) 0.988 16.682 ( -4.237 0.708 0.965) 4.403 16.803 ( -2.017 -2.458 -0.437) 3.209 16.955 ( -1.584 3.618 2.063) 4.456 17.066 ( 0.354 0.278 -1.037) 1.131 17.223 ( -2.039 6.135 -2.041) 6.779 17.382 ( 2.892 2.224 1.287) 3.869 ======================= Grid point 89 (47/92) ======================= q-point: (-0.11 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.646 ( -3.724 11.302 -2.139) 12.090 0.765 ( -4.697 10.797 1.320) 11.848 1.007 ( -1.171 -0.769 1.007) 1.725 1.207 ( -1.368 5.566 5.452) 7.911 1.224 ( 0.139 3.735 0.315) 3.751 1.284 ( 0.240 -3.584 1.412) 3.859 1.351 ( -1.976 3.859 -0.647) 4.384 1.401 ( -0.236 6.550 -2.397) 6.979 1.553 ( 2.752 -1.439 -0.928) 3.241 1.657 ( -0.011 0.389 0.866) 0.949 1.690 ( -1.966 -0.105 1.942) 2.766 2.066 ( -0.203 -2.152 0.017) 2.162 2.200 ( -4.289 10.420 1.722) 11.399 2.376 ( -1.713 7.711 2.075) 8.167 2.791 ( 3.430 -3.646 -2.075) 5.419 2.917 ( -3.742 -4.592 -1.101) 6.025 3.002 ( -2.406 -1.500 3.090) 4.194 3.219 ( -1.338 -9.588 -0.085) 9.681 3.280 ( 1.539 2.602 -3.258) 4.444 3.413 ( -1.880 0.430 -1.226) 2.285 3.588 ( -0.390 -2.978 2.025) 3.622 3.695 ( -1.895 -4.142 -2.354) 5.127 3.849 ( 2.788 1.073 0.669) 3.061 3.966 ( -2.514 -0.715 -0.318) 2.633 4.059 ( 6.603 -3.299 0.003) 7.381 4.117 ( 1.233 -2.953 0.389) 3.224 4.625 ( -0.098 4.599 -0.981) 4.704 4.733 ( 1.181 0.414 2.988) 3.240 5.048 ( 3.784 -0.405 0.271) 3.815 5.183 ( 2.635 -2.712 -2.024) 4.289 5.386 ( -3.587 0.140 0.312) 3.603 5.474 ( -2.041 -3.137 -1.495) 4.030 5.740 ( -0.231 1.200 -1.603) 2.015 5.849 ( 0.743 1.939 -1.462) 2.539 5.870 ( 3.280 0.935 3.857) 5.149 6.063 ( 7.405 -6.628 1.061) 9.994 6.404 ( -6.455 -1.134 -1.416) 6.706 6.450 ( -6.577 -0.723 -0.111) 6.618 6.969 ( 1.053 2.776 0.962) 3.121 7.037 ( 2.271 -1.309 -0.167) 2.626 7.208 ( -1.115 0.935 0.694) 1.613 7.360 ( -3.477 -1.751 0.055) 3.894 7.546 ( 1.295 2.835 0.269) 3.128 7.710 ( 1.815 -2.262 0.594) 2.960 7.877 ( -0.933 3.287 -0.539) 3.459 8.109 ( 0.626 -2.341 -1.015) 2.628 11.033 ( 0.297 -0.192 0.639) 0.730 11.052 ( 0.432 -0.323 0.023) 0.540 12.731 ( 1.168 -1.002 -0.122) 1.544 12.772 ( 0.621 -1.810 -0.668) 2.027 15.988 ( -0.795 -0.386 -0.593) 1.064 16.016 ( -1.591 -1.429 0.529) 2.203 16.442 ( 0.083 1.810 0.765) 1.966 16.483 ( 0.330 0.990 0.367) 1.106 16.623 ( -3.230 1.344 0.240) 3.506 16.754 ( -2.352 -2.630 -1.761) 3.944 16.938 ( -1.601 3.356 0.187) 3.723 17.060 ( 0.613 -0.135 -1.496) 1.622 17.201 ( -0.571 6.491 2.361) 6.931 17.446 ( 2.378 -0.239 0.513) 2.444 ======================= Grid point 90 (48/92) ======================= q-point: ( 0.00 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.831 ( 1.671 7.651 1.063) 7.903 0.922 ( 1.400 0.907 0.807) 1.853 1.019 ( -0.358 4.614 4.492) 6.449 1.163 ( -0.768 -7.411 2.589) 7.888 1.239 ( -1.821 3.895 -3.745) 5.702 1.288 ( -0.263 -0.770 -2.935) 3.046 1.438 ( 2.988 3.855 -1.197) 5.022 1.479 ( 1.341 -0.181 -3.690) 3.930 1.557 ( -1.033 1.274 -1.000) 1.921 1.616 ( 1.030 -4.164 -0.052) 4.290 1.808 ( -1.159 7.993 6.535) 10.389 1.956 ( -0.462 -6.881 1.186) 6.998 2.424 ( 0.195 13.047 -1.866) 13.181 2.528 ( 0.381 5.721 1.401) 5.902 2.702 ( -2.126 -6.913 -2.956) 7.814 2.728 ( 0.318 -6.659 3.681) 7.615 2.997 ( -0.619 1.326 3.102) 3.430 3.070 ( 0.497 -6.276 3.403) 7.156 3.298 ( 0.967 3.882 -3.791) 5.512 3.380 ( 0.992 -3.826 -1.707) 4.305 3.535 ( -0.492 0.537 -1.622) 1.778 3.575 ( -0.661 -3.067 -2.673) 4.122 3.955 ( -2.218 2.979 1.746) 4.104 3.960 ( 1.530 2.069 1.098) 2.798 4.056 ( -1.247 -2.468 -0.040) 2.766 4.072 ( 1.502 -2.996 -0.110) 3.353 4.696 ( -1.141 4.058 1.038) 4.342 4.750 ( -1.246 -1.529 1.618) 2.551 5.116 ( 0.910 2.103 0.646) 2.380 5.161 ( 0.579 -2.228 -0.128) 2.306 5.335 ( -0.851 0.696 -2.364) 2.607 5.370 ( 0.828 -2.910 -2.778) 4.107 5.739 ( 0.162 1.887 -2.634) 3.244 5.798 ( -0.377 -3.421 -2.961) 4.540 6.002 ( 0.784 2.388 3.692) 4.467 6.056 ( 0.259 -3.387 2.737) 4.362 6.356 ( 1.093 0.664 0.554) 1.394 6.374 ( 0.295 -1.001 0.158) 1.055 7.038 ( 1.410 0.774 1.409) 2.138 7.047 ( 1.310 -0.297 0.557) 1.454 7.219 ( -1.281 2.398 -0.488) 2.762 7.271 ( -1.108 -2.578 -1.379) 3.126 7.622 ( -0.680 2.601 0.586) 2.751 7.670 ( -1.313 -2.338 -0.324) 2.701 7.950 ( 0.476 3.351 0.348) 3.402 8.016 ( -0.723 -3.321 -1.525) 3.726 11.048 ( 0.118 0.310 1.039) 1.090 11.056 ( 0.335 -0.481 0.781) 0.977 12.728 ( 0.150 0.125 -0.125) 0.231 12.745 ( 0.524 -1.589 -0.207) 1.686 15.976 ( 0.323 -0.248 0.001) 0.408 15.978 ( -0.304 -0.564 0.000) 0.641 16.477 ( -1.127 1.390 0.694) 1.919 16.493 ( -1.146 -0.213 0.694) 1.357 16.629 ( 0.577 2.372 -1.026) 2.648 16.676 ( 1.295 -2.295 -1.806) 3.194 16.995 ( -0.230 3.219 0.185) 3.233 17.040 ( 0.276 -1.486 -0.554) 1.610 17.338 ( -0.038 4.985 1.690) 5.264 17.416 ( -0.577 -2.859 -0.121) 2.919 ======================= Grid point 91 (49/92) ======================= q-point: ( 0.11 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.900 ( 3.787 6.761 2.448) 8.127 0.989 ( 3.367 -1.298 3.037) 4.716 1.056 ( -0.814 4.777 2.424) 5.419 1.161 ( -2.320 -3.218 1.747) 4.334 1.209 ( 0.781 1.149 0.390) 1.443 1.244 ( 0.261 -0.545 -3.358) 3.412 1.408 ( -2.571 0.168 -7.369) 7.807 1.433 ( -2.417 -2.603 -5.572) 6.608 1.552 ( 3.146 4.619 2.440) 6.098 1.648 ( 3.027 -4.935 -0.157) 5.791 1.863 ( -1.417 5.419 5.663) 7.965 1.952 ( -2.064 -3.693 0.974) 4.342 2.441 ( 2.796 8.933 0.252) 9.364 2.562 ( 1.396 -0.138 -0.395) 1.458 2.699 ( 2.528 1.912 2.127) 3.817 2.810 ( 4.680 -6.432 3.252) 8.594 3.019 ( 1.499 1.950 0.336) 2.482 3.082 ( 1.027 -4.255 -2.064) 4.839 3.307 ( 1.053 4.237 0.049) 4.366 3.375 ( -1.752 -2.020 0.256) 2.686 3.504 ( -0.207 0.474 -2.415) 2.470 3.543 ( 2.767 -4.738 -3.762) 6.652 3.911 ( -5.267 2.944 0.383) 6.046 3.975 ( -6.123 -3.962 0.651) 7.321 4.002 ( 0.199 3.769 -0.185) 3.779 4.081 ( 0.193 -4.116 0.771) 4.192 4.681 ( -2.746 4.231 1.793) 5.353 4.734 ( -2.179 -1.040 1.004) 2.615 5.085 ( -3.507 1.939 -0.661) 4.062 5.137 ( -2.045 -3.240 -0.946) 3.946 5.346 ( 4.351 2.596 -0.840) 5.136 5.417 ( 5.930 -3.777 -0.764) 7.072 5.709 ( -0.748 0.357 -1.743) 1.930 5.750 ( -0.993 -3.312 -3.149) 4.677 6.012 ( -3.575 1.514 2.678) 4.717 6.041 ( -3.908 -1.524 2.231) 4.751 6.422 ( 4.866 0.586 -0.278) 4.909 6.444 ( 6.579 -1.520 0.073) 6.753 7.052 ( -1.772 1.336 0.077) 2.221 7.065 ( -0.741 0.040 0.955) 1.210 7.222 ( 2.536 1.261 0.369) 2.857 7.260 ( 1.944 -2.474 -0.847) 3.259 7.599 ( -2.915 1.076 0.718) 3.189 7.620 ( -3.287 -1.087 -0.272) 3.473 7.967 ( 0.504 1.695 0.072) 1.769 7.997 ( 0.468 -1.428 -0.828) 1.715 11.056 ( -0.473 0.499 0.767) 1.030 11.068 ( -0.130 -0.608 0.695) 0.932 12.724 ( -0.591 0.273 -0.086) 0.656 12.744 ( -0.293 -1.803 -0.560) 1.911 15.982 ( 0.793 0.184 -0.197) 0.838 15.992 ( 1.459 -0.886 0.081) 1.709 16.459 ( -1.539 1.204 0.536) 2.026 16.474 ( -1.610 -0.310 0.509) 1.716 16.652 ( 3.045 2.920 -0.829) 4.300 16.705 ( 3.868 -2.422 -1.171) 4.712 16.993 ( -0.394 3.209 0.150) 3.236 17.037 ( 0.099 -1.343 -0.814) 1.574 17.366 ( 0.886 3.168 1.910) 3.804 17.407 ( -0.015 -0.858 0.049) 0.859 ======================= Grid point 92 (50/92) ======================= q-point: ( 0.22 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( 2.058 5.681 1.358) 6.193 1.046 ( 1.404 3.334 -0.356) 3.635 1.084 ( 0.645 1.175 4.446) 4.644 1.131 ( -1.847 -3.170 -1.118) 3.835 1.200 ( 0.809 1.975 -3.738) 4.305 1.247 ( -2.860 -2.296 -6.756) 7.687 1.264 ( -0.988 0.262 1.689) 1.975 1.317 ( -4.301 -4.345 -1.975) 6.425 1.632 ( 2.279 2.882 1.234) 3.876 1.696 ( 2.539 -3.340 -0.081) 4.196 1.896 ( -0.531 2.292 2.406) 3.365 1.932 ( -0.857 -1.329 1.869) 2.448 2.496 ( 3.286 4.751 -0.721) 5.822 2.566 ( 2.141 -1.558 -2.404) 3.576 2.796 ( 3.837 7.831 3.252) 9.307 2.945 ( 6.525 -6.146 2.585) 9.329 3.060 ( 2.855 0.149 -0.220) 2.867 3.087 ( 0.303 -3.387 0.214) 3.407 3.265 ( -4.013 6.285 -2.085) 7.743 3.330 ( -4.105 -0.396 0.562) 4.162 3.498 ( 1.966 1.715 -0.294) 2.625 3.593 ( 5.147 -7.272 -1.544) 9.042 3.789 ( -6.782 1.902 -1.198) 7.145 3.840 ( -7.739 -3.651 -0.237) 8.560 4.024 ( 1.540 3.788 -0.108) 4.090 4.105 ( 0.911 -4.347 0.931) 4.538 4.654 ( -2.378 4.322 2.020) 5.331 4.712 ( -1.976 -1.286 1.889) 3.021 5.018 ( -2.464 2.828 -1.754) 4.141 5.088 ( -1.635 -4.029 -2.338) 4.937 5.419 ( 2.923 4.376 0.860) 5.332 5.505 ( 4.227 -2.586 -0.147) 4.957 5.682 ( -1.135 -2.544 -0.551) 2.840 5.709 ( 0.041 -3.848 -0.465) 3.876 5.960 ( -3.840 2.576 0.082) 4.625 6.001 ( -2.679 -1.687 0.330) 3.183 6.495 ( 4.173 2.415 -0.677) 4.869 6.549 ( 5.835 -2.807 -0.593) 6.502 7.004 ( -2.097 1.221 -1.483) 2.844 7.027 ( -2.161 -1.060 -2.284) 3.318 7.299 ( 3.852 0.668 2.088) 4.432 7.315 ( 2.423 -1.004 2.749) 3.799 7.545 ( -3.156 1.554 0.133) 3.520 7.579 ( -2.251 -1.887 0.645) 3.008 7.964 ( -0.063 2.469 -0.477) 2.515 8.008 ( 0.372 -1.958 0.558) 2.070 11.049 ( -0.986 0.813 0.146) 1.286 11.066 ( -0.565 -0.952 0.139) 1.116 12.707 ( -1.069 0.058 -0.164) 1.083 12.723 ( -1.066 -1.531 -0.798) 2.029 15.999 ( 1.475 0.923 -0.208) 1.753 16.022 ( 1.884 -1.481 0.036) 2.397 16.443 ( -1.040 1.029 0.621) 1.589 16.457 ( -1.009 -0.343 0.482) 1.170 16.702 ( 3.480 3.444 -0.379) 4.911 16.768 ( 4.286 -3.144 -0.388) 5.330 16.984 ( -0.639 3.059 0.124) 3.127 17.025 ( -0.083 -1.196 -0.908) 1.504 17.405 ( 1.347 2.449 1.035) 2.981 17.424 ( 1.583 0.628 0.585) 1.801 ======================= Grid point 93 (51/92) ======================= q-point: ( 0.33 0.43 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( -2.408 6.767 -4.515) 8.484 1.057 ( -1.514 -3.125 -4.537) 5.713 1.114 ( -2.793 -1.539 1.740) 3.633 1.120 ( 3.032 4.581 -0.425) 5.510 1.131 ( -3.186 -1.339 2.288) 4.145 1.200 ( 2.478 -2.576 -1.631) 3.929 1.263 ( -1.566 -0.945 1.433) 2.324 1.285 ( -0.532 -2.578 2.038) 3.329 1.658 ( 0.661 3.764 -0.378) 3.840 1.728 ( 1.745 -3.173 -1.107) 3.786 1.898 ( -0.755 3.153 0.334) 3.259 1.949 ( -1.108 -1.863 2.085) 3.008 2.539 ( 4.182 3.878 -1.608) 5.925 2.601 ( 3.534 -1.872 -0.922) 4.104 2.865 ( 1.651 8.958 -0.301) 9.114 3.025 ( -3.119 -5.189 -0.381) 6.066 3.076 ( 2.663 1.710 1.465) 3.488 3.113 ( 2.970 -1.296 1.061) 3.410 3.220 ( -0.925 0.731 1.406) 1.835 3.258 ( -5.113 -2.261 2.355) 6.066 3.514 ( -3.547 1.903 2.069) 4.526 3.583 ( -5.481 -4.488 -0.311) 7.091 3.739 ( 3.361 2.294 -1.235) 4.253 3.795 ( 4.338 -3.290 -1.263) 5.589 4.043 ( 1.143 3.328 -0.682) 3.584 4.119 ( -0.156 -4.132 0.191) 4.140 4.658 ( -0.391 4.275 2.256) 4.850 4.711 ( -1.351 -0.852 1.900) 2.482 4.972 ( -0.795 1.776 -0.372) 1.981 5.024 ( -2.005 -3.022 -2.741) 4.546 5.440 ( -0.550 4.524 -0.059) 4.558 5.546 ( 1.544 -4.146 -1.347) 4.625 5.659 ( -0.475 0.527 0.138) 0.723 5.746 ( 1.407 -6.228 2.001) 6.691 5.899 ( -2.036 4.065 -1.484) 4.783 5.961 ( -0.957 -2.353 -1.731) 3.074 6.545 ( 2.407 4.037 -0.223) 4.705 6.625 ( 3.870 -3.748 -0.361) 5.399 6.965 ( -1.171 -0.494 -1.236) 1.773 6.967 ( -0.835 -0.268 -1.434) 1.680 7.361 ( 0.560 1.857 0.917) 2.146 7.380 ( 1.217 -0.300 2.528) 2.822 7.514 ( -0.609 0.821 0.501) 1.138 7.551 ( -1.641 -2.606 0.195) 3.086 7.960 ( -0.100 3.031 -0.111) 3.034 8.015 ( -0.445 -2.510 0.654) 2.632 11.031 ( -0.886 1.075 -0.234) 1.413 11.055 ( -0.533 -1.311 -0.374) 1.464 12.688 ( -0.905 -0.310 -0.033) 0.957 12.697 ( -1.002 -1.127 -0.500) 1.589 16.024 ( 1.447 1.302 0.050) 1.947 16.052 ( 1.537 -1.699 0.029) 2.291 16.437 ( -0.692 0.958 0.695) 1.371 16.450 ( -0.605 -0.378 0.579) 0.919 16.751 ( 2.455 3.708 -0.098) 4.448 16.827 ( 2.831 -4.046 -0.240) 4.945 16.981 ( -0.179 3.051 0.652) 3.125 17.019 ( 0.281 -1.041 -0.228) 1.102 17.431 ( 1.384 3.288 -0.556) 3.611 17.457 ( 1.511 0.743 -0.065) 1.685 ======================= Grid point 94 (52/92) ======================= q-point: ( 0.44 0.43 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( 0.745 5.184 -1.391) 5.419 0.984 ( -0.885 -4.151 -2.973) 5.182 1.107 ( -0.900 -0.391 1.857) 2.100 1.118 ( -1.726 -1.440 3.254) 3.955 1.144 ( 1.435 2.090 -2.040) 3.254 1.195 ( 0.886 -2.859 -3.017) 4.250 1.297 ( 0.327 0.635 3.840) 3.906 1.323 ( 0.704 -2.120 4.398) 4.933 1.638 ( -0.844 4.021 -3.032) 5.106 1.712 ( -0.276 -3.590 -4.002) 5.384 1.895 ( 0.096 3.829 0.811) 3.915 1.944 ( -1.812 -1.031 1.813) 2.763 2.588 ( 2.239 2.664 -1.332) 3.726 2.631 ( 1.755 -1.248 -1.833) 2.828 2.882 ( 2.775 8.444 0.445) 8.899 2.994 ( -0.245 -2.887 1.475) 3.252 3.132 ( 0.683 1.394 2.853) 3.248 3.165 ( -0.903 1.734 1.905) 2.730 3.198 ( -3.441 -3.247 1.310) 4.909 3.243 ( -2.393 -4.293 5.874) 7.659 3.446 ( -3.316 1.889 -1.242) 4.013 3.514 ( -0.284 -3.964 -0.427) 3.997 3.812 ( 3.133 3.037 0.614) 4.406 3.857 ( 2.643 -1.142 -0.459) 2.915 4.054 ( 1.723 1.291 -1.048) 2.395 4.102 ( -1.263 -3.177 -0.831) 3.519 4.656 ( -1.853 3.206 -0.750) 3.778 4.689 ( -1.932 -0.201 -0.870) 2.128 4.989 ( 0.179 0.772 1.844) 2.007 5.010 ( 2.147 -1.402 3.366) 4.231 5.420 ( -0.750 4.279 -1.147) 4.493 5.534 ( 0.442 -6.163 -3.043) 6.888 5.660 ( -0.070 2.766 0.221) 2.776 5.763 ( -0.754 -6.520 -0.430) 6.578 5.870 ( 0.227 4.260 -0.868) 4.354 5.934 ( 0.545 -2.380 -2.252) 3.322 6.572 ( 0.755 4.587 0.276) 4.657 6.663 ( 1.213 -4.448 -0.706) 4.664 6.948 ( 0.654 1.451 0.354) 1.631 6.980 ( 1.207 -1.591 2.006) 2.830 7.342 ( -1.726 3.486 -1.684) 4.239 7.395 ( -1.159 -1.664 -0.412) 2.069 7.528 ( -0.381 -0.665 1.695) 1.860 7.537 ( 0.407 -1.770 0.234) 1.832 7.957 ( -0.030 2.697 -0.044) 2.697 8.007 ( -0.807 -2.357 0.009) 2.492 11.018 ( -0.252 1.135 -0.279) 1.196 11.043 ( -0.118 -1.372 -0.667) 1.530 12.679 ( -0.341 -0.474 0.238) 0.631 12.684 ( -0.052 -0.938 0.033) 0.940 16.045 ( 0.631 1.237 0.369) 1.437 16.071 ( 0.573 -1.556 0.021) 1.658 16.435 ( -0.484 0.988 0.768) 1.341 16.450 ( -0.347 -0.445 0.708) 0.905 16.778 ( 0.770 3.399 -0.063) 3.486 16.851 ( 0.690 -4.065 -0.798) 4.199 16.993 ( 0.069 3.049 1.508) 3.402 17.031 ( 0.552 -0.995 0.984) 1.504 17.435 ( 0.635 3.818 -1.850) 4.290 17.465 ( 0.398 0.853 -1.571) 1.831 ======================= Grid point 95 (53/92) ======================= q-point: (-0.44 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.908 ( 1.520 2.500 0.448) 2.960 0.968 ( 1.575 -3.230 -0.899) 3.704 1.111 ( 0.634 0.261 -1.242) 1.419 1.120 ( -1.699 -0.190 -0.165) 1.718 1.143 ( 0.183 2.533 0.119) 2.542 1.192 ( 2.417 -2.599 -1.854) 4.004 1.369 ( 1.991 -0.348 5.452) 5.815 1.383 ( 0.534 -1.576 4.421) 4.724 1.578 ( -0.861 3.628 -3.549) 5.148 1.652 ( -0.174 -3.898 -3.986) 5.578 1.908 ( -0.179 3.168 0.370) 3.195 1.932 ( -1.664 0.667 0.880) 1.997 2.575 ( -0.440 3.176 -2.434) 4.026 2.624 ( 0.124 -1.467 -1.361) 2.005 2.959 ( -1.206 4.840 3.146) 5.897 3.013 ( -0.990 -0.929 1.490) 2.016 3.112 ( -2.604 0.110 1.593) 3.055 3.157 ( -0.965 -4.470 1.188) 4.724 3.197 ( 0.375 4.059 3.563) 5.414 3.290 ( -0.149 -4.587 4.830) 6.663 3.422 ( 2.440 6.204 -1.199) 6.774 3.550 ( 3.630 -6.065 0.279) 7.074 3.816 ( -2.669 2.517 0.977) 3.797 3.866 ( -1.901 -2.077 0.149) 2.819 4.067 ( -0.086 -0.302 -0.862) 0.918 4.076 ( 1.218 -0.750 -1.969) 2.434 4.604 ( -1.662 2.502 -1.341) 3.290 4.643 ( -0.780 -1.401 -1.876) 2.468 5.041 ( 0.519 3.943 4.336) 5.884 5.102 ( 2.026 -2.283 4.403) 5.357 5.396 ( 0.769 4.068 -2.337) 4.754 5.499 ( 0.796 -5.275 -4.315) 6.862 5.665 ( 0.433 0.457 0.479) 0.791 5.729 ( -1.164 -4.957 -1.537) 5.319 5.874 ( 0.852 3.089 -0.599) 3.260 5.922 ( 0.925 -1.736 -2.303) 3.029 6.581 ( -0.295 3.421 0.750) 3.515 6.654 ( -0.625 -3.938 -1.304) 4.195 6.987 ( 1.474 3.209 2.401) 4.271 7.037 ( 1.203 -1.331 2.756) 3.288 7.288 ( -1.150 2.393 -2.151) 3.417 7.341 ( -2.475 -2.510 -2.673) 4.424 7.534 ( -0.598 0.264 1.489) 1.626 7.560 ( 0.601 -2.223 0.959) 2.495 7.962 ( 0.475 1.665 0.336) 1.764 7.992 ( -0.331 -1.487 -0.697) 1.675 11.017 ( 0.388 0.912 -0.253) 1.022 11.036 ( 0.348 -1.064 -0.835) 1.396 12.682 ( 0.358 -0.103 0.277) 0.464 12.694 ( 0.926 -1.262 0.239) 1.583 16.051 ( -0.555 0.827 0.557) 1.141 16.070 ( -0.635 -1.229 -0.082) 1.386 16.438 ( -0.291 1.111 0.882) 1.448 16.455 ( -0.088 -0.524 0.788) 0.950 16.777 ( -0.844 2.664 0.078) 2.795 16.837 ( -0.802 -3.397 -1.294) 3.722 17.013 ( -0.397 3.239 2.216) 3.945 17.054 ( 0.155 -1.074 1.580) 1.917 17.412 ( -0.429 3.561 -2.248) 4.234 17.436 ( -0.735 1.105 -2.619) 2.936 ======================= Grid point 96 (54/92) ======================= q-point: (-0.33 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( 0.368 2.739 -0.148) 2.768 0.989 ( 0.575 -3.140 -1.240) 3.425 1.046 ( -3.279 3.389 -1.319) 4.897 1.109 ( 0.759 -3.003 -2.207) 3.804 1.153 ( 0.872 3.353 0.315) 3.478 1.220 ( 2.355 -3.022 -0.685) 3.892 1.437 ( 2.031 1.153 2.276) 3.261 1.472 ( 3.485 -2.245 1.376) 4.368 1.549 ( 0.114 4.709 -0.615) 4.751 1.639 ( 1.319 -4.018 -0.542) 4.264 1.879 ( -3.704 3.963 0.053) 5.425 1.917 ( -0.594 -0.336 1.138) 1.327 2.534 ( -0.840 5.303 -2.084) 5.760 2.620 ( -0.118 -1.705 0.590) 1.808 2.845 ( -8.791 4.932 -2.551) 10.398 2.958 ( -5.905 -4.402 0.017) 7.366 3.104 ( -3.478 1.978 1.507) 4.275 3.180 ( -2.766 -4.237 2.976) 5.870 3.274 ( 4.559 4.068 2.563) 6.625 3.353 ( 2.315 -3.304 2.245) 4.616 3.487 ( 4.727 5.465 1.259) 7.335 3.620 ( 4.055 -7.737 0.357) 8.742 3.785 ( -1.332 1.176 0.461) 1.835 3.816 ( -2.515 -1.884 0.049) 3.143 4.047 ( -0.402 1.105 -1.623) 2.004 4.072 ( -0.291 -1.371 -0.665) 1.551 4.595 ( 1.148 2.631 0.932) 3.017 4.640 ( 1.834 -1.896 -0.175) 2.644 5.071 ( -1.256 4.920 1.623) 5.331 5.148 ( -0.711 -2.805 1.270) 3.160 5.401 ( 1.725 2.792 -0.718) 3.359 5.477 ( 1.533 -4.141 -2.886) 5.275 5.688 ( 1.139 -1.080 0.487) 1.644 5.717 ( 2.275 -3.375 -0.164) 4.074 5.876 ( 0.693 2.435 -1.396) 2.891 5.907 ( 0.467 -0.961 -2.249) 2.490 6.575 ( -2.026 1.490 0.977) 2.698 6.615 ( -2.385 -2.547 -1.350) 3.742 7.025 ( -0.085 3.038 0.914) 3.174 7.047 ( -1.014 1.148 -1.012) 1.836 7.271 ( -1.088 -0.441 -1.132) 1.631 7.290 ( 0.585 -2.181 1.170) 2.543 7.544 ( 0.084 1.025 1.096) 1.503 7.578 ( 0.483 -2.407 1.021) 2.658 7.974 ( 0.118 1.109 -0.121) 1.122 7.994 ( 1.256 -1.026 0.517) 1.702 11.022 ( 0.579 0.565 -0.351) 0.882 11.035 ( 0.612 -0.696 -0.818) 1.237 12.695 ( 0.819 0.335 0.022) 0.885 12.715 ( 1.302 -1.655 -0.144) 2.111 16.039 ( -1.533 0.221 0.511) 1.631 16.049 ( -1.597 -0.804 -0.204) 1.800 16.446 ( -0.067 1.272 0.992) 1.614 16.464 ( 0.102 -0.533 0.844) 1.004 16.752 ( -2.238 1.966 0.198) 2.985 16.799 ( -1.751 -2.689 -1.247) 3.443 17.027 ( -0.961 3.219 1.959) 3.889 17.067 ( -0.416 -0.972 0.924) 1.404 17.373 ( -1.413 3.236 -1.851) 3.987 17.396 ( -0.385 0.922 -1.606) 1.891 ======================= Grid point 97 (55/92) ======================= q-point: (-0.22 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( -2.556 4.838 -3.170) 6.323 0.955 ( -0.950 0.527 -1.823) 2.122 1.003 ( -2.501 2.530 0.850) 3.657 1.117 ( 1.155 -6.149 0.660) 6.292 1.199 ( 3.449 3.227 1.422) 4.933 1.259 ( 2.366 -1.943 0.763) 3.155 1.480 ( 1.496 1.630 -2.434) 3.289 1.503 ( 2.681 1.138 -3.522) 4.571 1.550 ( -0.923 3.199 1.159) 3.525 1.643 ( -0.684 -3.959 -0.739) 4.085 1.810 ( -4.833 8.144 2.349) 9.757 1.942 ( 0.405 -5.266 2.203) 5.723 2.506 ( -0.666 7.933 -1.099) 8.036 2.627 ( -4.427 8.418 5.091) 10.788 2.675 ( -1.898 -1.470 -7.072) 7.468 2.872 ( -4.950 -7.457 2.307) 9.243 3.025 ( -6.200 0.913 0.795) 6.317 3.108 ( -6.233 -7.278 -1.073) 9.642 3.345 ( 2.118 3.794 -0.513) 4.376 3.403 ( 1.360 -2.256 0.697) 2.725 3.564 ( -0.049 2.983 2.526) 3.909 3.655 ( -1.998 -6.101 0.962) 6.492 3.808 ( 5.045 1.728 -0.872) 5.404 3.852 ( 7.553 -2.600 -0.502) 8.004 4.018 ( -0.963 1.580 -1.124) 2.165 4.057 ( -1.000 -2.230 0.394) 2.476 4.653 ( 2.241 2.177 2.963) 4.306 4.683 ( 2.059 -0.978 0.917) 2.456 5.057 ( 0.389 4.162 -1.225) 4.356 5.132 ( -0.135 -3.216 -1.409) 3.513 5.418 ( -0.536 1.282 0.919) 1.666 5.463 ( -0.913 -2.976 -1.193) 3.334 5.731 ( 3.506 1.372 0.273) 3.775 5.796 ( 4.548 -4.718 1.616) 6.749 5.870 ( 1.773 1.867 -2.418) 3.533 5.892 ( 0.529 -0.153 -0.944) 1.093 6.516 ( -5.490 0.370 -0.561) 5.531 6.537 ( -5.347 -1.452 -0.729) 5.589 7.006 ( 0.127 1.575 -2.110) 2.636 7.021 ( -0.153 0.468 -1.271) 1.363 7.255 ( -0.868 2.539 1.013) 2.869 7.322 ( -0.712 -3.908 2.232) 4.557 7.567 ( 1.576 2.105 0.640) 2.707 7.612 ( 1.975 -2.421 1.372) 3.413 7.967 ( -0.389 3.023 -0.442) 3.080 8.028 ( 0.964 -3.015 1.136) 3.363 11.027 ( 0.455 0.404 -0.262) 0.663 11.037 ( 0.537 -0.609 -0.450) 0.928 12.709 ( 0.950 0.455 -0.232) 1.079 12.731 ( 1.045 -1.749 -0.592) 2.122 16.012 ( -1.857 -0.060 -0.122) 1.862 16.018 ( -1.853 -0.693 0.178) 1.986 16.459 ( 0.211 1.385 1.025) 1.736 16.477 ( 0.248 -0.408 0.879) 1.001 16.707 ( -2.974 1.917 -0.168) 3.542 16.753 ( -2.247 -2.626 -0.958) 3.587 17.022 ( -1.341 2.953 0.526) 3.286 17.061 ( -0.677 -1.068 -0.255) 1.290 17.335 ( -1.095 4.829 -0.488) 4.976 17.394 ( 0.627 -1.192 0.557) 1.458 ======================= Grid point 98 (56/92) ======================= q-point: (-0.11 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.826 ( -0.843 7.231 -1.245) 7.385 0.920 ( -0.570 0.045 -1.177) 1.308 0.989 ( -1.485 5.107 2.839) 6.029 1.143 ( 0.217 -7.757 1.563) 7.916 1.273 ( 2.504 2.436 0.405) 3.517 1.301 ( 0.840 0.644 -0.198) 1.077 1.439 ( -0.264 4.532 -2.952) 5.415 1.497 ( 1.079 -0.222 -3.863) 4.017 1.545 ( 0.690 2.326 0.375) 2.455 1.613 ( -0.707 -3.791 -0.712) 3.922 1.786 ( -2.970 8.887 4.022) 10.197 1.957 ( -0.743 -7.784 0.948) 7.877 2.464 ( -2.612 12.883 -0.955) 13.179 2.547 ( -1.809 9.101 -2.601) 9.637 2.687 ( 0.166 -5.127 3.614) 6.275 2.808 ( -5.002 -8.428 -1.883) 9.980 2.974 ( -2.751 -0.741 4.686) 5.484 3.023 ( -2.229 -7.472 2.660) 8.239 3.343 ( 0.667 3.107 -3.911) 5.040 3.399 ( 0.006 -2.320 -2.533) 3.435 3.557 ( -1.533 0.991 0.530) 1.901 3.614 ( -1.891 -4.070 -0.836) 4.565 3.901 ( 4.302 3.682 0.822) 5.722 3.966 ( 1.221 -1.808 1.277) 2.528 4.009 ( 3.844 0.351 -0.820) 3.946 4.056 ( 0.562 -3.174 0.159) 3.228 4.697 ( 0.022 2.712 0.847) 2.842 4.730 ( 0.812 -0.799 2.657) 2.891 5.074 ( 2.992 2.776 -0.931) 4.186 5.132 ( 2.394 -2.793 -1.353) 3.920 5.392 ( -2.850 0.685 -0.410) 2.960 5.420 ( -2.302 -2.246 -1.368) 3.495 5.762 ( 0.851 2.280 -2.119) 3.227 5.832 ( -0.260 -3.925 -1.652) 4.266 5.912 ( 4.474 2.903 1.966) 5.684 5.965 ( 5.721 -3.113 2.107) 6.845 6.403 ( -5.672 0.953 -0.634) 5.786 6.430 ( -5.884 -1.434 -0.275) 6.063 7.005 ( 1.579 1.065 -0.552) 1.983 7.021 ( 1.577 -0.630 -0.840) 1.894 7.246 ( -1.741 2.970 0.892) 3.556 7.309 ( -2.337 -3.252 0.536) 4.041 7.605 ( 1.660 3.083 0.607) 3.553 7.662 ( 1.831 -2.756 0.710) 3.384 7.953 ( -0.688 4.395 -0.195) 4.453 8.040 ( -0.377 -4.392 -0.183) 4.412 11.034 ( 0.351 0.328 0.461) 0.666 11.043 ( 0.421 -0.550 0.204) 0.722 12.722 ( 0.840 0.158 -0.217) 0.881 12.738 ( 0.674 -1.474 -0.468) 1.687 15.983 ( -1.071 0.050 -0.200) 1.091 15.992 ( -1.394 -0.892 0.166) 1.663 16.475 ( 0.135 1.434 0.931) 1.715 16.492 ( 0.121 -0.225 0.846) 0.884 16.656 ( -2.215 2.124 -0.714) 3.150 16.703 ( -1.767 -2.631 -1.444) 3.483 17.003 ( -0.880 3.010 -0.087) 3.137 17.046 ( -0.233 -1.416 -0.659) 1.579 17.326 ( -0.469 5.906 1.093) 6.025 17.415 ( 0.461 -3.103 0.686) 3.211 ======================= Grid point 126 (57/92) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.814 ( 0.518 0.000 11.624) 11.635 0.814 ( -3.499 0.000 11.459) 11.981 1.082 ( -0.240 0.000 -3.009) 3.019 1.083 ( -2.331 0.000 -4.485) 5.054 1.150 ( 1.824 0.000 4.951) 5.276 1.258 ( 0.353 0.000 -4.226) 4.240 1.365 ( -8.434 0.000 5.782) 10.226 1.454 ( 5.747 0.000 -4.517) 7.309 1.548 ( 2.370 0.000 18.033) 18.188 1.693 ( 0.672 0.000 2.178) 2.279 1.698 ( 1.034 0.000 -1.101) 1.510 1.960 ( -1.633 0.000 -13.878) 13.973 2.366 ( -2.572 0.000 6.282) 6.789 2.411 ( 0.915 0.000 6.305) 6.371 2.660 ( 4.157 0.000 -4.677) 6.257 2.764 ( -0.370 0.000 -9.862) 9.869 2.937 ( 4.002 0.000 0.363) 4.018 3.036 ( -5.785 0.000 -7.404) 9.396 3.359 ( 3.389 0.000 1.386) 3.661 3.389 ( -2.789 0.000 -2.394) 3.676 3.662 ( -5.787 0.000 5.395) 7.912 3.763 ( 6.560 0.000 -3.604) 7.484 3.935 ( -12.835 0.000 -0.410) 12.841 3.938 ( 10.158 0.000 -0.770) 10.187 4.146 ( -3.609 0.000 1.580) 3.940 4.193 ( 3.429 0.000 -2.593) 4.299 4.537 ( 0.801 0.000 4.538) 4.608 4.645 ( -2.036 0.000 -4.989) 5.388 5.316 ( 3.386 0.000 3.737) 5.043 5.349 ( 0.917 0.000 1.076) 1.414 5.425 ( -3.767 0.000 -0.305) 3.779 5.445 ( -0.948 0.000 -2.051) 2.259 5.650 ( 2.620 0.000 0.472) 2.662 5.669 ( -1.803 0.000 -1.507) 2.350 6.121 ( 3.018 0.000 5.470) 6.247 6.226 ( -4.088 0.000 -3.998) 5.718 6.402 ( 2.236 0.000 1.360) 2.617 6.415 ( 0.847 0.000 0.331) 0.909 7.073 ( 3.188 0.000 0.606) 3.245 7.101 ( -5.847 0.000 -1.901) 6.148 7.266 ( -3.062 0.000 2.331) 3.848 7.296 ( 4.457 0.000 -0.349) 4.471 7.567 ( 2.753 0.000 3.048) 4.107 7.651 ( -3.297 0.000 -4.460) 5.546 7.913 ( 6.058 0.000 0.541) 6.082 7.926 ( -3.599 0.000 -0.555) 3.642 11.070 ( -1.159 0.000 0.677) 1.343 11.075 ( 1.105 0.000 0.137) 1.113 12.772 ( -0.213 0.000 1.720) 1.733 12.816 ( 0.870 0.000 -2.251) 2.414 16.010 ( 2.373 0.000 0.518) 2.429 16.021 ( -2.340 0.000 -0.478) 2.389 16.412 ( 0.028 0.000 0.857) 0.858 16.434 ( -0.386 0.000 -1.129) 1.194 16.570 ( -4.491 0.000 0.206) 4.496 16.573 ( 2.603 0.000 -0.032) 2.603 16.892 ( -1.327 0.000 3.412) 3.661 16.971 ( 1.749 0.000 -3.770) 4.156 17.330 ( 0.591 0.000 1.909) 1.998 17.366 ( -1.385 0.000 -1.343) 1.929 ======================= Grid point 127 (58/92) ======================= q-point: ( 0.11 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.839 ( -3.150 0.000 -3.942) 5.046 0.907 ( 0.189 0.000 5.960) 5.963 1.010 ( -2.328 0.000 3.865) 4.512 1.075 ( 1.209 0.000 0.215) 1.228 1.207 ( 0.649 0.000 -4.581) 4.626 1.216 ( 0.518 0.000 2.218) 2.277 1.312 ( -3.119 0.000 4.295) 5.308 1.516 ( 3.679 0.000 -2.038) 4.206 1.652 ( -1.906 0.000 2.533) 3.170 1.689 ( -1.810 0.000 -1.209) 2.176 1.776 ( 4.926 0.000 -17.251) 17.940 1.872 ( 4.139 0.000 13.169) 13.804 2.399 ( -0.755 0.000 3.306) 3.392 2.470 ( 2.498 0.000 -0.786) 2.619 2.573 ( -8.145 0.000 -10.250) 13.092 2.683 ( 1.033 0.000 4.185) 4.311 2.946 ( 2.994 0.000 -2.967) 4.215 3.080 ( 6.382 0.000 6.925) 9.417 3.370 ( 2.160 0.000 0.023) 2.160 3.466 ( 7.677 0.000 -0.628) 7.703 3.594 ( -9.932 0.000 4.097) 10.744 3.757 ( -7.041 0.000 1.125) 7.130 3.829 ( 7.106 0.000 -5.160) 8.782 4.052 ( -9.769 0.000 2.773) 10.155 4.083 ( 5.223 0.000 1.419) 5.413 4.172 ( -2.293 0.000 -2.131) 3.130 4.551 ( -2.620 0.000 -3.702) 4.535 4.608 ( 0.437 0.000 5.433) 5.451 5.296 ( -3.302 0.000 -4.473) 5.560 5.331 ( -3.517 0.000 -2.224) 4.161 5.417 ( 0.236 0.000 5.137) 5.142 5.461 ( 1.499 0.000 2.543) 2.952 5.616 ( -2.330 0.000 -1.962) 3.046 5.694 ( 2.143 0.000 0.281) 2.161 6.102 ( -4.291 0.000 -3.895) 5.795 6.210 ( 0.205 0.000 3.968) 3.973 6.420 ( 0.986 0.000 -2.128) 2.345 6.468 ( 5.375 0.000 -1.049) 5.476 7.023 ( -2.590 0.000 0.620) 2.663 7.160 ( 2.724 0.000 3.250) 4.240 7.237 ( -0.607 0.000 0.141) 0.624 7.318 ( -1.022 0.000 -3.027) 3.195 7.547 ( -1.380 0.000 -3.077) 3.372 7.633 ( -0.031 0.000 4.375) 4.376 7.862 ( -1.951 0.000 -1.694) 2.584 8.000 ( 4.169 0.000 -0.909) 4.267 11.053 ( -1.379 0.000 0.320) 1.416 11.092 ( 0.859 0.000 -0.294) 0.908 12.782 ( -0.879 0.000 1.520) 1.756 12.793 ( -0.243 0.000 -2.310) 2.323 15.984 ( -1.185 0.000 -0.455) 1.269 16.065 ( 3.092 0.000 0.411) 3.119 16.421 ( 0.198 0.000 -0.668) 0.697 16.423 ( -0.485 0.000 1.117) 1.217 16.542 ( 0.112 0.000 1.104) 1.109 16.639 ( 4.006 0.000 1.308) 4.214 16.913 ( -0.786 0.000 3.181) 3.276 16.961 ( 2.279 0.000 -3.743) 4.382 17.327 ( -1.431 0.000 -0.932) 1.708 17.355 ( -0.525 0.000 1.765) 1.841 ======================= Grid point 128 (59/92) ======================= q-point: ( 0.22 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.650 ( -1.977 0.000 -13.108) 13.257 0.975 ( 4.936 0.000 -2.135) 5.378 1.075 ( 0.711 0.000 6.217) 6.258 1.106 ( 1.173 0.000 0.423) 1.247 1.202 ( 2.895 0.000 -1.290) 3.169 1.223 ( -1.821 0.000 2.035) 2.730 1.358 ( -0.522 0.000 7.659) 7.677 1.468 ( -2.699 0.000 -6.740) 7.260 1.629 ( -1.595 0.000 -2.114) 2.648 1.636 ( -2.452 0.000 1.572) 2.913 1.759 ( 8.786 0.000 -10.830) 13.945 2.002 ( -1.615 0.000 5.520) 5.752 2.285 ( -1.179 0.000 -11.349) 11.410 2.492 ( 4.201 0.000 -4.251) 5.977 2.495 ( -0.988 0.000 6.980) 7.050 2.777 ( 0.887 0.000 7.496) 7.548 2.995 ( 3.967 0.000 -1.436) 4.219 3.274 ( 5.562 0.000 5.399) 7.751 3.440 ( 4.182 0.000 0.946) 4.288 3.440 ( -11.183 0.000 7.326) 13.369 3.601 ( 4.924 0.000 1.883) 5.272 3.705 ( -0.843 0.000 -0.378) 0.924 3.876 ( 6.415 0.000 -6.619) 9.218 3.914 ( -10.546 0.000 4.469) 11.454 4.037 ( -7.754 0.000 -1.655) 7.928 4.170 ( 0.469 0.000 1.338) 1.418 4.479 ( -2.186 0.000 -1.829) 2.850 4.664 ( -0.574 0.000 4.023) 4.064 5.181 ( -2.226 0.000 -6.116) 6.509 5.233 ( -4.292 0.000 -2.519) 4.976 5.472 ( -1.204 0.000 5.511) 5.641 5.526 ( 1.760 0.000 0.260) 1.779 5.542 ( -3.620 0.000 1.512) 3.923 5.726 ( 1.724 0.000 -0.347) 1.758 6.007 ( -1.599 0.000 -3.804) 4.126 6.202 ( -2.160 0.000 -1.992) 2.938 6.422 ( 0.870 0.000 0.579) 1.045 6.567 ( 6.557 0.000 0.381) 6.568 6.998 ( -2.640 0.000 0.578) 2.702 7.141 ( -3.695 0.000 -1.690) 4.063 7.220 ( -2.625 0.000 -3.394) 4.291 7.319 ( 5.160 0.000 2.470) 5.720 7.560 ( 3.625 0.000 -0.576) 3.671 7.666 ( -1.877 0.000 3.990) 4.409 7.834 ( 0.464 0.000 -0.578) 0.741 8.035 ( 1.694 0.000 -1.353) 2.168 11.032 ( -1.484 0.000 0.190) 1.496 11.094 ( 0.318 0.000 -1.119) 1.164 12.763 ( -0.480 0.000 -1.532) 1.605 12.777 ( -1.264 0.000 0.859) 1.528 15.976 ( 0.223 0.000 0.526) 0.571 16.114 ( 2.456 0.000 -0.317) 2.476 16.419 ( -0.983 0.000 0.744) 1.232 16.423 ( 0.598 0.000 -0.469) 0.760 16.589 ( 2.751 0.000 2.156) 3.495 16.726 ( 2.780 0.000 3.168) 4.215 16.934 ( -0.614 0.000 2.400) 2.477 16.968 ( 3.242 0.000 -2.730) 4.238 17.296 ( -0.872 0.000 -1.079) 1.387 17.337 ( -2.550 0.000 -0.960) 2.724 ======================= Grid point 129 (60/92) ======================= q-point: ( 0.33 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.647 ( 9.998 0.000 1.755) 10.151 1.020 ( 4.314 0.000 -3.458) 5.529 1.099 ( 0.767 0.000 -4.573) 4.637 1.135 ( -1.331 0.000 1.652) 2.121 1.216 ( -1.600 0.000 1.966) 2.535 1.261 ( 4.423 0.000 1.419) 4.645 1.325 ( -3.023 0.000 -6.013) 6.730 1.443 ( -1.925 0.000 8.718) 8.928 1.575 ( -1.330 0.000 -1.788) 2.228 1.619 ( -0.708 0.000 1.305) 1.485 1.792 ( 7.461 0.000 -7.668) 10.699 1.961 ( -6.651 0.000 0.474) 6.668 2.283 ( 8.761 0.000 -0.951) 8.812 2.519 ( 3.901 0.000 -3.009) 4.926 2.564 ( 0.467 0.000 4.587) 4.611 2.864 ( 0.115 0.000 5.827) 5.828 3.032 ( 3.438 0.000 -2.251) 4.109 3.247 ( -6.217 0.000 -1.338) 6.359 3.483 ( -4.393 0.000 11.442) 12.256 3.489 ( 1.407 0.000 -1.590) 2.123 3.639 ( -3.872 0.000 4.929) 6.269 3.732 ( 5.507 0.000 -2.867) 6.208 3.842 ( -4.524 0.000 5.873) 7.414 3.868 ( -6.868 0.000 -2.311) 7.246 3.900 ( 3.718 0.000 -6.612) 7.586 4.163 ( -1.816 0.000 -0.125) 1.821 4.440 ( -0.742 0.000 0.083) 0.747 4.675 ( -1.964 0.000 1.447) 2.439 5.101 ( 1.186 0.000 -6.173) 6.286 5.139 ( -3.188 0.000 -2.458) 4.026 5.458 ( -0.897 0.000 -3.039) 3.169 5.497 ( -3.738 0.000 5.603) 6.735 5.618 ( 0.216 0.000 7.684) 7.687 5.750 ( 2.003 0.000 -0.640) 2.103 5.954 ( 0.160 0.000 -3.882) 3.885 6.117 ( -1.543 0.000 -6.203) 6.392 6.463 ( 0.514 0.000 4.291) 4.322 6.682 ( 5.342 0.000 1.522) 5.554 6.944 ( -2.351 0.000 -0.730) 2.462 7.036 ( -3.916 0.000 -4.919) 6.288 7.201 ( 1.644 0.000 0.057) 1.645 7.404 ( 1.843 0.000 0.977) 2.086 7.617 ( 3.021 0.000 0.122) 3.023 7.664 ( -2.633 0.000 2.751) 3.808 7.861 ( 1.265 0.000 2.021) 2.384 8.034 ( 0.541 0.000 -1.745) 1.827 11.010 ( -1.276 0.000 0.229) 1.297 11.078 ( -0.129 0.000 -1.927) 1.931 12.746 ( 0.004 0.000 -0.669) 0.669 12.764 ( -1.179 0.000 0.537) 1.295 16.002 ( 0.983 0.000 1.860) 2.104 16.137 ( 1.311 0.000 -1.082) 1.700 16.412 ( -0.625 0.000 0.484) 0.790 16.426 ( 0.519 0.000 -0.626) 0.813 16.673 ( 3.036 0.000 3.607) 4.715 16.791 ( 0.577 0.000 3.173) 3.225 16.942 ( -1.126 0.000 1.219) 1.659 17.010 ( 3.380 0.000 -0.118) 3.382 17.252 ( -2.614 0.000 -5.374) 5.976 17.269 ( -0.672 0.000 -1.642) 1.774 ======================= Grid point 130 (61/92) ======================= q-point: ( 0.44 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.868 ( 6.940 0.000 5.270) 8.714 1.005 ( -5.135 0.000 0.745) 5.189 1.082 ( 6.425 0.000 -6.345) 9.029 1.093 ( -2.753 0.000 2.367) 3.631 1.199 ( -4.207 0.000 -5.765) 7.136 1.215 ( 0.997 0.000 -1.576) 1.865 1.417 ( 7.030 0.000 6.170) 9.354 1.463 ( -5.986 0.000 7.341) 9.472 1.572 ( 3.161 0.000 -2.246) 3.877 1.647 ( 1.542 0.000 -0.409) 1.595 1.812 ( 3.784 0.000 -5.116) 6.363 1.822 ( -8.071 0.000 -1.017) 8.135 2.482 ( 6.070 0.000 5.268) 8.037 2.547 ( 1.536 0.000 -0.533) 1.626 2.637 ( 6.260 0.000 3.823) 7.335 2.899 ( -1.796 0.000 0.531) 1.873 3.080 ( 5.581 0.000 -1.733) 5.844 3.119 ( -9.709 0.000 2.621) 10.057 3.456 ( -5.528 0.000 2.113) 5.917 3.456 ( -1.129 0.000 -3.451) 3.631 3.634 ( -1.464 0.000 3.023) 3.359 3.736 ( -4.302 0.000 -2.019) 4.752 3.777 ( -1.131 0.000 0.384) 1.195 3.891 ( 1.943 0.000 7.462) 7.710 3.898 ( 4.717 0.000 -7.139) 8.557 4.115 ( -1.738 0.000 -2.782) 3.280 4.471 ( 2.113 0.000 3.222) 3.853 4.631 ( -3.258 0.000 -1.262) 3.494 5.068 ( 1.819 0.000 -4.281) 4.651 5.073 ( -1.626 0.000 -2.010) 2.585 5.457 ( 3.803 0.000 -1.543) 4.104 5.471 ( -5.401 0.000 3.768) 6.585 5.710 ( -1.077 0.000 8.968) 9.032 5.784 ( 1.802 0.000 0.766) 1.958 5.914 ( 0.461 0.000 -3.946) 3.973 6.021 ( 0.007 0.000 -8.074) 8.074 6.539 ( 1.055 0.000 6.636) 6.720 6.760 ( 2.480 0.000 -1.182) 2.748 6.916 ( -2.903 0.000 -3.929) 4.885 6.918 ( -0.318 0.000 -0.454) 0.554 7.249 ( 2.446 0.000 1.926) 3.113 7.392 ( -2.135 0.000 -2.323) 3.155 7.652 ( -2.305 0.000 2.472) 3.380 7.661 ( 2.283 0.000 -0.196) 2.291 7.909 ( 0.437 0.000 3.421) 3.449 8.017 ( 0.370 0.000 -2.416) 2.444 10.999 ( -0.547 0.000 0.708) 0.895 11.050 ( -0.163 0.000 -2.232) 2.238 12.748 ( 0.778 0.000 -0.281) 0.827 12.751 ( -0.963 0.000 0.437) 1.057 16.045 ( 0.759 0.000 2.722) 2.826 16.134 ( 0.216 0.000 -1.799) 1.812 16.410 ( -0.402 0.000 0.495) 0.638 16.425 ( 0.322 0.000 -0.742) 0.808 16.771 ( 2.681 0.000 4.917) 5.600 16.822 ( -0.751 0.000 2.442) 2.555 16.925 ( -2.133 0.000 0.832) 2.290 17.049 ( 0.555 0.000 -1.397) 1.503 17.164 ( 0.953 0.000 -4.498) 4.598 17.232 ( -0.915 0.000 -2.558) 2.716 ======================= Grid point 131 (62/92) ======================= q-point: (-0.44 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.917 ( -5.406 0.000 0.410) 5.421 0.941 ( -5.316 0.000 3.929) 6.610 1.080 ( 0.764 0.000 -2.647) 2.755 1.133 ( 2.869 0.000 -1.757) 3.365 1.140 ( 0.962 0.000 3.440) 3.572 1.206 ( 3.295 0.000 -4.779) 5.805 1.429 ( -7.799 0.000 5.889) 9.773 1.588 ( 3.096 0.000 4.875) 5.775 1.592 ( -2.538 0.000 -4.977) 5.587 1.602 ( 5.302 0.000 -4.428) 6.908 1.724 ( -5.604 0.000 2.669) 6.207 1.832 ( 5.214 0.000 -2.342) 5.716 2.506 ( -4.837 0.000 2.743) 5.561 2.542 ( -3.977 0.000 0.795) 4.056 2.744 ( -10.606 0.000 -6.300) 12.336 2.869 ( 9.278 0.000 3.823) 10.035 3.026 ( -4.661 0.000 3.065) 5.578 3.199 ( 9.731 0.000 -1.303) 9.818 3.407 ( -1.596 0.000 1.886) 2.471 3.420 ( 0.289 0.000 0.352) 0.455 3.682 ( 3.276 0.000 3.136) 4.535 3.687 ( 2.200 0.000 -3.547) 4.173 3.742 ( -5.569 0.000 5.387) 7.749 3.890 ( 3.431 0.000 -6.750) 7.572 4.021 ( 3.412 0.000 5.641) 6.593 4.043 ( -0.606 0.000 -5.800) 5.832 4.544 ( -3.863 0.000 -2.910) 4.837 4.565 ( 2.893 0.000 4.566) 5.405 5.036 ( -0.657 0.000 -1.195) 1.363 5.066 ( 2.301 0.000 -1.780) 2.909 5.420 ( -4.064 0.000 2.029) 4.542 5.530 ( 6.122 0.000 -1.560) 6.317 5.761 ( -3.983 0.000 5.722) 6.972 5.821 ( 0.517 0.000 1.943) 2.010 5.901 ( 2.199 0.000 -0.086) 2.201 5.927 ( 0.052 0.000 -8.503) 8.503 6.645 ( 1.167 0.000 7.279) 7.372 6.704 ( -0.846 0.000 -8.018) 8.063 6.889 ( -0.550 0.000 1.929) 2.006 6.906 ( 0.001 0.000 -0.992) 0.992 7.306 ( -3.353 0.000 -3.188) 4.627 7.327 ( 3.075 0.000 3.224) 4.456 7.638 ( -2.507 0.000 1.902) 3.147 7.688 ( 1.517 0.000 -0.720) 1.680 7.952 ( 0.007 0.000 3.423) 3.423 7.989 ( 0.197 0.000 -3.494) 3.500 11.009 ( 0.192 0.000 1.402) 1.415 11.026 ( 0.290 0.000 -1.824) 1.847 12.741 ( -0.646 0.000 0.260) 0.696 12.762 ( 1.335 0.000 -0.495) 1.424 16.083 ( -0.097 0.000 2.743) 2.745 16.103 ( -0.871 0.000 -2.453) 2.603 16.410 ( -0.379 0.000 0.652) 0.754 16.422 ( 0.274 0.000 -0.634) 0.691 16.812 ( -3.176 0.000 0.906) 3.303 16.855 ( 1.256 0.000 0.374) 1.311 16.919 ( -1.276 0.000 7.327) 7.437 17.003 ( 1.146 0.000 -5.395) 5.516 17.175 ( -1.691 0.000 -3.627) 4.002 17.186 ( 2.127 0.000 0.998) 2.349 ======================= Grid point 132 (63/92) ======================= q-point: (-0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.791 ( -9.407 0.000 -6.515) 11.443 0.844 ( -11.935 0.000 8.444) 14.620 1.082 ( -3.417 0.000 1.348) 3.673 1.113 ( 4.964 0.000 -3.118) 5.862 1.203 ( 1.743 0.000 2.814) 3.310 1.242 ( 0.621 0.000 -0.640) 0.891 1.341 ( -4.346 0.000 -0.062) 4.347 1.542 ( 0.794 0.000 -0.265) 0.837 1.608 ( 1.532 0.000 -5.432) 5.644 1.639 ( -10.424 0.000 5.757) 11.908 1.640 ( 1.775 0.000 -0.089) 1.777 1.953 ( 8.673 0.000 0.495) 8.688 2.316 ( -16.091 0.000 -2.933) 16.356 2.440 ( -6.558 0.000 3.468) 7.419 2.632 ( 1.035 0.000 -1.929) 2.189 2.977 ( 3.718 0.000 -2.702) 4.596 3.002 ( -1.191 0.000 0.674) 1.368 3.262 ( 2.545 0.000 -3.531) 4.352 3.447 ( 0.576 0.000 1.268) 1.393 3.516 ( 2.998 0.000 9.286) 9.758 3.713 ( 6.281 0.000 -5.394) 8.280 3.723 ( -6.137 0.000 8.185) 10.230 3.815 ( 7.398 0.000 3.484) 8.177 3.833 ( 0.177 0.000 -8.811) 8.813 3.991 ( 3.837 0.000 -6.995) 7.979 4.129 ( 3.156 0.000 3.525) 4.731 4.459 ( -2.195 0.000 -1.643) 2.742 4.656 ( 2.110 0.000 3.483) 4.072 5.023 ( 0.049 0.000 0.238) 0.243 5.106 ( 3.457 0.000 0.198) 3.462 5.401 ( -0.634 0.000 2.099) 2.192 5.599 ( 4.261 0.000 -3.219) 5.340 5.724 ( -3.943 0.000 2.098) 4.466 5.792 ( -1.840 0.000 -6.994) 7.232 5.877 ( 0.439 0.000 1.605) 1.664 5.988 ( 4.173 0.000 4.538) 6.165 6.599 ( -0.482 0.000 -7.977) 7.992 6.685 ( -4.148 0.000 2.052) 4.628 6.907 ( -0.126 0.000 2.731) 2.734 6.940 ( 3.896 0.000 2.894) 4.853 7.224 ( -2.764 0.000 -1.903) 3.356 7.399 ( 1.038 0.000 1.496) 1.821 7.610 ( -2.810 0.000 1.025) 2.991 7.702 ( 1.530 0.000 -0.706) 1.685 7.937 ( -0.920 0.000 -4.683) 4.773 7.986 ( -0.246 0.000 2.667) 2.678 11.021 ( 0.946 0.000 -0.922) 1.321 11.034 ( 0.427 0.000 1.842) 1.890 12.737 ( -0.232 0.000 0.239) 0.333 12.778 ( 1.370 0.000 -0.833) 1.603 16.052 ( -1.595 0.000 -2.543) 3.001 16.102 ( -1.097 0.000 2.173) 2.434 16.411 ( -0.433 0.000 0.731) 0.849 16.422 ( 0.567 0.000 -0.439) 0.718 16.737 ( -4.602 0.000 -1.673) 4.897 16.840 ( -0.782 0.000 -1.027) 1.291 16.987 ( 2.385 0.000 -3.290) 4.064 17.032 ( 1.596 0.000 4.882) 5.136 17.101 ( -2.339 0.000 1.163) 2.613 17.231 ( 1.332 0.000 1.552) 2.046 ======================= Grid point 133 (64/92) ======================= q-point: (-0.22 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.467 ( -13.803 0.000 -2.423) 14.014 0.768 ( -11.426 0.000 12.899) 17.232 1.104 ( -3.835 0.000 6.878) 7.875 1.147 ( 2.935 0.000 -2.758) 4.028 1.201 ( -2.818 0.000 -0.759) 2.919 1.254 ( 2.040 0.000 0.147) 2.045 1.302 ( -2.842 0.000 5.075) 5.816 1.515 ( -10.917 0.000 6.900) 12.915 1.540 ( -0.220 0.000 -6.835) 6.838 1.609 ( 3.899 0.000 2.522) 4.644 1.671 ( 2.629 0.000 -1.568) 3.061 2.077 ( 5.977 0.000 -1.897) 6.271 2.115 ( -6.663 0.000 4.904) 8.273 2.379 ( -5.992 0.000 4.640) 7.579 2.631 ( 2.770 0.000 -4.959) 5.681 2.954 ( 0.946 0.000 -7.015) 7.079 2.995 ( 0.069 0.000 -0.782) 0.785 3.274 ( -0.397 0.000 1.429) 1.483 3.437 ( -3.832 0.000 0.874) 3.931 3.590 ( -2.825 0.000 1.947) 3.431 3.713 ( -6.412 0.000 8.076) 10.312 3.724 ( 1.600 0.000 -10.390) 10.513 3.753 ( 6.231 0.000 -6.315) 8.872 3.987 ( 7.791 0.000 2.970) 8.338 4.019 ( 8.295 0.000 -5.343) 9.867 4.198 ( 1.883 0.000 -0.350) 1.915 4.446 ( 0.538 0.000 1.141) 1.261 4.712 ( 1.676 0.000 0.584) 1.775 5.067 ( 3.392 0.000 3.439) 4.830 5.183 ( 4.278 0.000 1.659) 4.589 5.444 ( 1.286 0.000 3.574) 3.799 5.575 ( -1.563 0.000 -3.393) 3.736 5.671 ( -2.396 0.000 -6.347) 6.784 5.714 ( -0.017 0.000 0.669) 0.669 5.923 ( 1.389 0.000 3.302) 3.582 6.127 ( 5.849 0.000 4.117) 7.153 6.495 ( -2.351 0.000 -6.446) 6.862 6.585 ( -7.263 0.000 -0.860) 7.314 6.972 ( 3.565 0.000 3.780) 5.196 7.071 ( 5.515 0.000 4.108) 6.877 7.174 ( -1.380 0.000 0.309) 1.414 7.371 ( -3.898 0.000 -1.949) 4.358 7.565 ( -3.189 0.000 -0.391) 3.213 7.726 ( 2.200 0.000 -1.291) 2.551 7.854 ( -2.723 0.000 -3.268) 4.253 8.000 ( -1.269 0.000 1.810) 2.210 11.035 ( 1.311 0.000 -0.171) 1.322 11.060 ( 0.066 0.000 1.779) 1.781 12.740 ( 0.113 0.000 0.611) 0.622 12.791 ( 1.281 0.000 -0.528) 1.386 16.001 ( -1.147 0.000 -1.681) 2.035 16.096 ( -2.014 0.000 1.324) 2.410 16.411 ( -0.516 0.000 0.608) 0.798 16.432 ( 1.136 0.000 -0.409) 1.207 16.639 ( -4.052 0.000 -2.088) 4.558 16.809 ( -1.135 0.000 -2.955) 3.165 16.950 ( -5.128 0.000 -3.119) 6.002 16.991 ( 1.986 0.000 -2.894) 3.510 17.244 ( 4.965 0.000 8.819) 10.120 17.267 ( 0.891 0.000 1.489) 1.735 ======================= Grid point 134 (65/92) ======================= q-point: (-0.11 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.563 ( 6.987 0.000 18.398) 19.680 0.760 ( -8.079 0.000 14.121) 16.268 1.089 ( -4.132 0.000 6.551) 7.745 1.140 ( -1.883 0.000 -2.951) 3.501 1.144 ( 0.699 0.000 -3.483) 3.553 1.274 ( 1.590 0.000 -1.842) 2.433 1.329 ( -8.944 0.000 18.503) 20.551 1.465 ( 1.793 0.000 -7.612) 7.820 1.475 ( -3.344 0.000 2.508) 4.180 1.676 ( 1.046 0.000 0.747) 1.285 1.690 ( 1.710 0.000 -1.468) 2.254 2.089 ( 1.280 0.000 -7.079) 7.193 2.240 ( 7.255 0.000 10.781) 12.995 2.351 ( -4.279 0.000 5.814) 7.219 2.622 ( 5.702 0.000 -7.059) 9.074 2.869 ( 0.156 0.000 -8.690) 8.691 2.962 ( -1.414 0.000 -3.602) 3.870 3.216 ( -5.917 0.000 -3.511) 6.880 3.356 ( -5.309 0.000 1.690) 5.572 3.499 ( -5.000 0.000 -3.724) 6.235 3.691 ( -6.394 0.000 7.077) 9.537 3.699 ( 6.440 0.000 -5.452) 8.438 3.804 ( 7.828 0.000 -3.861) 8.729 4.113 ( 1.407 0.000 0.264) 1.431 4.122 ( 8.456 0.000 -3.276) 9.069 4.147 ( -4.212 0.000 -1.639) 4.520 4.482 ( 0.926 0.000 2.595) 2.755 4.714 ( 0.422 0.000 -3.790) 3.814 5.199 ( 5.277 0.000 4.081) 6.671 5.278 ( 3.858 0.000 2.394) 4.541 5.479 ( -2.278 0.000 1.430) 2.690 5.505 ( -2.254 0.000 -2.623) 3.459 5.608 ( 1.678 0.000 -1.629) 2.338 5.708 ( -0.737 0.000 -1.050) 1.282 6.006 ( 3.220 0.000 4.444) 5.488 6.252 ( 4.751 0.000 0.176) 4.754 6.395 ( -3.040 0.000 -0.492) 3.079 6.452 ( -6.851 0.000 0.150) 6.852 7.042 ( 1.824 0.000 -1.023) 2.091 7.199 ( 5.262 0.000 1.643) 5.512 7.235 ( 3.264 0.000 4.616) 5.654 7.246 ( -6.596 0.000 -2.731) 7.139 7.511 ( -0.883 0.000 0.272) 0.924 7.724 ( 0.300 0.000 -3.476) 3.489 7.824 ( 1.256 0.000 1.753) 2.157 7.981 ( -2.940 0.000 0.923) 3.082 11.055 ( 1.135 0.000 0.068) 1.137 11.074 ( -0.609 0.000 1.281) 1.418 12.754 ( 0.168 0.000 1.259) 1.270 12.811 ( 1.767 0.000 -0.859) 1.964 15.983 ( 0.531 0.000 -0.352) 0.637 16.066 ( -2.581 0.000 0.319) 2.601 16.409 ( -0.458 0.000 0.520) 0.693 16.445 ( 0.868 0.000 -0.832) 1.202 16.568 ( -1.501 0.000 -1.221) 1.935 16.691 ( -6.490 0.000 -4.122) 7.689 16.885 ( -2.707 0.000 2.960) 4.011 16.985 ( 1.648 0.000 -3.395) 3.774 17.298 ( 0.779 0.000 1.579) 1.761 17.373 ( 2.567 0.000 0.613) 2.639 ======================= Grid point 135 (66/92) ======================= q-point: ( 0.00 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.788 ( -5.021 0.180 12.209) 13.202 0.868 ( 3.108 3.337 10.428) 11.381 1.033 ( 1.361 -2.901 -3.296) 4.597 1.109 ( -1.367 1.754 -1.487) 2.675 1.171 ( 0.415 1.187 1.076) 1.655 1.267 ( 0.487 0.987 -3.537) 3.704 1.370 ( -6.648 0.226 2.041) 6.957 1.433 ( 4.549 -1.260 -2.673) 5.424 1.577 ( 0.005 1.079 10.788) 10.841 1.695 ( 2.577 -0.670 -2.030) 3.348 1.738 ( 0.009 4.816 6.276) 7.911 1.972 ( -1.667 1.041 -11.179) 11.350 2.341 ( -0.760 -1.488 8.991) 9.145 2.430 ( 0.429 1.983 4.977) 5.374 2.681 ( 0.217 1.619 -5.042) 5.300 2.763 ( 1.701 0.237 -8.156) 8.335 2.979 ( 2.511 3.159 0.228) 4.042 3.059 ( -4.370 1.915 -5.985) 7.654 3.355 ( 4.742 -1.122 0.173) 4.876 3.371 ( -3.454 -0.605 -0.881) 3.615 3.621 ( -5.253 -4.103 3.512) 7.534 3.703 ( 4.970 -5.860 -3.581) 8.477 3.918 ( -1.070 -0.957 0.425) 1.497 3.925 ( -1.139 -0.515 -0.459) 1.332 4.151 ( -1.137 -0.060 1.218) 1.667 4.183 ( 1.671 -1.374 -1.559) 2.666 4.563 ( 0.618 2.736 4.158) 5.016 4.667 ( -1.715 2.169 -4.808) 5.547 5.241 ( 1.855 -6.111 3.164) 7.127 5.282 ( 0.390 -5.865 -0.582) 5.907 5.370 ( -2.144 -2.220 1.506) 3.434 5.422 ( 0.580 -1.964 -3.118) 3.730 5.712 ( 0.725 3.727 1.434) 4.059 5.748 ( -0.771 4.359 -1.707) 4.744 6.090 ( 2.400 -2.296 5.420) 6.357 6.194 ( -3.128 -3.029 -3.885) 5.836 6.394 ( 2.880 -0.768 1.374) 3.282 6.409 ( -0.449 -0.583 0.092) 0.741 7.064 ( 2.751 -0.605 0.871) 2.948 7.082 ( -3.867 -1.391 -0.453) 4.134 7.238 ( -1.049 -1.934 2.558) 3.374 7.285 ( 1.437 -1.109 -1.570) 2.400 7.585 ( 1.912 1.567 3.123) 3.983 7.664 ( -2.678 0.765 -3.894) 4.787 7.912 ( 2.688 0.670 2.019) 3.427 7.962 ( -1.227 2.193 -2.915) 3.848 11.069 ( -0.947 -0.047 0.690) 1.173 11.075 ( 0.999 -0.033 0.137) 1.009 12.765 ( -0.264 -0.753 1.392) 1.605 12.803 ( 0.885 -1.375 -1.891) 2.500 16.002 ( 2.026 -0.749 0.401) 2.197 16.011 ( -2.027 -0.935 -0.445) 2.276 16.428 ( -0.304 1.480 0.909) 1.764 16.449 ( -0.062 1.416 -1.002) 1.736 16.579 ( -2.121 1.289 1.341) 2.821 16.613 ( 0.850 2.608 -1.898) 3.336 16.909 ( -1.419 1.792 3.173) 3.911 16.982 ( 1.713 1.112 -3.431) 3.992 17.316 ( 0.453 -0.483 3.582) 3.643 17.382 ( -1.057 1.059 -2.683) 3.072 ======================= Grid point 136 (67/92) ======================= q-point: ( 0.11 0.14 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( -2.094 1.874 1.851) 3.365 0.907 ( -1.107 0.395 1.941) 2.269 1.002 ( -0.935 -0.616 -5.061) 5.184 1.096 ( 1.802 1.451 2.924) 3.729 1.200 ( -0.754 0.531 -0.264) 0.959 1.230 ( 0.500 0.564 -1.409) 1.598 1.323 ( -2.098 0.844 4.404) 4.951 1.489 ( 3.042 -2.688 -2.019) 4.533 1.627 ( -2.061 -1.243 2.768) 3.668 1.710 ( 2.868 -0.727 -3.443) 4.539 1.803 ( 0.059 4.113 -8.263) 9.230 1.906 ( 3.349 2.707 8.151) 9.218 2.397 ( -1.061 -0.179 0.696) 1.281 2.458 ( 1.568 0.351 -3.053) 3.450 2.607 ( -3.736 2.612 1.629) 4.841 2.753 ( 2.851 5.721 -2.397) 6.827 2.973 ( 1.438 2.810 -2.204) 3.850 3.082 ( 4.808 0.224 5.934) 7.640 3.325 ( 0.535 -3.995 -0.225) 4.037 3.470 ( 6.654 -0.151 -1.042) 6.736 3.553 ( -7.576 -3.574 3.923) 9.250 3.724 ( -0.439 -4.410 -1.124) 4.572 3.824 ( 0.655 0.472 -1.795) 1.968 3.965 ( -4.212 -3.573 1.888) 5.837 4.128 ( -3.248 -1.219 -0.312) 3.484 4.172 ( 0.633 1.087 -0.328) 1.299 4.565 ( -2.975 1.698 -1.887) 3.911 4.641 ( 0.741 3.045 3.440) 4.654 5.197 ( -4.789 -7.791 -1.367) 9.246 5.269 ( -2.479 -4.561 -2.053) 5.582 5.382 ( 1.083 -1.842 2.905) 3.606 5.449 ( 3.372 -1.280 -0.312) 3.621 5.704 ( -1.673 5.842 -0.597) 6.106 5.754 ( 1.494 3.237 0.558) 3.609 6.064 ( -5.089 -3.194 -3.276) 6.843 6.163 ( -1.183 -4.152 2.947) 5.227 6.410 ( 1.840 -0.632 -1.511) 2.463 6.476 ( 5.742 0.291 -0.900) 5.819 7.019 ( -2.536 -0.233 0.334) 2.568 7.119 ( 0.183 -3.070 0.621) 3.137 7.232 ( 1.220 -0.259 0.270) 1.276 7.327 ( 2.427 -0.197 -0.462) 2.478 7.554 ( -3.676 1.077 -2.294) 4.465 7.645 ( -0.164 0.674 3.486) 3.554 7.878 ( -1.964 1.560 -1.715) 3.039 8.010 ( 3.801 0.734 0.130) 3.874 11.055 ( -1.322 0.135 0.230) 1.349 11.089 ( 0.685 -0.311 -0.347) 0.828 12.769 ( -1.000 -1.203 1.051) 1.885 12.784 ( -0.231 -0.971 -1.829) 2.084 15.980 ( -0.855 -0.315 -0.370) 0.984 16.049 ( 2.783 -1.394 0.378) 3.135 16.427 ( -0.625 0.844 0.584) 1.202 16.443 ( -0.276 1.621 -0.034) 1.644 16.563 ( 0.211 1.828 1.154) 2.173 16.671 ( 4.852 2.588 0.542) 5.526 16.924 ( -1.072 1.194 2.866) 3.285 16.973 ( 1.930 1.204 -3.289) 4.000 17.334 ( -0.968 0.656 -2.373) 2.645 17.356 ( -0.382 0.546 2.986) 3.059 ======================= Grid point 137 (68/92) ======================= q-point: ( 0.22 0.14 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.687 ( -1.804 3.761 -11.623) 12.349 0.975 ( 5.513 -0.082 -4.716) 7.255 1.012 ( 1.347 -2.542 5.454) 6.166 1.148 ( 0.130 1.491 2.136) 2.608 1.186 ( 2.338 -0.509 -0.504) 2.446 1.240 ( -1.253 0.990 2.280) 2.784 1.376 ( -0.993 1.416 7.052) 7.261 1.449 ( -2.283 -3.283 -5.241) 6.592 1.588 ( -3.436 0.124 -0.470) 3.470 1.705 ( 0.020 1.540 -2.261) 2.736 1.766 ( 6.210 2.266 -7.872) 10.280 2.009 ( -1.313 0.483 4.526) 4.738 2.300 ( 1.576 2.062 -9.108) 9.471 2.499 ( 3.531 1.453 -0.012) 3.818 2.582 ( -1.738 6.595 1.564) 6.998 2.811 ( 1.334 4.007 5.428) 6.877 3.015 ( 3.619 1.817 -0.836) 4.135 3.251 ( 5.243 -2.169 5.148) 7.661 3.350 ( -0.168 -6.809 0.940) 6.876 3.452 ( -5.748 -0.548 6.678) 8.828 3.586 ( 4.739 -1.874 0.662) 5.139 3.702 ( -1.231 -0.191 -0.549) 1.361 3.834 ( -2.056 -5.091 0.836) 5.554 3.891 ( -0.540 0.267 -1.582) 1.693 4.012 ( -8.175 -2.735 -1.437) 8.740 4.194 ( 0.236 1.308 0.372) 1.380 4.504 ( -1.753 2.760 -0.996) 3.418 4.685 ( -0.841 1.986 3.390) 4.018 5.112 ( -2.120 -6.215 -2.256) 6.943 5.174 ( -4.127 -3.764 -3.214) 6.444 5.435 ( -0.612 -1.545 4.241) 4.555 5.496 ( 2.506 -1.637 -0.597) 3.052 5.665 ( -2.622 8.244 0.587) 8.671 5.779 ( 1.133 2.592 -0.149) 2.833 5.959 ( -2.158 -3.798 -3.577) 5.646 6.134 ( -2.551 -6.170 -1.550) 6.854 6.433 ( 1.466 0.780 0.459) 1.723 6.575 ( 6.480 0.507 0.103) 6.501 6.988 ( -2.250 -0.617 -0.244) 2.346 7.076 ( -2.032 -4.146 -1.911) 4.997 7.253 ( -0.029 1.563 -2.503) 2.951 7.359 ( 1.682 3.169 2.769) 4.532 7.534 ( 2.601 -1.907 -0.293) 3.238 7.666 ( -1.913 -0.337 3.062) 3.626 7.849 ( 0.331 1.516 -0.826) 1.758 8.053 ( 1.176 1.307 0.090) 1.761 11.032 ( -1.470 0.054 0.045) 1.472 11.089 ( 0.231 -0.571 -1.087) 1.249 12.751 ( -0.736 -1.199 -1.039) 1.749 12.765 ( -1.162 -1.120 0.421) 1.668 15.978 ( 0.484 0.193 0.490) 0.716 16.095 ( 2.338 -1.699 -0.164) 2.895 16.423 ( -0.759 0.551 0.619) 1.123 16.437 ( -0.085 1.262 -0.099) 1.269 16.608 ( 2.590 1.784 1.929) 3.690 16.766 ( 3.849 3.277 2.355) 5.577 16.939 ( -0.505 0.354 2.098) 2.187 16.976 ( 2.389 0.864 -2.255) 3.397 17.291 ( -0.557 0.161 -3.215) 3.267 17.361 ( -1.827 2.238 0.942) 3.039 ======================= Grid point 138 (69/92) ======================= q-point: ( 0.33 0.14 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.682 ( 7.910 3.199 1.657) 8.692 1.012 ( 4.568 -0.553 -4.037) 6.121 1.063 ( 0.050 -1.372 0.519) 1.468 1.179 ( 1.345 -0.069 0.713) 1.524 1.205 ( -2.223 1.219 -1.190) 2.800 1.264 ( 3.073 0.312 2.011) 3.686 1.309 ( -4.181 -1.679 -3.240) 5.550 1.456 ( -0.323 -0.497 5.437) 5.469 1.534 ( -2.321 -0.374 0.643) 2.437 1.675 ( 0.123 3.157 -2.021) 3.750 1.780 ( 4.331 -0.746 -5.890) 7.349 1.973 ( -5.229 1.143 -0.166) 5.355 2.341 ( 9.907 5.618 -0.521) 11.401 2.543 ( 4.189 1.755 -3.822) 5.936 2.589 ( -1.534 2.720 4.059) 5.121 2.899 ( 1.118 3.857 5.865) 7.108 3.054 ( 3.215 1.827 -2.176) 4.291 3.231 ( -5.294 -1.636 -1.032) 5.636 3.427 ( 0.248 -4.843 5.259) 7.154 3.469 ( -2.783 -2.263 4.123) 5.464 3.638 ( -5.074 -0.750 2.654) 5.775 3.676 ( 3.996 -4.114 -0.360) 5.747 3.809 ( -3.949 -3.083 4.103) 6.476 3.858 ( -5.449 -1.611 -1.454) 5.865 3.909 ( 5.277 1.444 -5.481) 7.745 4.178 ( -1.716 0.871 -0.890) 2.120 4.487 ( -0.403 4.434 1.090) 4.583 4.682 ( -2.273 0.772 0.680) 2.495 5.068 ( 0.076 -2.914 -4.669) 5.504 5.094 ( -1.333 -3.293 -0.034) 3.553 5.446 ( -3.533 -1.673 3.880) 5.508 5.507 ( 1.060 0.962 -2.312) 2.720 5.656 ( -1.476 4.400 4.619) 6.548 5.794 ( 1.354 1.930 -0.538) 2.418 5.907 ( 0.136 -3.357 -3.301) 4.710 6.059 ( -1.464 -5.589 -5.080) 7.693 6.474 ( 0.744 0.953 3.507) 3.709 6.682 ( 5.068 -0.208 0.831) 5.140 6.935 ( -1.891 -0.559 -1.463) 2.456 7.025 ( -1.889 -0.915 -2.627) 3.363 7.225 ( 0.430 2.011 -0.887) 2.240 7.414 ( 0.925 0.915 1.184) 1.759 7.589 ( 3.057 -2.446 0.513) 3.949 7.654 ( -2.635 -1.132 2.006) 3.500 7.866 ( 1.274 0.826 1.068) 1.856 8.055 ( -0.459 1.449 -0.642) 1.650 11.010 ( -1.176 0.020 0.139) 1.184 11.073 ( -0.139 -0.525 -1.713) 1.798 12.734 ( -0.085 -1.170 -0.568) 1.303 12.751 ( -1.208 -1.259 0.529) 1.823 16.005 ( 1.122 0.349 1.612) 1.995 16.121 ( 1.321 -1.554 -0.814) 2.196 16.417 ( -0.673 0.587 0.628) 1.092 16.437 ( 0.275 0.980 -0.397) 1.092 16.683 ( 2.594 1.071 3.160) 4.227 16.837 ( 1.309 3.828 2.290) 4.648 16.948 ( -0.899 0.225 1.082) 1.425 17.009 ( 2.951 0.021 0.018) 2.951 17.234 ( -0.497 0.650 -4.966) 5.033 17.325 ( -1.661 3.897 -1.523) 4.502 ======================= Grid point 139 (70/92) ======================= q-point: ( 0.44 0.14 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.875 ( 6.623 0.353 5.956) 8.915 1.007 ( -3.234 -0.138 0.454) 3.268 1.055 ( 1.624 0.439 -1.860) 2.508 1.139 ( -0.932 -0.628 -3.354) 3.537 1.179 ( -1.557 1.408 -2.327) 3.134 1.220 ( -1.132 -0.816 -2.277) 2.671 1.396 ( 6.246 -1.870 5.263) 8.379 1.483 ( -4.199 1.414 5.710) 7.227 1.532 ( 1.027 -2.946 -0.066) 3.121 1.672 ( 2.446 1.821 -3.898) 4.949 1.770 ( -0.518 -1.640 -1.256) 2.130 1.862 ( -3.849 2.568 -3.268) 5.665 2.548 ( 1.708 4.717 2.946) 5.817 2.569 ( 4.097 3.004 0.195) 5.084 2.634 ( 7.351 0.130 4.417) 8.576 2.957 ( -1.206 5.598 -0.040) 5.726 3.076 ( 0.112 -0.139 1.009) 1.025 3.146 ( -2.570 2.387 1.235) 3.719 3.405 ( -5.345 -4.515 1.327) 7.122 3.431 ( -2.302 -2.926 -2.326) 4.390 3.618 ( -0.593 -1.743 1.541) 2.401 3.649 ( -4.246 -6.563 -0.294) 7.822 3.815 ( -1.849 1.904 0.744) 2.757 3.841 ( 2.864 -1.694 2.178) 3.977 3.951 ( 5.384 2.395 -2.024) 6.230 4.120 ( -2.415 0.230 -2.884) 3.768 4.513 ( 0.802 3.775 2.617) 4.663 4.631 ( -2.613 0.203 -1.738) 3.145 5.030 ( -1.169 -1.618 0.253) 2.013 5.094 ( 2.348 0.395 -3.250) 4.029 5.425 ( -3.865 -2.160 4.108) 6.040 5.501 ( 2.281 1.538 -2.996) 4.068 5.706 ( -0.929 0.219 6.550) 6.619 5.818 ( 1.172 1.363 0.955) 2.035 5.872 ( 0.209 -2.695 -3.552) 4.464 5.977 ( 0.003 -4.294 -6.856) 8.090 6.541 ( 0.930 0.257 5.798) 5.877 6.740 ( 1.757 -2.012 -2.283) 3.514 6.901 ( -0.768 0.332 -0.429) 0.940 6.963 ( -1.042 2.833 -2.551) 3.952 7.253 ( 2.018 0.339 1.992) 2.856 7.397 ( -2.171 0.400 -2.123) 3.063 7.636 ( -2.101 -1.586 1.973) 3.290 7.638 ( 2.199 -2.156 0.149) 3.084 7.909 ( 1.151 0.283 2.732) 2.978 8.027 ( -0.944 0.581 -2.055) 2.335 11.000 ( -0.420 0.132 0.664) 0.797 11.048 ( -0.173 -0.269 -1.987) 2.012 12.735 ( 0.722 -1.187 -0.252) 1.412 12.738 ( -0.935 -1.259 0.473) 1.638 16.046 ( 0.775 0.087 2.314) 2.442 16.121 ( 0.227 -1.202 -1.466) 1.909 16.416 ( -0.510 0.678 0.754) 1.135 16.435 ( 0.312 0.919 -0.682) 1.187 16.764 ( 1.615 -0.184 4.422) 4.712 16.869 ( 0.160 3.308 0.951) 3.446 16.934 ( -1.921 0.786 1.202) 2.399 17.042 ( 0.826 -0.423 -1.710) 1.945 17.188 ( 1.480 3.100 -2.627) 4.324 17.276 ( -1.213 3.971 -2.923) 5.078 ======================= Grid point 140 (71/92) ======================= q-point: (-0.44 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.931 ( -5.137 0.969 1.052) 5.332 0.986 ( -5.019 4.062 3.283) 7.244 1.051 ( 1.904 -2.209 -3.220) 4.344 1.103 ( 2.713 -1.555 1.733) 3.575 1.155 ( -0.306 0.316 -0.125) 0.457 1.218 ( 3.744 0.228 -3.503) 5.132 1.438 ( -6.326 0.569 3.175) 7.101 1.524 ( 0.398 -4.443 -1.984) 4.882 1.563 ( 2.121 -2.087 4.667) 5.535 1.635 ( 1.902 1.249 -5.862) 6.288 1.744 ( -3.749 2.583 2.344) 5.121 1.833 ( 4.590 0.574 -1.775) 4.954 2.519 ( -5.746 1.146 2.865) 6.522 2.586 ( -1.663 3.310 0.089) 3.705 2.779 ( -11.059 3.453 -7.041) 13.557 2.882 ( 7.163 2.289 5.543) 9.342 3.086 ( -2.099 5.346 2.091) 6.112 3.204 ( 6.677 0.486 -1.468) 6.854 3.371 ( 0.163 -3.866 1.975) 4.344 3.380 ( -0.025 -3.798 0.930) 3.910 3.600 ( -1.467 -5.832 1.788) 6.274 3.670 ( 5.128 -1.854 -0.195) 5.456 3.787 ( -3.096 2.441 2.216) 4.522 3.887 ( 3.946 -0.133 -4.068) 5.669 4.011 ( -2.591 -0.433 -0.942) 2.791 4.059 ( 2.905 0.824 -0.701) 3.100 4.553 ( -1.724 0.963 1.154) 2.287 4.585 ( 1.455 1.841 0.170) 2.352 5.018 ( -2.249 -0.350 1.739) 2.864 5.097 ( 3.367 1.784 -3.905) 5.456 5.413 ( -2.945 -0.615 3.906) 4.930 5.525 ( 4.819 -1.055 -3.626) 6.122 5.757 ( -2.413 -0.216 5.904) 6.382 5.831 ( -0.105 0.249 -1.668) 1.690 5.853 ( 0.471 -4.057 0.362) 4.100 5.907 ( 1.236 -1.760 -5.545) 5.948 6.632 ( 0.801 -1.212 6.349) 6.513 6.684 ( -0.773 -1.795 -6.759) 7.036 6.909 ( -0.169 2.170 2.076) 3.008 6.927 ( -0.296 2.101 -1.808) 2.788 7.313 ( -3.010 0.446 -2.795) 4.132 7.332 ( 2.832 0.273 3.094) 4.203 7.620 ( -2.472 -1.730 1.633) 3.430 7.667 ( 1.523 -1.988 -0.590) 2.573 7.957 ( -0.561 0.409 1.906) 2.029 7.988 ( 0.929 -0.072 -1.854) 2.075 11.010 ( 0.141 0.106 1.176) 1.189 11.027 ( 0.361 -0.014 -1.598) 1.639 12.729 ( -0.606 -1.186 0.297) 1.364 12.750 ( 1.369 -1.186 -0.528) 1.887 16.078 ( -0.167 -0.435 2.298) 2.344 16.095 ( -0.848 -0.769 -2.015) 2.317 16.417 ( -0.523 0.752 0.851) 1.250 16.433 ( 0.477 1.034 -0.710) 1.342 16.815 ( -2.484 -0.267 2.428) 3.484 16.859 ( 0.454 -0.033 -1.070) 1.163 16.940 ( -1.520 2.361 5.352) 6.044 17.013 ( 1.294 1.161 -4.235) 4.578 17.208 ( -1.308 3.379 -1.762) 4.028 17.225 ( 1.606 3.815 -0.388) 4.157 ======================= Grid point 141 (72/92) ======================= q-point: (-0.33 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.802 ( -8.877 1.316 -5.219) 10.382 0.890 ( -9.110 3.602 5.506) 11.237 1.088 ( 0.007 -0.825 -1.958) 2.125 1.122 ( 1.680 2.290 1.102) 3.046 1.176 ( 1.490 -2.180 2.408) 3.574 1.264 ( 2.269 1.212 -0.720) 2.671 1.338 ( -3.774 -0.254 -1.396) 4.032 1.525 ( 0.953 -2.539 -0.447) 2.748 1.572 ( -3.763 -1.561 1.712) 4.419 1.622 ( 0.111 1.237 -1.744) 2.141 1.702 ( -2.728 2.997 1.431) 4.298 1.952 ( 7.913 -0.021 1.156) 7.997 2.380 ( -15.826 6.447 -2.554) 17.279 2.451 ( -6.791 1.164 3.314) 7.645 2.660 ( 2.088 1.982 -2.834) 4.040 2.978 ( 0.828 1.154 1.930) 2.396 3.057 ( -0.301 4.455 -3.940) 5.955 3.236 ( 1.764 -2.571 -1.932) 3.668 3.419 ( 0.597 -2.510 1.087) 2.800 3.481 ( 2.280 -3.549 7.591) 8.684 3.628 ( 2.539 -5.122 1.064) 5.815 3.765 ( -0.932 1.210 -0.132) 1.533 3.784 ( 5.912 -1.709 0.558) 6.179 3.883 ( 0.610 3.093 -4.465) 5.466 3.925 ( 2.309 -5.549 -5.250) 7.980 4.132 ( 2.010 0.144 3.003) 3.617 4.517 ( -0.809 4.922 -1.062) 5.100 4.652 ( 2.480 -0.135 3.047) 3.931 5.001 ( -1.058 -1.444 1.276) 2.198 5.117 ( 3.205 0.722 -2.533) 4.148 5.425 ( -0.596 1.778 3.365) 3.852 5.555 ( 3.175 -3.552 -3.792) 6.089 5.739 ( -2.579 1.377 -0.282) 2.937 5.813 ( -0.256 -1.550 -4.051) 4.345 5.837 ( -0.235 -0.795 2.230) 2.379 5.952 ( 3.661 -3.344 3.685) 6.177 6.589 ( -1.090 -0.893 -6.792) 6.937 6.669 ( -3.520 -1.664 2.538) 4.647 6.907 ( 0.073 1.028 0.689) 1.239 6.958 ( 2.174 1.408 3.046) 3.998 7.236 ( -2.307 0.894 -1.776) 3.046 7.409 ( 1.478 0.747 1.775) 2.428 7.588 ( -2.928 -2.083 0.671) 3.655 7.683 ( 1.532 -1.784 -0.480) 2.400 7.912 ( -1.805 -0.707 -2.837) 3.436 8.031 ( 1.798 2.352 1.516) 3.326 11.017 ( 0.655 -0.215 -0.478) 0.839 11.037 ( 0.624 0.101 1.155) 1.316 12.726 ( -0.069 -1.037 0.215) 1.061 12.766 ( 1.421 -1.176 -0.892) 2.049 16.048 ( -1.623 -0.358 -2.123) 2.696 16.092 ( -1.116 -0.911 1.797) 2.303 16.418 ( -0.377 0.777 0.741) 1.138 16.436 ( 0.636 1.216 -0.507) 1.463 16.746 ( -4.168 0.618 -1.843) 4.599 16.857 ( -1.109 0.900 0.185) 1.440 16.982 ( 0.776 -1.109 0.527) 1.452 17.016 ( 0.861 0.405 0.800) 1.243 17.140 ( -2.381 4.078 -0.305) 4.732 17.280 ( 2.362 4.084 2.118) 5.172 ======================= Grid point 142 (73/92) ======================= q-point: (-0.22 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.547 ( -10.470 7.185 -2.760) 12.995 0.804 ( -10.041 3.406 8.668) 13.695 1.072 ( -1.693 -2.048 1.443) 3.024 1.171 ( 0.794 0.652 -0.478) 1.133 1.213 ( -1.371 1.415 0.099) 1.973 1.258 ( 2.477 1.473 0.863) 3.008 1.325 ( -0.140 0.700 3.066) 3.148 1.503 ( -9.098 -0.108 6.722) 11.313 1.526 ( 0.490 -1.576 -3.533) 3.900 1.618 ( 2.414 1.020 0.063) 2.621 1.700 ( 0.252 2.530 0.827) 2.674 2.067 ( 4.620 -0.921 -1.174) 4.855 2.169 ( -7.372 5.581 3.316) 9.823 2.394 ( -5.997 1.693 5.392) 8.240 2.672 ( 3.608 3.270 -4.235) 6.453 2.967 ( -0.194 1.470 -6.382) 6.552 3.012 ( -0.381 1.521 -0.277) 1.592 3.255 ( -0.413 -1.706 1.575) 2.358 3.387 ( -3.702 -5.039 -1.394) 6.406 3.538 ( -3.162 -4.422 2.985) 6.202 3.668 ( 1.352 -3.383 -1.924) 4.120 3.724 ( -0.948 -0.562 -4.796) 4.921 3.780 ( 0.705 1.652 -0.515) 1.868 3.955 ( 6.601 -2.991 -2.437) 7.646 3.983 ( 8.811 -2.868 -0.541) 9.282 4.181 ( -0.005 -1.275 1.908) 2.295 4.505 ( 0.587 5.039 -1.025) 5.175 4.719 ( 1.978 0.633 1.203) 2.400 5.037 ( 2.657 -2.498 3.095) 4.783 5.152 ( 3.708 -2.403 -0.963) 4.522 5.453 ( -1.311 0.271 2.834) 3.134 5.534 ( -0.157 -3.121 -4.061) 5.124 5.694 ( -1.015 4.057 -1.400) 4.410 5.786 ( 0.478 2.389 -1.376) 2.798 5.874 ( 1.078 -2.850 3.818) 4.885 6.078 ( 5.832 -4.864 3.178) 8.232 6.487 ( -3.099 -0.610 -4.811) 5.755 6.585 ( -6.907 -0.452 -0.424) 6.935 6.947 ( 1.968 -0.927 3.280) 3.936 7.039 ( 2.746 -2.119 1.937) 3.973 7.205 ( -0.532 1.926 1.125) 2.293 7.406 ( -1.852 2.576 -1.226) 3.401 7.538 ( -3.039 -2.095 -0.359) 3.708 7.712 ( 2.305 -1.415 -0.812) 2.824 7.850 ( -2.004 0.728 -1.414) 2.558 8.060 ( 0.493 3.577 -0.408) 3.633 11.031 ( 1.189 -0.265 0.097) 1.222 11.058 ( 0.095 -0.246 1.351) 1.377 12.733 ( 0.504 -0.779 0.433) 1.024 12.778 ( 1.244 -1.214 -0.649) 1.855 16.000 ( -1.249 -0.085 -1.460) 1.923 16.083 ( -1.954 -1.273 1.023) 2.547 16.421 ( -0.251 0.994 0.636) 1.207 16.443 ( 0.985 1.156 -0.501) 1.599 16.655 ( -3.735 1.328 -1.916) 4.403 16.823 ( -2.421 0.726 -1.904) 3.164 16.953 ( -4.105 -0.053 -1.476) 4.362 16.998 ( 1.634 0.908 -3.049) 3.577 17.184 ( 0.630 -0.329 6.836) 6.873 17.354 ( 3.646 4.156 1.587) 5.752 ======================= Grid point 143 (74/92) ======================= q-point: (-0.11 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.599 ( 4.920 3.930 17.019) 18.147 0.764 ( -7.984 1.791 10.949) 13.668 1.057 ( -0.354 -1.832 -0.779) 2.022 1.134 ( -2.267 0.236 -0.941) 2.466 1.185 ( 0.654 2.212 -2.687) 3.541 1.284 ( 0.633 1.162 -1.655) 2.119 1.398 ( -2.334 2.279 9.751) 10.282 1.442 ( -7.705 0.646 7.065) 10.474 1.491 ( 2.240 1.443 -4.192) 4.968 1.672 ( 2.715 -0.734 -0.916) 2.958 1.712 ( -0.470 2.470 1.653) 3.009 2.083 ( 1.193 -0.983 -5.814) 6.016 2.210 ( 1.944 -0.675 9.681) 9.897 2.382 ( -3.605 2.777 6.886) 8.254 2.684 ( 5.019 4.691 -5.950) 9.088 2.870 ( -1.421 0.521 -7.502) 7.653 2.990 ( -0.596 2.135 -2.710) 3.501 3.203 ( -4.670 -1.098 -3.515) 5.947 3.315 ( -1.819 -4.068 -0.108) 4.458 3.470 ( -5.778 -2.497 -0.112) 6.296 3.647 ( 1.439 -3.328 -2.973) 4.689 3.688 ( -1.245 -2.365 0.219) 2.682 3.816 ( 5.549 1.399 -1.633) 5.951 4.019 ( 1.683 -5.463 -2.391) 6.196 4.109 ( 4.998 -1.786 0.782) 5.365 4.172 ( -1.127 0.130 0.177) 1.148 4.516 ( 0.906 3.436 1.201) 3.751 4.730 ( 0.315 1.542 -2.998) 3.386 5.142 ( 4.588 -4.905 3.033) 7.369 5.225 ( 4.172 -3.935 1.478) 5.923 5.425 ( -4.334 -2.815 0.816) 5.232 5.472 ( -1.319 -2.490 -3.428) 4.438 5.686 ( 0.389 5.306 0.817) 5.383 5.777 ( -0.189 3.631 -1.289) 3.858 5.970 ( 4.081 -2.322 4.627) 6.592 6.197 ( 5.268 -5.191 -0.061) 7.396 6.395 ( -3.457 -0.191 -0.366) 3.482 6.460 ( -6.584 0.417 0.335) 6.606 7.018 ( 2.028 -1.594 1.210) 2.849 7.094 ( 1.757 -4.728 2.028) 5.436 7.222 ( -0.502 -0.083 1.144) 1.252 7.337 ( -4.007 2.440 -1.274) 4.861 7.517 ( 1.659 1.267 0.938) 2.289 7.721 ( 0.680 -0.597 -2.762) 2.907 7.841 ( 1.214 1.693 1.611) 2.634 8.032 ( -2.030 3.319 -2.057) 4.401 11.054 ( 1.174 -0.102 0.258) 1.206 11.070 ( -0.470 -0.333 1.215) 1.345 12.750 ( 0.443 -0.559 0.859) 1.117 12.795 ( 1.566 -1.475 -0.736) 2.274 15.981 ( 0.301 -0.216 -0.362) 0.518 16.052 ( -2.394 -1.320 0.154) 2.738 16.423 ( -0.246 1.420 0.552) 1.543 16.455 ( 0.883 1.032 -0.695) 1.526 16.589 ( -1.569 1.764 -1.029) 2.575 16.710 ( -5.964 1.155 -3.384) 6.954 16.904 ( -2.301 1.940 2.510) 3.919 16.992 ( 1.672 0.774 -3.118) 3.622 17.261 ( 0.558 -1.309 4.601) 4.816 17.408 ( 1.855 1.978 -1.703) 3.202 ======================= Grid point 144 (75/92) ======================= q-point: ( 0.00 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( -3.154 3.338 10.060) 11.058 0.947 ( 4.107 4.425 9.357) 11.136 0.998 ( 1.562 -0.240 -5.222) 5.456 1.148 ( -0.935 1.968 -4.512) 5.010 1.189 ( -0.392 1.064 1.819) 2.143 1.287 ( -0.760 0.012 -1.719) 1.880 1.358 ( 0.189 -0.764 -0.583) 0.979 1.414 ( 0.754 -1.042 -3.824) 4.035 1.575 ( -2.380 -0.809 4.766) 5.389 1.660 ( 2.758 -2.839 -2.649) 4.762 1.850 ( -0.642 5.703 7.089) 9.121 1.988 ( -0.825 0.292 -5.574) 5.642 2.348 ( 0.134 2.789 9.506) 9.908 2.487 ( 1.186 3.540 0.972) 3.858 2.704 ( -3.719 0.693 -2.321) 4.439 2.777 ( 2.710 1.039 -5.028) 5.806 3.014 ( 0.830 0.024 1.127) 1.400 3.079 ( -1.764 -0.653 -4.701) 5.063 3.324 ( -0.015 -0.877 4.158) 4.250 3.391 ( 1.095 1.989 -1.346) 2.640 3.530 ( -3.376 -4.411 -0.821) 5.615 3.566 ( 2.876 -7.519 -4.004) 8.991 3.925 ( 1.052 1.809 0.978) 2.310 3.935 ( -1.867 1.640 0.009) 2.485 4.127 ( -0.722 -2.506 0.651) 2.688 4.136 ( 1.031 -3.268 -0.159) 3.430 4.641 ( 0.137 5.040 3.292) 6.021 4.721 ( -1.280 3.139 -3.428) 4.821 5.149 ( 1.231 -2.764 2.202) 3.743 5.188 ( 0.004 -3.246 -1.315) 3.502 5.333 ( -2.451 -2.015 0.946) 3.311 5.373 ( 2.215 -3.113 -2.657) 4.654 5.731 ( 0.281 -1.458 1.522) 2.126 5.780 ( -0.572 -1.059 -2.669) 2.928 6.064 ( 1.266 -0.214 4.139) 4.333 6.133 ( -1.066 -2.716 -1.925) 3.496 6.378 ( 2.538 -0.749 1.131) 2.877 6.393 ( -1.238 -0.982 -0.222) 1.595 7.061 ( 1.921 0.249 1.015) 2.187 7.069 ( -1.015 0.169 0.889) 1.360 7.209 ( -0.440 -0.980 1.605) 1.931 7.259 ( -0.618 -1.486 -2.596) 3.054 7.615 ( 0.824 1.432 2.378) 2.895 7.669 ( -1.820 -0.214 -2.415) 3.031 7.934 ( 1.856 1.413 2.088) 3.131 7.988 ( -1.567 0.471 -3.092) 3.498 11.068 ( -0.533 -0.034 0.740) 0.913 11.074 ( 0.728 -0.103 0.197) 0.762 12.745 ( -0.233 -1.151 0.829) 1.437 12.769 ( 0.734 -1.929 -1.178) 2.376 15.987 ( 1.304 -0.739 0.163) 1.507 15.992 ( -1.301 -0.968 -0.270) 1.644 16.462 ( -0.972 1.945 0.992) 2.390 16.482 ( 0.273 1.752 -0.636) 1.884 16.601 ( -2.008 0.786 1.362) 2.551 16.645 ( 1.990 0.399 -2.569) 3.274 16.957 ( -1.167 2.866 2.245) 3.823 17.009 ( 1.279 1.378 -2.416) 3.061 17.331 ( 0.371 1.986 3.717) 4.231 17.400 ( -0.780 0.797 -2.740) 2.958 ======================= Grid point 145 (76/92) ======================= q-point: ( 0.11 0.29 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.905 ( 0.403 2.616 8.159) 8.578 0.944 ( -1.784 3.902 -4.760) 6.409 1.006 ( 0.467 1.472 -11.848) 11.948 1.112 ( 2.474 0.251 5.544) 6.076 1.223 ( -1.754 1.169 0.035) 2.108 1.248 ( -0.759 1.726 -0.855) 2.070 1.322 ( -0.899 -1.641 2.951) 3.495 1.427 ( 0.350 -3.346 -1.500) 3.683 1.602 ( 0.043 -1.183 3.213) 3.424 1.675 ( 3.687 -2.331 -4.100) 5.986 1.891 ( -2.080 3.891 -1.232) 4.581 1.950 ( 1.489 1.436 3.278) 3.876 2.413 ( -1.170 2.191 -1.193) 2.755 2.483 ( 2.473 1.665 -2.282) 3.754 2.677 ( -0.775 4.772 4.552) 6.640 2.836 ( 7.825 2.247 -1.998) 8.383 3.017 ( 0.757 0.224 -1.495) 1.691 3.103 ( 4.279 1.013 3.102) 5.381 3.260 ( -5.393 -0.490 -0.842) 5.481 3.445 ( -1.028 -2.189 2.970) 3.830 3.487 ( 0.933 -2.755 -0.434) 2.941 3.599 ( 4.637 -7.522 -1.775) 9.013 3.857 ( -4.616 2.611 -0.007) 5.303 3.946 ( -2.077 1.412 0.538) 2.568 4.068 ( -5.542 -4.159 -0.254) 6.934 4.164 ( 1.696 -2.465 -0.006) 2.992 4.626 ( -3.332 4.538 -0.203) 5.633 4.710 ( 0.655 3.674 1.884) 4.180 5.083 ( -5.315 -3.340 -0.546) 6.301 5.183 ( -2.052 -4.003 -1.483) 4.737 5.348 ( 2.742 -1.431 2.121) 3.750 5.429 ( 4.988 -0.900 -1.468) 5.277 5.748 ( 0.363 -2.041 -1.340) 2.468 5.768 ( 0.910 -1.492 1.824) 2.526 6.021 ( -6.179 -0.501 -1.475) 6.372 6.090 ( -3.242 -2.646 0.434) 4.207 6.403 ( 2.997 -0.071 -0.955) 3.146 6.469 ( 6.374 -1.053 -0.471) 6.477 7.021 ( -2.723 0.495 -0.331) 2.788 7.073 ( -1.967 -1.554 -1.262) 2.806 7.231 ( 2.908 0.268 0.487) 2.961 7.305 ( 4.636 -1.664 1.279) 5.089 7.583 ( -4.502 1.635 -0.994) 4.892 7.648 ( -0.970 -0.358 2.406) 2.618 7.916 ( -1.471 2.233 -1.422) 3.028 8.016 ( 2.880 -0.313 1.161) 3.120 11.058 ( -1.132 0.238 0.073) 1.159 11.081 ( 0.263 -0.448 -0.409) 0.661 12.742 ( -1.053 -1.422 0.516) 1.843 12.757 ( -0.291 -1.634 -1.191) 2.043 15.976 ( -0.127 -0.105 -0.195) 0.256 16.020 ( 2.156 -1.542 0.205) 2.659 16.450 ( -1.343 1.442 0.873) 2.155 16.476 ( -0.926 1.494 0.210) 1.770 16.599 ( 1.208 1.838 0.724) 2.316 16.702 ( 5.740 0.125 -0.694) 5.783 16.960 ( -1.462 2.458 2.135) 3.569 17.000 ( 1.058 1.407 -2.272) 2.874 17.356 ( -0.486 1.807 -1.966) 2.714 17.382 ( 0.670 1.709 2.365) 2.993 ======================= Grid point 146 (77/92) ======================= q-point: ( 0.22 0.29 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.787 ( -1.886 6.273 -8.542) 10.765 0.978 ( 4.853 1.316 -4.663) 6.858 1.011 ( 2.074 1.445 3.296) 4.154 1.158 ( -1.123 0.196 -0.370) 1.198 1.195 ( 1.643 0.760 2.588) 3.158 1.255 ( -2.247 0.449 3.568) 4.240 1.352 ( -0.712 -5.442 -2.560) 6.056 1.389 ( -3.354 -0.916 4.581) 5.751 1.604 ( -1.633 0.995 -0.865) 2.099 1.692 ( 3.952 -1.379 -4.382) 6.060 1.840 ( -0.097 3.986 -2.832) 4.891 2.009 ( -0.319 -0.754 2.839) 2.955 2.372 ( 3.436 5.060 -4.248) 7.447 2.527 ( 3.931 1.122 -1.548) 4.371 2.706 ( -1.349 6.059 1.193) 6.321 2.934 ( 3.145 7.154 1.748) 8.008 3.046 ( 2.994 0.933 -0.303) 3.151 3.199 ( 0.284 -6.946 1.074) 7.034 3.214 ( 3.153 -1.788 2.278) 4.281 3.430 ( -5.262 -1.839 5.569) 7.879 3.534 ( 3.898 -2.621 1.169) 4.841 3.678 ( 5.712 -3.886 -1.129) 7.000 3.755 ( -8.304 -1.037 1.608) 8.522 3.903 ( -4.770 -1.563 -1.287) 5.182 3.959 ( -3.184 -0.067 -0.703) 3.261 4.185 ( 0.855 -2.475 -0.617) 2.690 4.586 ( -1.254 5.456 0.561) 5.626 4.731 ( -1.332 2.441 1.945) 3.393 5.016 ( -1.976 -2.926 0.706) 3.601 5.104 ( -3.655 -3.555 -2.847) 5.840 5.415 ( 0.666 -0.506 2.610) 2.741 5.486 ( 3.569 0.436 -1.054) 3.746 5.743 ( 0.533 -4.715 -1.436) 4.958 5.796 ( -0.839 3.327 0.939) 3.558 5.913 ( -3.142 -1.463 -1.096) 3.635 6.014 ( -3.561 -4.432 -2.474) 6.201 6.450 ( 2.826 1.157 0.123) 3.057 6.573 ( 6.470 -0.950 -0.395) 6.551 6.982 ( -2.018 -0.140 -0.966) 2.241 7.010 ( -1.658 -2.555 -1.189) 3.270 7.282 ( 2.436 1.686 -1.605) 3.370 7.394 ( 2.344 -0.148 2.668) 3.555 7.519 ( -1.334 0.943 -0.043) 1.634 7.646 ( -2.359 -1.690 2.052) 3.554 7.893 ( 0.155 2.968 -0.766) 3.069 8.062 ( 0.612 -0.757 1.306) 1.629 11.035 ( -1.347 0.287 -0.240) 1.398 11.074 ( -0.067 -0.841 -1.004) 1.311 12.723 ( -0.986 -1.430 -0.434) 1.790 12.738 ( -1.103 -1.590 -0.021) 1.935 15.985 ( 1.027 0.513 0.362) 1.203 16.058 ( 2.115 -1.987 -0.025) 2.902 16.440 ( -1.019 1.148 0.809) 1.735 16.463 ( -0.795 1.165 0.383) 1.461 16.648 ( 2.861 2.224 1.064) 3.777 16.800 ( 5.697 -0.655 0.142) 5.736 16.958 ( -1.474 2.009 1.951) 3.165 16.998 ( 1.209 1.191 -1.260) 2.114 17.325 ( 0.334 3.384 -3.050) 4.568 17.409 ( -0.152 2.287 1.108) 2.546 ======================= Grid point 147 (78/92) ======================= q-point: ( 0.33 0.29 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.759 ( 3.709 4.720 0.718) 6.046 1.011 ( 3.007 0.222 -2.534) 3.939 1.049 ( 1.545 -0.124 -0.176) 1.560 1.152 ( -0.776 -1.269 0.498) 1.569 1.218 ( -1.803 -1.980 -3.293) 4.245 1.256 ( -2.845 -1.746 3.020) 4.501 1.293 ( 0.905 1.369 1.060) 1.954 1.409 ( -0.881 -2.916 3.982) 5.014 1.572 ( -1.441 2.767 -0.036) 3.120 1.698 ( 2.655 -0.885 -4.626) 5.407 1.810 ( -0.433 4.176 -1.543) 4.473 1.994 ( -2.935 0.611 -0.363) 3.019 2.465 ( 8.782 5.885 2.326) 10.825 2.566 ( 4.230 0.516 -4.113) 5.922 2.669 ( -1.895 5.851 -0.543) 6.174 3.009 ( 1.086 6.625 5.723) 8.822 3.076 ( 2.922 -0.398 -2.736) 4.023 3.193 ( -2.339 -1.766 0.871) 3.057 3.322 ( 2.822 -5.443 4.238) 7.454 3.412 ( -3.280 -3.373 2.974) 5.566 3.569 ( -3.464 -3.594 -0.889) 5.071 3.646 ( -6.720 -1.472 3.150) 7.566 3.743 ( 0.492 -2.567 2.238) 3.440 3.818 ( 2.280 -2.372 -1.414) 3.581 3.954 ( 2.354 3.102 -2.122) 4.434 4.171 ( -1.084 -1.858 -1.544) 2.647 4.590 ( -0.382 5.643 1.461) 5.842 4.703 ( -2.593 1.267 -0.766) 2.986 5.015 ( -0.187 -2.021 -2.291) 3.061 5.047 ( -0.133 -1.563 3.694) 4.014 5.421 ( -2.843 -0.717 1.993) 3.545 5.517 ( 1.966 0.288 -2.133) 2.916 5.708 ( -1.801 -3.740 -1.490) 4.410 5.784 ( 0.064 3.305 0.288) 3.318 5.896 ( -0.240 -1.058 0.369) 1.146 5.931 ( -1.044 -5.528 -4.812) 7.403 6.499 ( 1.567 1.857 2.144) 3.240 6.665 ( 4.526 -1.685 -0.591) 4.865 6.932 ( -1.354 0.306 -0.902) 1.656 7.006 ( 0.524 -1.078 0.610) 1.345 7.270 ( -0.160 2.813 -2.400) 3.701 7.430 ( -0.607 0.226 1.092) 1.270 7.541 ( 2.489 -1.968 0.458) 3.206 7.621 ( -2.702 -2.251 1.441) 3.801 7.899 ( 0.772 2.554 0.285) 2.683 8.064 ( -1.293 -0.813 0.161) 1.536 11.013 ( -0.959 0.324 -0.070) 1.014 11.058 ( -0.210 -0.920 -1.307) 1.612 12.707 ( -0.281 -1.364 -0.291) 1.423 12.721 ( -1.200 -1.638 0.478) 2.086 16.015 ( 1.386 0.627 1.039) 1.842 16.086 ( 1.398 -1.870 -0.379) 2.365 16.435 ( -0.742 1.123 0.824) 1.579 16.457 ( -0.313 0.942 0.160) 1.006 16.710 ( 2.339 1.659 1.814) 3.393 16.874 ( 3.184 -1.791 -1.170) 3.836 16.960 ( -1.202 2.429 2.492) 3.681 17.018 ( 1.765 0.840 0.358) 1.988 17.297 ( 0.832 5.255 -3.439) 6.335 17.400 ( -0.667 3.415 -1.299) 3.714 ======================= Grid point 148 (79/92) ======================= q-point: ( 0.44 0.29 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.880 ( 4.544 0.537 5.345) 7.036 1.000 ( -1.194 -0.887 -0.226) 1.505 1.066 ( 1.123 -0.230 -2.214) 2.493 1.127 ( -1.541 0.802 -0.399) 1.782 1.175 ( 1.581 -2.621 -2.998) 4.285 1.207 ( -4.178 -0.805 -0.381) 4.272 1.367 ( 3.808 -0.550 3.781) 5.394 1.448 ( 0.675 -3.061 1.060) 3.309 1.541 ( -3.047 2.203 2.020) 4.269 1.670 ( 0.737 -1.832 -4.994) 5.370 1.808 ( 0.554 5.186 1.019) 5.315 1.920 ( -2.912 3.178 -2.642) 5.056 2.572 ( -0.706 -0.092 0.493) 0.866 2.607 ( 1.322 -0.912 -1.030) 1.908 2.741 ( 11.535 9.675 4.766) 15.792 3.055 ( -3.399 0.702 -2.332) 4.181 3.112 ( 2.147 6.777 6.129) 9.386 3.182 ( 2.251 0.238 0.368) 2.293 3.311 ( -7.239 -4.616 1.491) 8.714 3.363 ( -3.815 -2.596 -2.502) 5.249 3.518 ( -5.136 -6.408 3.350) 8.869 3.566 ( 1.605 -3.634 -1.317) 4.185 3.829 ( 1.293 0.484 3.453) 3.718 3.848 ( 1.949 1.151 0.158) 2.269 3.989 ( 4.748 1.659 -2.007) 5.415 4.111 ( -3.025 -1.368 -2.770) 4.324 4.586 ( -1.537 3.175 0.940) 3.650 4.642 ( -1.638 0.735 -2.474) 3.057 5.022 ( 0.531 1.126 2.996) 3.244 5.104 ( 2.194 0.913 0.784) 2.502 5.385 ( -3.405 -1.734 2.427) 4.527 5.501 ( 1.351 -1.629 -4.714) 5.168 5.696 ( 0.399 -2.621 1.423) 3.009 5.788 ( -0.764 -0.595 0.135) 0.978 5.877 ( 0.678 -4.893 -3.620) 6.124 5.886 ( -0.147 1.290 -1.455) 1.950 6.553 ( 0.778 1.119 3.752) 3.992 6.692 ( 1.017 -2.754 -2.977) 4.181 6.930 ( 0.497 2.486 1.617) 3.007 7.019 ( 0.383 2.541 -0.967) 2.746 7.259 ( 0.833 0.394 0.808) 1.226 7.396 ( -2.557 -0.906 -2.247) 3.523 7.587 ( 2.042 -2.638 0.258) 3.346 7.600 ( -1.775 -2.040 1.713) 3.201 7.925 ( 1.211 1.371 1.554) 2.400 8.026 ( -1.963 -0.754 -1.564) 2.621 11.005 ( -0.242 0.321 0.442) 0.597 11.039 ( -0.137 -0.610 -1.432) 1.563 12.708 ( 0.542 -1.445 -0.129) 1.549 12.709 ( -0.816 -1.517 0.523) 1.801 16.048 ( 0.770 0.230 1.428) 1.639 16.094 ( 0.337 -1.408 -0.813) 1.660 16.434 ( -0.576 1.156 0.994) 1.629 16.455 ( 0.075 0.890 -0.295) 0.941 16.765 ( 0.934 0.324 2.853) 3.019 16.878 ( 0.383 -2.368 -2.799) 3.687 16.978 ( -0.677 3.659 3.280) 4.960 17.048 ( 1.110 0.939 -0.258) 1.477 17.284 ( 1.318 6.092 -1.554) 6.424 17.361 ( -0.961 4.248 -2.927) 5.248 ======================= Grid point 149 (80/92) ======================= q-point: (-0.44 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( -2.991 -0.035 1.959) 3.575 1.012 ( 0.827 -1.409 -3.601) 3.955 1.061 ( -1.797 2.164 1.876) 3.382 1.085 ( 0.709 -1.169 1.547) 2.065 1.146 ( -1.341 -0.157 -0.821) 1.581 1.202 ( 3.776 -1.391 -0.987) 4.144 1.430 ( -1.692 -1.284 -1.771) 2.765 1.449 ( 1.700 -2.942 -0.573) 3.446 1.545 ( -1.592 0.635 4.841) 5.135 1.640 ( 3.038 -0.802 -3.688) 4.845 1.828 ( -2.065 5.653 1.366) 6.172 1.871 ( 1.896 3.351 -0.851) 3.943 2.535 ( -4.940 0.413 2.036) 5.359 2.622 ( 2.475 -0.178 -0.960) 2.661 2.868 ( -11.947 5.763 -5.755) 14.459 2.970 ( 4.792 5.705 4.967) 8.955 3.175 ( -2.203 0.849 1.845) 2.996 3.231 ( -1.317 3.047 -2.858) 4.380 3.283 ( 3.673 -4.802 2.372) 6.494 3.296 ( 4.107 -1.840 2.470) 5.134 3.493 ( -2.590 -5.140 3.649) 6.815 3.614 ( 6.342 -3.942 -3.120) 8.093 3.825 ( -3.361 1.568 2.086) 4.255 3.886 ( 0.863 -0.175 -1.249) 1.528 4.009 ( -3.394 0.293 -3.042) 4.567 4.064 ( 3.656 -0.333 0.376) 3.690 4.578 ( -1.088 1.425 2.231) 2.862 4.617 ( 1.483 0.983 -1.218) 2.156 5.044 ( -3.348 3.180 2.570) 5.285 5.131 ( 3.048 2.000 -2.837) 4.619 5.390 ( -0.705 -1.812 4.348) 4.763 5.478 ( 2.889 -3.685 -4.893) 6.772 5.739 ( 1.109 -2.501 2.596) 3.771 5.753 ( -0.691 -4.509 -2.097) 5.021 5.846 ( -2.087 0.847 -0.598) 2.331 5.885 ( 1.894 -0.294 -1.381) 2.362 6.609 ( 0.057 -0.859 4.098) 4.187 6.648 ( -0.514 -1.797 -4.450) 4.826 6.969 ( 0.472 3.852 2.732) 4.746 6.986 ( -1.002 3.812 -2.896) 4.892 7.309 ( -2.411 -1.110 -2.140) 3.410 7.325 ( 2.351 -1.267 2.730) 3.819 7.582 ( -2.106 -1.853 1.001) 2.978 7.620 ( 1.431 -2.642 -0.177) 3.010 7.965 ( -1.111 0.378 -0.265) 1.203 7.985 ( 1.733 -0.273 0.431) 1.806 11.012 ( 0.070 0.088 0.691) 0.700 11.025 ( 0.433 -0.199 -1.115) 1.213 12.703 ( -0.401 -1.272 0.294) 1.365 12.721 ( 1.258 -1.611 -0.476) 2.098 16.069 ( -0.417 -0.487 1.312) 1.460 16.079 ( -0.706 -0.811 -1.098) 1.536 16.437 ( -0.544 1.225 0.994) 1.669 16.455 ( 0.578 1.006 -0.536) 1.278 16.799 ( -1.798 -1.066 2.918) 3.589 16.841 ( -0.161 -1.733 -2.486) 3.035 17.002 ( -1.288 3.583 3.043) 4.874 17.047 ( 0.904 2.050 -2.018) 3.015 17.296 ( -1.244 5.152 -0.787) 5.358 17.315 ( 1.011 4.826 -0.872) 5.007 ======================= Grid point 150 (81/92) ======================= q-point: (-0.33 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.838 ( -5.891 2.441 -4.662) 7.899 0.954 ( -5.163 2.717 2.752) 6.451 1.062 ( 0.090 -1.757 -1.381) 2.237 1.140 ( 0.993 -0.877 2.480) 2.812 1.152 ( 2.708 -1.001 0.316) 2.904 1.257 ( 2.398 -0.790 1.380) 2.878 1.368 ( -0.753 2.967 -4.176) 5.178 1.459 ( 1.262 -3.308 -0.687) 3.606 1.564 ( -1.560 0.311 2.164) 2.686 1.653 ( 1.021 0.788 -1.770) 2.190 1.780 ( -3.498 5.666 1.222) 6.770 1.957 ( 4.908 0.517 2.447) 5.509 2.475 ( -5.507 1.908 3.345) 6.720 2.559 ( -13.892 10.905 -3.844) 18.074 2.669 ( 3.427 -1.476 -2.490) 4.485 3.009 ( -2.938 1.032 3.282) 4.524 3.133 ( -2.856 0.559 -4.362) 5.243 3.203 ( 2.823 2.543 0.076) 3.800 3.353 ( -3.564 -5.380 1.206) 6.565 3.406 ( 4.112 -2.546 3.038) 5.711 3.540 ( 4.791 -3.509 1.902) 6.235 3.725 ( 10.805 -5.008 -2.402) 12.149 3.778 ( -2.935 0.184 -0.032) 2.941 3.826 ( -4.763 -3.137 -2.709) 6.314 3.948 ( 0.515 3.398 -2.387) 4.185 4.123 ( 0.919 -1.326 2.407) 2.898 4.605 ( 0.836 3.517 1.468) 3.902 4.656 ( 2.625 0.449 1.801) 3.215 4.997 ( -2.155 1.504 -0.173) 2.633 5.130 ( 1.130 0.559 -3.658) 3.869 5.440 ( 0.098 -0.490 3.923) 3.955 5.485 ( 2.888 -3.441 -3.141) 5.482 5.713 ( 0.589 -3.602 -1.706) 4.029 5.801 ( -1.621 2.375 -1.071) 3.069 5.826 ( 3.466 -3.303 3.817) 6.123 5.898 ( 0.368 -1.022 0.113) 1.092 6.573 ( -2.111 -0.564 -4.214) 4.747 6.633 ( -2.789 -1.838 2.302) 4.056 6.944 ( 0.033 2.291 -1.832) 2.933 6.997 ( -0.323 2.430 1.676) 2.969 7.248 ( -1.355 0.521 -0.768) 1.642 7.409 ( 1.741 -1.386 2.858) 3.622 7.549 ( -2.101 -1.182 -0.224) 2.421 7.640 ( 1.581 -2.514 -0.116) 2.972 7.922 ( -1.181 1.538 -1.787) 2.637 8.048 ( 2.483 -0.595 1.675) 3.054 11.015 ( 0.437 0.021 -0.230) 0.494 11.034 ( 0.634 -0.337 0.551) 0.905 12.703 ( 0.217 -1.056 0.091) 1.082 12.736 ( 1.391 -1.727 -0.865) 2.380 16.041 ( -1.669 -0.270 -1.243) 2.098 16.071 ( -1.264 -1.193 1.011) 2.010 16.440 ( -0.193 1.350 0.641) 1.506 16.461 ( 0.763 1.193 -0.392) 1.469 16.752 ( -3.413 0.031 -1.219) 3.624 16.835 ( -1.487 -2.713 1.590) 3.478 16.996 ( -1.334 2.546 0.219) 2.883 17.043 ( 0.477 1.609 -1.540) 2.278 17.247 ( -1.991 6.342 -0.062) 6.648 17.359 ( 1.857 3.514 2.079) 4.485 ======================= Grid point 151 (82/92) ======================= q-point: (-0.22 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.699 ( -4.593 7.895 -1.567) 9.267 0.887 ( -6.257 4.864 3.318) 8.592 1.036 ( -1.219 -1.886 0.206) 2.255 1.176 ( 1.744 0.489 -0.664) 1.929 1.235 ( 2.645 -0.871 1.869) 3.354 1.295 ( -0.001 0.278 0.010) 0.278 1.317 ( 1.570 1.567 -2.791) 3.565 1.480 ( 2.666 -2.796 -2.210) 4.450 1.536 ( -5.433 2.763 5.325) 8.094 1.637 ( 0.013 0.453 -1.432) 1.502 1.765 ( -2.178 4.501 3.795) 6.277 2.040 ( 2.543 -2.062 -0.192) 3.279 2.329 ( -8.521 10.536 0.079) 13.551 2.447 ( -3.436 3.757 4.020) 6.487 2.715 ( 3.367 0.836 -0.497) 3.504 2.983 ( -3.944 -0.916 0.206) 4.054 3.054 ( -1.565 2.356 -1.383) 3.149 3.233 ( 0.841 -1.569 -2.286) 2.898 3.254 ( -4.663 -6.211 -1.224) 7.862 3.456 ( -1.307 -3.694 1.243) 4.110 3.605 ( 0.623 -2.497 -0.814) 2.699 3.700 ( -4.062 -2.252 -4.087) 6.187 3.786 ( 4.280 -0.764 -0.244) 4.354 3.897 ( 10.119 -3.722 -1.319) 10.862 3.951 ( 2.345 1.263 -0.503) 2.711 4.148 ( -1.357 -2.455 2.585) 3.814 4.611 ( 0.233 5.506 -1.506) 5.713 4.732 ( 2.400 0.639 2.392) 3.448 5.002 ( 1.768 -0.627 1.385) 2.332 5.110 ( 2.445 -1.871 -3.262) 4.486 5.453 ( -2.711 -0.191 1.770) 3.243 5.478 ( -0.315 -2.680 -2.622) 3.763 5.732 ( 0.749 -3.317 -0.469) 3.433 5.790 ( 2.359 4.255 0.831) 4.935 5.888 ( -0.234 1.077 1.209) 1.636 5.958 ( 6.072 -6.551 2.336) 9.233 6.478 ( -4.235 -0.109 -2.576) 4.958 6.566 ( -6.440 -1.376 0.423) 6.599 6.953 ( 1.816 0.897 0.707) 2.145 7.008 ( 0.747 -1.053 0.041) 1.292 7.239 ( -1.114 1.960 1.672) 2.807 7.422 ( -2.666 -1.710 0.266) 3.178 7.525 ( 0.524 1.516 -0.476) 1.673 7.675 ( 2.519 -2.308 -0.320) 3.432 7.888 ( -0.996 3.036 -0.574) 3.246 8.087 ( 0.948 -0.861 -0.632) 1.428 11.028 ( 0.963 -0.033 0.369) 1.032 11.050 ( 0.246 -0.547 0.870) 1.057 12.714 ( 0.835 -0.993 0.189) 1.311 12.748 ( 1.197 -1.743 -0.737) 2.239 16.000 ( -1.470 0.069 -0.945) 1.748 16.052 ( -1.926 -1.691 0.535) 2.619 16.446 ( 0.266 1.527 0.421) 1.606 16.471 ( 0.874 1.378 -0.364) 1.672 16.678 ( -3.374 1.019 -1.281) 3.749 16.801 ( -4.101 -2.878 0.151) 5.012 16.971 ( -1.717 2.219 0.099) 2.807 17.023 ( 0.780 1.340 -2.758) 3.164 17.245 ( -0.866 5.544 3.609) 6.672 17.413 ( 2.089 1.856 0.880) 2.929 ======================= Grid point 152 (83/92) ======================= q-point: (-0.11 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.712 ( 0.586 7.241 10.127) 12.463 0.847 ( -3.496 6.122 4.992) 8.638 1.031 ( 0.311 -0.857 -1.151) 1.468 1.156 ( -0.932 2.122 -1.350) 2.682 1.226 ( 0.614 1.938 -3.617) 4.149 1.316 ( 0.666 1.282 -1.920) 2.403 1.332 ( 0.569 -4.541 1.393) 4.783 1.468 ( -1.103 -1.000 -1.799) 2.335 1.551 ( -1.791 3.111 5.876) 6.886 1.644 ( 1.917 -1.958 -1.038) 2.930 1.786 ( -1.176 4.887 5.776) 7.657 2.043 ( 0.376 -3.007 -2.761) 4.100 2.270 ( -2.697 6.782 5.399) 9.078 2.455 ( -1.581 4.469 4.292) 6.395 2.748 ( 1.865 1.754 -2.488) 3.570 2.874 ( -5.882 -1.664 -3.162) 6.882 3.021 ( -1.233 1.050 -1.223) 2.029 3.184 ( -2.961 -2.848 -3.537) 5.422 3.230 ( 3.309 -1.544 0.576) 3.697 3.424 ( -3.772 -2.066 2.121) 4.796 3.583 ( 0.664 -3.411 -4.231) 5.475 3.605 ( -1.960 -5.188 -3.191) 6.398 3.857 ( 3.691 2.650 0.203) 4.548 3.961 ( 1.407 -0.088 -0.646) 1.551 4.058 ( 6.321 -3.374 0.370) 7.175 4.145 ( -1.494 -2.768 1.593) 3.526 4.607 ( 0.746 5.650 0.261) 5.705 4.764 ( 0.246 1.637 -1.219) 2.056 5.065 ( 4.059 -2.247 1.005) 4.747 5.157 ( 4.068 -2.972 0.291) 5.046 5.395 ( -5.120 -0.853 -0.019) 5.191 5.421 ( -2.192 -2.541 -2.356) 4.100 5.723 ( -0.560 -1.329 0.283) 1.469 5.819 ( -0.095 0.639 -1.949) 2.053 5.955 ( 4.652 0.449 3.862) 6.062 6.087 ( 6.160 -5.051 0.840) 8.010 6.389 ( -3.992 -0.097 0.108) 3.994 6.457 ( -6.196 -0.816 0.566) 6.275 7.008 ( 2.284 0.262 1.586) 2.792 7.034 ( 2.211 -1.870 0.839) 3.015 7.227 ( -2.170 0.864 0.801) 2.469 7.342 ( -4.890 -1.190 -1.588) 5.277 7.561 ( 2.775 2.788 0.966) 4.051 7.699 ( 1.200 -1.600 -1.686) 2.615 7.886 ( 0.683 2.992 1.141) 3.274 8.060 ( -1.699 -0.585 -2.694) 3.239 11.052 ( 1.037 -0.079 0.666) 1.235 11.063 ( -0.043 -0.366 1.001) 1.066 12.732 ( 0.747 -1.040 0.462) 1.361 12.761 ( 1.162 -1.876 -0.569) 2.279 15.977 ( -0.194 -0.087 -0.313) 0.378 16.022 ( -1.978 -1.630 0.042) 2.564 16.457 ( 0.340 1.879 0.414) 1.954 16.482 ( 0.758 1.494 -0.380) 1.718 16.619 ( -1.844 1.207 -0.695) 2.311 16.709 ( -4.897 -1.252 -1.534) 5.283 16.954 ( -1.312 2.891 1.543) 3.530 17.013 ( 1.388 1.196 -2.408) 3.026 17.284 ( -0.177 3.380 4.101) 5.317 17.433 ( 0.581 0.486 -1.712) 1.873 ======================= Grid point 153 (84/92) ======================= q-point: ( 0.00 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.901 ( -0.062 4.053 4.933) 6.385 0.962 ( 2.198 -1.922 1.364) 3.223 1.072 ( 0.686 5.891 0.322) 5.940 1.159 ( -0.395 -1.821 -5.743) 6.037 1.221 ( -0.496 1.653 3.179) 3.617 1.248 ( -0.791 -2.272 2.316) 3.339 1.369 ( 2.166 1.029 -3.779) 4.475 1.389 ( -0.634 -1.294 -4.497) 4.723 1.565 ( -1.851 0.344 1.564) 2.447 1.599 ( 1.164 -2.971 -1.343) 3.462 1.935 ( -0.406 3.115 3.997) 5.084 1.977 ( 0.002 -1.360 -0.065) 1.362 2.439 ( 0.329 5.658 3.519) 6.672 2.520 ( 1.039 -1.499 -2.659) 3.225 2.732 ( -2.249 2.867 4.092) 5.480 2.784 ( 0.694 -1.203 0.401) 1.446 3.003 ( -0.229 0.023 -0.849) 0.880 3.036 ( -0.483 -2.905 -3.861) 4.856 3.331 ( -0.265 1.831 5.251) 5.568 3.398 ( 0.303 -3.809 2.850) 4.767 3.458 ( 1.017 -0.225 -5.387) 5.487 3.480 ( -0.234 -1.680 -4.760) 5.053 3.980 ( 1.517 3.261 0.675) 3.660 3.984 ( -1.929 3.207 0.526) 3.779 4.062 ( -2.131 -3.575 0.436) 4.184 4.069 ( 2.119 -3.581 -0.170) 4.164 4.735 ( -0.473 3.886 2.100) 4.443 4.766 ( -1.002 0.795 -0.434) 1.351 5.135 ( 1.045 0.834 1.026) 1.685 5.154 ( 0.131 -0.857 -0.601) 1.055 5.297 ( -2.331 -1.134 -0.663) 2.675 5.312 ( 2.124 -2.629 -1.980) 3.917 5.702 ( 0.193 -0.447 -0.340) 0.594 5.730 ( -0.303 -2.989 -2.702) 4.041 6.073 ( 0.593 0.894 2.417) 2.644 6.095 ( 0.125 -1.399 0.494) 1.489 6.369 ( 1.157 -0.066 0.547) 1.282 6.376 ( -0.414 -0.704 -0.043) 0.818 7.070 ( 1.698 0.551 1.373) 2.252 7.075 ( 1.036 0.097 1.289) 1.657 7.205 ( -1.123 0.673 -0.317) 1.347 7.229 ( -1.450 -1.562 -2.154) 3.030 7.640 ( -0.186 1.129 0.939) 1.480 7.659 ( -1.050 -0.819 -0.749) 1.528 7.962 ( 0.683 1.335 0.715) 1.662 7.983 ( -0.731 -0.833 -1.329) 1.730 11.069 ( -0.091 0.096 0.655) 0.668 11.071 ( 0.349 -0.156 0.405) 0.557 12.729 ( 0.013 -0.310 0.207) 0.373 12.737 ( 0.377 -1.151 -0.484) 1.304 15.976 ( 0.437 -0.288 0.033) 0.525 15.977 ( -0.409 -0.439 -0.084) 0.606 16.496 ( -1.233 1.346 0.918) 2.043 16.506 ( -0.414 0.458 0.184) 0.644 16.613 ( -0.291 0.751 -0.062) 0.808 16.634 ( 1.652 -1.177 -1.774) 2.694 17.006 ( -0.411 1.950 0.797) 2.146 17.025 ( 0.437 0.049 -0.837) 0.945 17.377 ( 0.055 2.288 1.646) 2.819 17.405 ( -0.375 -0.531 -0.923) 1.129 ======================= Grid point 154 (85/92) ======================= q-point: ( 0.11 0.43 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( 1.731 2.720 0.510) 3.264 0.993 ( 3.388 -0.343 -4.290) 5.478 1.072 ( -1.087 4.837 -4.934) 6.995 1.119 ( 0.958 0.282 4.877) 4.979 1.229 ( -2.251 -0.246 -0.602) 2.343 1.260 ( -1.679 -3.774 -0.069) 4.131 1.299 ( -1.859 3.296 0.908) 3.892 1.364 ( -1.505 -3.326 0.479) 3.682 1.596 ( 2.406 0.758 1.325) 2.849 1.629 ( 3.612 -2.347 -1.529) 4.571 1.942 ( -2.191 1.592 0.240) 2.719 1.960 ( -0.705 -0.275 0.682) 1.019 2.470 ( -0.148 3.020 -0.855) 3.143 2.503 ( 1.648 -0.108 -1.352) 2.134 2.778 ( 2.069 5.008 2.541) 5.984 2.843 ( 6.405 -1.467 -0.536) 6.593 3.011 ( 2.019 0.357 0.033) 2.051 3.055 ( 3.534 -3.921 1.095) 5.391 3.333 ( -4.557 5.374 -0.280) 7.052 3.415 ( -2.308 -1.170 3.824) 4.618 3.439 ( 1.642 -2.307 -3.038) 4.153 3.469 ( 5.630 -4.622 -1.228) 7.387 3.913 ( -6.506 3.163 0.113) 7.235 3.983 ( -7.394 -3.666 0.225) 8.256 4.007 ( 0.668 3.699 0.158) 3.762 4.092 ( 1.191 -4.434 -0.005) 4.592 4.718 ( -2.769 4.211 0.857) 5.112 4.758 ( -0.915 0.515 1.468) 1.805 5.066 ( -4.811 1.163 -0.835) 5.020 5.113 ( -3.681 -3.307 -1.095) 5.068 5.349 ( 5.792 1.844 0.953) 6.153 5.400 ( 7.031 -2.449 -0.802) 7.488 5.695 ( -0.968 -1.666 -0.659) 2.036 5.711 ( 0.051 -3.012 1.284) 3.274 6.033 ( -4.942 1.193 -0.909) 5.164 6.057 ( -3.866 -1.256 -0.610) 4.110 6.412 ( 4.376 1.053 -0.615) 4.543 6.440 ( 5.827 -1.704 -0.368) 6.082 7.035 ( -3.185 0.862 -1.387) 3.579 7.052 ( -3.084 -0.866 -1.880) 3.714 7.245 ( 4.110 1.120 1.264) 4.443 7.272 ( 4.700 -1.657 1.783) 5.293 7.612 ( -3.530 1.313 0.302) 3.778 7.634 ( -2.220 -0.993 1.420) 2.816 7.960 ( -0.117 2.195 -0.507) 2.256 7.997 ( 1.521 -1.574 0.675) 2.291 11.064 ( -0.771 0.380 -0.120) 0.868 11.072 ( -0.265 -0.465 -0.327) 0.627 12.723 ( -0.836 -0.400 0.005) 0.926 12.729 ( -0.511 -1.044 -0.553) 1.287 15.978 ( 0.695 0.430 -0.067) 0.820 15.993 ( 1.463 -1.107 0.039) 1.835 16.477 ( -1.825 1.215 1.003) 2.411 16.491 ( -1.763 -0.021 0.803) 1.937 16.637 ( 3.158 2.135 -0.325) 3.826 16.680 ( 4.832 -2.068 -0.976) 5.346 17.004 ( -0.883 1.714 0.804) 2.089 17.018 ( 0.029 0.242 -0.793) 0.829 17.394 ( 0.507 1.635 -0.569) 1.804 17.406 ( 1.099 0.461 0.885) 1.484 ======================= Grid point 155 (86/92) ======================= q-point: ( 0.22 0.43 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.910 ( -0.750 5.981 -6.215) 8.658 0.991 ( 2.546 -1.725 -4.591) 5.526 1.065 ( 1.355 4.652 -0.710) 4.898 1.157 ( -1.021 -2.605 -0.812) 2.914 1.188 ( -0.910 0.202 3.473) 3.596 1.229 ( -2.763 -3.026 2.782) 4.953 1.304 ( -1.583 1.489 1.904) 2.890 1.350 ( -2.943 -2.671 3.620) 5.376 1.629 ( 1.407 1.693 -1.207) 2.510 1.664 ( 3.250 -1.667 -2.646) 4.511 1.911 ( -0.329 3.483 -0.781) 3.585 1.974 ( 0.272 -2.814 1.265) 3.097 2.472 ( 2.486 4.650 -0.386) 5.287 2.530 ( 2.679 -1.209 -0.720) 3.026 2.828 ( 2.036 6.814 -1.474) 7.263 2.957 ( 7.484 -5.355 -1.923) 9.401 3.066 ( 2.995 1.067 1.840) 3.673 3.094 ( -0.688 -2.483 -0.131) 2.580 3.260 ( -2.017 5.677 1.373) 6.179 3.370 ( -4.076 -4.619 1.451) 6.329 3.520 ( 4.916 1.391 3.225) 6.041 3.582 ( 6.738 -4.728 1.314) 8.336 3.775 ( -9.055 2.103 -0.141) 9.297 3.831 ( -9.427 -3.807 -0.567) 10.183 4.019 ( 1.006 4.509 -0.394) 4.637 4.111 ( 1.101 -4.693 -0.477) 4.844 4.695 ( -1.353 5.192 1.452) 5.559 4.756 ( -1.538 -0.620 1.347) 2.137 4.998 ( -2.309 0.747 0.343) 2.451 5.038 ( -2.977 -3.093 -1.644) 4.597 5.431 ( 2.058 2.303 0.225) 3.097 5.482 ( 4.080 -1.831 -1.774) 4.811 5.679 ( -1.079 0.212 1.015) 1.496 5.750 ( 1.034 -5.666 2.974) 6.482 5.930 ( -4.188 2.518 -2.549) 5.511 5.971 ( -3.330 -1.607 -2.691) 4.573 6.484 ( 4.475 2.465 -0.208) 5.113 6.537 ( 5.906 -2.614 -0.416) 6.472 6.978 ( -2.281 -0.232 -1.381) 2.676 6.980 ( -1.818 -0.635 -0.706) 2.051 7.321 ( 3.392 2.328 -0.330) 4.127 7.366 ( 3.577 -2.162 1.274) 4.369 7.557 ( -3.342 2.469 0.898) 4.251 7.605 ( -3.070 -2.417 1.475) 4.176 7.958 ( 0.198 3.635 -0.091) 3.642 8.024 ( 0.372 -2.941 0.880) 3.092 11.044 ( -1.020 0.607 -0.545) 1.306 11.058 ( -0.538 -0.826 -0.827) 1.287 12.704 ( -1.048 -0.368 -0.181) 1.126 12.711 ( -1.083 -1.006 -0.098) 1.482 15.999 ( 1.538 0.968 0.173) 1.826 16.023 ( 1.881 -1.569 0.040) 2.450 16.463 ( -1.269 1.020 0.969) 1.894 16.474 ( -1.276 -0.054 0.863) 1.541 16.696 ( 3.712 2.797 -0.096) 4.649 16.755 ( 4.817 -3.195 -0.721) 5.825 17.000 ( -0.742 1.714 1.161) 2.199 17.014 ( 0.224 0.247 -0.040) 0.336 17.397 ( 1.255 3.291 -1.532) 3.841 17.433 ( 1.119 -0.203 -0.014) 1.137 ======================= Grid point 156 (87/92) ======================= q-point: ( 0.33 0.43 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.864 ( 0.732 6.025 -0.831) 6.126 0.973 ( 0.154 -4.536 -1.777) 4.874 1.078 ( 2.497 2.977 -1.894) 4.322 1.139 ( -0.491 -1.825 -1.297) 2.292 1.164 ( -2.617 -0.511 -0.340) 2.688 1.207 ( -3.894 -3.187 1.744) 5.325 1.329 ( 0.358 2.007 4.055) 4.539 1.366 ( -0.608 -1.805 4.524) 4.909 1.623 ( -0.164 2.520 -2.004) 3.223 1.668 ( 1.076 -2.017 -3.472) 4.157 1.906 ( 0.008 5.001 0.176) 5.004 1.980 ( -0.818 -2.326 0.447) 2.506 2.539 ( 3.288 2.147 1.782) 4.312 2.564 ( 2.772 -0.665 -2.239) 3.625 2.823 ( 2.731 9.475 -2.730) 10.231 2.995 ( 1.319 -7.213 -1.752) 7.539 3.117 ( 3.248 3.209 1.768) 4.896 3.172 ( 3.990 -2.097 3.950) 5.994 3.266 ( -1.371 2.084 2.324) 3.409 3.344 ( -2.549 -3.994 3.292) 5.769 3.544 ( -7.317 0.913 0.232) 7.378 3.590 ( -9.183 -3.392 0.703) 9.814 3.736 ( 5.585 1.175 1.542) 5.912 3.771 ( 5.581 -2.300 -0.257) 6.042 4.025 ( 0.508 4.229 -0.928) 4.359 4.109 ( -0.401 -4.193 -1.128) 4.360 4.684 ( -1.811 3.663 -0.353) 4.102 4.719 ( -2.728 -0.081 -1.569) 3.148 4.999 ( 0.501 0.332 1.110) 1.263 5.020 ( 0.857 -1.474 4.484) 4.797 5.431 ( -1.397 2.001 -0.518) 2.495 5.491 ( 0.713 -3.376 -3.284) 4.763 5.672 ( -1.105 2.422 0.639) 2.738 5.773 ( -1.155 -6.981 -0.346) 7.084 5.861 ( -0.620 3.368 -1.339) 3.678 5.907 ( -0.444 -1.335 -2.297) 2.693 6.549 ( 2.642 3.275 0.721) 4.269 6.616 ( 3.634 -3.281 -0.565) 4.929 6.948 ( -0.173 1.306 0.666) 1.477 6.979 ( 0.873 -1.702 1.619) 2.507 7.335 ( 0.199 3.718 -2.655) 4.573 7.403 ( 0.172 -2.943 -0.997) 3.112 7.535 ( -0.535 1.280 1.228) 1.853 7.574 ( -2.312 -2.430 1.476) 3.665 7.959 ( -0.118 3.516 0.076) 3.519 8.025 ( -0.987 -3.009 0.149) 3.171 11.023 ( -0.689 0.718 -0.418) 1.080 11.039 ( -0.408 -0.970 -0.868) 1.364 12.689 ( -0.597 -0.389 0.056) 0.715 12.695 ( -0.975 -0.934 0.335) 1.391 16.030 ( 1.551 0.966 0.447) 1.881 16.053 ( 1.524 -1.480 -0.003) 2.125 16.456 ( -0.827 0.950 0.908) 1.553 16.467 ( -0.752 -0.058 0.701) 1.030 16.750 ( 2.523 2.560 0.074) 3.595 16.810 ( 2.844 -3.659 -1.272) 4.805 17.011 ( -0.005 2.051 1.946) 2.827 17.030 ( 0.848 0.069 1.207) 1.477 17.396 ( 1.225 4.181 -2.322) 4.937 17.438 ( 0.590 0.047 -1.680) 1.781 ======================= Grid point 157 (88/92) ======================= q-point: ( 0.44 0.43 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.908 ( 1.673 2.451 3.336) 4.464 0.963 ( -0.528 -2.778 1.030) 3.010 1.067 ( 0.130 1.080 -3.749) 3.904 1.114 ( 0.472 -3.371 -4.205) 5.410 1.151 ( 0.931 1.267 1.635) 2.268 1.177 ( -1.813 -1.545 1.686) 2.919 1.376 ( 0.695 1.212 2.640) 2.987 1.405 ( 0.255 -1.686 1.467) 2.249 1.584 ( -1.774 2.297 -0.544) 2.953 1.629 ( -0.735 -2.270 -2.718) 3.617 1.915 ( 0.228 4.735 0.839) 4.814 1.961 ( -1.220 0.233 -0.521) 1.346 2.566 ( 0.143 -0.032 -0.816) 0.829 2.581 ( 1.471 -1.435 -1.837) 2.756 2.919 ( 7.582 7.921 2.813) 11.321 3.027 ( 2.140 -3.283 1.290) 4.126 3.166 ( -0.628 0.090 0.250) 0.682 3.213 ( -4.472 -3.878 0.146) 5.921 3.264 ( -1.128 6.626 4.757) 8.235 3.365 ( -0.652 -0.991 3.354) 3.557 3.422 ( -4.845 -1.241 0.245) 5.008 3.484 ( -0.110 -4.578 -2.012) 5.002 3.845 ( 2.770 1.005 2.091) 3.613 3.858 ( 3.103 -0.150 0.623) 3.169 4.023 ( 1.384 2.081 -1.473) 2.901 4.070 ( -1.928 -2.598 -1.923) 3.764 4.629 ( -2.503 1.462 -1.262) 3.161 4.647 ( -2.092 -0.375 -2.528) 3.303 5.068 ( 2.423 3.009 4.846) 6.198 5.111 ( 2.313 -0.908 4.703) 5.320 5.381 ( -2.245 1.821 -1.772) 3.390 5.444 ( -0.315 -3.866 -4.827) 6.193 5.666 ( -0.060 0.840 0.412) 0.938 5.728 ( -1.225 -4.890 -2.409) 5.587 5.861 ( 0.622 1.854 0.125) 1.959 5.890 ( 0.336 -0.826 -1.315) 1.589 6.586 ( 0.665 2.327 1.111) 2.663 6.638 ( 0.669 -2.826 -1.547) 3.291 6.988 ( 1.798 3.195 3.009) 4.743 7.036 ( 2.041 -1.169 2.451) 3.397 7.287 ( -1.224 2.880 -2.446) 3.971 7.354 ( -2.402 -3.322 -3.168) 5.181 7.555 ( 0.730 -0.455 1.000) 1.319 7.566 ( -0.873 -1.371 1.362) 2.120 7.959 ( 0.101 2.051 0.301) 2.075 7.999 ( -1.326 -1.922 -0.815) 2.473 11.013 ( -0.146 0.559 -0.066) 0.581 11.026 ( -0.105 -0.719 -0.756) 1.048 12.687 ( 0.137 -0.628 0.132) 0.657 12.687 ( -0.459 -0.660 0.423) 0.908 16.055 ( 0.691 0.528 0.552) 1.030 16.070 ( 0.528 -1.017 -0.162) 1.157 16.455 ( -0.515 0.875 0.883) 1.345 16.464 ( -0.284 0.020 0.371) 0.467 16.781 ( 0.802 1.430 0.505) 1.715 16.822 ( 0.764 -2.812 -1.654) 3.351 17.040 ( 0.131 2.295 2.380) 3.309 17.061 ( 0.732 0.036 1.296) 1.489 17.387 ( 0.716 3.849 -1.943) 4.370 17.416 ( -0.153 0.908 -2.525) 2.687 ======================= Grid point 158 (89/92) ======================= q-point: (-0.44 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.947 ( -1.102 1.287 2.395) 2.934 0.986 ( 0.235 -2.001 0.107) 2.018 1.045 ( 1.511 -0.687 -0.846) 1.863 1.063 ( -0.321 -1.623 -3.779) 4.126 1.167 ( -1.125 1.440 0.336) 1.858 1.186 ( 1.485 -0.499 0.688) 1.711 1.411 ( 0.973 -0.465 -0.954) 1.440 1.414 ( 1.971 -0.831 -0.630) 2.230 1.572 ( -1.063 1.841 2.098) 2.987 1.611 ( 1.535 -1.983 -0.733) 2.612 1.926 ( -1.071 3.437 0.996) 3.735 1.935 ( -0.430 2.274 0.066) 2.315 2.545 ( -1.767 1.151 0.005) 2.109 2.587 ( 1.963 -2.769 -1.542) 3.728 2.981 ( -8.357 4.999 -1.958) 9.932 3.034 ( -1.339 -0.030 0.802) 1.561 3.151 ( -0.018 -0.427 1.505) 1.565 3.190 ( 4.295 -3.857 1.702) 6.019 3.287 ( -2.974 4.516 3.462) 6.421 3.379 ( -0.396 1.692 0.945) 1.978 3.401 ( 2.075 -0.152 1.248) 2.426 3.518 ( 5.813 -5.970 -3.283) 8.956 3.851 ( -3.631 1.267 1.593) 4.162 3.874 ( -2.599 -1.025 0.071) 2.794 4.024 ( -0.102 1.160 -1.865) 2.199 4.048 ( 2.493 -1.195 -0.471) 2.805 4.601 ( -0.250 0.981 1.172) 1.549 4.617 ( 0.815 -0.673 -0.249) 1.086 5.124 ( -2.566 4.194 1.856) 5.255 5.164 ( 0.273 0.518 -0.035) 0.586 5.363 ( 1.540 -0.201 1.010) 1.853 5.400 ( 2.408 -3.690 -3.814) 5.828 5.681 ( 0.418 -1.709 0.920) 1.985 5.691 ( 0.137 -2.403 -1.300) 2.736 5.869 ( -0.350 1.163 -0.026) 1.214 5.882 ( 0.609 -0.263 -0.991) 1.192 6.604 ( -0.345 0.323 1.309) 1.392 6.619 ( -0.362 -1.170 -1.666) 2.068 7.042 ( -0.206 3.052 1.485) 3.401 7.053 ( -0.821 2.241 -1.427) 2.781 7.278 ( -0.913 -1.348 -0.655) 1.755 7.287 ( 0.972 -2.077 0.849) 2.445 7.561 ( -0.848 -0.138 0.630) 1.065 7.577 ( 0.654 -1.646 0.312) 1.799 7.971 ( -0.324 0.344 -0.429) 0.638 7.978 ( 1.103 -0.391 0.543) 1.290 11.014 ( 0.147 0.193 0.106) 0.265 11.019 ( 0.335 -0.303 -0.534) 0.699 12.687 ( 0.103 -0.259 0.109) 0.299 12.695 ( 0.775 -0.996 -0.218) 1.281 16.063 ( -0.602 -0.099 0.417) 0.739 16.066 ( -0.618 -0.445 -0.286) 0.814 16.458 ( -0.245 0.880 0.741) 1.176 16.466 ( 0.266 0.105 0.091) 0.300 16.788 ( -1.160 0.114 0.931) 1.492 16.805 ( -0.464 -1.609 -1.290) 2.113 17.060 ( -0.700 2.064 1.425) 2.604 17.075 ( 0.091 0.494 -0.157) 0.526 17.378 ( -0.791 2.695 -0.771) 2.913 17.385 ( 0.101 1.914 -0.827) 2.087 ======================= Grid point 159 (90/92) ======================= q-point: (-0.33 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( -2.920 3.795 -3.017) 5.659 0.969 ( -1.398 -2.382 -0.335) 2.782 1.042 ( -0.877 1.251 0.667) 1.667 1.094 ( 2.183 -3.425 1.673) 4.392 1.161 ( 1.548 2.597 0.261) 3.035 1.224 ( 2.600 -3.130 0.250) 4.076 1.418 ( 1.761 1.556 -3.835) 4.497 1.428 ( 1.753 -0.131 -1.416) 2.257 1.584 ( -0.561 1.982 1.921) 2.816 1.634 ( 0.920 -2.450 -0.527) 2.670 1.898 ( -2.521 5.350 0.986) 5.995 1.959 ( 0.490 -0.996 2.208) 2.472 2.522 ( -1.557 3.183 1.059) 3.698 2.599 ( 1.407 -4.401 -2.685) 5.344 2.792 ( -9.210 11.632 -0.731) 14.855 2.971 ( -4.620 -5.902 0.717) 7.529 3.131 ( -4.358 1.984 0.603) 4.827 3.221 ( -5.515 -6.824 0.263) 8.778 3.300 ( 1.957 5.019 -0.560) 5.416 3.374 ( 1.710 -2.391 -0.014) 2.939 3.522 ( 7.808 2.365 1.714) 8.336 3.611 ( 8.686 -5.901 -1.045) 10.553 3.781 ( -4.061 0.364 -1.041) 4.208 3.794 ( -4.267 -0.938 -2.165) 4.876 4.015 ( 0.106 3.496 -0.473) 3.529 4.079 ( 0.339 -3.036 1.194) 3.280 4.649 ( 2.201 1.227 3.096) 3.992 4.660 ( 2.464 -0.131 2.173) 3.288 5.057 ( -2.635 4.088 -2.818) 5.621 5.122 ( -1.614 -1.964 -3.673) 4.467 5.422 ( 1.649 -0.679 2.345) 2.946 5.432 ( 2.751 -1.794 -0.712) 3.360 5.682 ( 1.601 0.791 -0.500) 1.855 5.737 ( 3.127 -4.415 1.981) 5.762 5.853 ( -0.491 2.281 -0.547) 2.396 5.885 ( 0.130 -1.000 -0.006) 1.008 6.575 ( -2.584 0.860 -1.460) 3.090 6.600 ( -2.464 -1.549 0.740) 3.003 6.990 ( -1.249 2.415 -2.822) 3.919 7.023 ( -1.769 -0.383 -1.784) 2.542 7.276 ( 0.177 2.872 1.989) 3.498 7.350 ( 0.896 -4.130 3.286) 5.353 7.554 ( 0.178 1.421 -0.261) 1.455 7.592 ( 1.315 -2.343 0.003) 2.686 7.964 ( 0.144 2.645 -0.409) 2.680 8.016 ( 1.577 -2.477 0.962) 3.090 11.018 ( 0.410 0.297 -0.021) 0.507 11.026 ( 0.525 -0.477 0.181) 0.733 12.692 ( 0.604 0.040 -0.205) 0.639 12.706 ( 1.074 -1.272 -0.594) 1.767 16.040 ( -1.656 0.217 -0.421) 1.723 16.050 ( -1.500 -0.855 0.266) 1.747 16.464 ( 0.186 1.055 0.390) 1.140 16.475 ( 0.614 0.077 -0.014) 0.619 16.756 ( -2.638 0.694 -0.272) 2.741 16.784 ( -1.946 -2.195 0.543) 2.983 17.045 ( -1.252 1.998 -0.647) 2.444 17.063 ( -0.498 0.208 -1.287) 1.396 17.355 ( -1.202 4.299 0.760) 4.528 17.397 ( 0.215 0.076 1.536) 1.553 ======================= Grid point 160 (91/92) ======================= q-point: (-0.22 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( -1.439 6.551 -0.023) 6.707 0.938 ( -1.846 -2.459 0.542) 3.122 1.033 ( -1.104 4.143 1.673) 4.603 1.140 ( 1.381 -5.396 1.162) 5.690 1.223 ( 3.628 2.166 0.135) 4.227 1.274 ( 2.306 -2.290 -0.418) 3.277 1.380 ( 1.037 3.475 -5.091) 6.251 1.433 ( 2.283 -2.160 -3.496) 4.701 1.584 ( -2.320 2.223 2.512) 4.079 1.624 ( -1.322 -1.717 0.050) 2.167 1.874 ( -2.600 6.197 2.521) 7.178 1.979 ( -0.504 -4.368 0.799) 4.469 2.505 ( -3.062 5.208 -0.418) 6.056 2.531 ( -1.213 3.572 -3.860) 5.398 2.744 ( -1.351 5.055 5.301) 7.448 2.908 ( -5.863 -7.942 1.560) 9.994 3.070 ( -3.076 0.026 2.130) 3.742 3.103 ( -5.482 -4.284 -0.141) 6.959 3.302 ( 0.402 4.539 -2.534) 5.213 3.386 ( -0.038 -3.937 -1.156) 4.103 3.591 ( -2.359 1.147 -1.043) 2.823 3.639 ( -4.334 -3.418 -2.766) 6.174 3.786 ( 8.256 1.114 -1.081) 8.401 3.827 ( 10.773 -3.052 -0.746) 11.221 4.008 ( -0.825 3.843 0.371) 3.948 4.085 ( -1.517 -3.870 1.695) 4.489 4.701 ( 0.882 3.469 1.002) 3.717 4.737 ( 1.994 -0.429 2.991) 3.620 5.017 ( 1.496 2.128 -1.629) 3.069 5.069 ( 1.532 -2.659 -3.705) 4.811 5.440 ( -0.944 -0.799 -0.687) 1.415 5.443 ( -2.141 -0.894 1.436) 2.729 5.714 ( 2.251 2.128 -1.627) 3.499 5.801 ( 1.547 -5.907 -1.315) 6.246 5.871 ( 2.860 2.632 2.262) 4.497 5.909 ( 2.887 -1.063 2.339) 3.865 6.492 ( -5.195 1.656 -0.993) 5.542 6.532 ( -5.842 -2.103 0.029) 6.209 6.970 ( 1.449 0.913 -0.835) 1.905 6.990 ( 0.553 -1.057 -1.261) 1.736 7.292 ( -1.746 3.474 1.991) 4.368 7.363 ( -2.538 -3.714 1.314) 4.686 7.572 ( 2.313 2.831 -0.278) 3.666 7.626 ( 2.645 -2.716 -0.185) 3.796 7.960 ( -0.323 4.161 -0.227) 4.179 8.039 ( 0.323 -3.696 -0.226) 3.717 11.031 ( 0.717 0.313 0.535) 0.948 11.039 ( 0.496 -0.558 0.635) 0.980 12.703 ( 0.954 0.058 -0.157) 0.968 12.717 ( 1.092 -1.308 -0.538) 1.787 16.005 ( -1.731 0.556 -0.374) 1.856 16.023 ( -1.891 -1.281 0.104) 2.287 16.474 ( 0.673 1.211 0.132) 1.392 16.486 ( 0.894 0.099 -0.137) 0.910 16.701 ( -3.363 1.530 -0.452) 3.722 16.742 ( -3.651 -2.770 0.232) 4.589 17.017 ( -0.970 2.003 -0.601) 2.306 17.037 ( -0.138 -0.084 -1.645) 1.653 17.355 ( -0.980 4.969 1.981) 5.438 17.418 ( 0.113 -1.467 1.216) 1.909 ======================= Grid point 161 (92/92) ======================= q-point: (-0.11 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.849 ( -0.593 6.296 4.304) 7.650 0.928 ( -0.756 -0.559 1.813) 2.042 1.054 ( 0.478 4.985 1.922) 5.364 1.170 ( 1.318 -4.230 0.487) 4.458 1.238 ( -0.067 0.416 -2.731) 2.764 1.257 ( -0.825 -0.365 -2.203) 2.381 1.368 ( 2.439 2.951 -3.352) 5.088 1.427 ( 1.351 -2.901 -3.488) 4.733 1.584 ( -1.829 0.977 2.489) 3.240 1.607 ( -0.493 -1.599 -0.012) 1.673 1.882 ( -0.547 4.826 4.487) 6.612 1.971 ( -0.426 -4.357 0.282) 4.387 2.432 ( -2.156 8.420 -0.412) 8.702 2.519 ( 0.682 0.547 -0.670) 1.102 2.764 ( -3.252 0.433 2.636) 4.209 2.804 ( -6.376 -4.015 2.249) 7.863 3.036 ( -2.108 1.138 -0.191) 2.403 3.090 ( -0.690 -4.471 0.055) 4.525 3.281 ( 0.137 4.466 0.912) 4.560 3.372 ( -0.789 -4.176 1.419) 4.481 3.520 ( -1.770 -0.978 -3.605) 4.134 3.541 ( -0.520 -2.215 -5.684) 6.122 3.915 ( 5.674 3.390 0.201) 6.612 3.986 ( 6.972 -3.883 0.033) 7.981 4.001 ( -0.146 3.494 0.479) 3.529 4.076 ( -1.258 -4.015 1.284) 4.399 4.715 ( 0.312 4.964 0.756) 5.030 4.775 ( 0.082 -0.990 0.655) 1.190 5.059 ( 4.494 1.422 -0.271) 4.721 5.104 ( 4.729 -2.715 -0.648) 5.492 5.379 ( -4.740 -0.377 -1.445) 4.969 5.388 ( -4.909 -1.070 -0.165) 5.027 5.709 ( 0.562 1.131 -2.046) 2.405 5.771 ( -0.406 -4.433 -3.351) 5.571 5.981 ( 4.974 2.048 3.413) 6.371 6.022 ( 5.327 -2.252 2.481) 6.293 6.400 ( -4.653 1.243 0.319) 4.826 6.431 ( -5.604 -1.710 0.368) 5.871 7.012 ( 2.767 0.016 0.892) 2.908 7.014 ( 2.816 -0.410 0.711) 2.933 7.259 ( -3.320 2.311 0.096) 4.046 7.306 ( -4.076 -2.333 -0.928) 4.787 7.614 ( 2.267 2.663 0.148) 3.500 7.662 ( 1.742 -2.225 -0.771) 2.930 7.952 ( -0.270 3.662 0.158) 3.676 8.020 ( -1.234 -3.139 -1.291) 3.612 11.052 ( 0.741 0.119 0.903) 1.174 11.057 ( 0.426 -0.294 0.898) 1.036 12.719 ( 0.833 -0.148 0.087) 0.850 12.730 ( 0.910 -1.211 -0.317) 1.547 15.979 ( -0.823 0.387 -0.137) 0.920 15.994 ( -1.445 -1.143 -0.002) 1.842 16.489 ( 0.816 1.335 0.167) 1.574 16.501 ( 0.863 0.259 -0.077) 0.904 16.641 ( -2.606 1.305 -0.564) 2.969 16.674 ( -3.586 -2.032 -0.711) 4.182 17.004 ( -0.378 2.060 0.362) 2.126 17.026 ( 0.526 -0.134 -1.049) 1.181 17.363 ( -0.693 4.078 1.856) 4.534 17.422 ( -0.443 -1.804 -0.217) 1.870 =================== 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 3/18900 10.0 47.461 51.086 57.175 0.000 -1.914 0.000 3/18900 20.0 11.356 12.270 15.184 0.000 -0.250 0.000 3/18900 30.0 5.526 5.999 7.456 0.000 -0.114 0.000 3/18900 40.0 3.492 3.796 4.682 0.000 -0.066 0.000 3/18900 50.0 2.531 2.746 3.359 0.000 -0.044 0.000 3/18900 60.0 1.987 2.151 2.610 0.000 -0.032 0.000 3/18900 70.0 1.641 1.771 2.136 0.000 -0.024 0.000 3/18900 80.0 1.402 1.509 1.810 0.000 -0.019 0.000 3/18900 90.0 1.227 1.318 1.574 0.000 -0.015 0.000 3/18900 100.0 1.093 1.171 1.394 0.000 -0.012 0.000 3/18900 110.0 0.987 1.055 1.253 0.000 -0.010 0.000 3/18900 120.0 0.901 0.962 1.139 0.000 -0.009 0.000 3/18900 130.0 0.830 0.884 1.045 0.000 -0.007 0.000 3/18900 140.0 0.770 0.819 0.967 0.000 -0.006 0.000 3/18900 150.0 0.718 0.763 0.900 0.000 -0.006 0.000 3/18900 160.0 0.673 0.715 0.842 0.000 -0.005 0.000 3/18900 170.0 0.634 0.673 0.791 0.000 -0.004 0.000 3/18900 180.0 0.600 0.635 0.747 0.000 -0.004 0.000 3/18900 190.0 0.569 0.602 0.708 0.000 -0.004 0.000 3/18900 200.0 0.541 0.573 0.672 0.000 -0.003 0.000 3/18900 210.0 0.517 0.546 0.641 0.000 -0.003 0.000 3/18900 220.0 0.494 0.522 0.612 0.000 -0.003 0.000 3/18900 230.0 0.473 0.500 0.586 0.000 -0.003 0.000 3/18900 240.0 0.454 0.480 0.562 0.000 -0.003 0.000 3/18900 250.0 0.437 0.461 0.540 0.000 -0.002 0.000 3/18900 260.0 0.421 0.444 0.520 0.000 -0.002 0.000 3/18900 270.0 0.406 0.428 0.501 0.000 -0.002 0.000 3/18900 280.0 0.392 0.413 0.483 0.000 -0.002 0.000 3/18900 290.0 0.379 0.400 0.467 0.000 -0.002 0.000 3/18900 300.0 0.367 0.387 0.452 0.000 -0.002 0.000 3/18900 310.0 0.356 0.375 0.438 0.000 -0.002 0.000 3/18900 320.0 0.345 0.363 0.425 0.000 -0.002 0.000 3/18900 330.0 0.335 0.353 0.412 0.000 -0.002 0.000 3/18900 340.0 0.326 0.343 0.400 0.000 -0.002 0.000 3/18900 350.0 0.317 0.333 0.389 0.000 -0.002 0.000 3/18900 360.0 0.308 0.324 0.379 0.000 -0.002 0.000 3/18900 370.0 0.300 0.316 0.369 0.000 -0.002 0.000 3/18900 380.0 0.293 0.308 0.360 0.000 -0.002 0.000 3/18900 390.0 0.286 0.300 0.351 0.000 -0.002 0.000 3/18900 400.0 0.279 0.293 0.342 0.000 -0.002 0.000 3/18900 410.0 0.272 0.286 0.334 0.000 -0.001 0.000 3/18900 420.0 0.266 0.280 0.326 0.000 -0.001 0.000 3/18900 430.0 0.260 0.273 0.319 0.000 -0.001 0.000 3/18900 440.0 0.254 0.267 0.312 0.000 -0.001 0.000 3/18900 450.0 0.249 0.261 0.305 0.000 -0.001 0.000 3/18900 460.0 0.244 0.256 0.299 0.000 -0.001 0.000 3/18900 470.0 0.239 0.251 0.292 0.000 -0.001 0.000 3/18900 480.0 0.234 0.246 0.286 0.000 -0.001 0.000 3/18900 490.0 0.229 0.241 0.281 0.000 -0.001 0.000 3/18900 500.0 0.225 0.236 0.275 0.000 -0.001 0.000 3/18900 510.0 0.221 0.232 0.270 0.000 -0.001 0.000 3/18900 520.0 0.216 0.227 0.265 0.000 -0.001 0.000 3/18900 530.0 0.212 0.223 0.260 0.000 -0.001 0.000 3/18900 540.0 0.209 0.219 0.255 0.000 -0.001 0.000 3/18900 550.0 0.205 0.215 0.251 0.000 -0.001 0.000 3/18900 560.0 0.201 0.211 0.246 0.000 -0.001 0.000 3/18900 570.0 0.198 0.208 0.242 0.000 -0.001 0.000 3/18900 580.0 0.195 0.204 0.238 0.000 -0.001 0.000 3/18900 590.0 0.191 0.201 0.234 0.000 -0.001 0.000 3/18900 600.0 0.188 0.198 0.230 0.000 -0.001 0.000 3/18900 610.0 0.185 0.194 0.227 0.000 -0.001 0.000 3/18900 620.0 0.182 0.191 0.223 0.000 -0.001 0.000 3/18900 630.0 0.180 0.188 0.219 0.000 -0.001 0.000 3/18900 640.0 0.177 0.185 0.216 0.000 -0.001 0.000 3/18900 650.0 0.174 0.183 0.213 0.000 -0.001 0.000 3/18900 660.0 0.172 0.180 0.210 0.000 -0.001 0.000 3/18900 670.0 0.169 0.177 0.207 0.000 -0.001 0.000 3/18900 680.0 0.167 0.175 0.204 0.000 -0.001 0.000 3/18900 690.0 0.164 0.172 0.201 0.000 -0.001 0.000 3/18900 700.0 0.162 0.170 0.198 0.000 -0.001 0.000 3/18900 710.0 0.160 0.168 0.195 0.000 -0.001 0.000 3/18900 720.0 0.158 0.165 0.192 0.000 -0.001 0.000 3/18900 730.0 0.155 0.163 0.190 0.000 -0.001 0.000 3/18900 740.0 0.153 0.161 0.187 0.000 -0.001 0.000 3/18900 750.0 0.151 0.159 0.185 0.000 -0.001 0.000 3/18900 760.0 0.149 0.157 0.182 0.000 -0.001 0.000 3/18900 770.0 0.147 0.155 0.180 0.000 -0.001 0.000 3/18900 780.0 0.146 0.153 0.178 0.000 -0.001 0.000 3/18900 790.0 0.144 0.151 0.176 0.000 -0.001 0.000 3/18900 800.0 0.142 0.149 0.173 0.000 -0.001 0.000 3/18900 810.0 0.140 0.147 0.171 0.000 -0.001 0.000 3/18900 820.0 0.139 0.145 0.169 0.000 -0.001 0.000 3/18900 830.0 0.137 0.144 0.167 0.000 -0.001 0.000 3/18900 840.0 0.135 0.142 0.165 0.000 -0.001 0.000 3/18900 850.0 0.134 0.140 0.163 0.000 -0.001 0.000 3/18900 860.0 0.132 0.139 0.161 0.000 -0.001 0.000 3/18900 870.0 0.131 0.137 0.160 0.000 -0.001 0.000 3/18900 880.0 0.129 0.136 0.158 0.000 -0.001 0.000 3/18900 890.0 0.128 0.134 0.156 0.000 -0.001 0.000 3/18900 900.0 0.127 0.133 0.154 0.000 -0.001 0.000 3/18900 910.0 0.125 0.131 0.153 0.000 -0.001 0.000 3/18900 920.0 0.124 0.130 0.151 0.000 -0.001 0.000 3/18900 930.0 0.122 0.128 0.149 0.000 -0.001 0.000 3/18900 940.0 0.121 0.127 0.148 0.000 -0.001 0.000 3/18900 950.0 0.120 0.126 0.146 0.000 -0.001 0.000 3/18900 960.0 0.119 0.124 0.145 0.000 -0.001 0.000 3/18900 970.0 0.118 0.123 0.143 0.000 -0.001 0.000 3/18900 980.0 0.116 0.122 0.142 0.000 -0.001 0.000 3/18900 990.0 0.115 0.121 0.140 0.000 -0.001 0.000 3/18900 1000.0 0.114 0.120 0.139 0.000 -0.001 0.000 3/18900 Thermal conductivity related properties were written into "kappa-m975.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:53:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|