----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 13:06:48]------------------------- Compiled with OpenMP support (max 48 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: Pna2_1 (33) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.967692110000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.637905650000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.291689529999999 Atomic positions (fractional): *1 In 0.49804419325539 0.50050900568072 0.51580833450359 114.818 2 In 0.50195580674461 0.49949099431928 0.01580833450359 114.818 3 In 0.00195580674461 0.00050900568072 0.01580833450359 114.818 4 In 0.99804419325539 0.99949099431928 0.51580833450359 114.818 *5 Bi 0.94110641430717 0.50126422580413 0.78973713463207 208.980 6 Bi 0.44110641430717 0.99873577419587 0.78973713463207 208.980 7 Bi 0.55889358569283 0.00126422580413 0.28973713463208 208.980 8 Bi 0.05889358569283 0.49873577419587 0.28973713463208 208.980 *9 O 0.78977599509680 0.30157604259681 0.43515587257715 15.999 *10 O 0.44887471951271 0.61561154221474 0.25840280112877 15.999 11 O 0.55112528048729 0.38438845778526 0.75840280112877 15.999 *12 O 0.16003438720191 0.65828240224014 0.53059585715842 15.999 13 O 0.33996561279809 0.15828240224014 0.03059585715842 15.999 14 O 0.66003438720191 0.84171759775986 0.53059585715842 15.999 15 O 0.83996561279809 0.34171759775986 0.03059585715842 15.999 16 O 0.05112528048729 0.11561154221474 0.75840280112877 15.999 17 O 0.21022400490320 0.69842395740319 0.93515587257715 15.999 18 O 0.28977599509680 0.19842395740319 0.43515587257715 15.999 19 O 0.94887471951271 0.88438845778526 0.25840280112877 15.999 20 O 0.71022400490320 0.80157604259681 0.93515587257715 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.967692110000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.637905650000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.291689529999999 Atomic positions (fractional): *1 In 0.49804419325539 0.50050900568072 0.51580833450359 114.818 > 1 2 In 0.50195580674461 0.49949099431928 0.01580833450359 114.818 > 2 3 In 0.00195580674461 0.00050900568072 0.01580833450359 114.818 > 3 4 In 0.99804419325539 0.99949099431928 0.51580833450359 114.818 > 4 *5 Bi 0.94110641430717 0.50126422580413 0.78973713463207 208.980 > 5 6 Bi 0.44110641430717 0.99873577419587 0.78973713463207 208.980 > 6 7 Bi 0.55889358569283 0.00126422580413 0.28973713463208 208.980 > 7 8 Bi 0.05889358569283 0.49873577419587 0.28973713463208 208.980 > 8 *9 O 0.78977599509680 0.30157604259681 0.43515587257715 15.999 > 9 *10 O 0.44887471951271 0.61561154221474 0.25840280112877 15.999 > 10 11 O 0.55112528048729 0.38438845778526 0.75840280112877 15.999 > 11 *12 O 0.16003438720191 0.65828240224014 0.53059585715842 15.999 > 12 13 O 0.33996561279809 0.15828240224014 0.03059585715842 15.999 > 13 14 O 0.66003438720191 0.84171759775986 0.53059585715842 15.999 > 14 15 O 0.83996561279809 0.34171759775986 0.03059585715842 15.999 > 15 16 O 0.05112528048729 0.11561154221474 0.75840280112877 15.999 > 16 17 O 0.21022400490320 0.69842395740319 0.93515587257715 15.999 > 17 18 O 0.28977599509680 0.19842395740319 0.43515587257715 15.999 > 18 19 O 0.94887471951271 0.88438845778526 0.25840280112877 15.999 > 19 20 O 0.71022400490320 0.80157604259681 0.93515587257715 15.999 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.935384220000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.275811300000001 0.000000000000000 c 0.000000000000000 0.000000000000000 8.291689529999999 Atomic positions (fractional): *1 In 0.24902209662770 0.25025450284036 0.51580833450359 114.818 > 1 2 In 0.74902209662770 0.25025450284036 0.51580833450359 114.818 > 1 3 In 0.24902209662770 0.75025450284036 0.51580833450359 114.818 > 1 4 In 0.74902209662770 0.75025450284036 0.51580833450359 114.818 > 1 5 In 0.25097790337230 0.24974549715964 0.01580833450359 114.818 > 2 6 In 0.75097790337230 0.24974549715964 0.01580833450359 114.818 > 2 7 In 0.25097790337230 0.74974549715964 0.01580833450359 114.818 > 2 8 In 0.75097790337230 0.74974549715964 0.01580833450359 114.818 > 2 9 In 0.00097790337230 0.00025450284036 0.01580833450359 114.818 > 3 10 In 0.50097790337230 0.00025450284036 0.01580833450359 114.818 > 3 11 In 0.00097790337230 0.50025450284036 0.01580833450359 114.818 > 3 12 In 0.50097790337230 0.50025450284036 0.01580833450359 114.818 > 3 13 In 0.49902209662770 0.49974549715964 0.51580833450359 114.818 > 4 14 In 0.99902209662770 0.49974549715964 0.51580833450359 114.818 > 4 15 In 0.49902209662770 0.99974549715964 0.51580833450359 114.818 > 4 16 In 0.99902209662770 0.99974549715964 0.51580833450359 114.818 > 4 *17 Bi 0.47055320715359 0.25063211290207 0.78973713463207 208.980 > 5 18 Bi 0.97055320715358 0.25063211290207 0.78973713463207 208.980 > 5 19 Bi 0.47055320715359 0.75063211290207 0.78973713463207 208.980 > 5 20 Bi 0.97055320715358 0.75063211290207 0.78973713463207 208.980 > 5 21 Bi 0.22055320715359 0.49936788709793 0.78973713463207 208.980 > 6 22 Bi 0.72055320715358 0.49936788709793 0.78973713463207 208.980 > 6 23 Bi 0.22055320715359 0.99936788709793 0.78973713463207 208.980 > 6 24 Bi 0.72055320715358 0.99936788709793 0.78973713463207 208.980 > 6 25 Bi 0.27944679284641 0.00063211290207 0.28973713463208 208.980 > 7 26 Bi 0.77944679284642 0.00063211290207 0.28973713463208 208.980 > 7 27 Bi 0.27944679284641 0.50063211290207 0.28973713463208 208.980 > 7 28 Bi 0.77944679284642 0.50063211290207 0.28973713463208 208.980 > 7 29 Bi 0.02944679284642 0.24936788709793 0.28973713463208 208.980 > 8 30 Bi 0.52944679284642 0.24936788709793 0.28973713463208 208.980 > 8 31 Bi 0.02944679284642 0.74936788709793 0.28973713463208 208.980 > 8 32 Bi 0.52944679284642 0.74936788709793 0.28973713463208 208.980 > 8 *33 O 0.39488799754840 0.15078802129840 0.43515587257715 15.999 > 9 34 O 0.89488799754840 0.15078802129840 0.43515587257715 15.999 > 9 35 O 0.39488799754840 0.65078802129840 0.43515587257715 15.999 > 9 36 O 0.89488799754840 0.65078802129840 0.43515587257715 15.999 > 9 *37 O 0.22443735975635 0.30780577110737 0.25840280112877 15.999 > 10 38 O 0.72443735975635 0.30780577110737 0.25840280112877 15.999 > 10 39 O 0.22443735975635 0.80780577110737 0.25840280112877 15.999 > 10 40 O 0.72443735975635 0.80780577110737 0.25840280112877 15.999 > 10 41 O 0.27556264024365 0.19219422889263 0.75840280112877 15.999 > 11 42 O 0.77556264024365 0.19219422889263 0.75840280112877 15.999 > 11 43 O 0.27556264024365 0.69219422889263 0.75840280112877 15.999 > 11 44 O 0.77556264024365 0.69219422889263 0.75840280112877 15.999 > 11 *45 O 0.08001719360096 0.32914120112007 0.53059585715842 15.999 > 12 46 O 0.58001719360096 0.32914120112007 0.53059585715842 15.999 > 12 47 O 0.08001719360096 0.82914120112007 0.53059585715842 15.999 > 12 48 O 0.58001719360096 0.82914120112007 0.53059585715842 15.999 > 12 49 O 0.16998280639904 0.07914120112007 0.03059585715842 15.999 > 13 50 O 0.66998280639904 0.07914120112007 0.03059585715842 15.999 > 13 51 O 0.16998280639904 0.57914120112007 0.03059585715842 15.999 > 13 52 O 0.66998280639904 0.57914120112007 0.03059585715842 15.999 > 13 53 O 0.33001719360096 0.42085879887993 0.53059585715842 15.999 > 14 54 O 0.83001719360096 0.42085879887993 0.53059585715842 15.999 > 14 55 O 0.33001719360096 0.92085879887993 0.53059585715842 15.999 > 14 56 O 0.83001719360096 0.92085879887993 0.53059585715842 15.999 > 14 57 O 0.41998280639904 0.17085879887993 0.03059585715842 15.999 > 15 58 O 0.91998280639904 0.17085879887993 0.03059585715842 15.999 > 15 59 O 0.41998280639904 0.67085879887993 0.03059585715842 15.999 > 15 60 O 0.91998280639904 0.67085879887993 0.03059585715842 15.999 > 15 61 O 0.02556264024365 0.05780577110737 0.75840280112877 15.999 > 16 62 O 0.52556264024365 0.05780577110737 0.75840280112877 15.999 > 16 63 O 0.02556264024365 0.55780577110737 0.75840280112877 15.999 > 16 64 O 0.52556264024365 0.55780577110737 0.75840280112877 15.999 > 16 65 O 0.10511200245160 0.34921197870160 0.93515587257715 15.999 > 17 66 O 0.60511200245160 0.34921197870160 0.93515587257715 15.999 > 17 67 O 0.10511200245160 0.84921197870160 0.93515587257715 15.999 > 17 68 O 0.60511200245160 0.84921197870160 0.93515587257715 15.999 > 17 69 O 0.14488799754840 0.09921197870160 0.43515587257715 15.999 > 18 70 O 0.64488799754840 0.09921197870160 0.43515587257715 15.999 > 18 71 O 0.14488799754840 0.59921197870160 0.43515587257715 15.999 > 18 72 O 0.64488799754840 0.59921197870160 0.43515587257715 15.999 > 18 73 O 0.47443735975635 0.44219422889263 0.25840280112877 15.999 > 19 74 O 0.97443735975635 0.44219422889263 0.25840280112877 15.999 > 19 75 O 0.47443735975635 0.94219422889263 0.25840280112877 15.999 > 19 76 O 0.97443735975635 0.94219422889263 0.25840280112877 15.999 > 19 77 O 0.35511200245160 0.40078802129840 0.93515587257715 15.999 > 20 78 O 0.85511200245160 0.40078802129840 0.93515587257715 15.999 > 20 79 O 0.35511200245160 0.90078802129840 0.93515587257715 15.999 > 20 80 O 0.85511200245160 0.90078802129840 0.93515587257715 15.999 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.2215356 0.0000000 0.0000000 0.0000000 6.3753637 0.0000000 0.0000000 0.0000000 6.0736663 -------------------------- Born effective charges -------------------------- 1 In 3.4591915 -0.3456183 0.2077885 -0.0961218 3.4340474 -0.1670933 0.1633520 -0.0832060 3.3544620 2 In 3.4591915 -0.3456183 -0.2077885 -0.0961218 3.4340474 0.1670933 -0.1633520 0.0832060 3.3544620 3 In 3.4591915 0.3456183 -0.2077885 0.0961218 3.4340474 -0.1670933 -0.1633520 -0.0832060 3.3544620 4 In 3.4591915 0.3456183 0.2077885 0.0961218 3.4340474 0.1670933 0.1633520 0.0832060 3.3544620 5 Bi 4.6788091 -0.1453483 -0.3603476 0.6069150 4.8194980 0.5671256 -0.4679190 0.0857939 4.4152482 6 Bi 4.6788091 0.1453483 -0.3603476 -0.6069150 4.8194980 -0.5671256 -0.4679190 -0.0857939 4.4152482 7 Bi 4.6788091 0.1453483 0.3603476 -0.6069150 4.8194980 0.5671256 0.4679190 0.0857939 4.4152482 8 Bi 4.6788091 -0.1453483 0.3603476 0.6069150 4.8194980 -0.5671256 0.4679190 -0.0857939 4.4152482 9 O -3.1570573 -0.6598214 0.3011518 -0.7489384 -2.8696472 -0.1015376 0.2153741 -0.0716346 -2.0331456 10 O -2.6353673 -1.0473552 -0.0042092 -0.9219568 -3.0402642 -0.1979695 0.1842749 -0.3983711 -2.3668631 11 O -2.6353673 -1.0473552 0.0042092 -0.9219568 -3.0402642 0.1979695 -0.1842749 0.3983711 -2.3668631 12 O -2.3455760 0.1844416 -0.0312156 0.0113905 -2.3436340 -0.3551937 0.0521928 -0.4114052 -3.3697016 13 O -2.3455760 -0.1844416 0.0312156 -0.0113905 -2.3436340 -0.3551937 -0.0521928 -0.4114052 -3.3697016 14 O -2.3455760 -0.1844416 -0.0312156 -0.0113905 -2.3436340 0.3551937 0.0521928 0.4114052 -3.3697016 15 O -2.3455760 0.1844416 0.0312156 0.0113905 -2.3436340 0.3551937 -0.0521928 0.4114052 -3.3697016 16 O -2.6353673 1.0473552 0.0042092 0.9219568 -3.0402642 -0.1979695 -0.1842749 -0.3983711 -2.3668631 17 O -3.1570573 -0.6598214 -0.3011518 -0.7489384 -2.8696472 0.1015376 -0.2153741 0.0716346 -2.0331456 18 O -3.1570573 0.6598214 0.3011518 0.7489384 -2.8696472 0.1015376 0.2153741 0.0716346 -2.0331456 19 O -2.6353673 1.0473552 -0.0042092 0.9219568 -3.0402642 0.1979695 0.1842749 0.3983711 -2.3668631 20 O -3.1570573 0.6598214 -0.3011518 0.7489384 -2.8696472 -0.1015376 -0.2153741 -0.0716346 -2.0331456 ---------------------------------------------------------------------------- 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: 1860 Number of blocks in projector: 1860 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: 220 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 220 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 220 Use standard eigh solver. Tree of FC basis block matrices: - (1860, 1815), data: False |-- (220, 215), data: True |-- (220, 215), data: True |-- (220, 215), data: True |-- (400, 390), data: True |-- (400, 390), data: True |-- (400, 390), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.001 Solver_block: 100 / 640 - Time: 0.304 Solver_block: 200 / 640 - Time: 0.274 Solver_block: 300 / 640 - Time: 0.271 Solver_block: 400 / 640 - Time: 0.270 Solver_block: 500 / 640 - Time: 0.271 Solver_block: 600 / 640 - Time: 0.274 Solver_block: 640 / 640 - Time: 0.143 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.847 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) 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: 1860 Number of blocks in projector: 1860 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: 220 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 220 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 220 Use standard eigh solver. Tree of FC basis block matrices: - (1860, 1815), data: False |-- (220, 215), data: True |-- (220, 215), data: True |-- (220, 215), data: True |-- (400, 390), data: True |-- (400, 390), data: True |-- (400, 390), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) 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 13:07:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 13:07:07]------------------------- Compiled with OpenMP support (max 48 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: Pna2_1 (33) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.967692110000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.637905650000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.291689529999999 Atomic positions (fractional): 1 In 0.49804419325539 0.50050900568072 0.51580833450359 114.818 2 In 0.50195580674461 0.49949099431928 0.01580833450359 114.818 3 In 0.00195580674461 0.00050900568072 0.01580833450359 114.818 4 In 0.99804419325539 0.99949099431928 0.51580833450359 114.818 5 Bi 0.94110641430717 0.50126422580413 0.78973713463207 208.980 6 Bi 0.44110641430717 0.99873577419587 0.78973713463207 208.980 7 Bi 0.55889358569283 0.00126422580413 0.28973713463208 208.980 8 Bi 0.05889358569283 0.49873577419587 0.28973713463208 208.980 9 O 0.78977599509680 0.30157604259681 0.43515587257715 15.999 10 O 0.44887471951271 0.61561154221474 0.25840280112877 15.999 11 O 0.55112528048729 0.38438845778526 0.75840280112877 15.999 12 O 0.16003438720191 0.65828240224014 0.53059585715842 15.999 13 O 0.33996561279809 0.15828240224014 0.03059585715842 15.999 14 O 0.66003438720191 0.84171759775986 0.53059585715842 15.999 15 O 0.83996561279809 0.34171759775986 0.03059585715842 15.999 16 O 0.05112528048729 0.11561154221474 0.75840280112877 15.999 17 O 0.21022400490320 0.69842395740319 0.93515587257715 15.999 18 O 0.28977599509680 0.19842395740319 0.43515587257715 15.999 19 O 0.94887471951271 0.88438845778526 0.25840280112877 15.999 20 O 0.71022400490320 0.80157604259681 0.93515587257715 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.935384220000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.275811300000001 0.000000000000000 c 0.000000000000000 0.000000000000000 8.291689529999999 Atomic positions (fractional): 1 In 0.24902209662770 0.25025450284036 0.51580833450359 114.818 > 1 2 In 0.74902209662770 0.25025450284036 0.51580833450359 114.818 > 1 3 In 0.24902209662770 0.75025450284036 0.51580833450359 114.818 > 1 4 In 0.74902209662770 0.75025450284036 0.51580833450359 114.818 > 1 5 In 0.25097790337230 0.24974549715964 0.01580833450359 114.818 > 5 6 In 0.75097790337230 0.24974549715964 0.01580833450359 114.818 > 5 7 In 0.25097790337230 0.74974549715964 0.01580833450359 114.818 > 5 8 In 0.75097790337230 0.74974549715964 0.01580833450359 114.818 > 5 9 In 0.00097790337230 0.00025450284036 0.01580833450359 114.818 > 9 10 In 0.50097790337230 0.00025450284036 0.01580833450359 114.818 > 9 11 In 0.00097790337230 0.50025450284036 0.01580833450359 114.818 > 9 12 In 0.50097790337230 0.50025450284036 0.01580833450359 114.818 > 9 13 In 0.49902209662770 0.49974549715964 0.51580833450359 114.818 > 13 14 In 0.99902209662770 0.49974549715964 0.51580833450359 114.818 > 13 15 In 0.49902209662770 0.99974549715964 0.51580833450359 114.818 > 13 16 In 0.99902209662770 0.99974549715964 0.51580833450359 114.818 > 13 17 Bi 0.47055320715359 0.25063211290207 0.78973713463207 208.980 > 17 18 Bi 0.97055320715358 0.25063211290207 0.78973713463207 208.980 > 17 19 Bi 0.47055320715359 0.75063211290207 0.78973713463207 208.980 > 17 20 Bi 0.97055320715358 0.75063211290207 0.78973713463207 208.980 > 17 21 Bi 0.22055320715359 0.49936788709793 0.78973713463207 208.980 > 21 22 Bi 0.72055320715358 0.49936788709793 0.78973713463207 208.980 > 21 23 Bi 0.22055320715359 0.99936788709793 0.78973713463207 208.980 > 21 24 Bi 0.72055320715358 0.99936788709793 0.78973713463207 208.980 > 21 25 Bi 0.27944679284641 0.00063211290207 0.28973713463208 208.980 > 25 26 Bi 0.77944679284642 0.00063211290207 0.28973713463208 208.980 > 25 27 Bi 0.27944679284641 0.50063211290207 0.28973713463208 208.980 > 25 28 Bi 0.77944679284642 0.50063211290207 0.28973713463208 208.980 > 25 29 Bi 0.02944679284642 0.24936788709793 0.28973713463208 208.980 > 29 30 Bi 0.52944679284642 0.24936788709793 0.28973713463208 208.980 > 29 31 Bi 0.02944679284642 0.74936788709793 0.28973713463208 208.980 > 29 32 Bi 0.52944679284642 0.74936788709793 0.28973713463208 208.980 > 29 33 O 0.39488799754840 0.15078802129840 0.43515587257715 15.999 > 33 34 O 0.89488799754840 0.15078802129840 0.43515587257715 15.999 > 33 35 O 0.39488799754840 0.65078802129840 0.43515587257715 15.999 > 33 36 O 0.89488799754840 0.65078802129840 0.43515587257715 15.999 > 33 37 O 0.22443735975635 0.30780577110737 0.25840280112877 15.999 > 37 38 O 0.72443735975635 0.30780577110737 0.25840280112877 15.999 > 37 39 O 0.22443735975635 0.80780577110737 0.25840280112877 15.999 > 37 40 O 0.72443735975635 0.80780577110737 0.25840280112877 15.999 > 37 41 O 0.27556264024365 0.19219422889263 0.75840280112877 15.999 > 41 42 O 0.77556264024365 0.19219422889263 0.75840280112877 15.999 > 41 43 O 0.27556264024365 0.69219422889263 0.75840280112877 15.999 > 41 44 O 0.77556264024365 0.69219422889263 0.75840280112877 15.999 > 41 45 O 0.08001719360096 0.32914120112007 0.53059585715842 15.999 > 45 46 O 0.58001719360096 0.32914120112007 0.53059585715842 15.999 > 45 47 O 0.08001719360096 0.82914120112007 0.53059585715842 15.999 > 45 48 O 0.58001719360096 0.82914120112007 0.53059585715842 15.999 > 45 49 O 0.16998280639904 0.07914120112007 0.03059585715842 15.999 > 49 50 O 0.66998280639904 0.07914120112007 0.03059585715842 15.999 > 49 51 O 0.16998280639904 0.57914120112007 0.03059585715842 15.999 > 49 52 O 0.66998280639904 0.57914120112007 0.03059585715842 15.999 > 49 53 O 0.33001719360096 0.42085879887993 0.53059585715842 15.999 > 53 54 O 0.83001719360096 0.42085879887993 0.53059585715842 15.999 > 53 55 O 0.33001719360096 0.92085879887993 0.53059585715842 15.999 > 53 56 O 0.83001719360096 0.92085879887993 0.53059585715842 15.999 > 53 57 O 0.41998280639904 0.17085879887993 0.03059585715842 15.999 > 57 58 O 0.91998280639904 0.17085879887993 0.03059585715842 15.999 > 57 59 O 0.41998280639904 0.67085879887993 0.03059585715842 15.999 > 57 60 O 0.91998280639904 0.67085879887993 0.03059585715842 15.999 > 57 61 O 0.02556264024365 0.05780577110737 0.75840280112877 15.999 > 61 62 O 0.52556264024365 0.05780577110737 0.75840280112877 15.999 > 61 63 O 0.02556264024365 0.55780577110737 0.75840280112877 15.999 > 61 64 O 0.52556264024365 0.55780577110737 0.75840280112877 15.999 > 61 65 O 0.10511200245160 0.34921197870160 0.93515587257715 15.999 > 65 66 O 0.60511200245160 0.34921197870160 0.93515587257715 15.999 > 65 67 O 0.10511200245160 0.84921197870160 0.93515587257715 15.999 > 65 68 O 0.60511200245160 0.84921197870160 0.93515587257715 15.999 > 65 69 O 0.14488799754840 0.09921197870160 0.43515587257715 15.999 > 69 70 O 0.64488799754840 0.09921197870160 0.43515587257715 15.999 > 69 71 O 0.14488799754840 0.59921197870160 0.43515587257715 15.999 > 69 72 O 0.64488799754840 0.59921197870160 0.43515587257715 15.999 > 69 73 O 0.47443735975635 0.44219422889263 0.25840280112877 15.999 > 73 74 O 0.97443735975635 0.44219422889263 0.25840280112877 15.999 > 73 75 O 0.47443735975635 0.94219422889263 0.25840280112877 15.999 > 73 76 O 0.97443735975635 0.94219422889263 0.25840280112877 15.999 > 73 77 O 0.35511200245160 0.40078802129840 0.93515587257715 15.999 > 77 78 O 0.85511200245160 0.40078802129840 0.93515587257715 15.999 > 77 79 O 0.35511200245160 0.90078802129840 0.93515587257715 15.999 > 77 80 O 0.85511200245160 0.90078802129840 0.93515587257715 15.999 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.2215356 0.0000000 0.0000000 0.0000000 6.3753637 0.0000000 0.0000000 0.0000000 6.0736663 -------------------------- Born effective charges -------------------------- 1 In 3.4591915 -0.3456183 0.2077885 -0.0961218 3.4340474 -0.1670933 0.1633520 -0.0832060 3.3544620 2 In 3.4591915 -0.3456183 -0.2077885 -0.0961218 3.4340474 0.1670933 -0.1633520 0.0832060 3.3544620 3 In 3.4591915 0.3456183 -0.2077885 0.0961218 3.4340474 -0.1670933 -0.1633520 -0.0832060 3.3544620 4 In 3.4591915 0.3456183 0.2077885 0.0961218 3.4340474 0.1670933 0.1633520 0.0832060 3.3544620 5 Bi 4.6788091 -0.1453483 -0.3603476 0.6069150 4.8194980 0.5671256 -0.4679190 0.0857939 4.4152482 6 Bi 4.6788091 0.1453483 -0.3603476 -0.6069150 4.8194980 -0.5671256 -0.4679190 -0.0857939 4.4152482 7 Bi 4.6788091 0.1453483 0.3603476 -0.6069150 4.8194980 0.5671256 0.4679190 0.0857939 4.4152482 8 Bi 4.6788091 -0.1453483 0.3603476 0.6069150 4.8194980 -0.5671256 0.4679190 -0.0857939 4.4152482 9 O -3.1570573 -0.6598214 0.3011518 -0.7489384 -2.8696472 -0.1015376 0.2153741 -0.0716346 -2.0331456 10 O -2.6353673 -1.0473552 -0.0042092 -0.9219568 -3.0402642 -0.1979695 0.1842749 -0.3983711 -2.3668631 11 O -2.6353673 -1.0473552 0.0042092 -0.9219568 -3.0402642 0.1979695 -0.1842749 0.3983711 -2.3668631 12 O -2.3455760 0.1844416 -0.0312156 0.0113905 -2.3436340 -0.3551937 0.0521928 -0.4114052 -3.3697016 13 O -2.3455760 -0.1844416 0.0312156 -0.0113905 -2.3436340 -0.3551937 -0.0521928 -0.4114052 -3.3697016 14 O -2.3455760 -0.1844416 -0.0312156 -0.0113905 -2.3436340 0.3551937 0.0521928 0.4114052 -3.3697016 15 O -2.3455760 0.1844416 0.0312156 0.0113905 -2.3436340 0.3551937 -0.0521928 0.4114052 -3.3697016 16 O -2.6353673 1.0473552 0.0042092 0.9219568 -3.0402642 -0.1979695 -0.1842749 -0.3983711 -2.3668631 17 O -3.1570573 -0.6598214 -0.3011518 -0.7489384 -2.8696472 0.1015376 -0.2153741 0.0716346 -2.0331456 18 O -3.1570573 0.6598214 0.3011518 0.7489384 -2.8696472 0.1015376 0.2153741 0.0716346 -2.0331456 19 O -2.6353673 1.0473552 -0.0042092 0.9219568 -3.0402642 0.1979695 0.1842749 0.3983711 -2.3668631 20 O -3.1570573 0.6598214 -0.3011518 0.7489384 -2.8696472 -0.1015376 -0.2153741 -0.0716346 -2.0331456 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 45, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000002 (zzz) 0.00000002 (zzz) 0.00000002 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000003 (xy) 0.00000003 (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 13:07:18]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 13:07:18]------------------------- Compiled with OpenMP support (max 48 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: Pna2_1 (33) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.967692110000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.637905650000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.291689529999999 Atomic positions (fractional): 1 In 0.49804419325539 0.50050900568072 0.51580833450359 114.818 2 In 0.50195580674461 0.49949099431928 0.01580833450359 114.818 3 In 0.00195580674461 0.00050900568072 0.01580833450359 114.818 4 In 0.99804419325539 0.99949099431928 0.51580833450359 114.818 5 Bi 0.94110641430717 0.50126422580413 0.78973713463207 208.980 6 Bi 0.44110641430717 0.99873577419587 0.78973713463207 208.980 7 Bi 0.55889358569283 0.00126422580413 0.28973713463208 208.980 8 Bi 0.05889358569283 0.49873577419587 0.28973713463208 208.980 9 O 0.78977599509680 0.30157604259681 0.43515587257715 15.999 10 O 0.44887471951271 0.61561154221474 0.25840280112877 15.999 11 O 0.55112528048729 0.38438845778526 0.75840280112877 15.999 12 O 0.16003438720191 0.65828240224014 0.53059585715842 15.999 13 O 0.33996561279809 0.15828240224014 0.03059585715842 15.999 14 O 0.66003438720191 0.84171759775986 0.53059585715842 15.999 15 O 0.83996561279809 0.34171759775986 0.03059585715842 15.999 16 O 0.05112528048729 0.11561154221474 0.75840280112877 15.999 17 O 0.21022400490320 0.69842395740319 0.93515587257715 15.999 18 O 0.28977599509680 0.19842395740319 0.43515587257715 15.999 19 O 0.94887471951271 0.88438845778526 0.25840280112877 15.999 20 O 0.71022400490320 0.80157604259681 0.93515587257715 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.935384220000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.275811300000001 0.000000000000000 c 0.000000000000000 0.000000000000000 8.291689529999999 Atomic positions (fractional): 1 In 0.24902209662770 0.25025450284036 0.51580833450359 114.818 > 1 2 In 0.74902209662770 0.25025450284036 0.51580833450359 114.818 > 1 3 In 0.24902209662770 0.75025450284036 0.51580833450359 114.818 > 1 4 In 0.74902209662770 0.75025450284036 0.51580833450359 114.818 > 1 5 In 0.25097790337230 0.24974549715964 0.01580833450359 114.818 > 5 6 In 0.75097790337230 0.24974549715964 0.01580833450359 114.818 > 5 7 In 0.25097790337230 0.74974549715964 0.01580833450359 114.818 > 5 8 In 0.75097790337230 0.74974549715964 0.01580833450359 114.818 > 5 9 In 0.00097790337230 0.00025450284036 0.01580833450359 114.818 > 9 10 In 0.50097790337230 0.00025450284036 0.01580833450359 114.818 > 9 11 In 0.00097790337230 0.50025450284036 0.01580833450359 114.818 > 9 12 In 0.50097790337230 0.50025450284036 0.01580833450359 114.818 > 9 13 In 0.49902209662770 0.49974549715964 0.51580833450359 114.818 > 13 14 In 0.99902209662770 0.49974549715964 0.51580833450359 114.818 > 13 15 In 0.49902209662770 0.99974549715964 0.51580833450359 114.818 > 13 16 In 0.99902209662770 0.99974549715964 0.51580833450359 114.818 > 13 17 Bi 0.47055320715359 0.25063211290207 0.78973713463207 208.980 > 17 18 Bi 0.97055320715358 0.25063211290207 0.78973713463207 208.980 > 17 19 Bi 0.47055320715359 0.75063211290207 0.78973713463207 208.980 > 17 20 Bi 0.97055320715358 0.75063211290207 0.78973713463207 208.980 > 17 21 Bi 0.22055320715359 0.49936788709793 0.78973713463207 208.980 > 21 22 Bi 0.72055320715358 0.49936788709793 0.78973713463207 208.980 > 21 23 Bi 0.22055320715359 0.99936788709793 0.78973713463207 208.980 > 21 24 Bi 0.72055320715358 0.99936788709793 0.78973713463207 208.980 > 21 25 Bi 0.27944679284641 0.00063211290207 0.28973713463208 208.980 > 25 26 Bi 0.77944679284642 0.00063211290207 0.28973713463208 208.980 > 25 27 Bi 0.27944679284641 0.50063211290207 0.28973713463208 208.980 > 25 28 Bi 0.77944679284642 0.50063211290207 0.28973713463208 208.980 > 25 29 Bi 0.02944679284642 0.24936788709793 0.28973713463208 208.980 > 29 30 Bi 0.52944679284642 0.24936788709793 0.28973713463208 208.980 > 29 31 Bi 0.02944679284642 0.74936788709793 0.28973713463208 208.980 > 29 32 Bi 0.52944679284642 0.74936788709793 0.28973713463208 208.980 > 29 33 O 0.39488799754840 0.15078802129840 0.43515587257715 15.999 > 33 34 O 0.89488799754840 0.15078802129840 0.43515587257715 15.999 > 33 35 O 0.39488799754840 0.65078802129840 0.43515587257715 15.999 > 33 36 O 0.89488799754840 0.65078802129840 0.43515587257715 15.999 > 33 37 O 0.22443735975635 0.30780577110737 0.25840280112877 15.999 > 37 38 O 0.72443735975635 0.30780577110737 0.25840280112877 15.999 > 37 39 O 0.22443735975635 0.80780577110737 0.25840280112877 15.999 > 37 40 O 0.72443735975635 0.80780577110737 0.25840280112877 15.999 > 37 41 O 0.27556264024365 0.19219422889263 0.75840280112877 15.999 > 41 42 O 0.77556264024365 0.19219422889263 0.75840280112877 15.999 > 41 43 O 0.27556264024365 0.69219422889263 0.75840280112877 15.999 > 41 44 O 0.77556264024365 0.69219422889263 0.75840280112877 15.999 > 41 45 O 0.08001719360096 0.32914120112007 0.53059585715842 15.999 > 45 46 O 0.58001719360096 0.32914120112007 0.53059585715842 15.999 > 45 47 O 0.08001719360096 0.82914120112007 0.53059585715842 15.999 > 45 48 O 0.58001719360096 0.82914120112007 0.53059585715842 15.999 > 45 49 O 0.16998280639904 0.07914120112007 0.03059585715842 15.999 > 49 50 O 0.66998280639904 0.07914120112007 0.03059585715842 15.999 > 49 51 O 0.16998280639904 0.57914120112007 0.03059585715842 15.999 > 49 52 O 0.66998280639904 0.57914120112007 0.03059585715842 15.999 > 49 53 O 0.33001719360096 0.42085879887993 0.53059585715842 15.999 > 53 54 O 0.83001719360096 0.42085879887993 0.53059585715842 15.999 > 53 55 O 0.33001719360096 0.92085879887993 0.53059585715842 15.999 > 53 56 O 0.83001719360096 0.92085879887993 0.53059585715842 15.999 > 53 57 O 0.41998280639904 0.17085879887993 0.03059585715842 15.999 > 57 58 O 0.91998280639904 0.17085879887993 0.03059585715842 15.999 > 57 59 O 0.41998280639904 0.67085879887993 0.03059585715842 15.999 > 57 60 O 0.91998280639904 0.67085879887993 0.03059585715842 15.999 > 57 61 O 0.02556264024365 0.05780577110737 0.75840280112877 15.999 > 61 62 O 0.52556264024365 0.05780577110737 0.75840280112877 15.999 > 61 63 O 0.02556264024365 0.55780577110737 0.75840280112877 15.999 > 61 64 O 0.52556264024365 0.55780577110737 0.75840280112877 15.999 > 61 65 O 0.10511200245160 0.34921197870160 0.93515587257715 15.999 > 65 66 O 0.60511200245160 0.34921197870160 0.93515587257715 15.999 > 65 67 O 0.10511200245160 0.84921197870160 0.93515587257715 15.999 > 65 68 O 0.60511200245160 0.84921197870160 0.93515587257715 15.999 > 65 69 O 0.14488799754840 0.09921197870160 0.43515587257715 15.999 > 69 70 O 0.64488799754840 0.09921197870160 0.43515587257715 15.999 > 69 71 O 0.14488799754840 0.59921197870160 0.43515587257715 15.999 > 69 72 O 0.64488799754840 0.59921197870160 0.43515587257715 15.999 > 69 73 O 0.47443735975635 0.44219422889263 0.25840280112877 15.999 > 73 74 O 0.97443735975635 0.44219422889263 0.25840280112877 15.999 > 73 75 O 0.47443735975635 0.94219422889263 0.25840280112877 15.999 > 73 76 O 0.97443735975635 0.94219422889263 0.25840280112877 15.999 > 73 77 O 0.35511200245160 0.40078802129840 0.93515587257715 15.999 > 77 78 O 0.85511200245160 0.40078802129840 0.93515587257715 15.999 > 77 79 O 0.35511200245160 0.90078802129840 0.93515587257715 15.999 > 77 80 O 0.85511200245160 0.90078802129840 0.93515587257715 15.999 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.2215356 0.0000000 0.0000000 0.0000000 6.3753637 0.0000000 0.0000000 0.0000000 6.0736663 -------------------------- Born effective charges -------------------------- 1 In 3.4591915 -0.3456183 0.2077885 -0.0961218 3.4340474 -0.1670933 0.1633520 -0.0832060 3.3544620 2 In 3.4591915 -0.3456183 -0.2077885 -0.0961218 3.4340474 0.1670933 -0.1633520 0.0832060 3.3544620 3 In 3.4591915 0.3456183 -0.2077885 0.0961218 3.4340474 -0.1670933 -0.1633520 -0.0832060 3.3544620 4 In 3.4591915 0.3456183 0.2077885 0.0961218 3.4340474 0.1670933 0.1633520 0.0832060 3.3544620 5 Bi 4.6788091 -0.1453483 -0.3603476 0.6069150 4.8194980 0.5671256 -0.4679190 0.0857939 4.4152482 6 Bi 4.6788091 0.1453483 -0.3603476 -0.6069150 4.8194980 -0.5671256 -0.4679190 -0.0857939 4.4152482 7 Bi 4.6788091 0.1453483 0.3603476 -0.6069150 4.8194980 0.5671256 0.4679190 0.0857939 4.4152482 8 Bi 4.6788091 -0.1453483 0.3603476 0.6069150 4.8194980 -0.5671256 0.4679190 -0.0857939 4.4152482 9 O -3.1570573 -0.6598214 0.3011518 -0.7489384 -2.8696472 -0.1015376 0.2153741 -0.0716346 -2.0331456 10 O -2.6353673 -1.0473552 -0.0042092 -0.9219568 -3.0402642 -0.1979695 0.1842749 -0.3983711 -2.3668631 11 O -2.6353673 -1.0473552 0.0042092 -0.9219568 -3.0402642 0.1979695 -0.1842749 0.3983711 -2.3668631 12 O -2.3455760 0.1844416 -0.0312156 0.0113905 -2.3436340 -0.3551937 0.0521928 -0.4114052 -3.3697016 13 O -2.3455760 -0.1844416 0.0312156 -0.0113905 -2.3436340 -0.3551937 -0.0521928 -0.4114052 -3.3697016 14 O -2.3455760 -0.1844416 -0.0312156 -0.0113905 -2.3436340 0.3551937 0.0521928 0.4114052 -3.3697016 15 O -2.3455760 0.1844416 0.0312156 0.0113905 -2.3436340 0.3551937 -0.0521928 0.4114052 -3.3697016 16 O -2.6353673 1.0473552 0.0042092 0.9219568 -3.0402642 -0.1979695 -0.1842749 -0.3983711 -2.3668631 17 O -3.1570573 -0.6598214 -0.3011518 -0.7489384 -2.8696472 0.1015376 -0.2153741 0.0716346 -2.0331456 18 O -3.1570573 0.6598214 0.3011518 0.7489384 -2.8696472 0.1015376 0.2153741 0.0716346 -2.0331456 19 O -2.6353673 1.0473552 -0.0042092 0.9219568 -3.0402642 0.1979695 0.1842749 0.3983711 -2.3668631 20 O -3.1570573 0.6598214 -0.3011518 0.7489384 -2.8696472 -0.1015376 -0.2153741 -0.0716346 -2.0331456 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000002 (zzz) 0.00000002 (zzz) 0.00000002 (zzz) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- 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 ... [ 8 9 6 ] 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: 0.64, Number of G-points: 307, Lambda: 0.17 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/100) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 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 1.959 ( 0.000 0.000 0.000) 0.000 2.019 ( 0.000 0.000 0.000) 0.000 2.149 ( 0.000 0.000 0.000) 0.000 2.284 ( 0.000 0.000 -0.000) 0.000 2.345 ( 0.000 0.000 -0.000) 0.000 2.873 ( 0.000 0.000 0.000) 0.000 3.066 ( 0.000 0.000 0.000) 0.000 3.224 ( 0.000 0.000 -0.000) 0.000 3.367 ( 0.000 0.000 0.000) 0.000 3.489 ( 0.000 0.000 0.000) 0.000 3.596 ( 0.000 0.000 0.000) 0.000 3.730 ( 0.000 0.000 0.000) 0.000 3.843 ( 0.000 0.000 0.000) 0.000 3.898 ( 0.000 0.000 0.000) 0.000 4.139 ( 0.000 0.000 0.000) 0.000 5.031 ( 0.000 0.000 0.000) 0.000 5.367 ( 0.000 0.000 0.000) 0.000 5.489 ( 0.000 0.000 0.000) 0.000 5.721 ( 0.000 0.000 -0.000) 0.000 6.209 ( 0.000 0.000 0.000) 0.000 6.261 ( 0.000 0.000 0.000) 0.000 6.460 ( 0.000 0.000 -0.000) 0.000 6.498 ( 0.000 0.000 0.000) 0.000 6.582 ( 0.000 0.000 -0.000) 0.000 6.596 ( 0.000 0.000 0.000) 0.000 7.392 ( 0.000 0.000 -0.000) 0.000 7.398 ( 0.000 0.000 0.000) 0.000 7.666 ( 0.000 0.000 -0.000) 0.000 7.692 ( 0.000 0.000 0.000) 0.000 7.780 ( 0.000 0.000 0.000) 0.000 7.906 ( 0.000 0.000 -0.000) 0.000 8.952 ( 0.000 0.000 0.000) 0.000 9.304 ( 0.000 0.000 0.000) 0.000 9.324 ( 0.000 0.000 0.000) 0.000 9.686 ( 0.000 0.000 0.000) 0.000 9.858 ( 0.000 0.000 0.000) 0.000 9.938 ( 0.000 0.000 0.000) 0.000 10.039 ( 0.000 0.000 0.000) 0.000 10.511 ( 0.000 0.000 0.000) 0.000 11.061 ( 0.000 0.000 0.000) 0.000 11.125 ( 0.000 0.000 0.000) 0.000 11.318 ( 0.000 0.000 0.000) 0.000 11.801 ( 0.000 0.000 0.000) 0.000 12.144 ( 0.000 0.000 0.000) 0.000 12.561 ( 0.000 0.000 -0.000) 0.000 13.326 ( 0.000 0.000 0.000) 0.000 13.625 ( 0.000 0.000 0.000) 0.000 13.894 ( 0.000 0.000 0.000) 0.000 14.578 ( 0.000 0.000 0.000) 0.000 14.593 ( 0.000 0.000 -0.000) 0.000 14.952 ( 0.000 0.000 -0.000) 0.000 14.968 ( 0.000 0.000 0.000) 0.000 15.327 ( 0.000 0.000 -0.000) 0.000 15.416 ( 0.000 0.000 -0.000) 0.000 15.786 ( 0.000 0.000 0.000) 0.000 16.383 ( 0.000 0.000 -0.000) 0.000 17.060 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/100) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.489 ( 22.449 0.000 0.000) 22.449 0.529 ( 25.434 0.000 0.000) 25.434 0.991 ( 45.304 0.000 0.000) 45.304 1.964 ( 0.797 0.000 0.000) 0.797 2.072 ( 4.410 0.000 0.000) 4.410 2.143 ( -4.089 0.000 0.000) 4.089 2.206 ( -6.097 0.000 0.000) 6.097 2.379 ( 2.068 0.000 0.000) 2.068 2.823 ( -4.239 0.000 0.000) 4.239 2.962 ( -13.313 0.000 0.000) 13.313 3.157 ( -8.818 0.000 0.000) 8.818 3.206 ( -2.971 0.000 0.000) 2.971 3.611 ( 10.703 0.000 0.000) 10.703 3.725 ( 1.497 0.000 0.000) 1.497 3.778 ( 4.193 0.000 0.000) 4.193 4.017 ( 6.020 0.000 0.000) 6.020 4.029 ( 11.179 0.000 0.000) 11.179 4.204 ( 4.053 0.000 0.000) 4.053 5.069 ( 3.100 0.000 0.000) 3.100 5.470 ( -1.765 0.000 0.000) 1.765 5.487 ( 2.267 0.000 0.000) 2.267 5.691 ( -3.564 0.000 0.000) 3.564 6.164 ( -2.935 0.000 0.000) 2.935 6.309 ( 3.525 0.000 0.000) 3.525 6.371 ( -6.023 0.000 0.000) 6.023 6.554 ( -3.994 0.000 0.000) 3.994 6.575 ( 4.631 0.000 0.000) 4.631 7.238 ( -10.652 0.000 0.000) 10.652 7.377 ( -1.028 0.000 0.000) 1.028 7.476 ( -3.113 0.000 0.000) 3.113 7.712 ( -2.137 0.000 0.000) 2.137 7.918 ( 9.046 0.000 0.000) 9.046 7.965 ( 7.042 0.000 0.000) 7.042 8.843 ( -9.784 0.000 0.000) 9.784 9.181 ( -10.557 0.000 0.000) 10.557 9.182 ( -10.047 0.000 0.000) 10.047 9.472 ( -2.202 0.000 0.000) 2.202 9.744 ( 2.200 0.000 0.000) 2.200 10.073 ( 12.086 0.000 0.000) 12.086 10.096 ( 5.998 0.000 0.000) 5.998 10.585 ( 6.546 0.000 0.000) 6.546 10.753 ( 6.923 0.000 0.000) 6.923 11.087 ( 1.554 0.000 0.000) 1.554 11.306 ( -1.230 0.000 0.000) 1.230 11.774 ( 3.593 0.000 0.000) 3.593 11.873 ( 6.828 0.000 0.000) 6.828 12.598 ( 4.003 0.000 0.000) 4.003 13.297 ( -2.998 0.000 0.000) 2.998 13.601 ( -2.197 0.000 0.000) 2.197 13.782 ( 0.565 0.000 0.000) 0.565 13.874 ( -3.786 0.000 0.000) 3.786 14.510 ( -7.424 0.000 0.000) 7.424 14.548 ( -2.796 0.000 0.000) 2.796 14.912 ( -1.278 0.000 0.000) 1.278 15.248 ( -6.348 0.000 0.000) 6.348 15.429 ( 0.083 0.000 0.000) 0.083 15.838 ( 13.701 0.000 0.000) 13.701 16.386 ( 0.369 0.000 0.000) 0.369 16.771 ( -1.005 0.000 0.000) 1.005 17.050 ( -0.993 0.000 0.000) 0.993 ======================= Grid point 2 (3/100) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( 19.597 0.000 0.000) 19.597 1.037 ( 22.768 0.000 0.000) 22.768 1.811 ( 24.966 0.000 0.000) 24.966 2.015 ( -6.674 0.000 0.000) 6.674 2.018 ( -9.624 0.000 0.000) 9.624 2.063 ( 14.236 0.000 0.000) 14.236 2.204 ( 5.585 0.000 0.000) 5.585 2.405 ( 0.066 0.000 0.000) 0.066 2.584 ( -18.665 0.000 0.000) 18.665 2.709 ( -6.598 0.000 0.000) 6.598 3.045 ( -4.528 0.000 0.000) 4.528 3.113 ( -4.851 0.000 0.000) 4.851 3.704 ( 0.586 0.000 0.000) 0.586 3.721 ( -5.073 0.000 0.000) 5.073 3.973 ( 17.936 0.000 0.000) 17.936 4.210 ( 4.859 0.000 0.000) 4.859 4.330 ( 16.466 0.000 0.000) 16.466 4.362 ( 14.567 0.000 0.000) 14.567 5.121 ( 0.968 0.000 0.000) 0.968 5.418 ( -3.340 0.000 0.000) 3.340 5.525 ( -0.550 0.000 0.000) 0.550 5.551 ( -8.738 0.000 0.000) 8.738 6.112 ( -2.047 0.000 0.000) 2.047 6.218 ( -8.290 0.000 0.000) 8.290 6.398 ( 4.830 0.000 0.000) 4.830 6.452 ( -3.948 0.000 0.000) 3.948 6.662 ( 2.840 0.000 0.000) 2.840 7.062 ( -4.987 0.000 0.000) 4.987 7.285 ( -5.698 0.000 0.000) 5.698 7.505 ( -0.599 0.000 0.000) 0.599 7.573 ( -5.428 0.000 0.000) 5.428 8.082 ( 6.182 0.000 0.000) 6.182 8.153 ( 9.210 0.000 0.000) 9.210 8.583 ( -13.953 0.000 0.000) 13.953 8.941 ( -12.000 0.000 0.000) 12.000 8.953 ( -10.539 0.000 0.000) 10.539 9.446 ( 0.264 0.000 0.000) 0.264 9.736 ( -2.359 0.000 0.000) 2.359 10.275 ( 9.961 0.000 0.000) 9.961 10.397 ( 17.607 0.000 0.000) 17.607 10.754 ( 8.805 0.000 0.000) 8.805 10.873 ( 2.858 0.000 0.000) 2.858 11.096 ( -0.102 0.000 0.000) 0.102 11.270 ( -1.982 0.000 0.000) 1.982 11.947 ( 12.826 0.000 0.000) 12.826 12.080 ( 12.565 0.000 0.000) 12.565 12.742 ( 9.610 0.000 0.000) 9.610 13.185 ( -7.849 0.000 0.000) 7.849 13.533 ( -4.502 0.000 0.000) 4.502 13.569 ( -15.329 0.000 0.000) 15.329 13.970 ( 7.242 0.000 0.000) 7.242 14.355 ( -5.209 0.000 0.000) 5.209 14.464 ( -5.137 0.000 0.000) 5.137 14.932 ( 2.840 0.000 0.000) 2.840 15.079 ( -9.717 0.000 0.000) 9.717 15.397 ( -3.308 0.000 0.000) 3.308 16.141 ( 13.857 0.000 0.000) 13.857 16.402 ( 1.210 0.000 0.000) 1.210 16.746 ( -1.179 0.000 0.000) 1.179 17.013 ( -2.682 0.000 0.000) 2.682 ======================= Grid point 3 (4/100) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( 16.255 0.000 0.000) 16.255 1.456 ( 15.971 0.000 0.000) 15.971 1.818 ( -8.155 0.000 0.000) 8.155 1.837 ( -8.390 0.000 0.000) 8.390 2.026 ( 4.811 0.000 0.000) 4.811 2.225 ( -8.617 0.000 0.000) 8.617 2.228 ( -5.505 0.000 0.000) 5.505 2.436 ( 2.726 0.000 0.000) 2.726 2.555 ( -5.900 0.000 0.000) 5.900 2.583 ( 16.416 0.000 0.000) 16.416 2.951 ( -3.044 0.000 0.000) 3.044 3.036 ( -2.347 0.000 0.000) 2.347 3.647 ( -1.195 0.000 0.000) 1.195 3.700 ( -0.978 0.000 0.000) 0.978 4.303 ( 6.279 0.000 0.000) 6.279 4.348 ( 16.032 0.000 0.000) 16.032 4.644 ( 11.242 0.000 0.000) 11.242 4.690 ( 14.440 0.000 0.000) 14.440 5.124 ( 0.938 0.000 0.000) 0.938 5.282 ( -14.493 0.000 0.000) 14.493 5.304 ( -7.255 0.000 0.000) 7.255 5.491 ( -5.051 0.000 0.000) 5.051 6.046 ( -4.137 0.000 0.000) 4.137 6.054 ( -6.292 0.000 0.000) 6.292 6.498 ( 6.085 0.000 0.000) 6.085 6.509 ( 8.929 0.000 0.000) 8.929 6.671 ( -1.969 0.000 0.000) 1.969 7.035 ( 1.827 0.000 0.000) 1.827 7.144 ( -10.145 0.000 0.000) 10.145 7.264 ( -12.023 0.000 0.000) 12.023 7.697 ( 9.598 0.000 0.000) 9.598 8.142 ( -3.792 0.000 0.000) 3.792 8.313 ( 5.518 0.000 0.000) 5.518 8.333 ( -5.633 0.000 0.000) 5.633 8.714 ( -8.731 0.000 0.000) 8.731 8.754 ( -8.185 0.000 0.000) 8.185 9.487 ( 3.461 0.000 0.000) 3.461 9.668 ( -3.939 0.000 0.000) 3.939 10.481 ( 9.269 0.000 0.000) 9.269 10.711 ( 6.466 0.000 0.000) 6.466 10.898 ( 4.933 0.000 0.000) 4.933 10.923 ( 6.858 0.000 0.000) 6.858 11.101 ( -0.031 0.000 0.000) 0.031 11.225 ( -2.646 0.000 0.000) 2.646 12.268 ( 16.556 0.000 0.000) 16.556 12.377 ( 15.094 0.000 0.000) 15.094 12.960 ( 8.839 0.000 0.000) 8.839 12.978 ( -11.350 0.000 0.000) 11.350 13.225 ( -15.468 0.000 0.000) 15.468 13.404 ( -7.848 0.000 0.000) 7.848 14.095 ( 4.596 0.000 0.000) 4.596 14.341 ( -6.409 0.000 0.000) 6.409 14.368 ( 6.801 0.000 0.000) 6.801 14.847 ( -12.230 0.000 0.000) 12.230 15.020 ( 5.363 0.000 0.000) 5.363 15.294 ( -6.279 0.000 0.000) 6.279 16.379 ( 7.966 0.000 0.000) 7.966 16.435 ( 1.727 0.000 0.000) 1.727 16.740 ( 1.373 0.000 0.000) 1.373 16.934 ( -4.843 0.000 0.000) 4.843 ======================= Grid point 4 (5/100) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( -7.304 0.000 0.000) 7.304 1.582 ( 7.304 0.000 0.000) 7.304 1.722 ( -0.160 0.000 0.000) 0.160 1.722 ( 0.160 0.000 0.000) 0.160 2.070 ( -5.949 0.000 0.000) 5.949 2.070 ( 5.949 0.000 0.000) 5.949 2.295 ( -9.975 0.000 0.000) 9.975 2.295 ( 9.975 0.000 0.000) 9.975 2.638 ( -6.540 0.000 0.000) 6.540 2.638 ( 6.540 0.000 0.000) 6.540 2.987 ( -3.334 0.000 0.000) 3.334 2.987 ( 3.334 0.000 0.000) 3.334 3.666 ( -2.017 0.000 0.000) 2.017 3.666 ( 2.017 0.000 0.000) 2.017 4.468 ( -6.133 0.000 0.000) 6.133 4.468 ( 6.133 0.000 0.000) 6.133 4.838 ( -6.878 0.000 0.000) 6.878 4.838 ( 6.878 0.000 0.000) 6.878 5.077 ( -2.757 0.000 0.000) 2.757 5.077 ( 2.757 0.000 0.000) 2.757 5.323 ( -9.296 0.000 0.000) 9.296 5.323 ( 9.296 0.000 0.000) 9.296 5.990 ( -0.293 0.000 0.000) 0.293 5.990 ( 0.293 0.000 0.000) 0.293 6.598 ( -4.406 0.000 0.000) 4.406 6.598 ( 4.406 0.000 0.000) 4.406 6.817 ( -17.514 0.000 0.000) 17.514 6.817 ( 17.514 0.000 0.000) 17.514 7.111 ( -4.944 0.000 0.000) 4.944 7.111 ( 4.944 0.000 0.000) 4.944 7.929 ( -12.080 0.000 0.000) 12.080 7.929 ( 12.080 0.000 0.000) 12.080 8.352 ( -2.056 0.000 0.000) 2.056 8.352 ( 2.056 0.000 0.000) 2.056 8.634 ( -2.070 0.000 0.000) 2.070 8.634 ( 2.070 0.000 0.000) 2.070 9.576 ( -4.618 0.000 0.000) 4.618 9.576 ( 4.618 0.000 0.000) 4.618 10.652 ( -6.838 0.000 0.000) 6.838 10.652 ( 6.838 0.000 0.000) 6.838 11.022 ( -1.272 0.000 0.000) 1.272 11.022 ( 1.272 0.000 0.000) 1.272 11.133 ( -5.729 0.000 0.000) 5.729 11.133 ( 5.729 0.000 0.000) 5.729 12.564 ( -6.681 0.000 0.000) 6.681 12.564 ( 6.681 0.000 0.000) 6.681 12.851 ( -8.219 0.000 0.000) 8.219 12.851 ( 8.219 0.000 0.000) 8.219 13.221 ( -8.933 0.000 0.000) 8.933 13.221 ( 8.933 0.000 0.000) 8.933 14.205 ( -6.201 0.000 0.000) 6.201 14.205 ( 6.201 0.000 0.000) 6.201 14.583 ( -12.351 0.000 0.000) 12.351 14.583 ( 12.351 0.000 0.000) 12.351 15.151 ( -6.921 0.000 0.000) 6.921 15.151 ( 6.921 0.000 0.000) 6.921 16.457 ( -0.274 0.000 0.000) 0.274 16.457 ( 0.274 0.000 0.000) 0.274 16.819 ( -5.563 0.000 0.000) 5.563 16.819 ( 5.563 0.000 0.000) 5.563 ======================= Grid point 9 (6/100) ======================= q-point: ( 0.00 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.454 ( 0.000 22.439 0.000) 22.439 0.479 ( 0.000 24.231 0.000) 24.231 0.891 ( 0.000 43.613 0.000) 43.613 1.999 ( 0.000 -2.582 0.000) 2.582 2.001 ( 0.000 4.178 0.000) 4.178 2.193 ( 0.000 4.713 0.000) 4.713 2.298 ( 0.000 0.880 0.000) 0.880 2.346 ( 0.000 -3.221 0.000) 3.221 2.981 ( 0.000 -8.280 0.000) 8.280 3.019 ( 0.000 -19.184 0.000) 19.184 3.108 ( 0.000 -2.407 0.000) 2.407 3.242 ( 0.000 -6.040 0.000) 6.040 3.680 ( 0.000 5.665 0.000) 5.665 3.690 ( 0.000 7.521 0.000) 7.521 3.754 ( 0.000 10.205 0.000) 10.205 3.859 ( 0.000 -11.465 0.000) 11.465 3.915 ( 0.000 6.925 0.000) 6.925 4.324 ( 0.000 8.401 0.000) 8.401 5.262 ( 0.000 -2.120 0.000) 2.120 5.319 ( 0.000 -0.986 0.000) 0.986 5.666 ( 0.000 9.232 0.000) 9.232 5.721 ( 0.000 -0.396 0.000) 0.396 6.212 ( 0.000 -0.081 0.000) 0.081 6.406 ( 0.000 -6.061 0.000) 6.061 6.462 ( 0.000 -2.271 0.000) 2.271 6.549 ( 0.000 -2.565 0.000) 2.565 6.602 ( 0.000 1.918 0.000) 1.918 7.304 ( 0.000 -5.587 0.000) 5.587 7.421 ( 0.000 2.049 0.000) 2.049 7.625 ( 0.000 -3.852 0.000) 3.852 7.679 ( 0.000 -1.886 0.000) 1.886 7.801 ( 0.000 -6.061 0.000) 6.061 7.830 ( 0.000 3.881 0.000) 3.881 8.159 ( 0.000 0.742 0.000) 0.742 9.002 ( 0.000 3.829 0.000) 3.829 9.068 ( 0.000 -17.075 0.000) 17.075 9.627 ( 0.000 -2.515 0.000) 2.515 9.773 ( 0.000 10.018 0.000) 10.018 9.980 ( 0.000 7.929 0.000) 7.929 10.040 ( 0.000 9.567 0.000) 9.567 10.432 ( 0.000 -4.234 0.000) 4.234 11.161 ( 0.000 8.469 0.000) 8.469 11.162 ( 0.000 1.922 0.000) 1.922 11.274 ( 0.000 -0.241 0.000) 0.241 11.636 ( 0.000 -0.836 0.000) 0.836 12.134 ( 0.000 -0.306 0.000) 0.306 12.475 ( 0.000 -7.817 0.000) 7.817 13.186 ( 0.000 -13.602 0.000) 13.602 13.618 ( 0.000 5.875 0.000) 5.875 13.828 ( 0.000 -6.002 0.000) 6.002 14.201 ( 0.000 1.002 0.000) 1.002 14.581 ( 0.000 -0.222 0.000) 0.222 14.612 ( 0.000 1.598 0.000) 1.598 14.939 ( 0.000 -1.227 0.000) 1.227 15.019 ( 0.000 4.122 0.000) 4.122 15.265 ( 0.000 -9.755 0.000) 9.755 15.961 ( 0.000 12.282 0.000) 12.282 16.406 ( 0.000 2.564 0.000) 2.564 16.631 ( 0.000 -1.599 0.000) 1.599 17.052 ( 0.000 -0.765 0.000) 0.765 ======================= Grid point 10 (7/100) ======================= q-point: ( 0.12 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.693 ( 16.747 15.667 0.000) 22.933 0.721 ( 18.426 16.200 0.000) 24.535 1.274 ( 30.947 25.464 0.000) 40.076 1.964 ( -1.704 -0.405 0.000) 1.752 2.044 ( 2.147 0.044 0.000) 2.148 2.189 ( 0.113 3.908 0.000) 3.910 2.205 ( -5.952 -0.312 0.000) 5.960 2.385 ( 1.401 -0.312 0.000) 1.436 2.797 ( -12.963 -5.602 0.000) 14.122 2.920 ( -7.313 -6.092 0.000) 9.518 3.089 ( -3.909 -6.936 0.000) 7.962 3.181 ( -3.597 -2.658 0.000) 4.473 3.521 ( -0.086 -0.997 0.000) 1.001 3.714 ( 0.130 -1.330 0.000) 1.337 3.792 ( 1.266 -2.035 0.000) 2.397 3.908 ( 2.634 -4.760 0.000) 5.440 4.150 ( 16.853 13.482 0.000) 21.582 4.406 ( 6.641 11.646 0.000) 13.407 5.178 ( -2.110 5.177 0.000) 5.591 5.386 ( 1.494 -4.477 0.000) 4.720 5.618 ( -4.726 3.796 0.000) 6.062 5.658 ( -4.548 0.169 0.000) 4.552 6.185 ( -2.321 0.519 0.000) 2.379 6.322 ( -6.550 -4.429 0.000) 7.907 6.420 ( -2.801 7.862 0.000) 8.346 6.527 ( -2.165 -2.650 0.000) 3.421 6.543 ( 2.114 -2.292 0.000) 3.118 7.181 ( -10.943 -4.285 0.000) 11.752 7.346 ( -3.126 -6.311 0.000) 7.042 7.504 ( 1.919 5.298 0.000) 5.635 7.747 ( -2.191 2.298 0.000) 3.175 7.906 ( 5.520 -4.611 0.000) 7.193 7.961 ( 9.455 1.067 0.000) 9.515 8.412 ( 5.148 -28.866 0.000) 29.321 8.870 ( -9.079 1.534 0.000) 9.207 9.177 ( 5.276 -14.206 0.000) 15.154 9.561 ( -9.266 12.860 0.000) 15.850 9.763 ( 8.596 -2.048 0.000) 8.837 10.082 ( 1.092 5.291 0.000) 5.403 10.152 ( 10.820 3.585 0.000) 11.399 10.501 ( 6.105 -4.389 0.000) 7.519 10.965 ( -5.427 7.641 0.000) 9.373 11.200 ( 0.274 6.738 0.000) 6.743 11.311 ( -0.981 0.948 0.000) 1.364 11.666 ( 3.854 -2.879 0.000) 4.811 12.139 ( 4.364 11.557 0.000) 12.354 12.489 ( 2.040 -9.682 0.000) 9.895 13.127 ( -4.447 -15.528 0.000) 16.152 13.640 ( -0.500 5.652 0.000) 5.674 13.826 ( -0.156 -4.578 0.000) 4.580 14.064 ( -8.250 16.849 0.000) 18.760 14.440 ( -7.857 -2.617 0.000) 8.281 14.606 ( -0.121 1.523 0.000) 1.527 14.910 ( -0.849 -0.230 0.000) 0.879 15.192 ( 3.503 -2.587 0.000) 4.355 15.320 ( 3.964 -6.954 0.000) 8.004 16.009 ( 5.136 11.337 0.000) 12.446 16.372 ( -0.853 -0.352 0.000) 0.922 16.690 ( 1.923 -4.574 0.000) 4.962 17.041 ( -1.105 -0.894 0.000) 1.422 ======================= Grid point 11 (8/100) ======================= q-point: ( 0.25 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( 16.548 10.196 0.000) 19.437 1.144 ( 20.425 10.132 0.000) 22.800 1.904 ( 17.218 8.471 0.000) 19.189 1.951 ( 1.245 -4.507 0.000) 4.676 2.016 ( -5.804 0.237 0.000) 5.809 2.110 ( 4.288 5.100 0.000) 6.664 2.265 ( 8.404 2.128 0.000) 8.669 2.372 ( -4.234 -2.088 0.000) 4.721 2.527 ( -12.334 -3.111 0.000) 12.720 2.724 ( -9.153 -1.055 0.000) 9.213 2.995 ( -4.184 -4.499 0.000) 6.144 3.092 ( -4.558 -2.018 0.000) 4.985 3.622 ( 4.105 -7.678 0.000) 8.706 3.731 ( -1.370 -0.523 0.000) 1.466 3.818 ( 7.340 -6.241 0.000) 9.635 4.024 ( 7.940 -13.266 0.000) 15.461 4.451 ( 10.692 12.288 0.000) 16.288 4.640 ( 15.603 14.991 0.000) 21.638 5.143 ( -2.730 0.323 0.000) 2.749 5.345 ( -7.199 -5.448 0.000) 9.028 5.452 ( -6.377 -5.842 0.000) 8.648 5.624 ( -0.733 5.209 0.000) 5.260 6.120 ( -5.070 -3.019 0.000) 5.901 6.160 ( -7.366 -2.202 0.000) 7.688 6.430 ( 1.729 2.540 0.000) 3.073 6.463 ( -0.790 1.341 0.000) 1.557 6.596 ( 1.659 -6.623 0.000) 6.828 7.011 ( -4.560 -3.397 0.000) 5.687 7.273 ( -4.153 -3.671 0.000) 5.543 7.555 ( -3.951 4.085 0.000) 5.683 7.617 ( -2.854 3.821 0.000) 4.770 8.047 ( 5.364 -11.507 0.000) 12.696 8.141 ( 7.258 5.272 0.000) 8.970 8.404 ( -1.800 -19.662 0.000) 19.745 8.674 ( -8.789 3.286 0.000) 9.383 9.108 ( -10.558 -2.547 0.000) 10.861 9.484 ( 0.930 6.805 0.000) 6.868 9.872 ( -0.893 9.192 0.000) 9.235 10.167 ( 9.513 -7.550 0.000) 12.145 10.417 ( 14.488 -0.552 0.000) 14.499 10.659 ( 8.355 -5.468 0.000) 9.985 10.926 ( -1.579 2.786 0.000) 3.202 11.166 ( -2.695 3.884 0.000) 4.727 11.259 ( -2.655 -1.742 0.000) 3.176 11.826 ( 10.687 -3.488 0.000) 11.242 12.324 ( 11.906 13.110 0.000) 17.709 12.598 ( 8.620 -10.648 0.000) 13.700 12.985 ( -8.826 -17.217 0.000) 19.348 13.531 ( -10.347 2.533 0.000) 10.652 13.765 ( -5.479 11.532 0.000) 12.768 13.999 ( 1.948 3.412 0.000) 3.929 14.338 ( -1.483 1.951 0.000) 2.451 14.562 ( -3.541 5.465 0.000) 6.512 14.917 ( 0.984 -0.595 0.000) 1.150 15.144 ( -5.466 4.549 0.000) 7.111 15.365 ( -0.845 -2.866 0.000) 2.988 16.170 ( 9.348 2.708 0.000) 9.732 16.377 ( 0.965 -2.360 0.000) 2.550 16.702 ( -0.024 -3.400 0.000) 3.400 17.001 ( -2.845 -1.204 0.000) 3.090 ======================= Grid point 12 (9/100) ======================= q-point: ( 0.38 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( 14.943 6.303 0.000) 16.218 1.529 ( 14.974 7.209 0.000) 16.619 1.840 ( -7.034 2.223 0.000) 7.377 1.865 ( -6.563 2.257 0.000) 6.940 2.057 ( 3.371 3.040 0.000) 4.539 2.167 ( -7.209 -5.166 0.000) 8.869 2.233 ( -4.670 0.421 0.000) 4.689 2.423 ( 2.133 -1.244 0.000) 2.469 2.522 ( -4.227 -3.387 0.000) 5.416 2.596 ( 7.653 0.795 0.000) 7.694 2.932 ( 0.017 -1.330 0.000) 1.330 3.031 ( -1.173 -0.346 0.000) 1.223 3.642 ( -0.067 -1.132 0.000) 1.134 3.693 ( -1.365 -0.674 0.000) 1.522 4.082 ( 14.340 -14.138 0.000) 20.138 4.232 ( 13.354 -13.421 0.000) 18.933 4.586 ( -0.891 2.466 0.000) 2.622 4.889 ( -1.772 -2.821 0.000) 3.331 5.092 ( 4.143 5.097 0.000) 6.568 5.158 ( -2.905 -2.652 0.000) 3.934 5.389 ( -2.628 0.495 0.000) 2.675 5.557 ( -6.401 4.777 0.000) 7.987 5.980 ( -4.878 -4.165 0.000) 6.414 6.045 ( -5.210 -0.560 0.000) 5.240 6.488 ( 3.966 -0.858 0.000) 4.058 6.534 ( 6.180 0.964 0.000) 6.255 6.620 ( 1.976 -4.465 0.000) 4.883 6.988 ( 2.340 -3.351 0.000) 4.088 7.147 ( -9.468 -1.448 0.000) 9.578 7.295 ( -13.226 1.902 0.000) 13.362 7.716 ( 6.870 0.876 0.000) 6.925 8.039 ( -5.799 -14.521 0.000) 15.636 8.275 ( 5.507 6.269 0.000) 8.345 8.429 ( 3.756 -1.151 0.000) 3.929 8.526 ( -4.503 -1.252 0.000) 4.674 8.856 ( -12.259 2.680 0.000) 12.549 9.538 ( 4.353 4.769 0.000) 6.458 9.796 ( -5.419 10.865 0.000) 12.142 10.389 ( 10.249 -8.424 0.000) 13.267 10.721 ( 7.467 -0.710 0.000) 7.500 10.743 ( 1.806 -9.172 0.000) 9.348 10.948 ( 7.866 -1.650 0.000) 8.037 11.101 ( -4.294 -0.794 0.000) 4.367 11.219 ( -1.726 -1.426 0.000) 2.239 12.071 ( 12.177 -8.984 0.000) 15.133 12.523 ( 0.557 -3.940 0.000) 3.979 12.740 ( 3.089 -12.714 0.000) 13.084 12.935 ( 10.868 4.528 0.000) 11.774 13.264 ( -13.022 0.294 0.000) 13.025 13.599 ( -11.187 15.983 0.000) 19.509 14.080 ( 5.725 -0.865 0.000) 5.790 14.343 ( -1.645 3.014 0.000) 3.434 14.517 ( 2.414 9.511 0.000) 9.813 14.873 ( -7.232 1.919 0.000) 7.483 15.077 ( 1.588 5.181 0.000) 5.419 15.293 ( -5.388 -0.122 0.000) 5.389 16.348 ( 6.440 -2.875 0.000) 7.053 16.403 ( 1.318 -3.076 0.000) 3.346 16.717 ( 2.172 -1.993 0.000) 2.948 16.919 ( -4.935 -1.493 0.000) 5.156 ======================= Grid point 13 (10/100) ======================= q-point: (-0.50 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( -7.029 5.821 0.000) 9.126 1.647 ( 7.029 5.821 0.000) 9.126 1.752 ( -0.009 2.981 0.000) 2.981 1.752 ( 0.009 2.981 0.000) 2.981 2.072 ( -6.456 0.239 0.000) 6.461 2.072 ( 6.456 0.239 0.000) 6.461 2.285 ( -9.713 -0.866 0.000) 9.752 2.285 ( 9.713 -0.866 0.000) 9.752 2.587 ( -5.082 -4.721 0.000) 6.937 2.587 ( 5.082 -4.721 0.000) 6.937 3.000 ( -2.413 1.172 0.000) 2.682 3.000 ( 2.413 1.172 0.000) 2.682 3.661 ( -1.277 -0.668 0.000) 1.441 3.661 ( 1.277 -0.668 0.000) 1.441 4.388 ( -13.269 -8.732 0.000) 15.884 4.388 ( 13.269 -8.732 0.000) 15.884 4.588 ( -18.074 -14.944 0.000) 23.452 4.588 ( 18.074 -14.944 0.000) 23.452 5.230 ( -1.011 2.414 0.000) 2.617 5.230 ( 1.011 2.414 0.000) 2.617 5.378 ( -7.686 8.886 0.000) 11.749 5.378 ( 7.686 8.886 0.000) 11.749 5.957 ( -2.014 -1.951 0.000) 2.804 5.957 ( 2.014 -1.951 0.000) 2.804 6.554 ( -0.942 -3.801 0.000) 3.916 6.554 ( 0.942 -3.801 0.000) 3.916 6.846 ( -14.509 1.685 0.000) 14.607 6.846 ( 14.509 1.685 0.000) 14.607 7.095 ( -5.818 -2.149 0.000) 6.202 7.095 ( 5.818 -2.149 0.000) 6.202 7.878 ( -1.805 -6.311 0.000) 6.564 7.878 ( 1.805 -6.311 0.000) 6.564 8.383 ( -0.533 4.306 0.000) 4.338 8.383 ( 0.533 4.306 0.000) 4.338 8.621 ( -6.542 -0.079 0.000) 6.543 8.621 ( 6.542 -0.079 0.000) 6.543 9.662 ( -5.521 7.792 0.000) 9.550 9.662 ( 5.521 7.792 0.000) 9.550 10.584 ( -8.421 -6.875 0.000) 10.871 10.584 ( 8.421 -6.875 0.000) 10.871 10.963 ( -4.026 -4.437 0.000) 5.991 10.963 ( 4.026 -4.437 0.000) 5.991 11.136 ( -6.917 -1.267 0.000) 7.032 11.136 ( 6.917 -1.267 0.000) 7.032 12.331 ( -12.029 -16.115 0.000) 20.110 12.331 ( 12.029 -16.115 0.000) 20.110 12.938 ( -9.604 0.784 0.000) 9.636 12.938 ( 9.604 0.784 0.000) 9.636 13.306 ( -14.529 11.401 0.000) 18.468 13.306 ( 14.529 11.401 0.000) 18.468 14.227 ( -6.197 2.007 0.000) 6.514 14.227 ( 6.197 2.007 0.000) 6.514 14.673 ( -6.542 7.401 0.000) 9.878 14.673 ( 6.542 7.401 0.000) 9.878 15.168 ( -3.470 1.679 0.000) 3.855 15.168 ( 3.470 1.679 0.000) 3.855 16.417 ( -0.575 -3.867 0.000) 3.910 16.417 ( 0.575 -3.867 0.000) 3.910 16.804 ( -5.018 -1.521 0.000) 5.243 16.804 ( 5.018 -1.521 0.000) 5.243 ======================= Grid point 18 (11/100) ======================= q-point: ( 0.00 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.876 ( 0.000 20.345 0.000) 20.345 0.938 ( 0.000 22.159 0.000) 22.159 1.678 ( 0.000 34.107 0.000) 34.107 1.931 ( 0.000 -3.418 0.000) 3.418 2.115 ( 0.000 7.122 0.000) 7.122 2.260 ( 0.000 -5.342 0.000) 5.342 2.286 ( 0.000 -2.865 0.000) 2.865 2.312 ( 0.000 5.653 0.000) 5.653 2.606 ( 0.000 -18.985 0.000) 18.985 2.786 ( 0.000 -10.077 0.000) 10.077 3.026 ( 0.000 -6.120 0.000) 6.120 3.130 ( 0.000 -5.461 0.000) 5.461 3.607 ( 0.000 -9.440 0.000) 9.440 3.668 ( 0.000 -2.297 0.000) 2.297 3.925 ( 0.000 11.483 0.000) 11.483 4.088 ( 0.000 13.658 0.000) 13.658 4.145 ( 0.000 20.341 0.000) 20.341 4.448 ( 0.000 4.751 0.000) 4.751 5.215 ( 0.000 -2.483 0.000) 2.483 5.316 ( 0.000 -0.378 0.000) 0.378 5.682 ( 0.000 -4.238 0.000) 4.238 5.691 ( 0.000 -6.220 0.000) 6.220 6.072 ( 0.000 -14.871 0.000) 14.871 6.200 ( 0.000 -14.657 0.000) 14.657 6.492 ( 0.000 -3.012 0.000) 3.012 6.538 ( 0.000 6.264 0.000) 6.264 6.646 ( 0.000 3.851 0.000) 3.851 7.167 ( 0.000 -8.111 0.000) 8.111 7.400 ( 0.000 -3.361 0.000) 3.361 7.500 ( 0.000 -10.957 0.000) 10.957 7.664 ( 0.000 7.399 0.000) 7.399 7.810 ( 0.000 2.948 0.000) 2.948 7.920 ( 0.000 5.387 0.000) 5.387 8.166 ( 0.000 0.196 0.000) 0.196 8.784 ( 0.000 -9.860 0.000) 9.860 9.017 ( 0.000 -4.039 0.000) 4.039 9.669 ( 0.000 8.051 0.000) 8.051 9.970 ( 0.000 9.634 0.000) 9.634 10.096 ( 0.000 5.543 0.000) 5.543 10.265 ( 0.000 12.006 0.000) 12.006 10.479 ( 0.000 8.523 0.000) 8.523 11.148 ( 0.000 -3.602 0.000) 3.602 11.237 ( 0.000 -2.035 0.000) 2.035 11.316 ( 0.000 3.182 0.000) 3.182 11.672 ( 0.000 5.843 0.000) 5.843 12.170 ( 0.000 4.785 0.000) 4.785 12.292 ( 0.000 -9.573 0.000) 9.573 12.829 ( 0.000 -21.384 0.000) 21.384 13.675 ( 0.000 -1.554 0.000) 1.554 13.680 ( 0.000 -8.768 0.000) 8.768 14.293 ( 0.000 8.730 0.000) 8.730 14.559 ( 0.000 -1.871 0.000) 1.871 14.641 ( 0.000 0.926 0.000) 0.926 14.912 ( 0.000 -1.097 0.000) 1.097 15.002 ( 0.000 -6.579 0.000) 6.579 15.202 ( 0.000 3.468 0.000) 3.468 16.159 ( 0.000 6.846 0.000) 6.846 16.501 ( 0.000 7.326 0.000) 7.326 16.583 ( 0.000 -3.272 0.000) 3.272 17.031 ( 0.000 -1.445 0.000) 1.445 ======================= Grid point 19 (12/100) ======================= q-point: ( 0.12 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( 11.494 16.523 0.000) 20.128 1.078 ( 12.293 19.014 0.000) 22.642 1.802 ( 9.339 21.001 0.000) 22.984 1.941 ( 1.847 1.372 0.000) 2.301 2.104 ( -0.658 4.950 0.000) 4.994 2.180 ( -3.943 -1.920 0.000) 4.385 2.287 ( -1.772 4.382 0.000) 4.727 2.362 ( 3.184 -2.054 0.000) 3.789 2.567 ( -4.114 -14.439 0.000) 15.014 2.751 ( -3.059 -8.889 0.000) 9.401 2.955 ( -4.250 -5.837 0.000) 7.220 3.110 ( -2.563 -4.326 0.000) 5.029 3.565 ( -5.177 -2.248 0.000) 5.644 3.624 ( -2.922 -3.434 0.000) 4.509 3.735 ( -3.667 2.619 0.000) 4.506 4.003 ( -5.812 10.062 0.000) 11.620 4.441 ( 15.018 13.079 0.000) 19.915 4.610 ( 12.911 10.828 0.000) 16.850 5.171 ( -3.925 -5.099 0.000) 6.435 5.328 ( -0.840 -2.502 0.000) 2.639 5.539 ( -8.429 -5.425 0.000) 10.024 5.706 ( -1.747 -2.351 0.000) 2.929 6.047 ( -1.809 -13.165 0.000) 13.288 6.210 ( -0.247 -10.158 0.000) 10.161 6.461 ( -2.642 -2.864 0.000) 3.896 6.521 ( -1.437 3.760 0.000) 4.026 6.573 ( -5.753 3.352 0.000) 6.658 7.096 ( -7.908 -5.616 0.000) 9.699 7.202 ( -6.678 -4.590 0.000) 8.103 7.596 ( 4.190 -2.193 0.000) 4.730 7.698 ( 0.882 -3.039 0.000) 3.165 7.801 ( -0.599 0.551 0.000) 0.814 8.045 ( 8.501 6.294 0.000) 10.577 8.189 ( 2.612 -1.030 0.000) 2.808 8.864 ( 3.477 -2.673 0.000) 4.386 8.998 ( -0.602 -5.374 0.000) 5.408 9.731 ( 4.735 5.919 0.000) 7.580 9.785 ( -8.505 6.784 0.000) 10.879 10.183 ( 4.698 -0.199 0.000) 4.703 10.255 ( -1.899 11.301 0.000) 11.459 10.526 ( 3.762 6.379 0.000) 7.405 11.040 ( -4.638 1.064 0.000) 4.758 11.227 ( -1.588 -3.257 0.000) 3.624 11.298 ( -5.173 -3.998 0.000) 6.538 11.749 ( 7.409 11.779 0.000) 13.916 12.187 ( -1.355 -10.047 0.000) 10.138 12.382 ( 11.475 5.021 0.000) 12.525 12.749 ( -6.609 -21.369 0.000) 22.368 13.674 ( -1.148 -6.584 0.000) 6.684 13.762 ( 5.642 0.765 0.000) 5.693 14.325 ( 0.374 10.736 0.000) 10.742 14.440 ( -9.148 2.032 0.000) 9.371 14.594 ( 0.588 -1.889 0.000) 1.979 14.906 ( 0.440 0.136 0.000) 0.460 15.135 ( 6.411 -6.386 0.000) 9.049 15.242 ( 3.398 0.987 0.000) 3.538 16.185 ( 2.116 5.717 0.000) 6.096 16.398 ( -5.778 2.738 0.000) 6.394 16.635 ( 1.880 -0.735 0.000) 2.019 17.016 ( -1.459 -1.707 0.000) 2.245 ======================= Grid point 20 (13/100) ======================= q-point: ( 0.25 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( 12.167 12.303 0.000) 17.303 1.395 ( 16.505 14.144 0.000) 21.736 1.879 ( 0.422 -2.627 0.000) 2.661 2.026 ( -5.837 0.490 0.000) 5.857 2.074 ( 4.671 6.620 0.000) 8.102 2.193 ( 0.136 -5.720 0.000) 5.721 2.243 ( 0.677 6.712 0.000) 6.746 2.401 ( 1.675 1.364 0.000) 2.160 2.469 ( -3.961 -3.412 0.000) 5.228 2.672 ( -3.860 -1.997 0.000) 4.346 2.886 ( -2.069 -5.475 0.000) 5.853 3.040 ( -3.115 -2.796 0.000) 4.186 3.485 ( 1.475 -3.668 0.000) 3.954 3.658 ( 4.097 -8.949 0.000) 9.842 3.723 ( -0.047 -4.162 0.000) 4.162 3.911 ( -1.265 3.901 0.000) 4.100 4.655 ( 5.039 7.251 0.000) 8.830 4.851 ( 3.235 2.367 0.000) 4.008 5.095 ( 0.296 -1.449 0.000) 1.478 5.220 ( -7.481 -7.164 0.000) 10.358 5.401 ( -3.655 0.015 0.000) 3.655 5.651 ( -2.976 -3.314 0.000) 4.454 6.017 ( -1.022 -3.558 0.000) 3.702 6.154 ( -4.956 -1.464 0.000) 5.167 6.416 ( -0.831 -9.766 0.000) 9.802 6.455 ( -2.133 0.120 0.000) 2.136 6.525 ( 0.483 3.816 0.000) 3.846 6.938 ( -5.230 -4.781 0.000) 7.086 7.137 ( -1.952 -7.856 0.000) 8.095 7.616 ( -10.449 0.935 0.000) 10.491 7.662 ( 1.745 -1.566 0.000) 2.344 7.769 ( -0.934 -8.782 0.000) 8.831 8.222 ( 7.425 -0.295 0.000) 7.431 8.304 ( 8.412 8.228 0.000) 11.767 8.776 ( -8.480 4.346 0.000) 9.529 9.034 ( -0.253 -2.484 0.000) 2.496 9.623 ( -3.936 5.781 0.000) 6.994 9.931 ( 11.138 -2.468 0.000) 11.409 10.166 ( -3.530 8.292 0.000) 9.012 10.359 ( 9.895 -3.592 0.000) 10.527 10.622 ( 5.361 1.064 0.000) 5.465 10.941 ( -7.490 -1.937 0.000) 7.737 11.165 ( -2.567 -6.558 0.000) 7.043 11.176 ( -4.585 -2.580 0.000) 5.261 11.893 ( 4.497 8.084 0.000) 9.251 12.259 ( 9.382 -11.375 0.000) 14.745 12.485 ( -8.556 -15.557 0.000) 17.754 12.777 ( 16.236 6.756 0.000) 17.586 13.567 ( -9.626 -0.076 0.000) 9.627 13.890 ( 6.806 2.891 0.000) 7.395 14.158 ( -10.154 10.251 0.000) 14.429 14.432 ( 1.795 6.371 0.000) 6.619 14.610 ( 1.106 -0.523 0.000) 1.224 14.920 ( 0.663 0.857 0.000) 1.083 15.195 ( -0.324 -0.516 0.000) 0.610 15.308 ( 1.713 -2.141 0.000) 2.742 16.228 ( 1.923 2.560 0.000) 3.202 16.324 ( -0.963 -2.481 0.000) 2.661 16.653 ( 0.431 -0.916 0.000) 1.012 16.967 ( -3.309 -2.296 0.000) 4.028 ======================= Grid point 21 (14/100) ======================= q-point: ( 0.38 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( 11.015 7.155 0.000) 13.134 1.719 ( 12.956 10.911 0.000) 16.938 1.878 ( -1.825 -1.359 0.000) 2.275 1.900 ( -4.994 2.792 0.000) 5.721 2.062 ( -6.786 -3.826 0.000) 7.790 2.140 ( 3.487 4.219 0.000) 5.474 2.246 ( -3.976 1.027 0.000) 4.106 2.394 ( 0.409 -1.056 0.000) 1.133 2.435 ( -4.264 -4.594 0.000) 6.268 2.588 ( -4.624 -2.413 0.000) 5.216 2.914 ( 5.091 -0.600 0.000) 5.127 3.039 ( 1.989 1.851 0.000) 2.718 3.563 ( 3.826 -6.668 0.000) 7.687 3.675 ( -2.505 -1.717 0.000) 3.037 3.831 ( 11.997 -11.998 0.000) 16.967 4.003 ( 10.104 -6.746 0.000) 12.150 4.511 ( -15.713 -10.979 0.000) 19.169 4.745 ( -16.096 -7.936 0.000) 17.946 5.061 ( 5.083 -2.552 0.000) 5.687 5.269 ( 3.736 3.731 0.000) 5.280 5.415 ( 4.447 2.248 0.000) 4.983 5.598 ( -1.672 1.935 0.000) 2.557 5.985 ( -2.166 3.628 0.000) 4.225 6.039 ( -5.064 0.410 0.000) 5.081 6.426 ( 1.885 -8.448 0.000) 8.656 6.476 ( 1.503 -2.290 0.000) 2.740 6.588 ( 7.422 0.176 0.000) 7.424 6.888 ( 0.631 -7.515 0.000) 7.541 7.067 ( -5.623 -5.696 0.000) 8.004 7.310 ( -16.559 -0.787 0.000) 16.577 7.686 ( 0.616 -4.825 0.000) 4.864 7.735 ( -2.325 -11.945 0.000) 12.169 8.359 ( 6.003 0.063 0.000) 6.003 8.496 ( 9.110 10.932 0.000) 14.230 8.608 ( -6.779 4.733 0.000) 8.267 8.918 ( -9.570 4.589 0.000) 10.613 9.653 ( 6.560 6.351 0.000) 9.130 10.033 ( -6.476 12.438 0.000) 14.023 10.196 ( 10.086 -9.384 0.000) 13.776 10.555 ( 0.346 -10.748 0.000) 10.754 10.662 ( 3.767 -5.053 0.000) 6.303 10.894 ( 6.873 -2.429 0.000) 7.290 11.056 ( -7.000 -3.888 0.000) 8.008 11.148 ( -1.313 -4.830 0.000) 5.006 11.954 ( 2.457 -4.838 0.000) 5.426 12.217 ( -11.033 -18.960 0.000) 21.936 12.584 ( 16.204 -1.797 0.000) 16.303 13.176 ( 17.721 10.322 0.000) 20.508 13.300 ( -12.944 7.370 0.000) 14.895 13.908 ( -11.726 14.111 0.000) 18.347 14.079 ( 8.197 0.689 0.000) 8.225 14.410 ( -4.305 2.657 0.000) 5.059 14.674 ( 5.253 5.850 0.000) 7.863 14.910 ( -2.473 1.936 0.000) 3.140 15.170 ( -0.576 2.841 0.000) 2.899 15.287 ( -3.365 -0.617 0.000) 3.421 16.280 ( 2.779 -3.599 0.000) 4.547 16.326 ( 0.342 -4.243 0.000) 4.257 16.678 ( 2.503 -1.578 0.000) 2.959 16.877 ( -5.129 -2.739 0.000) 5.814 ======================= Grid point 22 (15/100) ======================= q-point: (-0.50 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.737 ( -8.936 1.603 0.000) 9.078 1.737 ( 8.936 1.603 0.000) 9.078 1.850 ( -0.566 6.633 0.000) 6.657 1.850 ( 0.566 6.633 0.000) 6.657 2.089 ( -7.861 2.023 0.000) 8.117 2.089 ( 7.861 2.023 0.000) 8.117 2.277 ( -8.152 0.515 0.000) 8.168 2.277 ( 8.152 0.515 0.000) 8.168 2.476 ( -4.110 -5.819 0.000) 7.124 2.476 ( 4.110 -5.819 0.000) 7.124 3.026 ( -1.960 1.319 0.000) 2.363 3.026 ( 1.960 1.319 0.000) 2.363 3.625 ( -1.010 -3.513 0.000) 3.655 3.625 ( 1.010 -3.513 0.000) 3.655 4.150 ( -16.683 -13.420 0.000) 21.411 4.150 ( 16.683 -13.420 0.000) 21.411 4.331 ( -19.399 -11.821 0.000) 22.717 4.331 ( 19.399 -11.821 0.000) 22.717 5.219 ( -4.299 -0.794 0.000) 4.372 5.219 ( 4.299 -0.794 0.000) 4.372 5.540 ( -4.858 5.141 0.000) 7.073 5.540 ( 4.858 5.141 0.000) 7.073 5.967 ( -1.214 2.973 0.000) 3.211 5.967 ( 1.214 2.973 0.000) 3.211 6.471 ( -0.199 -4.130 0.000) 4.135 6.471 ( 0.199 -4.130 0.000) 4.135 6.826 ( -8.770 -5.060 0.000) 10.125 6.826 ( 8.770 -5.060 0.000) 10.125 7.024 ( -4.746 -4.274 0.000) 6.387 7.024 ( 4.746 -4.274 0.000) 6.387 7.698 ( -0.029 -10.077 0.000) 10.077 7.698 ( 0.029 -10.077 0.000) 10.077 8.479 ( -0.760 3.432 0.000) 3.515 8.479 ( 0.760 3.432 0.000) 3.515 8.700 ( -4.998 8.760 0.000) 10.086 8.700 ( 4.998 8.760 0.000) 10.086 9.844 ( -9.980 9.787 0.000) 13.978 9.844 ( 9.980 9.787 0.000) 13.978 10.398 ( -7.841 -10.999 0.000) 13.507 10.398 ( 7.841 -10.999 0.000) 13.507 10.873 ( -5.484 -4.791 0.000) 7.281 10.873 ( 5.484 -4.791 0.000) 7.281 11.064 ( -3.470 -5.219 0.000) 6.267 11.064 ( 3.470 -5.219 0.000) 6.267 12.033 ( -3.675 -13.278 0.000) 13.777 12.033 ( 3.675 -13.278 0.000) 13.777 12.939 ( -16.072 1.899 0.000) 16.184 12.939 ( 16.072 1.899 0.000) 16.184 13.594 ( -16.155 15.275 0.000) 22.233 13.594 ( 16.155 15.275 0.000) 22.233 14.269 ( -5.912 1.739 0.000) 6.163 14.269 ( 5.912 1.739 0.000) 6.163 14.807 ( -2.522 5.361 0.000) 5.924 14.807 ( 2.522 5.361 0.000) 5.924 15.204 ( -0.835 1.422 0.000) 1.649 15.204 ( 0.835 1.422 0.000) 1.649 16.322 ( -0.487 -5.242 0.000) 5.265 16.322 ( 0.487 -5.242 0.000) 5.265 16.763 ( -4.177 -2.458 0.000) 4.846 16.763 ( 4.177 -2.458 0.000) 4.846 ======================= Grid point 27 (16/100) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.255 ( 0.000 18.097 0.000) 18.097 1.343 ( 0.000 18.610 0.000) 18.610 1.897 ( 0.000 0.062 0.000) 0.062 2.052 ( 0.000 -0.081 0.000) 0.081 2.101 ( 0.000 -12.653 0.000) 12.653 2.154 ( 0.000 -4.503 0.000) 4.503 2.279 ( 0.000 8.446 0.000) 8.446 2.301 ( 0.000 -5.331 0.000) 5.331 2.507 ( 0.000 5.198 0.000) 5.198 2.632 ( 0.000 -7.260 0.000) 7.260 2.952 ( 0.000 3.811 0.000) 3.811 3.036 ( 0.000 -3.429 0.000) 3.429 3.461 ( 0.000 -5.323 0.000) 5.323 3.611 ( 0.000 -3.423 0.000) 3.423 4.160 ( 0.000 12.483 0.000) 12.483 4.350 ( 0.000 13.424 0.000) 13.424 4.551 ( 0.000 6.620 0.000) 6.620 4.569 ( 0.000 20.484 0.000) 20.484 5.161 ( 0.000 -3.154 0.000) 3.154 5.268 ( 0.000 -5.485 0.000) 5.485 5.473 ( 0.000 -15.347 0.000) 15.347 5.541 ( 0.000 -10.101 0.000) 10.101 5.736 ( 0.000 -15.699 0.000) 15.699 5.873 ( 0.000 -16.586 0.000) 16.586 6.439 ( 0.000 -2.011 0.000) 2.011 6.544 ( 0.000 -3.043 0.000) 3.043 6.752 ( 0.000 3.437 0.000) 3.437 6.988 ( 0.000 -9.290 0.000) 9.290 7.355 ( 0.000 -3.426 0.000) 3.426 7.356 ( 0.000 -0.966 0.000) 0.966 7.799 ( 0.000 4.482 0.000) 4.482 7.857 ( 0.000 1.530 0.000) 1.530 8.062 ( 0.000 8.628 0.000) 8.628 8.182 ( 0.000 1.527 0.000) 1.527 8.690 ( 0.000 -0.551 0.000) 0.551 8.884 ( 0.000 -7.073 0.000) 7.073 9.886 ( 0.000 11.025 0.000) 11.025 10.130 ( 0.000 5.661 0.000) 5.661 10.305 ( 0.000 16.776 0.000) 16.776 10.485 ( 0.000 10.131 0.000) 10.131 10.679 ( 0.000 10.543 0.000) 10.543 11.037 ( 0.000 -6.785 0.000) 6.785 11.163 ( 0.000 -5.356 0.000) 5.356 11.319 ( 0.000 -1.767 0.000) 1.767 11.763 ( 0.000 -1.716 0.000) 1.716 12.205 ( 0.000 4.792 0.000) 4.792 12.310 ( 0.000 2.810 0.000) 2.810 12.400 ( 0.000 -15.532 0.000) 15.532 13.491 ( 0.000 -9.933 0.000) 9.933 13.568 ( 0.000 -8.235 0.000) 8.235 14.496 ( 0.000 10.141 0.000) 10.141 14.523 ( 0.000 -1.331 0.000) 1.331 14.631 ( 0.000 -2.127 0.000) 2.127 14.873 ( 0.000 -5.912 0.000) 5.912 14.929 ( 0.000 3.637 0.000) 3.637 15.254 ( 0.000 0.425 0.000) 0.425 16.247 ( 0.000 3.228 0.000) 3.228 16.504 ( 0.000 -4.608 0.000) 4.608 16.670 ( 0.000 8.788 0.000) 8.788 16.993 ( 0.000 -2.436 0.000) 2.436 ======================= Grid point 28 (17/100) ======================= q-point: ( 0.12 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.333 ( 7.146 15.291 0.000) 16.878 1.439 ( 8.429 17.011 0.000) 18.984 1.886 ( -1.154 0.849 0.000) 1.433 2.053 ( -1.879 -5.546 0.000) 5.856 2.104 ( 1.073 -3.658 0.000) 3.812 2.193 ( 2.109 -4.476 0.000) 4.948 2.234 ( -0.771 0.059 0.000) 0.773 2.333 ( 1.225 -1.800 0.000) 2.177 2.475 ( -2.248 3.137 0.000) 3.859 2.619 ( -1.153 -6.280 0.000) 6.385 2.916 ( -2.239 4.610 0.000) 5.125 3.034 ( -0.881 -1.806 0.000) 2.010 3.446 ( -0.606 -4.728 0.000) 4.766 3.595 ( -1.759 -2.767 0.000) 3.279 3.899 ( -15.433 12.437 0.000) 19.820 4.236 ( -9.931 12.983 0.000) 16.345 4.621 ( 10.164 7.131 0.000) 12.416 4.840 ( 8.372 8.080 0.000) 11.635 5.040 ( -5.598 -6.775 0.000) 8.789 5.208 ( -7.954 -10.226 0.000) 12.955 5.449 ( 0.509 -3.961 0.000) 3.993 5.523 ( -1.982 -13.351 0.000) 13.497 5.819 ( 6.827 -8.547 0.000) 10.939 5.936 ( 4.786 -14.480 0.000) 15.250 6.416 ( -2.317 -1.535 0.000) 2.780 6.556 ( 0.905 -2.598 0.000) 2.751 6.619 ( -9.760 3.215 0.000) 10.276 6.932 ( -4.796 -8.877 0.000) 10.090 7.234 ( -7.561 5.315 0.000) 9.242 7.476 ( 5.621 -4.748 0.000) 7.358 7.740 ( -3.232 2.090 0.000) 3.849 7.816 ( -3.211 0.290 0.000) 3.224 8.160 ( 2.550 4.548 0.000) 5.214 8.246 ( 9.434 5.906 0.000) 11.131 8.825 ( 10.050 -0.935 0.000) 10.094 8.872 ( -1.378 -6.903 0.000) 7.039 9.893 ( -1.999 7.195 0.000) 7.468 9.981 ( -8.244 12.102 0.000) 14.643 10.188 ( -7.052 3.695 0.000) 7.962 10.500 ( 0.506 13.191 0.000) 13.201 10.677 ( -0.775 7.500 0.000) 7.540 10.997 ( -4.573 -6.670 0.000) 8.087 11.120 ( -3.064 -4.975 0.000) 5.843 11.220 ( -6.799 -3.574 0.000) 7.682 11.882 ( 6.674 -8.936 0.000) 11.153 12.107 ( -2.480 12.567 0.000) 12.809 12.310 ( -5.775 -18.641 0.000) 19.515 12.559 ( 16.539 8.034 0.000) 18.387 13.513 ( 2.448 -8.124 0.000) 8.484 13.711 ( 10.287 -6.269 0.000) 12.047 14.470 ( -5.913 0.713 0.000) 5.956 14.527 ( 2.414 8.750 0.000) 9.076 14.565 ( -2.156 -0.226 0.000) 2.167 14.937 ( 0.930 3.696 0.000) 3.811 14.987 ( 7.459 -7.714 0.000) 10.730 15.263 ( 0.727 -0.520 0.000) 0.894 16.251 ( 0.288 2.156 0.000) 2.175 16.421 ( -6.409 -1.390 0.000) 6.558 16.685 ( 0.423 5.543 0.000) 5.559 16.973 ( -1.944 -2.694 0.000) 3.323 ======================= Grid point 29 (18/100) ======================= q-point: ( 0.25 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.511 ( 8.358 10.904 0.000) 13.739 1.661 ( 11.715 11.920 0.000) 16.714 1.854 ( -1.353 0.585 0.000) 1.474 2.003 ( -2.686 -5.283 0.000) 5.926 2.064 ( -4.063 -1.890 0.000) 4.481 2.185 ( -0.074 2.045 0.000) 2.047 2.312 ( 2.365 -3.129 0.000) 3.922 2.321 ( -0.473 -3.034 0.000) 3.070 2.464 ( 0.373 1.154 0.000) 1.213 2.581 ( -2.638 -8.038 0.000) 8.460 2.878 ( -1.402 3.011 0.000) 3.321 3.027 ( 1.927 2.770 0.000) 3.374 3.455 ( 1.317 -3.961 0.000) 4.174 3.522 ( -3.947 0.327 0.000) 3.960 3.681 ( -4.748 0.825 0.000) 4.819 4.053 ( -6.741 9.125 0.000) 11.345 4.610 ( -15.770 -12.543 0.000) 20.150 4.855 ( 2.660 2.379 0.000) 3.569 4.954 ( -10.048 -13.387 0.000) 16.739 5.184 ( 8.015 0.164 0.000) 8.017 5.394 ( -1.388 -0.479 0.000) 1.469 5.591 ( 4.981 -0.617 0.000) 5.019 5.964 ( 6.156 -4.105 0.000) 7.399 6.033 ( 3.729 -7.361 0.000) 8.251 6.325 ( -6.011 0.241 0.000) 6.016 6.447 ( -4.584 -0.929 0.000) 4.678 6.580 ( 0.728 1.247 0.000) 1.444 6.821 ( -5.203 -6.112 0.000) 8.026 7.071 ( -6.718 2.292 0.000) 7.099 7.523 ( -3.805 -6.556 0.000) 7.580 7.652 ( -7.209 -0.087 0.000) 7.209 7.702 ( -5.312 -2.140 0.000) 5.727 8.244 ( 6.264 2.337 0.000) 6.685 8.458 ( 9.213 4.621 0.000) 10.307 8.794 ( -4.034 -0.531 0.000) 4.069 9.021 ( 5.202 -0.281 0.000) 5.210 9.735 ( -4.978 6.988 0.000) 8.579 9.979 ( 2.770 7.026 0.000) 7.552 10.172 ( 5.899 -6.030 0.000) 8.436 10.473 ( -4.597 11.997 0.000) 12.848 10.605 ( -6.603 -5.297 0.000) 8.466 10.861 ( -2.857 -1.762 0.000) 3.356 11.086 ( -5.651 -6.316 0.000) 8.475 11.109 ( -0.406 0.277 0.000) 0.492 11.870 ( -3.377 -9.748 0.000) 10.317 12.076 ( -9.102 -15.721 0.000) 18.166 12.347 ( 14.519 12.977 0.000) 19.473 12.951 ( 18.969 5.987 0.000) 19.892 13.550 ( 0.051 0.193 0.000) 0.200 13.912 ( 8.493 -1.491 0.000) 8.623 14.316 ( -8.001 5.399 0.000) 9.652 14.497 ( -3.077 -2.207 0.000) 3.787 14.639 ( 5.953 6.517 0.000) 8.827 14.957 ( 0.791 3.303 0.000) 3.397 15.116 ( 4.112 -6.517 0.000) 7.706 15.277 ( 0.293 -2.267 0.000) 2.286 16.252 ( -0.548 0.061 0.000) 0.551 16.292 ( -4.677 -0.922 0.000) 4.767 16.675 ( -1.047 2.968 0.000) 3.147 16.912 ( -3.874 -3.244 0.000) 5.053 ======================= Grid point 30 (19/100) ======================= q-point: ( 0.38 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( 4.572 5.387 0.000) 7.065 1.799 ( -1.065 -2.012 0.000) 2.276 1.888 ( 2.969 1.283 0.000) 3.234 1.972 ( -2.317 -5.434 0.000) 5.908 2.009 ( 5.224 8.982 0.000) 10.390 2.208 ( 1.345 2.695 0.000) 3.012 2.275 ( -1.316 1.532 0.000) 2.020 2.354 ( 0.072 -3.379 0.000) 3.380 2.420 ( -4.392 2.680 0.000) 5.145 2.494 ( -5.635 -6.103 0.000) 8.306 2.908 ( 5.340 0.711 0.000) 5.387 3.101 ( 2.267 2.840 0.000) 3.634 3.457 ( 0.904 -1.869 0.000) 2.076 3.580 ( 5.507 -10.642 0.000) 11.983 3.622 ( 1.160 -4.496 0.000) 4.644 3.987 ( 1.065 2.743 0.000) 2.943 4.248 ( -17.200 -14.258 0.000) 22.341 4.519 ( -20.229 -13.741 0.000) 24.454 5.083 ( 8.584 3.959 0.000) 9.453 5.280 ( 0.887 -1.299 0.000) 1.573 5.445 ( 5.993 1.803 0.000) 6.258 5.662 ( 0.707 1.981 0.000) 2.104 6.020 ( -1.350 -1.582 0.000) 2.079 6.056 ( -1.181 0.646 0.000) 1.346 6.299 ( 4.814 -1.532 0.000) 5.052 6.415 ( 1.153 -3.926 0.000) 4.092 6.595 ( 1.449 0.772 0.000) 1.642 6.738 ( -2.469 -5.824 0.000) 6.326 6.952 ( -5.246 -5.484 0.000) 7.589 7.239 ( -18.435 -6.866 0.000) 19.672 7.548 ( -3.163 -5.101 0.000) 6.002 7.604 ( -4.415 -5.067 0.000) 6.720 8.386 ( 7.135 2.871 0.000) 7.691 8.633 ( 4.888 0.322 0.000) 4.898 8.730 ( -0.065 9.256 0.000) 9.256 9.014 ( -4.603 3.731 0.000) 5.925 9.773 ( 7.654 5.790 0.000) 9.597 10.087 ( 6.703 -0.983 0.000) 6.775 10.249 ( -9.488 6.474 0.000) 11.486 10.289 ( -2.727 -13.476 0.000) 13.749 10.580 ( 5.783 -2.082 0.000) 6.146 10.886 ( 2.041 0.663 0.000) 2.146 10.952 ( -5.617 -5.363 0.000) 7.766 11.084 ( -2.878 -1.077 0.000) 3.073 11.819 ( -1.447 -8.290 0.000) 8.415 11.894 ( -6.627 -13.010 0.000) 14.601 12.692 ( 16.936 11.011 0.000) 20.201 13.218 ( 0.585 -1.627 0.000) 1.729 13.579 ( 8.278 15.377 0.000) 17.463 14.078 ( 3.870 -0.348 0.000) 3.885 14.140 ( -5.479 8.118 0.000) 9.793 14.417 ( -4.879 -2.325 0.000) 5.405 14.770 ( 6.278 4.945 0.000) 7.992 14.956 ( -1.311 2.951 0.000) 3.229 15.164 ( 1.313 -3.185 0.000) 3.445 15.260 ( -2.121 -2.517 0.000) 3.292 16.222 ( -0.670 -2.069 0.000) 2.175 16.251 ( -0.941 -3.136 0.000) 3.274 16.665 ( 0.664 0.346 0.000) 0.749 16.815 ( -5.086 -3.395 0.000) 6.115 ======================= Grid point 31 (20/100) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.731 ( -3.297 -0.822 0.000) 3.398 1.731 ( 3.297 -0.822 0.000) 3.398 1.925 ( -1.727 -0.535 0.000) 1.808 1.925 ( 1.727 -0.535 0.000) 1.808 2.168 ( -2.481 5.034 0.000) 5.612 2.168 ( 2.481 5.034 0.000) 5.612 2.303 ( -3.916 1.554 0.000) 4.213 2.303 ( 3.916 1.554 0.000) 4.213 2.393 ( -3.093 -1.424 0.000) 3.405 2.393 ( 3.093 -1.424 0.000) 3.405 3.051 ( -2.853 1.311 0.000) 3.140 3.051 ( 2.853 1.311 0.000) 3.140 3.523 ( -2.132 -6.037 0.000) 6.402 3.523 ( 2.132 -6.037 0.000) 6.402 3.882 ( -14.820 -13.796 0.000) 20.248 3.882 ( 14.820 -13.796 0.000) 20.248 4.151 ( -12.700 -5.511 0.000) 13.844 4.151 ( 12.700 -5.511 0.000) 13.844 5.231 ( -2.409 2.043 0.000) 3.158 5.231 ( 2.409 2.043 0.000) 3.158 5.595 ( -6.472 1.265 0.000) 6.594 5.595 ( 6.472 1.265 0.000) 6.594 6.014 ( -0.940 0.399 0.000) 1.021 6.014 ( 0.940 0.399 0.000) 1.021 6.414 ( -0.481 -1.270 0.000) 1.358 6.414 ( 0.481 -1.270 0.000) 1.358 6.675 ( -1.702 -7.734 0.000) 7.919 6.675 ( 1.702 -7.734 0.000) 7.919 6.929 ( -3.223 -5.999 0.000) 6.810 6.929 ( 3.223 -5.999 0.000) 6.810 7.533 ( -0.151 -6.152 0.000) 6.154 7.533 ( 0.151 -6.152 0.000) 6.154 8.545 ( -1.797 4.159 0.000) 4.531 8.545 ( 1.797 4.159 0.000) 4.531 8.875 ( -3.096 6.688 0.000) 7.370 8.875 ( 3.096 6.688 0.000) 7.370 9.990 ( -11.913 2.165 0.000) 12.109 9.990 ( 11.913 2.165 0.000) 12.109 10.220 ( -2.276 -3.674 0.000) 4.322 10.220 ( 2.276 -3.674 0.000) 4.322 10.761 ( -4.614 -6.660 0.000) 8.102 10.761 ( 4.614 -6.660 0.000) 8.102 10.996 ( -1.272 -0.355 0.000) 1.321 10.996 ( 1.272 -0.355 0.000) 1.321 11.814 ( -0.263 -9.123 0.000) 9.127 11.814 ( 0.263 -9.123 0.000) 9.127 13.027 ( -13.958 6.115 0.000) 15.238 13.027 ( 13.958 6.115 0.000) 15.238 13.858 ( -11.733 10.920 0.000) 16.029 13.858 ( 11.733 10.920 0.000) 16.029 14.281 ( -4.759 -0.612 0.000) 4.798 14.281 ( 4.759 -0.612 0.000) 4.798 14.890 ( -1.516 3.670 0.000) 3.971 14.890 ( 1.516 3.670 0.000) 3.971 15.203 ( -0.337 -1.798 0.000) 1.830 15.203 ( 0.337 -1.798 0.000) 1.830 16.230 ( -0.184 -3.707 0.000) 3.712 16.230 ( 0.184 -3.707 0.000) 3.712 16.715 ( -2.950 -2.226 0.000) 3.696 16.715 ( 2.950 -2.226 0.000) 3.696 ======================= Grid point 36 (21/100) ======================= q-point: ( 0.00 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( 0.000 14.223 0.000) 14.223 1.644 ( 0.000 10.173 0.000) 10.173 1.855 ( 0.000 -3.706 0.000) 3.706 1.912 ( 0.000 -9.330 0.000) 9.330 2.000 ( 0.000 0.729 0.000) 0.729 2.036 ( 0.000 -5.530 0.000) 5.530 2.217 ( 0.000 -0.454 0.000) 0.454 2.331 ( 0.000 -6.951 0.000) 6.951 2.513 ( 0.000 1.489 0.000) 1.489 2.567 ( 0.000 -0.580 0.000) 0.580 3.027 ( 0.000 2.760 0.000) 2.760 3.075 ( 0.000 1.478 0.000) 1.478 3.429 ( 0.000 3.268 0.000) 3.268 3.529 ( 0.000 -5.027 0.000) 5.027 4.455 ( 0.000 17.423 0.000) 17.423 4.580 ( 0.000 7.788 0.000) 7.788 4.692 ( 0.000 6.069 0.000) 6.069 4.866 ( 0.000 -0.555 0.000) 0.555 5.051 ( 0.000 -5.535 0.000) 5.535 5.101 ( 0.000 -1.875 0.000) 1.875 5.219 ( 0.000 -7.236 0.000) 7.236 5.302 ( 0.000 -12.808 0.000) 12.808 5.553 ( 0.000 -2.650 0.000) 2.650 5.616 ( 0.000 -8.604 0.000) 8.604 6.427 ( 0.000 0.981 0.000) 0.981 6.474 ( 0.000 -3.421 0.000) 3.421 6.783 ( 0.000 1.157 0.000) 1.157 6.840 ( 0.000 -5.196 0.000) 5.196 7.333 ( 0.000 0.340 0.000) 0.340 7.345 ( 0.000 -0.531 0.000) 0.531 7.851 ( 0.000 1.505 0.000) 1.505 7.868 ( 0.000 -0.271 0.000) 0.271 8.194 ( 0.000 3.678 0.000) 3.678 8.213 ( 0.000 1.022 0.000) 1.022 8.720 ( 0.000 2.760 0.000) 2.760 8.781 ( 0.000 -3.605 0.000) 3.605 10.063 ( 0.000 7.185 0.000) 7.185 10.163 ( 0.000 -2.308 0.000) 2.308 10.664 ( 0.000 7.940 0.000) 7.940 10.680 ( 0.000 15.179 0.000) 15.179 10.851 ( 0.000 4.249 0.000) 4.249 10.960 ( 0.000 5.361 0.000) 5.361 11.024 ( 0.000 -8.950 0.000) 8.950 11.206 ( 0.000 -12.034 0.000) 12.034 11.719 ( 0.000 4.116 0.000) 4.116 11.960 ( 0.000 -18.170 0.000) 18.170 12.409 ( 0.000 10.939 0.000) 10.939 12.498 ( 0.000 3.465 0.000) 3.465 13.336 ( 0.000 -3.643 0.000) 3.643 13.393 ( 0.000 -8.015 0.000) 8.015 14.520 ( 0.000 1.192 0.000) 1.192 14.567 ( 0.000 -3.173 0.000) 3.173 14.661 ( 0.000 6.174 0.000) 6.174 14.767 ( 0.000 -5.036 0.000) 5.036 15.055 ( 0.000 8.148 0.000) 8.148 15.201 ( 0.000 -5.684 0.000) 5.684 16.317 ( 0.000 4.085 0.000) 4.085 16.408 ( 0.000 -4.988 0.000) 4.988 16.824 ( 0.000 6.628 0.000) 6.628 16.929 ( 0.000 -4.182 0.000) 4.182 ======================= Grid point 37 (22/100) ======================= q-point: ( 0.12 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.602 ( 2.563 11.144 0.000) 11.435 1.700 ( 3.976 5.587 0.000) 6.857 1.882 ( 2.592 0.522 0.000) 2.644 1.980 ( -0.566 -0.764 0.000) 0.951 2.009 ( 5.934 -3.088 0.000) 6.689 2.072 ( 3.490 -5.056 0.000) 6.143 2.187 ( -2.099 -1.782 0.000) 2.753 2.289 ( -3.210 -7.882 0.000) 8.511 2.482 ( -2.647 2.798 0.000) 3.852 2.552 ( -1.581 -2.211 0.000) 2.718 3.003 ( -1.944 4.231 0.000) 4.656 3.069 ( -0.638 0.081 0.000) 0.643 3.423 ( -0.563 3.099 0.000) 3.150 3.518 ( -1.025 -4.944 0.000) 5.049 4.211 ( -16.511 18.670 0.000) 24.924 4.463 ( -11.639 4.220 0.000) 12.380 4.706 ( -11.423 -2.308 0.000) 11.653 4.813 ( 0.795 1.109 0.000) 1.365 4.929 ( -13.363 -13.576 0.000) 19.050 4.971 ( 6.380 -5.319 0.000) 8.307 5.385 ( 5.666 -0.302 0.000) 5.674 5.401 ( 6.655 -0.750 0.000) 6.697 5.685 ( 9.334 -3.632 0.000) 10.016 5.727 ( 11.332 -6.585 0.000) 13.107 6.413 ( -1.638 1.479 0.000) 2.207 6.474 ( -0.630 -4.360 0.000) 4.406 6.686 ( -6.342 3.775 0.000) 7.381 6.782 ( -4.354 -6.176 0.000) 7.557 7.340 ( -1.590 4.577 0.000) 4.845 7.409 ( 3.571 -2.828 0.000) 4.555 7.772 ( -5.072 1.577 0.000) 5.311 7.803 ( -4.924 -1.385 0.000) 5.115 8.254 ( 1.883 5.043 0.000) 5.383 8.320 ( 7.546 -0.181 0.000) 7.549 8.786 ( 1.716 -0.984 0.000) 1.978 8.805 ( 7.467 -1.515 0.000) 7.619 10.002 ( -4.911 3.940 0.000) 6.297 10.052 ( -6.648 -1.286 0.000) 6.771 10.446 ( -15.744 16.194 0.000) 22.586 10.690 ( -8.852 -5.321 0.000) 10.328 10.806 ( -0.756 12.628 0.000) 12.651 10.911 ( -3.101 3.846 0.000) 4.940 11.011 ( 0.859 -6.929 0.000) 6.982 11.103 ( -5.973 -10.431 0.000) 12.020 11.758 ( 0.819 1.016 0.000) 1.305 11.932 ( -3.982 -14.846 0.000) 15.370 12.449 ( 6.215 15.287 0.000) 16.502 12.645 ( 12.018 -2.464 0.000) 12.268 13.424 ( 8.262 1.079 0.000) 8.333 13.547 ( 12.077 -9.179 0.000) 15.170 14.486 ( -3.357 1.385 0.000) 3.631 14.525 ( -3.350 -2.229 0.000) 4.024 14.702 ( 3.695 7.439 0.000) 8.306 14.841 ( 5.799 -7.024 0.000) 9.109 15.057 ( 0.197 7.712 0.000) 7.715 15.200 ( -0.142 -5.823 0.000) 5.824 16.299 ( -1.583 2.969 0.000) 3.364 16.366 ( -3.732 -3.501 0.000) 5.117 16.806 ( -1.733 5.917 0.000) 6.166 16.906 ( -2.221 -4.193 0.000) 4.745 ======================= Grid point 38 (23/100) ======================= q-point: ( 0.25 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.676 ( 3.502 5.753 0.000) 6.735 1.770 ( 1.675 -3.108 0.000) 3.531 1.925 ( -0.051 5.168 0.000) 5.168 1.936 ( -1.952 2.712 0.000) 3.342 2.087 ( 0.911 2.938 0.000) 3.076 2.167 ( 2.353 -3.352 0.000) 4.095 2.200 ( 5.650 -2.753 0.000) 6.284 2.280 ( 3.451 -8.351 0.000) 9.036 2.421 ( -2.508 2.540 0.000) 3.570 2.500 ( -3.227 -3.400 0.000) 4.687 2.962 ( -1.418 6.035 0.000) 6.199 3.062 ( 0.506 -2.070 0.000) 2.131 3.409 ( -0.469 1.529 0.000) 1.599 3.489 ( -1.707 -4.695 0.000) 4.995 3.874 ( -14.296 17.068 0.000) 22.264 4.195 ( -13.429 -5.253 0.000) 14.420 4.359 ( -15.722 -1.194 0.000) 15.767 4.594 ( -16.319 -16.776 0.000) 23.404 4.986 ( 9.193 6.098 0.000) 11.032 5.110 ( 6.725 -6.154 0.000) 9.116 5.433 ( 2.793 4.709 0.000) 5.475 5.549 ( 5.052 -5.385 0.000) 7.384 5.903 ( 9.639 1.157 0.000) 9.708 5.958 ( 8.424 -2.982 0.000) 8.936 6.350 ( -3.801 2.087 0.000) 4.336 6.407 ( -4.912 -3.158 0.000) 5.840 6.616 ( -0.326 3.545 0.000) 3.560 6.709 ( -2.403 -5.365 0.000) 5.879 7.200 ( -11.758 9.119 0.000) 14.880 7.379 ( -8.652 -8.373 0.000) 12.040 7.647 ( -8.074 0.031 0.000) 8.074 7.663 ( -7.675 -1.598 0.000) 7.840 8.312 ( 5.320 4.710 0.000) 7.106 8.426 ( 4.526 -5.945 0.000) 7.472 8.861 ( 4.643 6.694 0.000) 8.146 8.981 ( 6.535 -4.253 0.000) 7.797 9.890 ( -3.000 7.843 0.000) 8.397 10.027 ( 2.157 -5.876 0.000) 6.260 10.176 ( -7.148 9.367 0.000) 11.783 10.383 ( -13.898 -11.376 0.000) 17.960 10.750 ( -5.607 11.472 0.000) 12.769 10.913 ( -1.525 0.848 0.000) 1.745 10.954 ( -2.043 -1.782 0.000) 2.711 11.081 ( 1.346 -5.031 0.000) 5.207 11.728 ( -2.568 -2.104 0.000) 3.320 11.810 ( -6.304 -9.672 0.000) 11.545 12.664 ( 12.879 16.216 0.000) 20.708 12.925 ( 13.032 -8.689 0.000) 15.663 13.637 ( 11.041 8.354 0.000) 13.846 13.814 ( 12.124 -8.016 0.000) 14.534 14.387 ( -5.766 2.510 0.000) 6.289 14.437 ( -4.908 -2.829 0.000) 5.665 14.796 ( 4.727 8.413 0.000) 9.650 14.960 ( 4.573 -8.004 0.000) 9.218 15.064 ( 0.662 6.353 0.000) 6.388 15.195 ( -0.341 -5.954 0.000) 5.964 16.255 ( -2.457 0.544 0.000) 2.517 16.273 ( -4.482 -1.071 0.000) 4.608 16.753 ( -3.133 4.472 0.000) 5.460 16.839 ( -4.036 -4.112 0.000) 5.762 ======================= Grid point 39 (24/100) ======================= q-point: ( 0.38 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( 0.315 2.511 0.000) 2.530 1.793 ( 1.826 -4.379 0.000) 4.744 1.845 ( -4.691 2.391 0.000) 5.265 1.913 ( -2.414 -1.939 0.000) 3.097 2.162 ( 4.898 4.737 0.000) 6.814 2.220 ( 1.339 -1.678 0.000) 2.147 2.295 ( 2.757 1.122 0.000) 2.977 2.327 ( 1.800 -1.372 0.000) 2.264 2.397 ( -0.854 0.447 0.000) 0.964 2.448 ( -1.175 -1.886 0.000) 2.222 2.977 ( 3.508 6.266 0.000) 7.181 3.095 ( 1.889 -3.765 0.000) 4.212 3.422 ( 1.779 -3.120 0.000) 3.592 3.446 ( -2.033 -3.145 0.000) 3.745 3.642 ( -7.232 9.251 0.000) 11.742 3.904 ( -13.934 -14.550 0.000) 20.146 4.121 ( -6.345 5.045 0.000) 8.106 4.275 ( -12.954 -10.199 0.000) 16.487 5.172 ( 7.768 4.206 0.000) 8.833 5.239 ( 4.928 -2.730 0.000) 5.634 5.511 ( 4.432 4.929 0.000) 6.628 5.621 ( 1.578 -5.317 0.000) 5.547 6.003 ( -0.207 1.069 0.000) 1.089 6.039 ( -0.429 -1.949 0.000) 1.996 6.330 ( 2.988 2.116 0.000) 3.662 6.356 ( 1.090 -1.532 0.000) 1.880 6.619 ( -0.657 1.450 0.000) 1.592 6.663 ( -2.559 -2.927 0.000) 3.888 6.908 ( -13.079 2.997 0.000) 13.418 7.058 ( -18.039 -10.193 0.000) 20.720 7.497 ( -4.897 -0.457 0.000) 4.918 7.523 ( -5.126 -2.928 0.000) 5.903 8.468 ( 8.774 5.220 0.000) 10.210 8.576 ( 8.202 -5.069 0.000) 9.642 8.908 ( -0.358 8.366 0.000) 8.374 9.028 ( -1.850 -2.844 0.000) 3.393 9.882 ( 1.335 5.326 0.000) 5.491 10.014 ( -3.886 -8.843 0.000) 9.659 10.161 ( 3.390 4.548 0.000) 5.672 10.271 ( 2.986 -4.672 0.000) 5.544 10.631 ( -4.579 6.388 0.000) 7.860 10.779 ( -7.301 -7.999 0.000) 10.831 10.994 ( 2.108 5.933 0.000) 6.296 11.078 ( -1.543 -1.362 0.000) 2.058 11.685 ( -1.274 -3.713 0.000) 3.925 11.708 ( -3.045 -5.764 0.000) 6.519 12.937 ( 12.165 12.234 0.000) 17.253 13.134 ( 5.733 -7.206 0.000) 9.208 13.848 ( 8.629 11.576 0.000) 14.438 14.021 ( 6.706 -5.688 0.000) 8.794 14.259 ( -5.523 4.296 0.000) 6.997 14.340 ( -4.034 -4.445 0.000) 6.002 14.888 ( 3.965 6.806 0.000) 7.877 15.001 ( -0.551 -1.837 0.000) 1.918 15.098 ( 2.408 0.382 0.000) 2.438 15.181 ( -1.118 -5.139 0.000) 5.260 16.199 ( -2.147 -0.339 0.000) 2.174 16.208 ( -1.978 -1.275 0.000) 2.353 16.692 ( -2.151 2.265 0.000) 3.123 16.748 ( -4.232 -3.295 0.000) 5.364 ======================= Grid point 40 (25/100) ======================= q-point: (-0.50 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.748 ( -3.229 3.006 0.000) 4.412 1.748 ( 3.229 3.006 0.000) 4.412 1.851 ( -1.951 -5.528 0.000) 5.862 1.851 ( 1.951 -5.528 0.000) 5.862 2.210 ( -0.053 -0.056 0.000) 0.077 2.210 ( 0.053 -0.056 0.000) 0.077 2.361 ( -1.621 3.474 0.000) 3.833 2.361 ( 1.621 3.474 0.000) 3.833 2.400 ( -2.951 0.392 0.000) 2.977 2.400 ( 2.951 0.392 0.000) 2.977 3.079 ( -1.088 1.209 0.000) 1.626 3.079 ( 1.088 1.209 0.000) 1.626 3.432 ( -0.801 -2.282 0.000) 2.418 3.432 ( 0.801 -2.282 0.000) 2.418 3.651 ( -4.940 -7.722 0.000) 9.167 3.651 ( 4.940 -7.722 0.000) 9.167 4.095 ( -3.607 -1.047 0.000) 3.756 4.095 ( 3.607 -1.047 0.000) 3.756 5.279 ( -0.386 1.929 0.000) 1.968 5.279 ( 0.386 1.929 0.000) 1.968 5.600 ( -0.653 -0.444 0.000) 0.790 5.600 ( 0.653 -0.444 0.000) 0.790 6.000 ( -0.141 -0.578 0.000) 0.595 6.000 ( 0.141 -0.578 0.000) 0.595 6.404 ( -0.085 -0.241 0.000) 0.256 6.404 ( 0.085 -0.241 0.000) 0.256 6.585 ( -0.430 -1.558 0.000) 1.616 6.585 ( 0.430 -1.558 0.000) 1.616 6.806 ( -1.039 -4.765 0.000) 4.877 6.806 ( 1.039 -4.765 0.000) 4.877 7.457 ( -0.039 -1.757 0.000) 1.757 7.457 ( 0.039 -1.757 0.000) 1.757 8.631 ( -0.710 3.388 0.000) 3.462 8.631 ( 0.710 3.388 0.000) 3.462 8.939 ( -1.445 0.590 0.000) 1.560 8.939 ( 1.445 0.590 0.000) 1.560 9.931 ( -2.233 -3.561 0.000) 4.204 9.931 ( 2.233 -3.561 0.000) 4.204 10.272 ( -3.797 4.229 0.000) 5.684 10.272 ( 3.797 4.229 0.000) 5.684 10.636 ( -1.342 -4.766 0.000) 4.951 10.636 ( 1.342 -4.766 0.000) 4.951 11.036 ( -0.191 2.593 0.000) 2.600 11.036 ( 0.191 2.593 0.000) 2.600 11.676 ( -0.023 -4.281 0.000) 4.281 11.676 ( 0.023 -4.281 0.000) 4.281 13.134 ( -5.060 3.498 0.000) 6.151 13.134 ( 5.060 3.498 0.000) 6.151 14.008 ( -2.865 3.995 0.000) 4.916 14.008 ( 2.865 3.995 0.000) 4.916 14.255 ( -1.775 -1.297 0.000) 2.198 14.255 ( 1.775 -1.297 0.000) 2.198 14.961 ( -0.716 3.020 0.000) 3.104 14.961 ( 0.716 3.020 0.000) 3.104 15.147 ( -0.167 -2.931 0.000) 2.936 15.147 ( 0.167 -2.931 0.000) 2.936 16.182 ( -0.018 -1.191 0.000) 1.192 16.182 ( 0.018 -1.191 0.000) 1.192 16.683 ( -0.748 -0.892 0.000) 1.164 16.683 ( 0.748 -0.892 0.000) 1.164 ======================= Grid point 81 (26/100) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.472 ( 0.000 0.000 23.179) 23.179 0.508 ( 0.000 0.000 24.696) 24.696 0.923 ( 0.000 0.000 44.602) 44.602 1.926 ( 0.000 0.000 -8.758) 8.758 1.929 ( 0.000 0.000 -7.263) 7.263 2.194 ( 0.000 0.000 4.445) 4.445 2.320 ( 0.000 0.000 3.082) 3.082 2.380 ( 0.000 0.000 3.211) 3.211 2.854 ( 0.000 0.000 -1.701) 1.701 3.049 ( 0.000 0.000 -6.863) 6.863 3.120 ( 0.000 0.000 -7.663) 7.663 3.303 ( 0.000 0.000 -6.790) 6.790 3.513 ( 0.000 0.000 2.793) 2.793 3.612 ( 0.000 0.000 0.015) 0.015 3.814 ( 0.000 0.000 -2.645) 2.645 3.871 ( 0.000 0.000 -2.589) 2.589 3.922 ( 0.000 0.000 15.455) 15.455 4.461 ( 0.000 0.000 6.789) 6.789 4.988 ( 0.000 0.000 -4.362) 4.362 5.281 ( 0.000 0.000 -8.163) 8.163 5.538 ( 0.000 0.000 4.652) 4.652 5.896 ( 0.000 0.000 5.054) 5.054 6.190 ( 0.000 0.000 -6.689) 6.689 6.230 ( 0.000 0.000 2.116) 2.116 6.463 ( 0.000 0.000 -3.271) 3.271 6.572 ( 0.000 0.000 -0.362) 0.362 6.576 ( 0.000 0.000 -2.096) 2.096 6.940 ( 0.000 0.000 -4.129) 4.129 7.411 ( 0.000 0.000 1.524) 1.524 7.440 ( 0.000 0.000 3.974) 3.974 7.765 ( 0.000 0.000 -1.923) 1.923 7.799 ( 0.000 0.000 10.479) 10.479 7.861 ( 0.000 0.000 -4.028) 4.028 8.948 ( 0.000 0.000 -7.005) 7.005 9.050 ( 0.000 0.000 9.440) 9.440 9.352 ( 0.000 0.000 2.243) 2.243 9.364 ( 0.000 0.000 5.786) 5.786 9.711 ( 0.000 0.000 2.869) 2.869 9.846 ( 0.000 0.000 -1.390) 1.390 10.086 ( 0.000 0.000 4.486) 4.486 10.526 ( 0.000 0.000 1.327) 1.327 11.024 ( 0.000 0.000 0.081) 0.081 11.110 ( 0.000 0.000 -1.443) 1.443 11.203 ( 0.000 0.000 -11.207) 11.207 11.928 ( 0.000 0.000 12.309) 12.309 12.152 ( 0.000 0.000 0.813) 0.813 12.200 ( 0.000 0.000 0.030) 0.030 13.282 ( 0.000 0.000 -4.721) 4.721 13.637 ( 0.000 0.000 1.330) 1.330 13.690 ( 0.000 0.000 1.586) 1.586 13.881 ( 0.000 0.000 -1.296) 1.296 14.434 ( 0.000 0.000 -13.744) 13.744 14.620 ( 0.000 0.000 1.121) 1.121 14.922 ( 0.000 0.000 -4.116) 4.116 15.293 ( 0.000 0.000 -3.136) 3.136 15.306 ( 0.000 0.000 -7.798) 7.798 15.848 ( 0.000 0.000 5.724) 5.724 16.435 ( 0.000 0.000 -3.788) 3.788 16.533 ( 0.000 0.000 12.134) 12.134 17.058 ( 0.000 0.000 -0.353) 0.353 ======================= Grid point 82 (27/100) ======================= q-point: ( 0.12 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.670 ( 15.422 0.000 15.374) 21.776 0.681 ( 15.294 0.000 15.697) 21.916 1.292 ( 31.327 0.000 26.540) 41.058 1.899 ( -0.643 0.000 -6.338) 6.371 1.975 ( 4.305 0.000 -9.046) 10.018 2.175 ( -3.043 0.000 3.580) 4.698 2.235 ( -6.382 0.000 2.856) 6.992 2.413 ( 1.412 0.000 2.549) 2.914 2.807 ( -3.929 0.000 -1.365) 4.159 2.950 ( -11.024 0.000 -1.926) 11.191 3.090 ( -10.452 0.000 -6.599) 12.361 3.097 ( -2.981 0.000 -7.710) 8.266 3.642 ( 11.629 0.000 2.875) 11.979 3.751 ( 5.397 0.000 -1.873) 5.713 3.884 ( 2.135 0.000 9.522) 9.759 3.962 ( 9.618 0.000 -5.492) 11.076 4.040 ( 10.275 0.000 4.077) 11.054 4.337 ( -2.427 0.000 11.099) 11.362 5.029 ( 3.426 0.000 -4.080) 5.328 5.353 ( 3.952 0.000 -10.477) 11.197 5.523 ( -1.437 0.000 5.036) 5.237 5.790 ( -6.142 0.000 7.371) 9.595 6.154 ( -2.881 0.000 -2.377) 3.735 6.257 ( 2.361 0.000 -3.114) 3.908 6.342 ( -7.381 0.000 -1.742) 7.584 6.532 ( -3.983 0.000 -2.300) 4.599 6.568 ( 3.941 0.000 -0.616) 3.989 7.257 ( 4.662 0.000 -11.796) 12.684 7.272 ( -9.408 0.000 3.455) 10.022 7.465 ( 1.996 0.000 1.779) 2.674 7.758 ( -4.077 0.000 1.914) 4.504 7.879 ( 7.363 0.000 -4.190) 8.471 7.992 ( 11.666 0.000 5.673) 12.972 8.949 ( -8.825 0.000 10.159) 13.457 9.062 ( 0.226 0.000 -10.326) 10.328 9.219 ( -9.863 0.000 3.279) 10.394 9.444 ( 5.408 0.000 3.201) 6.285 9.766 ( 2.259 0.000 2.531) 3.393 9.972 ( 12.460 0.000 -4.408) 13.217 10.148 ( 6.241 0.000 4.910) 7.941 10.593 ( 5.878 0.000 0.600) 5.909 10.914 ( -6.035 0.000 6.190) 8.645 11.082 ( 0.426 0.000 -0.688) 0.809 11.189 ( -1.325 0.000 -11.145) 11.224 11.910 ( -1.736 0.000 9.663) 9.818 11.997 ( 6.513 0.000 11.911) 13.576 12.488 ( 9.514 0.000 -7.393) 12.049 13.264 ( -2.105 0.000 -3.774) 4.322 13.610 ( -2.560 0.000 0.982) 2.742 13.816 ( 4.064 0.000 1.130) 4.218 13.867 ( -1.220 0.000 -0.552) 1.339 14.409 ( -2.320 0.000 -13.501) 13.699 14.472 ( -9.160 0.000 -1.785) 9.333 14.784 ( -6.844 0.000 -7.415) 10.091 15.207 ( -6.148 0.000 -3.792) 7.223 15.316 ( -1.207 0.000 -8.024) 8.114 15.948 ( 10.939 0.000 7.869) 13.475 16.538 ( 0.455 0.000 12.175) 12.184 16.641 ( 8.109 0.000 -8.474) 11.729 17.050 ( -0.853 0.000 -0.213) 0.879 ======================= Grid point 83 (28/100) ======================= q-point: ( 0.25 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.018 ( 16.784 0.000 8.347) 18.745 1.075 ( 20.057 0.000 4.422) 20.539 1.825 ( 6.466 0.000 -3.214) 7.221 2.026 ( 10.143 0.000 4.714) 11.185 2.045 ( -5.313 0.000 -0.852) 5.381 2.107 ( 1.375 0.000 -5.007) 5.193 2.108 ( 8.842 0.000 5.356) 10.338 2.422 ( -0.607 0.000 0.327) 0.690 2.610 ( -16.867 0.000 2.310) 17.024 2.702 ( -6.185 0.000 -0.504) 6.205 2.962 ( -4.907 0.000 -7.628) 9.070 2.998 ( -5.654 0.000 -8.227) 9.982 3.741 ( -2.771 0.000 1.407) 3.107 3.864 ( 4.681 0.000 10.782) 11.755 4.033 ( 15.114 0.000 6.713) 16.538 4.198 ( 9.702 0.000 -1.940) 9.894 4.329 ( 16.292 0.000 0.628) 16.304 4.420 ( 10.090 0.000 6.301) 11.896 5.094 ( 1.908 0.000 -2.907) 3.477 5.415 ( 1.555 0.000 -9.456) 9.583 5.473 ( -3.767 0.000 5.124) 6.359 5.623 ( -10.347 0.000 6.031) 11.976 6.086 ( -3.836 0.000 -3.173) 4.978 6.174 ( -8.884 0.000 -3.304) 9.478 6.314 ( 2.892 0.000 -5.216) 5.965 6.456 ( -0.975 0.000 -1.306) 1.630 6.653 ( 3.127 0.000 -0.400) 3.152 7.113 ( -4.778 0.000 5.064) 6.962 7.226 ( -4.448 0.000 -5.820) 7.325 7.482 ( -2.762 0.000 -0.759) 2.864 7.640 ( -4.098 0.000 2.969) 5.060 7.997 ( 3.164 0.000 -7.957) 8.563 8.252 ( 11.507 0.000 9.217) 14.743 8.733 ( -10.410 0.000 13.186) 16.800 8.952 ( -8.460 0.000 -0.065) 8.460 9.004 ( -10.065 0.000 4.702) 11.109 9.502 ( 1.636 0.000 6.505) 6.708 9.766 ( -1.723 0.000 3.365) 3.781 10.310 ( 17.827 0.000 -7.156) 19.210 10.328 ( 9.875 0.000 5.007) 11.071 10.741 ( 7.431 0.000 -1.511) 7.583 10.878 ( 0.062 0.000 0.414) 0.418 11.079 ( -0.204 0.000 -1.752) 1.764 11.155 ( -1.536 0.000 -10.562) 10.673 12.026 ( 11.137 0.000 7.099) 13.207 12.191 ( 11.594 0.000 10.489) 15.634 12.693 ( 10.952 0.000 -4.434) 11.816 13.175 ( -6.679 0.000 -1.405) 6.826 13.533 ( -4.780 0.000 0.219) 4.785 13.619 ( -14.876 0.000 3.996) 15.404 13.995 ( 7.057 0.000 2.432) 7.464 14.318 ( -4.978 0.000 -3.846) 6.291 14.343 ( -3.745 0.000 -12.183) 12.745 14.727 ( 1.025 0.000 -16.383) 16.415 15.042 ( -9.600 0.000 -3.284) 10.147 15.248 ( -5.254 0.000 -11.072) 12.255 16.219 ( 13.260 0.000 6.548) 14.789 16.553 ( 0.953 0.000 11.976) 12.014 16.728 ( 1.745 0.000 -2.042) 2.686 17.017 ( -2.429 0.000 0.190) 2.437 ======================= Grid point 84 (29/100) ======================= q-point: ( 0.38 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( 14.448 0.000 4.263) 15.064 1.458 ( 14.939 0.000 0.387) 14.944 1.824 ( -3.890 0.000 -3.039) 4.937 1.868 ( -7.628 0.000 4.354) 8.783 2.004 ( 0.582 0.000 0.404) 0.708 2.146 ( -2.548 0.000 -7.178) 7.616 2.269 ( -7.367 0.000 4.027) 8.396 2.424 ( 1.781 0.000 -1.744) 2.493 2.544 ( -7.847 0.000 -0.797) 7.888 2.570 ( 11.079 0.000 -1.563) 11.188 2.857 ( -4.151 0.000 -8.139) 9.136 2.899 ( -3.336 0.000 -10.134) 10.669 3.747 ( 4.143 0.000 9.034) 9.938 3.900 ( -0.157 0.000 15.777) 15.778 4.345 ( 6.558 0.000 3.347) 7.363 4.386 ( 15.193 0.000 3.408) 15.570 4.653 ( 12.769 0.000 1.200) 12.825 4.705 ( 14.391 0.000 1.713) 14.493 5.118 ( 1.949 0.000 -0.955) 2.171 5.328 ( -13.313 0.000 3.396) 13.739 5.338 ( -8.978 0.000 3.331) 9.576 5.430 ( -4.568 0.000 -4.824) 6.644 5.975 ( -5.857 0.000 -6.898) 9.049 5.988 ( -7.771 0.000 -5.527) 9.535 6.446 ( 10.082 0.000 -2.722) 10.443 6.518 ( 6.390 0.000 -0.985) 6.465 6.667 ( -1.883 0.000 -0.193) 1.893 7.080 ( 1.289 0.000 4.642) 4.818 7.090 ( -9.842 0.000 -5.058) 11.065 7.299 ( -10.288 0.000 3.250) 10.789 7.689 ( 6.420 0.000 -1.270) 6.545 7.991 ( -4.041 0.000 -10.196) 10.967 8.455 ( 7.952 0.000 11.223) 13.754 8.573 ( -3.724 0.000 16.816) 17.224 8.765 ( -8.368 0.000 5.103) 9.801 8.809 ( -8.403 0.000 5.509) 10.048 9.554 ( 3.404 0.000 7.336) 8.087 9.712 ( -3.208 0.000 4.829) 5.798 10.528 ( 8.679 0.000 4.604) 9.825 10.644 ( 11.388 0.000 -7.280) 13.516 10.850 ( -1.395 0.000 -2.291) 2.682 10.868 ( 4.015 0.000 -6.189) 7.378 11.099 ( 1.590 0.000 -1.184) 1.983 11.139 ( -0.049 0.000 -7.294) 7.295 12.315 ( 15.144 0.000 4.570) 15.819 12.458 ( 13.090 0.000 7.631) 15.152 12.915 ( 7.964 0.000 -3.899) 8.867 12.990 ( -10.228 0.000 1.008) 10.278 13.300 ( -13.240 0.000 6.678) 14.829 13.404 ( -7.480 0.000 0.222) 7.483 14.100 ( 2.929 0.000 0.437) 2.961 14.259 ( -4.148 0.000 -8.768) 9.700 14.331 ( 6.882 0.000 -3.630) 7.781 14.795 ( 5.113 0.000 -19.307) 19.973 14.810 ( -12.259 0.000 -3.243) 12.681 15.104 ( -8.071 0.000 -14.844) 16.896 16.460 ( 8.935 0.000 6.624) 11.123 16.573 ( 0.792 0.000 10.958) 10.987 16.758 ( 1.964 0.000 1.300) 2.355 16.944 ( -4.538 0.000 0.773) 4.603 ======================= Grid point 85 (30/100) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( -4.889 0.000 0.387) 4.904 1.579 ( 4.889 0.000 0.387) 4.904 1.781 ( -0.087 0.000 4.618) 4.618 1.781 ( 0.087 0.000 4.618) 4.618 2.026 ( -4.994 0.000 -3.734) 6.236 2.026 ( 4.994 0.000 -3.734) 6.236 2.306 ( -8.310 0.000 1.443) 8.435 2.306 ( 8.310 0.000 1.443) 8.435 2.580 ( -5.515 0.000 -5.552) 7.825 2.580 ( 5.515 0.000 -5.552) 7.825 2.850 ( -1.670 0.000 -10.478) 10.610 2.850 ( 1.670 0.000 -10.478) 10.610 3.856 ( -4.250 0.000 15.524) 16.096 3.856 ( 4.250 0.000 15.524) 16.096 4.495 ( -4.332 0.000 2.264) 4.887 4.495 ( 4.332 0.000 2.264) 4.887 4.879 ( -3.160 0.000 3.805) 4.946 4.879 ( 3.160 0.000 3.805) 4.946 5.108 ( -0.234 0.000 3.076) 3.085 5.108 ( 0.234 0.000 3.076) 3.085 5.294 ( -7.584 0.000 -2.697) 8.050 5.294 ( 7.584 0.000 -2.697) 8.050 5.901 ( -0.043 0.000 -8.059) 8.059 5.901 ( 0.043 0.000 -8.059) 8.059 6.592 ( -3.815 0.000 -0.690) 3.877 6.592 ( 3.815 0.000 -0.690) 3.877 6.792 ( -15.899 0.000 -2.597) 16.110 6.792 ( 15.899 0.000 -2.597) 16.110 7.147 ( -4.093 0.000 3.913) 5.662 7.147 ( 4.093 0.000 3.913) 5.662 7.851 ( -3.040 0.000 -6.259) 6.958 7.851 ( 3.040 0.000 -6.259) 6.958 8.563 ( -0.001 0.000 16.649) 16.649 8.563 ( 0.001 0.000 16.649) 16.649 8.671 ( -0.672 0.000 3.924) 3.981 8.671 ( 0.672 0.000 3.924) 3.981 9.635 ( -2.400 0.000 6.362) 6.799 9.635 ( 2.400 0.000 6.362) 6.799 10.675 ( -4.871 0.000 2.205) 5.347 10.675 ( 4.871 0.000 2.205) 5.347 10.894 ( -0.405 0.000 -10.784) 10.791 10.894 ( 0.405 0.000 -10.784) 10.791 11.130 ( -0.792 0.000 -1.594) 1.780 11.130 ( 0.792 0.000 -1.594) 1.780 12.592 ( -7.121 0.000 2.905) 7.691 12.592 ( 7.121 0.000 2.905) 7.691 12.882 ( -3.976 0.000 2.331) 4.608 12.882 ( 3.976 0.000 2.331) 4.608 13.244 ( -5.859 0.000 2.693) 6.448 13.244 ( 5.859 0.000 2.693) 6.448 14.171 ( -2.981 0.000 -3.973) 4.967 14.171 ( 2.981 0.000 -3.973) 4.967 14.546 ( -10.044 0.000 -3.322) 10.579 14.546 ( 10.044 0.000 -3.322) 10.579 14.932 ( -6.426 0.000 -18.240) 19.339 14.932 ( 6.426 0.000 -18.240) 19.339 16.570 ( -1.819 0.000 8.896) 9.080 16.570 ( 1.819 0.000 8.896) 9.080 16.836 ( -4.960 0.000 1.400) 5.154 16.836 ( 4.960 0.000 1.400) 5.154 ======================= Grid point 90 (31/100) ======================= q-point: ( 0.00 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.622 ( 0.000 13.449 14.805) 20.001 0.678 ( 0.000 14.720 18.193) 23.402 1.217 ( 0.000 28.856 28.010) 40.215 1.922 ( 0.000 -1.439 -7.935) 8.065 1.953 ( 0.000 3.743 -5.673) 6.797 2.157 ( 0.000 -1.560 -0.817) 1.761 2.372 ( 0.000 -2.439 2.644) 3.597 2.384 ( 0.000 4.406 6.029) 7.467 2.844 ( 0.000 -4.993 -8.118) 9.530 3.003 ( 0.000 -15.186 -2.030) 15.321 3.074 ( 0.000 -0.262 -4.471) 4.479 3.131 ( 0.000 -8.305 -7.888) 11.454 3.671 ( 0.000 4.374 -1.319) 4.568 3.685 ( 0.000 12.883 -1.416) 12.960 3.883 ( 0.000 -3.566 -0.403) 3.589 3.890 ( 0.000 7.408 0.815) 7.452 3.935 ( 0.000 2.087 13.193) 13.357 4.355 ( 0.000 1.387 5.944) 6.104 5.131 ( 0.000 4.692 -8.323) 9.554 5.254 ( 0.000 -0.424 -6.564) 6.578 5.691 ( 0.000 8.716 2.894) 9.184 5.827 ( 0.000 -3.444 7.223) 8.002 6.225 ( 0.000 -1.073 1.288) 1.676 6.327 ( 0.000 1.065 -7.251) 7.329 6.444 ( 0.000 -0.935 -1.726) 1.964 6.554 ( 0.000 -2.058 -0.312) 2.082 6.584 ( 0.000 1.839 -0.783) 1.998 7.107 ( 0.000 7.738 -14.208) 16.179 7.428 ( 0.000 2.538 -1.207) 2.810 7.445 ( 0.000 -0.363 2.136) 2.167 7.730 ( 0.000 -0.484 7.667) 7.682 7.846 ( 0.000 -1.942 -3.967) 4.416 7.853 ( 0.000 3.828 3.472) 5.168 8.526 ( 0.000 -21.086 13.918) 25.265 9.074 ( 0.000 1.613 7.227) 7.405 9.147 ( 0.000 -16.167 7.222) 17.707 9.643 ( 0.000 15.338 -7.466) 17.058 9.660 ( 0.000 -1.793 3.466) 3.902 9.952 ( 0.000 6.339 -2.700) 6.890 10.124 ( 0.000 5.105 4.958) 7.117 10.442 ( 0.000 -4.381 0.940) 4.480 11.130 ( 0.000 3.414 -6.213) 7.089 11.167 ( 0.000 3.703 0.566) 3.746 11.210 ( 0.000 5.399 -3.439) 6.401 11.799 ( 0.000 -5.013 14.050) 14.917 12.136 ( 0.000 -0.965 0.183) 0.982 12.355 ( 0.000 2.035 -6.885) 7.180 13.157 ( 0.000 -12.335 -3.220) 12.748 13.499 ( 0.000 0.678 -5.868) 5.907 13.797 ( 0.000 -6.853 -3.254) 7.586 14.063 ( 0.000 16.668 -3.976) 17.136 14.481 ( 0.000 2.800 -9.849) 10.239 14.598 ( 0.000 -1.570 0.822) 1.772 14.961 ( 0.000 3.933 -5.415) 6.692 15.081 ( 0.000 -11.849 3.512) 12.358 15.161 ( 0.000 -10.971 -7.218) 13.133 16.005 ( 0.000 12.099 4.314) 12.846 16.543 ( 0.000 4.361 -5.973) 7.395 16.546 ( 0.000 1.395 11.484) 11.569 17.056 ( 0.000 -0.534 -0.176) 0.562 ======================= Grid point 91 (32/100) ======================= q-point: ( 0.12 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.771 ( 13.449 11.637 8.287) 19.621 0.846 ( 13.387 12.613 12.778) 22.396 1.499 ( 23.568 19.222 19.911) 36.351 1.894 ( -3.098 -0.462 -7.110) 7.770 1.989 ( 4.506 1.399 -6.264) 7.842 2.135 ( -1.991 -0.979 -0.759) 2.345 2.285 ( -5.372 1.739 4.918) 7.488 2.419 ( 0.589 0.756 2.748) 2.910 2.768 ( -6.237 -4.609 -3.059) 8.336 2.892 ( -9.324 -8.300 -1.519) 12.575 3.037 ( -5.743 -4.739 -6.342) 9.780 3.083 ( -2.577 -1.978 -6.351) 7.133 3.536 ( 1.056 -2.181 1.412) 2.805 3.771 ( 1.267 -3.182 -1.465) 3.725 3.869 ( 0.803 0.138 8.590) 8.629 3.996 ( 4.361 -1.017 8.449) 9.563 4.130 ( 15.004 11.785 -0.917) 19.101 4.410 ( 6.669 8.296 2.726) 10.988 5.118 ( -0.092 4.797 -5.531) 7.322 5.307 ( 3.168 -2.215 -7.164) 8.141 5.638 ( -4.790 5.498 2.744) 7.791 5.742 ( -6.894 -3.145 6.779) 10.167 6.185 ( -3.845 -0.274 -0.239) 3.863 6.268 ( -5.434 -2.205 -5.036) 7.730 6.380 ( -2.882 6.493 -2.422) 7.505 6.508 ( -3.513 -1.210 -2.169) 4.302 6.572 ( 2.925 -0.281 2.233) 3.690 7.180 ( -3.574 -4.874 -4.204) 7.363 7.256 ( -4.425 -3.235 -2.712) 6.115 7.531 ( 2.472 5.206 1.716) 6.013 7.749 ( -2.367 -1.343 -0.563) 2.779 7.904 ( 7.113 0.349 -1.138) 7.212 7.976 ( 9.064 0.193 4.602) 10.167 8.549 ( -1.318 -23.952 8.294) 25.382 8.949 ( -7.210 -1.073 7.645) 10.563 9.251 ( 4.821 -10.508 7.009) 13.520 9.556 ( -5.523 12.848 -0.768) 14.006 9.779 ( 8.049 -0.869 1.989) 8.336 10.037 ( 6.053 6.648 -3.541) 9.663 10.174 ( 5.319 2.167 2.361) 6.210 10.500 ( 5.087 -5.077 0.109) 7.188 11.002 ( -6.837 4.876 2.584) 8.787 11.134 ( -0.220 1.656 -7.896) 8.070 11.258 ( -0.891 7.122 -3.290) 7.895 11.788 ( 1.682 -4.661 10.778) 11.863 12.174 ( 5.691 7.611 3.690) 10.194 12.438 ( 5.659 -4.636 -3.653) 8.177 13.113 ( -3.666 -14.186 -1.791) 14.762 13.560 ( 2.048 0.550 -5.467) 5.864 13.793 ( -0.328 -5.306 -3.412) 6.317 14.069 ( -1.189 15.399 -0.031) 15.445 14.435 ( -9.306 0.784 -1.292) 9.428 14.487 ( -0.953 2.142 -9.277) 9.568 14.793 ( -6.676 1.018 -8.170) 10.600 15.164 ( 0.429 -4.472 -4.429) 6.309 15.228 ( 3.017 -5.606 -5.794) 8.609 16.063 ( 5.893 9.205 5.228) 12.116 16.518 ( 0.097 -1.134 9.950) 10.014 16.641 ( 4.246 -0.140 -2.659) 5.012 17.044 ( -1.113 -0.732 -0.056) 1.333 ======================= Grid point 92 (33/100) ======================= q-point: ( 0.25 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( 15.483 7.955 3.763) 17.809 1.181 ( 17.755 9.131 5.233) 20.639 1.842 ( -0.971 -1.331 -7.750) 7.923 1.945 ( 7.209 0.332 0.802) 7.261 2.065 ( 0.539 0.715 1.687) 1.910 2.143 ( -1.515 3.250 2.348) 4.286 2.219 ( 12.808 5.942 1.265) 14.176 2.394 ( -3.594 -2.111 0.832) 4.250 2.581 ( -11.661 -1.626 3.853) 12.388 2.687 ( -7.500 -2.758 -2.668) 8.425 2.927 ( -4.546 -3.188 -6.609) 8.631 2.987 ( -5.704 -1.079 -7.173) 9.228 3.662 ( 5.939 -8.839 2.089) 10.852 3.810 ( 3.511 -3.697 2.222) 5.562 3.905 ( 4.380 -5.091 10.936) 12.833 4.105 ( 7.327 -9.368 8.653) 14.708 4.431 ( 11.757 12.251 -1.387) 17.037 4.649 ( 15.332 13.484 0.827) 20.434 5.115 ( -1.105 0.564 -3.131) 3.368 5.334 ( -2.010 -4.751 -3.135) 6.037 5.470 ( -10.017 -5.220 2.485) 11.566 5.636 ( -2.550 4.026 2.737) 5.496 6.069 ( -8.018 -5.051 -4.336) 10.421 6.127 ( -6.775 -1.063 -3.398) 7.654 6.373 ( 1.445 4.565 -3.414) 5.881 6.454 ( -0.214 -0.003 -1.741) 1.754 6.632 ( 1.940 -2.927 2.779) 4.478 7.049 ( -4.327 -3.573 3.778) 6.765 7.210 ( -3.091 -4.043 -5.787) 7.706 7.535 ( -4.753 4.071 -0.646) 6.291 7.652 ( -3.285 0.615 0.744) 3.424 8.045 ( 4.913 1.489 -6.785) 8.508 8.171 ( 8.033 -5.120 8.997) 13.103 8.470 ( -4.279 -18.065 6.930) 19.816 8.834 ( -3.304 2.334 12.665) 13.295 9.187 ( -10.164 1.425 7.396) 12.651 9.518 ( 1.546 4.681 3.814) 6.233 9.886 ( 0.086 8.472 1.775) 8.656 10.190 ( 10.910 -7.027 1.229) 13.036 10.373 ( 12.112 0.307 -2.986) 12.478 10.636 ( 7.364 -6.328 -1.878) 9.889 10.918 ( -2.879 2.125 -0.948) 3.702 11.112 ( -1.890 0.583 -6.727) 7.011 11.198 ( -2.960 3.337 -3.955) 5.962 11.915 ( 9.535 -4.497 8.186) 13.347 12.367 ( 11.592 7.855 4.032) 14.572 12.597 ( 9.626 -5.525 0.107) 11.100 12.993 ( -7.505 -15.832 0.508) 17.529 13.502 ( -7.906 -0.324 -2.628) 8.338 13.759 ( -3.881 7.443 -1.160) 8.474 14.025 ( -0.692 4.129 2.297) 4.776 14.310 ( -1.858 3.238 -2.970) 4.770 14.462 ( -2.247 6.421 -9.697) 11.845 14.729 ( 0.329 0.728 -15.446) 15.467 15.091 ( -6.689 3.237 -4.711) 8.799 15.225 ( -3.253 -1.795 -10.100) 10.762 16.239 ( 9.960 1.883 6.105) 11.833 16.530 ( 0.810 -2.252 11.541) 11.787 16.699 ( 1.687 -2.248 -0.435) 2.845 17.006 ( -2.661 -1.160 0.243) 2.912 ======================= Grid point 93 (34/100) ======================= q-point: ( 0.38 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( 13.486 5.006 1.924) 14.513 1.532 ( 13.901 6.724 0.666) 15.456 1.816 ( -2.206 -0.664 -2.103) 3.119 1.884 ( -5.061 1.624 -0.881) 5.388 2.026 ( -2.790 1.249 1.404) 3.364 2.139 ( -1.679 0.109 -5.577) 5.826 2.251 ( -6.150 -1.564 4.081) 7.545 2.436 ( -0.513 0.575 0.127) 0.781 2.500 ( -4.068 -3.855 -2.460) 6.121 2.585 ( 4.415 1.189 -0.466) 4.596 2.847 ( -2.163 -0.790 -7.412) 7.761 2.896 ( -2.286 -0.047 -9.884) 10.145 3.741 ( 4.566 -1.468 8.201) 9.501 3.872 ( 0.596 -3.111 13.882) 14.238 4.110 ( 13.249 -13.710 2.916) 19.288 4.311 ( 13.087 -12.591 7.853) 19.785 4.579 ( -0.225 2.635 -0.645) 2.723 4.926 ( 2.641 1.016 2.721) 3.926 5.092 ( 2.486 1.830 -0.031) 3.087 5.173 ( -4.336 -3.108 1.857) 5.649 5.367 ( -2.609 -0.481 -3.079) 4.064 5.561 ( -6.185 6.500 1.247) 9.058 5.900 ( -5.679 -4.586 -7.024) 10.130 5.988 ( -6.643 -0.268 -5.325) 8.519 6.460 ( 5.519 -0.257 -2.063) 5.898 6.510 ( 6.207 0.291 -2.043) 6.541 6.647 ( 0.130 -2.649 1.907) 3.267 7.025 ( 1.761 -3.221 3.403) 5.006 7.094 ( -8.870 -2.005 -4.673) 10.225 7.329 ( -11.063 1.840 3.217) 11.667 7.660 ( 1.743 -2.643 -4.294) 5.335 8.091 ( -0.446 6.214 -11.281) 12.888 8.245 ( -0.112 -14.054 15.950) 21.258 8.484 ( 6.109 -4.538 4.889) 9.045 8.793 ( -1.522 5.284 17.659) 18.496 8.943 ( -11.491 5.185 9.340) 15.690 9.571 ( 3.802 2.773 3.834) 6.070 9.827 ( -4.831 9.625 3.335) 11.274 10.431 ( 10.399 -8.848 3.919) 14.205 10.626 ( 10.272 -3.721 -9.035) 14.177 10.730 ( -1.066 -5.748 -0.646) 5.882 10.902 ( 3.799 -0.857 -5.148) 6.455 11.065 ( -1.847 -2.918 -4.301) 5.516 11.164 ( -1.276 1.157 -3.951) 4.310 12.141 ( 11.468 -9.146 6.679) 16.117 12.562 ( 0.834 -3.918 3.911) 5.598 12.739 ( 3.670 -12.415 -0.217) 12.948 12.960 ( 9.240 5.762 2.155) 11.101 13.279 ( -10.901 -2.127 1.215) 11.173 13.613 ( -10.388 15.695 1.522) 18.883 14.065 ( 4.324 -1.832 -2.010) 5.108 14.303 ( -1.911 3.837 -4.194) 5.997 14.446 ( 3.523 8.688 -6.698) 11.522 14.766 ( 1.277 0.110 -13.656) 13.716 14.926 ( -7.120 7.045 -8.647) 13.233 15.111 ( -6.860 0.779 -14.124) 15.721 16.435 ( 7.765 -2.332 7.094) 10.773 16.545 ( 0.447 -2.838 11.034) 11.402 16.736 ( 2.371 -2.015 1.443) 3.430 16.929 ( -4.620 -1.497 0.762) 4.916 ======================= Grid point 94 (35/100) ======================= q-point: (-0.50 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.620 ( -0.000 4.802 -0.215) 4.807 1.628 ( 0.000 3.305 -2.015) 3.871 1.792 ( 0.000 3.338 4.112) 5.296 1.837 ( 0.000 2.955 4.740) 5.585 2.019 ( -0.000 -0.460 -3.962) 3.988 2.020 ( 0.000 -0.462 -4.378) 4.402 2.283 ( -0.000 -0.589 1.266) 1.396 2.318 ( 0.000 -0.291 2.271) 2.289 2.519 ( -0.000 -3.910 -5.207) 6.512 2.578 ( 0.000 -2.006 -2.617) 3.297 2.851 ( 0.000 0.465 -10.784) 10.794 2.873 ( 0.000 1.831 -10.385) 10.546 3.835 ( 0.000 -2.394 14.206) 14.407 3.847 ( -0.000 -1.398 14.656) 14.723 4.377 ( -0.000 -9.895 0.582) 9.912 4.426 ( 0.000 -9.759 1.543) 9.880 4.633 ( -0.000 -13.350 5.124) 14.299 4.675 ( 0.000 -13.593 7.629) 15.587 5.190 ( -0.000 0.863 -1.451) 1.688 5.263 ( 0.000 1.500 -0.164) 1.509 5.362 ( -0.000 10.160 -1.203) 10.231 5.386 ( 0.000 10.010 1.255) 10.089 5.871 ( -0.000 -1.807 -7.414) 7.631 5.882 ( 0.000 -1.035 -7.413) 7.485 6.518 ( -0.000 -5.085 -1.645) 5.344 6.590 ( 0.000 -1.347 1.764) 2.219 6.767 ( 0.000 -0.916 -5.035) 5.118 6.858 ( -0.000 2.893 -1.603) 3.307 7.098 ( -0.000 -4.137 1.898) 4.551 7.171 ( 0.000 0.526 6.143) 6.165 7.683 ( 0.000 -7.346 -8.167) 10.985 8.072 ( 0.000 9.719 -7.332) 12.174 8.243 ( 0.000 -14.813 14.150) 20.485 8.617 ( 0.000 -0.859 3.057) 3.176 8.719 ( -0.000 5.534 11.119) 12.420 8.814 ( 0.000 5.931 20.522) 21.362 9.656 ( -0.000 5.368 1.379) 5.542 9.730 ( 0.000 6.298 5.456) 8.332 10.600 ( -0.000 -7.130 1.449) 7.276 10.619 ( 0.000 -6.171 3.520) 7.104 10.780 ( -0.000 -6.166 -11.852) 13.360 10.941 ( 0.000 -0.485 -7.944) 7.958 11.093 ( 0.000 -4.916 -4.214) 6.475 11.116 ( 0.000 0.486 -1.226) 1.318 12.367 ( 0.000 -16.233 4.969) 16.976 12.404 ( -0.000 -13.474 5.709) 14.634 12.889 ( 0.000 -0.788 -2.082) 2.226 12.993 ( 0.000 0.871 1.736) 1.942 13.299 ( 0.000 9.692 1.599) 9.823 13.373 ( -0.000 12.393 4.889) 13.322 14.159 ( -0.000 0.436 -5.744) 5.761 14.232 ( 0.000 3.866 -1.756) 4.246 14.555 ( 0.000 4.130 -7.142) 8.251 14.700 ( -0.000 9.143 -1.289) 9.233 14.905 ( -0.000 -0.051 -19.804) 19.804 15.000 ( 0.000 4.075 -15.954) 16.467 16.534 ( 0.000 -3.229 9.307) 9.851 16.536 ( -0.000 -3.396 9.417) 10.010 16.804 ( 0.000 -2.283 0.793) 2.416 16.834 ( -0.000 -1.031 1.744) 2.026 ======================= Grid point 99 (36/100) ======================= q-point: ( 0.00 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( 0.000 18.695 3.042) 18.940 1.006 ( 0.000 17.407 11.756) 21.005 1.814 ( 0.000 26.551 11.636) 28.988 1.867 ( 0.000 -2.901 -6.771) 7.367 2.071 ( 0.000 8.012 -4.434) 9.157 2.143 ( 0.000 -1.242 -5.895) 6.024 2.292 ( 0.000 -5.329 3.139) 6.185 2.449 ( 0.000 0.682 5.894) 5.933 2.626 ( 0.000 -17.548 1.725) 17.632 2.695 ( 0.000 -7.951 -7.194) 10.723 3.010 ( 0.000 -5.486 -8.309) 9.956 3.011 ( 0.000 -5.741 -1.886) 6.043 3.610 ( 0.000 -7.933 -0.130) 7.934 3.828 ( 0.000 0.413 10.087) 10.096 3.951 ( 0.000 10.235 2.362) 10.504 4.091 ( 0.000 12.453 0.996) 12.493 4.143 ( 0.000 19.134 1.084) 19.165 4.450 ( 0.000 5.751 2.123) 6.130 5.170 ( 0.000 0.304 -4.334) 4.345 5.264 ( 0.000 0.478 -5.251) 5.273 5.712 ( 0.000 -6.415 2.250) 6.798 5.737 ( 0.000 -6.586 4.737) 8.113 6.078 ( 0.000 -13.993 0.394) 13.999 6.205 ( 0.000 -11.825 -1.172) 11.883 6.497 ( 0.000 -3.678 0.665) 3.737 6.502 ( 0.000 3.029 -2.697) 4.056 6.662 ( 0.000 6.606 1.651) 6.809 7.109 ( 0.000 -5.202 -5.681) 7.703 7.406 ( 0.000 -2.710 1.121) 2.932 7.437 ( 0.000 -3.262 -1.763) 3.708 7.799 ( 0.000 6.498 10.135) 12.040 7.816 ( 0.000 0.366 -3.194) 3.215 7.945 ( 0.000 6.001 2.875) 6.654 8.290 ( 0.000 -4.678 10.800) 11.770 8.865 ( 0.000 -10.018 7.779) 12.683 9.057 ( 0.000 -4.404 4.652) 6.406 9.699 ( 0.000 6.341 2.497) 6.815 9.915 ( 0.000 12.116 -5.535) 13.321 10.043 ( 0.000 5.138 -4.435) 6.787 10.268 ( 0.000 8.557 0.463) 8.569 10.478 ( 0.000 7.222 0.052) 7.223 11.120 ( 0.000 -2.035 -10.141) 10.343 11.194 ( 0.000 -1.493 4.194) 4.452 11.365 ( 0.000 5.701 2.726) 6.319 11.759 ( 0.000 1.307 8.689) 8.787 12.155 ( 0.000 3.811 -1.464) 4.083 12.285 ( 0.000 -6.091 -0.049) 6.091 12.830 ( 0.000 -19.591 -0.288) 19.593 13.543 ( 0.000 1.029 -10.070) 10.122 13.647 ( 0.000 -8.228 -3.370) 8.891 14.306 ( 0.000 9.132 -0.162) 9.133 14.498 ( 0.000 -0.911 -6.208) 6.275 14.590 ( 0.000 0.994 -1.847) 2.098 14.920 ( 0.000 -4.930 -0.533) 4.958 14.943 ( 0.000 -8.921 -5.672) 10.571 15.076 ( 0.000 5.271 -9.144) 10.555 16.224 ( 0.000 8.795 4.918) 10.077 16.569 ( 0.000 -0.908 -1.608) 1.847 16.597 ( 0.000 4.095 8.634) 9.556 17.034 ( 0.000 -1.588 0.050) 1.589 ======================= Grid point 100 (37/100) ======================= q-point: ( 0.12 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( 10.001 16.914 0.574) 19.657 1.121 ( 9.913 14.774 9.514) 20.176 1.825 ( -0.695 2.480 -3.567) 4.400 1.948 ( 6.589 12.607 3.261) 14.594 2.048 ( -0.147 3.471 -4.528) 5.707 2.156 ( 1.796 4.326 -1.110) 4.814 2.269 ( -2.653 -3.322 1.888) 4.652 2.438 ( -1.330 -0.816 3.732) 4.045 2.602 ( -1.981 -11.789 2.563) 12.226 2.675 ( -1.897 -8.014 -5.463) 9.883 2.929 ( -4.543 -5.746 -4.191) 8.439 3.020 ( -1.585 -4.419 -5.016) 6.870 3.565 ( -4.646 -1.160 0.015) 4.788 3.673 ( -6.408 0.217 1.866) 6.678 3.882 ( -1.221 0.276 12.729) 12.790 4.055 ( -3.061 8.331 5.582) 10.484 4.414 ( 14.390 13.663 -1.625) 19.910 4.595 ( 12.635 10.671 -0.681) 16.552 5.135 ( -2.812 -2.749 -3.736) 5.425 5.293 ( 0.851 -0.311 -3.832) 3.938 5.565 ( -9.528 -8.145 2.586) 12.799 5.738 ( -2.819 -2.931 3.138) 5.137 6.037 ( -3.307 -11.993 -0.646) 12.457 6.193 ( -1.846 -8.015 -2.785) 8.683 6.469 ( -1.807 -0.913 -1.006) 2.261 6.500 ( -1.012 0.822 -1.160) 1.745 6.596 ( -4.990 3.768 3.672) 7.252 7.078 ( -2.401 -6.821 -3.750) 8.146 7.191 ( -10.262 -0.729 1.407) 10.383 7.581 ( 5.218 -3.062 -0.289) 6.057 7.707 ( -3.831 0.437 -1.322) 4.076 7.889 ( 2.298 0.422 6.788) 7.179 8.053 ( 8.330 6.066 1.124) 10.365 8.290 ( -0.204 -4.280 8.832) 9.817 8.917 ( 1.827 -1.753 5.548) 6.099 9.083 ( 3.626 -6.948 8.451) 11.526 9.734 ( -0.700 5.203 -1.134) 5.371 9.808 ( -0.915 6.950 2.936) 7.600 10.138 ( 4.027 0.530 -4.512) 6.071 10.262 ( 0.575 9.591 0.734) 9.636 10.511 ( 2.351 5.367 -0.941) 5.934 11.056 ( -5.551 1.058 0.106) 5.652 11.128 ( -1.947 -2.654 -7.076) 7.804 11.338 ( -5.848 -1.078 2.069) 6.296 11.809 ( 6.209 7.919 6.184) 11.812 12.176 ( 0.174 -7.347 -0.700) 7.382 12.415 ( 12.693 4.461 3.091) 13.805 12.762 ( -5.912 -20.056 0.982) 20.932 13.572 ( 0.481 -2.857 -9.581) 10.010 13.702 ( 4.870 -2.347 -4.831) 7.250 14.320 ( -0.615 9.738 -1.370) 9.853 14.443 ( -7.074 -0.092 -0.732) 7.113 14.523 ( -0.081 1.548 -5.532) 5.745 14.817 ( -4.149 1.363 -6.804) 8.085 15.040 ( 4.730 -7.136 -8.614) 12.145 15.176 ( 5.018 -0.038 -4.422) 6.688 16.236 ( 1.159 7.221 4.481) 8.577 16.506 ( -2.735 -0.411 6.998) 7.524 16.645 ( 1.777 1.157 2.247) 3.089 17.019 ( -1.455 -1.776 0.084) 2.297 ======================= Grid point 101 (38/100) ======================= q-point: ( 0.25 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( 11.356 12.970 0.955) 17.265 1.389 ( 15.022 11.299 2.565) 18.972 1.795 ( -1.048 -1.270 -7.259) 7.444 1.996 ( -2.272 1.391 -3.169) 4.140 2.088 ( 3.165 1.606 -0.796) 3.637 2.172 ( -5.547 -1.349 0.184) 5.712 2.270 ( 3.831 -0.244 1.692) 4.195 2.394 ( -0.370 0.305 1.672) 1.739 2.549 ( -4.374 -2.766 4.059) 6.577 2.633 ( -0.711 0.549 -2.053) 2.241 2.844 ( -2.893 -4.752 -4.987) 7.471 2.951 ( -4.406 -2.523 -5.359) 7.382 3.506 ( 2.457 -4.117 1.415) 4.999 3.678 ( 3.732 -9.525 -0.221) 10.232 3.852 ( -1.335 -1.216 11.807) 11.944 4.031 ( 1.666 2.085 11.987) 12.280 4.628 ( 5.003 6.499 -1.955) 8.431 4.860 ( 7.131 4.784 0.202) 8.589 5.083 ( 0.695 -1.160 -1.807) 2.257 5.222 ( -7.472 -6.925 0.868) 10.224 5.398 ( -4.464 -1.089 -0.830) 4.670 5.658 ( -3.716 -3.609 1.024) 5.280 5.965 ( -3.143 -2.727 -3.877) 5.687 6.114 ( -5.485 -1.910 -4.309) 7.232 6.413 ( -2.912 -1.565 -1.366) 3.577 6.475 ( 0.141 0.401 -1.317) 1.384 6.540 ( -0.063 -3.294 5.645) 6.536 6.983 ( -5.488 -5.211 3.923) 8.524 7.087 ( -1.039 -5.233 -4.445) 6.944 7.581 ( -8.175 -0.648 -3.572) 8.945 7.634 ( -1.558 -1.827 -0.042) 2.401 7.923 ( 1.138 -5.913 8.713) 10.591 8.223 ( 4.897 1.761 -0.623) 5.241 8.319 ( 5.830 4.106 4.836) 8.616 8.896 ( -2.295 2.497 10.265) 10.811 9.157 ( 0.116 -2.081 11.696) 11.880 9.633 ( -3.774 5.134 0.843) 6.427 9.951 ( 9.676 -1.147 2.074) 9.962 10.174 ( -0.165 4.083 -0.465) 4.112 10.336 ( 6.602 -0.396 -1.222) 6.726 10.582 ( 4.669 -0.083 -3.517) 5.846 10.937 ( -7.408 -0.916 -0.731) 7.500 11.071 ( -3.286 -4.112 -7.208) 8.925 11.205 ( -4.117 -2.596 1.003) 4.969 11.937 ( 4.445 5.496 4.657) 8.465 12.279 ( 10.440 -8.496 1.819) 13.583 12.528 ( -8.623 -15.244 4.108) 17.989 12.803 ( 16.561 6.062 2.435) 17.803 13.498 ( -7.865 -0.893 -6.646) 10.336 13.835 ( 7.405 1.880 -5.529) 9.431 14.176 ( -9.556 8.925 1.416) 13.153 14.396 ( -0.147 3.705 -3.994) 5.449 14.550 ( 1.854 2.809 -5.575) 6.512 14.768 ( -0.347 3.224 -12.223) 12.646 15.091 ( -0.719 -3.322 -9.464) 10.056 15.216 ( -1.217 0.627 -6.157) 6.308 16.282 ( 3.599 2.123 5.521) 6.924 16.475 ( -0.461 -2.929 10.474) 10.885 16.668 ( 0.776 -0.464 1.656) 1.887 16.971 ( -3.166 -2.312 0.280) 3.930 ======================= Grid point 102 (39/100) ======================= q-point: ( 0.38 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.531 ( 9.836 7.593 0.742) 12.448 1.692 ( 11.610 8.980 -1.966) 14.809 1.795 ( 0.927 -1.485 -4.539) 4.864 1.928 ( -2.280 2.329 -3.044) 4.460 2.024 ( -6.222 -0.957 2.231) 6.679 2.167 ( -2.999 0.927 -5.257) 6.123 2.217 ( 0.652 -0.509 3.690) 3.782 2.406 ( -2.771 -3.658 -0.813) 4.660 2.450 ( -3.460 -0.079 2.175) 4.087 2.597 ( -4.263 -0.975 0.564) 4.410 2.825 ( 1.338 -1.435 -7.615) 7.863 2.918 ( 1.056 2.843 -8.693) 9.207 3.629 ( 7.371 -9.187 4.351) 12.556 3.781 ( 3.257 -7.320 4.612) 9.245 3.875 ( 6.676 -9.374 7.879) 13.947 4.134 ( 8.416 -3.824 12.362) 15.436 4.506 ( -14.246 -10.341 -0.153) 17.605 4.810 ( -15.337 -8.067 5.828) 18.283 5.056 ( 5.372 -1.968 -0.188) 5.724 5.267 ( 4.875 4.014 -0.517) 6.336 5.402 ( 4.472 3.768 -1.773) 6.111 5.596 ( -2.085 -0.226 0.056) 2.098 5.904 ( -2.657 3.886 -6.714) 8.200 5.990 ( -5.654 0.998 -4.886) 7.539 6.390 ( 0.351 -6.499 -1.732) 6.735 6.539 ( 4.622 0.964 -0.319) 4.732 6.565 ( 3.668 -4.257 2.465) 6.136 6.912 ( -1.161 -8.395 1.825) 8.670 7.044 ( -4.110 -2.602 -2.011) 5.264 7.336 ( -13.317 -1.592 2.560) 13.654 7.577 ( -3.192 -5.612 -5.153) 8.260 7.924 ( -0.880 -10.707 7.581) 13.149 8.277 ( 2.093 4.178 -0.654) 4.719 8.506 ( 9.686 7.277 3.499) 12.610 8.849 ( -2.577 0.374 15.835) 16.048 9.051 ( -8.153 6.042 13.001) 16.493 9.658 ( 6.024 5.428 0.656) 8.136 10.033 ( -5.709 9.925 0.318) 11.454 10.236 ( 9.036 -8.504 3.204) 12.815 10.503 ( 6.172 -7.871 -5.529) 11.429 10.623 ( -1.504 -6.137 -2.694) 6.869 10.856 ( 3.032 -2.668 -3.824) 5.562 10.993 ( -4.331 -3.981 -5.459) 8.025 11.156 ( -1.750 -1.943 0.379) 2.642 12.010 ( 3.049 -5.244 5.731) 8.345 12.286 ( -9.850 -17.150 6.726) 20.890 12.591 ( 15.381 -1.711 0.437) 15.482 13.186 ( 12.609 6.894 -0.179) 14.372 13.276 ( -6.888 7.722 -1.458) 10.450 13.904 ( -8.565 12.305 -0.605) 15.005 14.058 ( 5.086 1.442 -2.420) 5.814 14.371 ( -2.702 2.247 -4.155) 5.442 14.598 ( 3.031 6.043 -6.743) 9.549 14.794 ( 2.301 2.502 -11.678) 12.163 15.014 ( -5.639 1.115 -11.363) 12.734 15.146 ( -4.462 2.602 -10.522) 11.721 16.379 ( 4.824 -3.065 7.970) 9.807 16.470 ( -0.317 -4.417 11.089) 11.940 16.695 ( 2.205 -1.694 1.523) 3.171 16.886 ( -4.819 -2.785 0.706) 5.611 ======================= Grid point 103 (40/100) ======================= q-point: (-0.50 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.684 ( -0.000 1.916 -3.058) 3.608 1.733 ( 0.000 4.369 -1.043) 4.492 1.877 ( 0.000 2.329 0.605) 2.406 1.888 ( -0.000 5.113 2.070) 5.517 2.013 ( 0.000 -0.527 -4.186) 4.219 2.033 ( 0.000 2.922 -4.225) 5.137 2.296 ( -0.000 1.877 2.256) 2.935 2.310 ( 0.000 0.184 2.554) 2.561 2.446 ( 0.000 -3.189 -1.962) 3.745 2.509 ( 0.000 -4.680 0.932) 4.772 2.863 ( 0.000 0.686 -10.926) 10.947 2.921 ( 0.000 2.966 -9.893) 10.328 3.740 ( -0.000 -7.516 10.020) 12.526 3.778 ( 0.000 -6.196 10.343) 12.057 4.131 ( -0.000 -14.354 -0.652) 14.369 4.151 ( 0.000 -15.683 -0.433) 15.689 4.417 ( -0.000 -8.233 8.825) 12.069 4.454 ( 0.000 -9.053 11.066) 14.298 5.174 ( -0.000 -0.780 -1.380) 1.585 5.270 ( 0.000 0.592 1.295) 1.424 5.522 ( -0.000 3.403 -0.557) 3.449 5.540 ( 0.000 5.489 -0.882) 5.559 5.893 ( -0.000 4.165 -6.265) 7.524 5.899 ( 0.000 3.165 -6.638) 7.354 6.398 ( 0.000 -7.068 -2.548) 7.513 6.567 ( 0.000 -0.510 4.890) 4.917 6.712 ( 0.000 -5.590 -6.751) 8.765 6.863 ( -0.000 -2.996 -0.362) 3.018 6.988 ( 0.000 -6.194 0.445) 6.210 7.149 ( 0.000 -2.979 8.185) 8.710 7.539 ( 0.000 -7.304 -7.375) 10.380 7.910 ( 0.000 -12.735 6.676) 14.379 8.304 ( 0.000 7.014 -0.177) 7.016 8.663 ( 0.000 6.209 1.647) 6.424 8.777 ( -0.000 0.275 14.850) 14.852 8.944 ( -0.000 8.198 18.408) 20.151 9.817 ( -0.000 9.363 -2.080) 9.591 9.870 ( 0.000 7.611 2.146) 7.908 10.390 ( -0.000 -12.911 0.866) 12.940 10.464 ( 0.000 -8.512 4.329) 9.550 10.686 ( -0.000 -3.603 -12.068) 12.595 10.889 ( 0.000 -3.814 -3.167) 4.957 10.956 ( 0.000 -7.788 -7.038) 10.497 11.125 ( 0.000 -0.615 1.803) 1.905 12.063 ( 0.000 -13.098 5.680) 14.277 12.150 ( 0.000 -11.701 8.915) 14.710 12.892 ( -0.000 2.274 -2.782) 3.593 12.968 ( 0.000 -0.355 0.111) 0.372 13.554 ( 0.000 13.395 -1.333) 13.462 13.660 ( -0.000 14.938 4.204) 15.518 14.174 ( -0.000 0.824 -7.030) 7.078 14.307 ( 0.000 3.323 0.550) 3.368 14.647 ( 0.000 4.321 -9.602) 10.530 14.838 ( 0.000 4.390 -2.644) 5.125 14.922 ( -0.000 1.264 -18.950) 18.992 15.086 ( 0.000 4.123 -13.049) 13.684 16.447 ( 0.000 -5.301 10.331) 11.611 16.456 ( -0.000 -4.352 10.071) 10.971 16.753 ( 0.000 -2.695 0.310) 2.713 16.798 ( -0.000 -2.494 1.715) 3.027 ======================= Grid point 108 (41/100) ======================= q-point: ( 0.00 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( 0.000 16.609 -1.905) 16.718 1.342 ( 0.000 16.446 8.147) 18.354 1.846 ( 0.000 0.270 -6.054) 6.060 2.042 ( 0.000 -8.498 -3.411) 9.157 2.072 ( 0.000 0.367 0.733) 0.819 2.152 ( 0.000 -8.192 -0.467) 8.205 2.259 ( 0.000 7.192 -1.511) 7.349 2.297 ( 0.000 -7.860 0.178) 7.862 2.544 ( 0.000 2.284 1.591) 2.783 2.611 ( 0.000 -2.589 -2.140) 3.359 2.903 ( 0.000 -2.336 -4.506) 5.075 2.906 ( 0.000 -4.886 -8.692) 9.971 3.513 ( 0.000 -0.139 5.792) 5.793 3.802 ( 0.000 -2.364 14.349) 14.542 4.183 ( 0.000 12.958 2.333) 13.166 4.356 ( 0.000 13.796 0.566) 13.807 4.545 ( 0.000 19.826 -2.119) 19.939 4.577 ( 0.000 7.509 3.013) 8.091 5.156 ( 0.000 -1.672 -1.231) 2.076 5.239 ( 0.000 -4.056 -2.955) 5.019 5.488 ( 0.000 -15.318 1.618) 15.403 5.550 ( 0.000 -12.340 1.126) 12.391 5.769 ( 0.000 -14.393 2.814) 14.665 5.922 ( 0.000 -15.084 3.214) 15.422 6.425 ( 0.000 -3.066 -1.048) 3.240 6.492 ( 0.000 -2.739 -3.928) 4.788 6.763 ( 0.000 1.906 0.890) 2.104 6.956 ( 0.000 -8.961 -3.148) 9.498 7.374 ( 0.000 -0.390 1.959) 1.998 7.380 ( 0.000 -1.211 3.082) 3.312 7.848 ( 0.000 2.118 -2.854) 3.554 7.896 ( 0.000 2.500 5.714) 6.236 8.110 ( 0.000 9.322 6.114) 11.148 8.260 ( 0.000 0.328 8.491) 8.497 8.775 ( 0.000 0.053 8.133) 8.133 8.942 ( 0.000 -5.268 6.476) 8.348 9.858 ( 0.000 7.893 -3.423) 8.603 10.096 ( 0.000 5.368 -3.745) 6.545 10.253 ( 0.000 16.490 -3.560) 16.869 10.437 ( 0.000 8.417 -4.119) 9.371 10.645 ( 0.000 8.544 -2.544) 8.915 11.064 ( 0.000 -3.680 -8.653) 9.403 11.123 ( 0.000 -4.596 7.177) 8.523 11.392 ( 0.000 -2.055 5.195) 5.587 11.790 ( 0.000 -1.417 3.339) 3.627 12.241 ( 0.000 4.680 3.603) 5.906 12.265 ( 0.000 1.814 -3.590) 4.022 12.454 ( 0.000 -13.043 4.096) 13.671 13.472 ( 0.000 -9.244 -1.837) 9.425 13.498 ( 0.000 -5.467 -6.294) 8.337 14.443 ( 0.000 4.725 -6.169) 7.771 14.468 ( 0.000 -1.446 -5.838) 6.015 14.610 ( 0.000 -0.025 -0.406) 0.407 14.790 ( 0.000 -6.447 -6.994) 9.512 14.900 ( 0.000 3.510 -2.314) 4.204 15.158 ( 0.000 2.096 -7.449) 7.738 16.339 ( 0.000 3.549 7.041) 7.885 16.527 ( 0.000 -3.029 1.670) 3.459 16.708 ( 0.000 6.650 3.879) 7.699 16.994 ( 0.000 -2.558 -0.090) 2.559 ======================= Grid point 109 (42/100) ======================= q-point: ( 0.12 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( 6.901 14.020 -0.057) 15.627 1.424 ( 6.909 15.735 4.213) 17.694 1.838 ( -0.923 1.252 -5.863) 6.065 2.001 ( -1.933 -5.066 -2.613) 6.019 2.119 ( -1.000 -1.393 -4.214) 4.549 2.153 ( 2.029 -4.861 2.078) 5.662 2.254 ( 0.796 -1.329 0.044) 1.549 2.296 ( -0.513 -4.594 -1.486) 4.855 2.528 ( -1.054 0.519 2.147) 2.447 2.612 ( 0.253 -2.362 -0.437) 2.416 2.840 ( -3.130 -1.874 -6.836) 7.748 2.930 ( -0.114 -3.289 -6.682) 7.449 3.506 ( -0.166 0.203 5.990) 5.995 3.751 ( -6.359 1.340 9.711) 11.685 3.948 ( -11.638 9.130 6.496) 16.156 4.270 ( -7.993 12.336 3.332) 15.072 4.617 ( 8.623 8.302 0.348) 11.975 4.825 ( 9.691 9.041 -1.544) 13.343 5.041 ( -5.372 -5.780 -0.252) 7.895 5.215 ( -6.352 -9.044 0.606) 11.068 5.422 ( -1.123 -5.310 -2.385) 5.928 5.556 ( -1.530 -12.579 2.640) 12.943 5.826 ( 4.980 -8.543 0.878) 9.928 5.964 ( 3.191 -12.797 1.147) 13.238 6.409 ( -1.394 -2.669 -0.255) 3.022 6.506 ( 0.712 -1.911 -3.431) 3.991 6.647 ( -8.743 1.063 2.176) 9.072 6.919 ( -3.155 -7.806 -1.702) 8.590 7.247 ( -7.898 5.056 1.889) 9.566 7.499 ( 5.092 -3.371 2.226) 6.500 7.735 ( -5.755 0.943 -2.723) 6.436 7.915 ( -1.465 1.644 8.375) 8.660 8.165 ( 3.621 4.263 1.016) 5.685 8.306 ( 5.009 4.607 6.105) 9.143 8.904 ( 7.863 -0.315 6.788) 10.392 8.950 ( 2.323 -5.307 9.082) 10.773 9.847 ( -2.632 6.001 -4.522) 7.962 9.987 ( -5.176 6.396 -0.691) 8.257 10.166 ( -6.258 6.922 -1.002) 9.386 10.481 ( 3.245 11.312 -2.549) 12.041 10.637 ( -2.247 6.319 -2.775) 7.258 11.021 ( -6.853 -6.905 -0.311) 9.734 11.056 ( -1.421 -1.554 -3.340) 3.948 11.273 ( -8.652 -3.987 4.087) 10.366 11.909 ( 6.880 -5.599 3.176) 9.422 12.138 ( -0.840 10.711 2.632) 11.062 12.357 ( -5.081 -17.476 4.460) 18.738 12.562 ( 16.342 7.099 0.411) 17.822 13.449 ( 1.430 -7.381 -6.225) 9.761 13.659 ( 9.617 -3.889 -4.757) 11.412 14.421 ( -4.071 -1.466 -6.136) 7.508 14.455 ( -0.245 3.735 -6.222) 7.261 14.562 ( -1.000 2.394 0.127) 2.598 14.869 ( 0.656 2.085 -5.443) 5.865 14.904 ( 4.630 -3.801 -6.745) 9.021 15.187 ( 2.013 0.018 -5.905) 6.238 16.331 ( -0.847 2.752 6.154) 6.794 16.484 ( -3.252 -1.873 4.989) 6.243 16.707 ( -0.396 4.896 2.510) 5.516 16.975 ( -1.835 -2.745 0.015) 3.301 ======================= Grid point 110 (43/100) ======================= q-point: ( 0.25 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( 7.475 10.398 2.633) 13.074 1.614 ( 11.095 11.586 -2.226) 16.196 1.811 ( -1.100 2.657 -5.073) 5.831 1.963 ( -2.034 -4.422 -2.586) 5.511 2.067 ( -2.836 -3.441 -0.450) 4.481 2.163 ( -0.175 0.248 -0.697) 0.760 2.250 ( -1.541 0.116 -4.632) 4.883 2.330 ( 2.690 -5.583 1.285) 6.329 2.511 ( -1.034 -1.288 1.553) 2.267 2.610 ( -1.448 -5.486 2.862) 6.355 2.792 ( -1.295 -0.744 -7.322) 7.473 2.926 ( 1.298 0.509 -7.241) 7.374 3.510 ( -0.253 1.024 3.944) 4.082 3.563 ( -6.543 2.311 2.134) 7.260 3.811 ( -4.032 -2.259 11.664) 12.547 4.139 ( -3.648 7.262 8.629) 11.854 4.599 ( -14.106 -10.310 -0.788) 17.489 4.877 ( 4.526 2.323 1.850) 5.414 4.972 ( -11.215 -12.909 2.087) 17.227 5.184 ( 7.973 1.360 0.288) 8.093 5.404 ( 0.637 1.890 -1.054) 2.255 5.572 ( 2.531 -2.857 -0.608) 3.866 5.933 ( 4.377 -2.016 -2.501) 5.429 6.014 ( 0.871 -7.127 -3.159) 7.844 6.355 ( -4.554 -1.931 1.921) 5.306 6.448 ( -4.099 -0.947 0.718) 4.268 6.551 ( 0.135 0.771 -0.979) 1.254 6.847 ( -3.742 -6.194 1.531) 7.397 7.075 ( -6.629 3.354 0.909) 7.484 7.513 ( -5.963 -4.959 -1.750) 7.951 7.605 ( -7.089 -2.015 -1.654) 7.553 7.858 ( -3.763 -1.936 9.801) 10.675 8.233 ( 3.996 1.355 -0.195) 4.224 8.463 ( 8.973 6.153 1.940) 11.052 8.906 ( -1.646 -0.593 10.473) 10.618 9.122 ( 6.076 -1.753 9.229) 11.188 9.726 ( -4.241 5.549 -0.689) 7.018 10.005 ( 3.334 5.166 1.261) 6.277 10.129 ( 4.759 -4.233 -3.187) 7.122 10.486 ( -7.144 8.135 0.704) 10.850 10.560 ( -1.752 -0.789 -4.035) 4.469 10.857 ( -5.781 -4.281 -0.807) 7.239 11.022 ( -3.251 -2.136 -4.690) 6.093 11.149 ( -2.626 -1.896 2.870) 4.328 11.925 ( -1.877 -6.848 5.691) 9.099 12.156 ( -8.268 -14.427 7.463) 18.227 12.358 ( 13.741 11.425 1.004) 17.898 12.950 ( 18.236 4.425 -0.325) 18.768 13.481 ( 0.578 0.650 -6.713) 6.769 13.853 ( 8.864 -0.632 -5.966) 10.704 14.304 ( -6.638 3.139 -1.744) 7.547 14.423 ( -2.299 -0.507 -7.167) 7.544 14.605 ( 3.932 3.473 -2.594) 5.853 14.857 ( -0.392 5.732 -7.496) 9.444 15.002 ( 2.534 -5.188 -9.732) 11.316 15.209 ( -0.457 -1.771 -5.573) 5.865 16.311 ( -0.447 0.783 5.820) 5.890 16.423 ( -2.356 -2.270 9.437) 9.989 16.690 ( -1.046 2.564 1.539) 3.168 16.916 ( -3.727 -3.232 0.266) 4.940 ======================= Grid point 111 (44/100) ======================= q-point: ( 0.38 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.662 ( 3.014 4.769 0.850) 5.706 1.777 ( -0.587 0.837 -1.807) 2.076 1.846 ( 6.634 3.932 -4.233) 8.797 1.945 ( 2.090 -1.040 -2.483) 3.408 2.018 ( -1.561 2.209 2.265) 3.528 2.157 ( -1.458 0.568 -4.511) 4.775 2.260 ( 3.512 3.035 -1.381) 4.843 2.343 ( -0.806 -2.834 0.228) 2.955 2.454 ( -4.577 -0.590 2.577) 5.285 2.531 ( -5.644 -4.770 2.206) 7.712 2.806 ( 3.580 0.249 -8.062) 8.824 2.990 ( 2.328 2.832 -8.609) 9.357 3.488 ( 1.844 -3.167 1.879) 4.118 3.582 ( 5.175 -9.167 -0.041) 10.527 3.736 ( -2.946 -6.777 9.149) 11.761 4.096 ( -4.307 -4.843 6.219) 8.982 4.282 ( -10.539 -7.737 6.909) 14.787 4.605 ( -16.595 -11.479 8.075) 21.734 5.077 ( 7.839 3.297 -0.457) 8.516 5.292 ( 2.211 -0.697 1.091) 2.562 5.465 ( 4.623 3.023 0.686) 5.566 5.622 ( 1.100 1.598 -3.106) 3.662 5.955 ( -1.430 -0.146 -5.563) 5.746 6.024 ( -0.384 1.660 -4.226) 4.557 6.260 ( -2.171 -4.235 -1.554) 5.006 6.461 ( 4.260 -4.003 1.573) 6.053 6.576 ( 2.362 0.977 -0.018) 2.556 6.762 ( -3.795 -5.361 2.157) 6.913 6.978 ( -4.314 -3.745 2.041) 6.067 7.253 ( -15.513 -6.965 1.471) 17.068 7.466 ( -5.407 -5.090 -4.269) 8.565 7.768 ( -4.233 -5.729 8.310) 10.945 8.337 ( 5.316 3.209 -0.486) 6.229 8.665 ( 9.573 5.579 2.356) 11.327 8.860 ( -3.068 2.327 11.986) 12.589 9.134 ( -3.434 1.568 10.202) 10.878 9.770 ( 7.508 5.941 -0.135) 9.575 10.099 ( 5.519 -0.891 1.434) 5.772 10.205 ( -6.983 -1.628 -3.691) 8.064 10.322 ( -0.422 -6.604 1.361) 6.756 10.543 ( 1.457 -0.376 -2.951) 3.313 10.822 ( 0.794 -0.914 -6.718) 6.826 10.918 ( -5.984 -3.678 -1.807) 7.253 11.121 ( -0.994 -0.422 3.175) 3.354 11.894 ( -1.514 -6.290 7.483) 9.892 11.996 ( -4.968 -11.471 9.830) 15.903 12.683 ( 15.759 9.656 -1.100) 18.514 13.178 ( -1.122 -2.761 -4.374) 5.293 13.551 ( 10.319 14.169 -2.563) 17.715 14.021 ( 4.579 0.600 -5.415) 7.117 14.154 ( -5.570 6.370 0.496) 8.477 14.378 ( -2.029 -1.470 -4.142) 4.841 14.687 ( 3.289 3.540 -6.843) 8.378 14.859 ( 0.861 4.103 -8.410) 9.397 14.996 ( -2.667 -2.177 -12.199) 12.675 15.170 ( -2.693 -0.913 -8.148) 8.630 16.327 ( 1.619 -1.950 8.431) 8.804 16.385 ( -1.191 -3.881 10.695) 11.439 16.679 ( 0.395 0.144 1.245) 1.314 16.823 ( -4.847 -3.463 0.587) 5.986 ======================= Grid point 112 (45/100) ======================= q-point: (-0.50 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( -0.000 1.505 -0.779) 1.695 1.736 ( 0.000 -1.738 -0.973) 1.992 1.938 ( -0.000 -2.265 1.433) 2.681 1.960 ( 0.000 1.401 2.901) 3.222 2.020 ( -0.000 5.160 -8.739) 10.148 2.136 ( 0.000 6.434 -5.568) 8.508 2.327 ( -0.000 0.884 1.902) 2.097 2.336 ( 0.000 1.011 2.826) 3.001 2.405 ( -0.000 -0.575 0.351) 0.673 2.417 ( 0.000 -3.241 1.903) 3.758 2.883 ( 0.000 1.542 -9.987) 10.105 2.985 ( 0.000 3.403 -8.892) 9.521 3.566 ( -0.000 -8.800 5.266) 10.255 3.610 ( 0.000 -9.713 4.511) 10.710 3.828 ( -0.000 -15.515 -2.486) 15.713 3.856 ( 0.000 -13.625 -2.776) 13.905 4.312 ( -0.000 -2.953 13.572) 13.890 4.330 ( 0.000 -3.547 15.807) 16.200 5.179 ( 0.000 1.372 -1.932) 2.369 5.296 ( 0.000 1.708 2.422) 2.964 5.569 ( -0.000 -1.782 -1.997) 2.676 5.587 ( 0.000 4.754 -0.988) 4.856 5.960 ( 0.000 0.396 -4.428) 4.446 5.982 ( -0.000 4.375 -4.437) 6.231 6.256 ( 0.000 -6.264 -5.782) 8.525 6.569 ( 0.000 -7.098 -5.877) 9.215 6.580 ( -0.000 1.662 7.438) 7.621 6.753 ( -0.000 -6.745 2.983) 7.375 6.865 ( 0.000 -6.504 -0.941) 6.571 7.056 ( 0.000 -6.271 7.857) 10.053 7.411 ( -0.000 -5.266 -5.995) 7.980 7.716 ( 0.000 -6.938 7.556) 10.258 8.407 ( 0.000 4.625 -0.992) 4.730 8.796 ( 0.000 2.531 14.365) 14.586 8.809 ( -0.000 6.460 -0.204) 6.464 9.072 ( 0.000 3.410 11.913) 12.392 9.963 ( 0.000 4.203 -1.899) 4.612 9.990 ( -0.000 1.584 -0.234) 1.602 10.183 ( -0.000 -4.289 0.035) 4.289 10.319 ( 0.000 -5.263 4.625) 7.007 10.608 ( -0.000 -5.068 -9.107) 10.422 10.820 ( 0.000 -2.859 1.999) 3.489 10.840 ( -0.000 -2.970 -10.201) 10.625 11.107 ( 0.000 0.106 4.948) 4.950 11.867 ( 0.000 -7.373 7.208) 10.311 11.956 ( 0.000 -7.767 11.733) 14.070 12.975 ( -0.000 5.381 -4.129) 6.783 13.010 ( 0.000 4.109 -3.122) 5.160 13.777 ( 0.000 8.648 -5.045) 10.012 13.922 ( -0.000 11.062 3.404) 11.574 14.183 ( -0.000 -0.040 -7.018) 7.018 14.343 ( 0.000 -0.044 2.560) 2.561 14.722 ( 0.000 3.566 -11.077) 11.637 14.899 ( 0.000 2.849 -4.494) 5.321 14.930 ( -0.000 -0.833 -15.520) 15.542 15.133 ( 0.000 0.258 -10.741) 10.745 16.346 ( 0.000 -4.438 10.737) 11.618 16.377 ( -0.000 -3.329 10.288) 10.813 16.705 ( 0.000 -2.032 0.203) 2.042 16.745 ( -0.000 -2.636 1.354) 2.963 ======================= Grid point 117 (46/100) ======================= q-point: ( 0.00 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( 0.000 10.264 -4.864) 11.358 1.635 ( 0.000 11.284 4.710) 12.228 1.778 ( 0.000 -4.009 -6.379) 7.534 1.924 ( 0.000 -11.190 1.497) 11.290 2.003 ( 0.000 2.742 0.783) 2.852 2.038 ( 0.000 -3.179 0.256) 3.189 2.206 ( 0.000 -0.301 -0.985) 1.030 2.306 ( 0.000 -5.077 -2.528) 5.671 2.536 ( 0.000 0.274 1.461) 1.486 2.576 ( 0.000 -0.467 -0.423) 0.630 2.844 ( 0.000 -0.299 -12.781) 12.784 2.883 ( 0.000 -2.352 -14.398) 14.589 3.609 ( 0.000 7.614 13.815) 15.774 3.735 ( 0.000 -4.694 15.461) 16.158 4.476 ( 0.000 16.180 1.988) 16.301 4.589 ( 0.000 7.557 0.845) 7.604 4.728 ( 0.000 6.671 3.531) 7.547 4.856 ( 0.000 5.360 -1.532) 5.574 5.049 ( 0.000 -8.464 0.307) 8.469 5.113 ( 0.000 -2.195 0.266) 2.211 5.235 ( 0.000 -7.443 1.560) 7.605 5.282 ( 0.000 -12.928 -1.107) 12.976 5.599 ( 0.000 -2.123 3.591) 4.171 5.675 ( 0.000 -8.998 4.367) 10.002 6.395 ( 0.000 0.251 -2.674) 2.686 6.430 ( 0.000 -2.937 -3.594) 4.642 6.766 ( 0.000 0.059 -1.462) 1.463 6.811 ( 0.000 -4.951 -2.656) 5.618 7.377 ( 0.000 0.238 4.098) 4.105 7.377 ( 0.000 0.244 3.040) 3.050 7.889 ( 0.000 1.876 -0.457) 1.931 7.913 ( 0.000 -0.384 2.858) 2.884 8.241 ( 0.000 3.575 6.375) 7.310 8.270 ( 0.000 0.055 7.250) 7.250 8.819 ( 0.000 3.223 9.495) 10.027 8.874 ( 0.000 -2.365 9.435) 9.727 9.999 ( 0.000 6.673 -6.417) 9.258 10.109 ( 0.000 -3.541 -5.380) 6.441 10.581 ( 0.000 11.182 -7.119) 13.255 10.590 ( 0.000 6.212 -6.345) 8.879 10.797 ( 0.000 7.680 -3.416) 8.405 10.963 ( 0.000 -7.039 -5.607) 8.999 11.087 ( 0.000 3.689 8.541) 9.303 11.272 ( 0.000 -10.751 5.189) 11.937 11.780 ( 0.000 4.920 5.732) 7.554 12.005 ( 0.000 -16.226 3.805) 16.666 12.420 ( 0.000 9.599 1.182) 9.671 12.494 ( 0.000 3.316 -0.215) 3.322 13.325 ( 0.000 -3.808 -0.920) 3.917 13.364 ( 0.000 -6.486 -2.578) 6.980 14.459 ( 0.000 0.669 -6.817) 6.850 14.483 ( 0.000 -0.703 -9.284) 9.311 14.615 ( 0.000 1.969 -2.650) 3.301 14.683 ( 0.000 -4.531 -6.533) 7.951 15.025 ( 0.000 7.429 -2.316) 7.781 15.142 ( 0.000 -3.730 -4.702) 6.002 16.397 ( 0.000 2.867 6.564) 7.163 16.460 ( 0.000 -3.503 4.353) 5.588 16.834 ( 0.000 5.770 1.090) 5.873 16.930 ( 0.000 -3.966 0.044) 3.967 ======================= Grid point 118 (47/100) ======================= q-point: ( 0.12 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( 2.944 8.592 -1.725) 9.245 1.681 ( 3.588 6.133 0.432) 7.118 1.818 ( 3.143 0.396 -5.302) 6.176 1.952 ( 0.763 -4.601 -0.828) 4.737 2.006 ( 0.891 0.218 -0.091) 0.922 2.082 ( 4.480 -3.682 1.158) 5.914 2.184 ( -1.673 -0.684 -0.259) 1.826 2.275 ( -2.194 -5.294 -1.848) 6.021 2.505 ( -2.410 0.878 1.538) 2.990 2.563 ( -1.327 -2.356 0.189) 2.711 2.826 ( -1.303 0.821 -12.706) 12.799 2.890 ( 0.440 -2.379 -13.343) 13.561 3.588 ( -1.846 5.760 12.837) 14.190 3.719 ( -1.904 -3.286 14.632) 15.117 4.222 ( -16.587 16.727 1.161) 23.586 4.472 ( -12.266 2.216 0.618) 12.480 4.723 ( -10.112 0.567 2.127) 10.349 4.849 ( 1.482 3.475 2.907) 4.767 4.948 ( -12.218 -12.773 1.971) 17.785 4.993 ( 6.596 -5.153 2.135) 8.638 5.354 ( 6.266 -1.967 -2.819) 7.147 5.422 ( 6.684 -0.110 1.482) 6.847 5.691 ( 8.278 -4.425 0.683) 9.411 5.771 ( 8.055 -5.789 2.488) 10.226 6.386 ( -0.700 0.420 -1.803) 1.979 6.443 ( 0.338 -3.327 -2.819) 4.373 6.651 ( -6.813 -0.184 -1.821) 7.054 6.808 ( -1.854 -2.945 0.914) 3.598 7.345 ( -3.149 3.964 2.029) 5.454 7.445 ( 2.848 -2.368 2.320) 4.370 7.745 ( -7.415 0.223 -2.920) 7.972 7.938 ( -3.008 0.558 9.419) 9.904 8.228 ( 1.126 2.126 -0.284) 2.423 8.388 ( 6.235 2.300 6.323) 9.173 8.855 ( 2.880 -1.720 8.627) 9.256 8.932 ( 6.119 0.301 10.588) 12.232 9.942 ( -3.685 3.399 -5.654) 7.556 10.005 ( -7.149 -1.307 -4.965) 8.802 10.384 ( -12.333 8.725 -4.353) 15.722 10.655 ( -3.833 4.031 -5.164) 7.590 10.760 ( -1.720 6.498 -2.794) 7.280 10.914 ( -4.766 -2.757 -2.025) 5.866 11.021 ( -2.629 0.441 3.062) 4.060 11.158 ( -6.291 -8.570 4.436) 11.519 11.824 ( 1.451 0.460 6.177) 6.362 12.015 ( -1.696 -12.264 7.474) 14.462 12.448 ( 5.349 13.794 0.190) 14.796 12.640 ( 11.817 -1.993 -0.550) 11.996 13.350 ( 6.393 -1.555 -6.172) 9.021 13.552 ( 12.003 -5.262 -0.460) 13.114 14.403 ( -3.792 -0.268 -9.227) 9.979 14.473 ( -2.026 -0.590 -5.010) 5.436 14.631 ( 2.207 4.209 -4.476) 6.529 14.762 ( 5.761 -5.593 -7.054) 10.688 15.019 ( -0.496 7.332 -2.854) 7.884 15.148 ( 0.260 -4.149 -4.326) 6.000 16.368 ( -2.425 1.281 5.777) 6.395 16.443 ( -1.683 -1.779 6.300) 6.759 16.811 ( -2.105 4.958 0.610) 5.421 16.910 ( -1.961 -3.688 0.312) 4.188 ======================= Grid point 119 (48/100) ======================= q-point: ( 0.25 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( 3.345 3.723 -0.141) 5.007 1.762 ( 2.973 -1.161 -0.444) 3.223 1.879 ( 2.944 5.715 -4.390) 7.785 1.924 ( -3.035 2.314 -0.245) 3.825 2.041 ( 2.601 1.353 -2.763) 4.029 2.135 ( -0.843 -3.896 -1.281) 4.187 2.212 ( 5.160 -1.305 1.184) 5.452 2.276 ( 2.629 -3.370 -1.479) 4.523 2.451 ( -2.606 -0.249 2.067) 3.335 2.518 ( -2.988 -4.382 1.080) 5.412 2.812 ( 0.575 2.939 -11.274) 11.665 2.906 ( 1.516 -2.847 -11.522) 11.965 3.538 ( -2.954 3.052 9.359) 10.278 3.642 ( -5.283 -1.208 10.436) 11.759 3.884 ( -14.506 13.292 1.317) 19.719 4.182 ( -14.909 -10.341 -1.143) 18.180 4.437 ( -11.789 3.269 7.863) 14.543 4.654 ( -13.765 -14.784 5.887) 21.040 5.000 ( 8.176 6.567 1.268) 10.563 5.135 ( 6.378 -5.396 2.505) 8.722 5.443 ( 3.559 1.507 -0.609) 3.912 5.550 ( 5.415 -0.631 0.989) 5.541 5.886 ( 8.047 -0.622 -2.155) 8.354 5.920 ( 4.914 -2.893 -4.165) 7.061 6.354 ( -2.938 1.635 0.270) 3.373 6.410 ( -2.701 -3.039 0.562) 4.104 6.564 ( -0.937 0.730 -2.310) 2.597 6.765 ( -1.993 -2.149 3.560) 4.612 7.196 ( -10.572 7.631 0.241) 13.041 7.389 ( -10.002 -7.251 0.289) 12.358 7.567 ( -9.912 -1.230 -3.992) 10.756 7.828 ( -6.743 -0.986 8.957) 11.254 8.274 ( 4.307 1.968 -0.361) 4.749 8.507 ( 6.366 -0.775 6.231) 8.941 8.934 ( 3.874 3.347 7.908) 9.421 9.077 ( 5.387 -2.788 8.494) 10.437 9.855 ( -1.952 6.628 -3.220) 7.623 9.982 ( 3.842 -4.885 -4.426) 7.630 10.165 ( -6.536 3.560 -0.481) 7.458 10.407 ( -13.277 -4.875 1.650) 14.239 10.739 ( -5.134 8.639 -2.576) 10.375 10.828 ( -0.995 0.231 -6.709) 6.786 10.950 ( -4.809 -3.669 0.745) 6.094 11.123 ( 1.472 -1.546 3.242) 3.882 11.822 ( -0.671 -1.836 8.951) 9.162 11.918 ( -5.936 -7.950 10.241) 14.259 12.648 ( 12.115 14.786 -1.529) 19.176 12.907 ( 11.971 -8.273 -1.918) 14.678 13.556 ( 11.716 5.357 -7.564) 14.939 13.799 ( 10.876 -4.009 -2.514) 11.861 14.321 ( -3.907 -0.061 -7.364) 8.336 14.402 ( -4.219 -1.040 -2.681) 5.106 14.696 ( 3.477 4.971 -7.018) 9.277 14.870 ( 3.519 -5.094 -7.760) 9.927 15.009 ( -0.305 6.720 -4.733) 8.225 15.140 ( -1.148 -5.090 -4.809) 7.096 16.318 ( -1.718 0.067 6.220) 6.454 16.390 ( -3.198 -0.888 8.782) 9.388 16.756 ( -2.889 3.622 0.328) 4.645 16.847 ( -3.981 -3.527 0.621) 5.355 ======================= Grid point 120 (49/100) ======================= q-point: ( 0.38 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.714 ( -0.065 1.790 -0.503) 1.861 1.803 ( 1.140 -3.153 0.965) 3.489 1.853 ( -2.942 3.605 1.321) 4.837 1.920 ( 0.257 -1.531 -0.197) 1.565 2.104 ( 1.964 3.318 -3.384) 5.130 2.178 ( 4.397 0.358 -3.755) 5.793 2.301 ( 3.445 0.660 -1.306) 3.743 2.317 ( 1.042 0.484 0.152) 1.159 2.406 ( -1.803 -1.138 1.442) 2.573 2.455 ( -2.363 -3.749 0.413) 4.451 2.862 ( 3.751 5.120 -8.784) 10.837 2.975 ( 4.885 -4.193 -9.503) 11.478 3.470 ( -3.004 0.299 2.720) 4.064 3.523 ( -5.302 -0.614 5.131) 7.404 3.641 ( -8.216 2.573 0.366) 8.618 3.861 ( -14.757 -14.376 -3.168) 20.844 4.285 ( -3.010 4.334 14.622) 15.545 4.407 ( -9.058 -8.096 12.067) 17.123 5.154 ( 5.736 3.616 -1.813) 7.019 5.257 ( 5.120 -2.361 2.060) 6.003 5.504 ( 1.622 0.327 -1.465) 2.210 5.657 ( 4.778 2.281 3.226) 6.200 5.907 ( -2.151 -2.775 -6.146) 7.078 6.041 ( 3.839 0.190 -4.414) 5.853 6.240 ( -5.967 0.540 -2.533) 6.505 6.420 ( 2.809 -0.416 0.870) 2.969 6.581 ( 2.116 -0.307 -1.267) 2.485 6.705 ( -4.325 -1.081 3.745) 5.822 6.948 ( -11.992 2.181 3.107) 12.579 7.082 ( -14.805 -8.973 2.530) 17.496 7.392 ( -5.388 -2.089 -5.357) 7.880 7.691 ( -5.385 -2.011 7.737) 9.638 8.404 ( 6.780 2.649 -0.484) 7.295 8.685 ( 9.999 -1.373 6.550) 12.032 8.963 ( -1.645 6.273 6.350) 9.076 9.114 ( -1.346 -3.048 7.159) 7.897 9.883 ( 2.824 4.770 0.219) 5.548 10.023 ( -1.870 -6.199 0.328) 6.483 10.150 ( 3.644 1.160 -0.871) 3.922 10.259 ( 0.988 -2.949 -0.492) 3.149 10.593 ( -7.378 3.139 -3.564) 8.775 10.807 ( -2.105 -1.746 -2.398) 3.637 10.858 ( -3.095 -0.838 -4.911) 5.866 11.147 ( 0.403 1.789 3.528) 3.976 11.793 ( -2.930 -3.134 10.752) 11.577 11.842 ( -0.078 -4.132 12.268) 12.945 12.900 ( 10.999 10.808 -3.659) 15.849 13.088 ( 4.417 -6.631 -4.828) 9.316 13.782 ( 8.875 8.206 -6.400) 13.677 13.996 ( 7.531 -2.535 -3.154) 8.549 14.235 ( -4.363 1.951 -3.217) 5.761 14.331 ( -1.913 -2.329 -0.337) 3.033 14.763 ( 2.692 3.976 -10.442) 11.493 14.895 ( -0.419 -2.498 -7.773) 8.175 14.997 ( -1.495 4.340 -6.978) 8.352 15.111 ( -1.002 -4.463 -7.742) 8.992 16.307 ( -0.217 -0.101 8.675) 8.678 16.326 ( -1.794 -1.982 9.861) 10.217 16.701 ( -2.073 2.059 0.780) 3.025 16.756 ( -4.191 -3.240 0.584) 5.329 ======================= Grid point 121 (50/100) ======================= q-point: (-0.50 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.726 ( -0.000 0.840 -1.771) 1.960 1.778 ( 0.000 5.798 2.570) 6.342 1.849 ( 0.000 -4.261 0.548) 4.296 1.912 ( 0.000 -6.030 4.510) 7.530 2.112 ( 0.000 2.305 -5.934) 6.365 2.230 ( 0.000 1.928 -1.796) 2.635 2.345 ( 0.000 1.004 -2.833) 3.005 2.347 ( -0.000 2.341 -0.672) 2.436 2.397 ( -0.000 -0.987 -0.053) 0.989 2.409 ( 0.000 0.275 2.403) 2.418 2.920 ( 0.000 1.631 -8.595) 8.748 3.045 ( 0.000 2.145 -8.282) 8.555 3.444 ( 0.000 -2.665 1.834) 3.235 3.451 ( 0.000 -5.097 1.085) 5.211 3.572 ( -0.000 -8.739 -2.218) 9.016 3.653 ( 0.000 -5.817 -2.947) 6.521 4.278 ( -0.000 -0.777 15.513) 15.533 4.294 ( 0.000 -0.688 17.282) 17.296 5.217 ( 0.000 1.714 -3.574) 3.964 5.321 ( 0.000 0.620 1.301) 1.441 5.513 ( 0.000 -2.542 -2.548) 3.599 5.716 ( 0.000 6.950 3.513) 7.788 5.889 ( 0.000 -5.619 -3.997) 6.895 6.052 ( 0.000 2.188 -1.799) 2.833 6.186 ( 0.000 -1.260 -9.192) 9.278 6.474 ( 0.000 -2.515 -6.449) 6.922 6.610 ( -0.000 1.140 8.305) 8.383 6.653 ( 0.000 -2.942 4.023) 4.984 6.750 ( 0.000 -3.892 -0.583) 3.935 6.935 ( 0.000 -4.382 8.162) 9.265 7.341 ( 0.000 -1.766 -5.836) 6.097 7.631 ( 0.000 -1.963 7.279) 7.539 8.490 ( 0.000 2.939 -1.549) 3.322 8.866 ( 0.000 3.338 12.526) 12.963 8.882 ( -0.000 1.278 -0.476) 1.364 9.078 ( 0.000 -1.477 7.824) 7.962 9.926 ( 0.000 -3.304 0.778) 3.395 9.973 ( 0.000 -1.506 3.054) 3.405 10.244 ( -0.000 5.267 -1.410) 5.452 10.285 ( 0.000 0.755 -0.133) 0.766 10.492 ( 0.000 -5.386 -7.120) 8.928 10.769 ( 0.000 -2.013 6.956) 7.241 10.829 ( 0.000 0.614 -13.187) 13.201 11.148 ( 0.000 2.701 3.935) 4.773 11.757 ( 0.000 -3.415 10.239) 10.793 11.850 ( 0.000 -2.882 14.085) 14.377 13.066 ( -0.000 2.890 -5.758) 6.443 13.089 ( 0.000 2.708 -5.696) 6.307 13.888 ( 0.000 2.725 -7.401) 7.887 14.081 ( 0.000 4.653 3.249) 5.675 14.175 ( -0.000 -0.465 -6.596) 6.612 14.316 ( 0.000 -1.775 3.324) 3.768 14.794 ( 0.000 3.551 -13.941) 14.387 14.890 ( 0.000 -2.766 -10.064) 10.437 14.965 ( 0.000 3.202 -3.847) 5.005 15.103 ( 0.000 -2.437 -10.678) 10.953 16.285 ( 0.000 -1.630 10.602) 10.726 16.332 ( 0.000 -1.188 10.016) 10.086 16.677 ( 0.000 -0.743 0.264) 0.789 16.705 ( 0.000 -1.141 0.958) 1.490 ======================= Grid point 162 (51/100) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.925 ( 0.000 0.000 21.719) 21.719 0.982 ( 0.000 0.000 22.246) 22.246 1.684 ( 0.000 0.000 -14.963) 14.963 1.711 ( 0.000 0.000 -8.191) 8.191 1.769 ( 0.000 0.000 32.614) 32.614 2.315 ( 0.000 0.000 6.869) 6.869 2.392 ( 0.000 0.000 3.851) 3.851 2.449 ( 0.000 0.000 2.701) 2.701 2.824 ( 0.000 0.000 -0.447) 0.447 2.871 ( 0.000 0.000 -9.767) 9.767 2.974 ( 0.000 0.000 -6.579) 6.579 3.073 ( 0.000 0.000 -16.110) 16.110 3.593 ( 0.000 0.000 4.884) 4.884 3.633 ( 0.000 0.000 2.013) 2.013 3.750 ( 0.000 0.000 -3.381) 3.381 3.799 ( 0.000 0.000 -4.495) 4.495 4.265 ( 0.000 0.000 17.594) 17.594 4.630 ( 0.000 0.000 9.539) 9.539 4.849 ( 0.000 0.000 -9.653) 9.653 5.071 ( 0.000 0.000 -11.763) 11.763 5.662 ( 0.000 0.000 7.411) 7.411 6.018 ( 0.000 0.000 -9.606) 9.606 6.034 ( 0.000 0.000 8.265) 8.265 6.297 ( 0.000 0.000 4.528) 4.528 6.365 ( 0.000 0.000 -6.514) 6.514 6.510 ( 0.000 0.000 -4.485) 4.485 6.598 ( 0.000 0.000 3.242) 3.242 6.829 ( 0.000 0.000 -6.492) 6.492 7.466 ( 0.000 0.000 4.058) 4.058 7.531 ( 0.000 0.000 4.952) 4.952 7.691 ( 0.000 0.000 -5.288) 5.288 7.758 ( 0.000 0.000 -5.817) 5.817 8.082 ( 0.000 0.000 16.543) 16.543 8.738 ( 0.000 0.000 -13.467) 13.467 9.272 ( 0.000 0.000 9.849) 9.849 9.390 ( 0.000 0.000 1.140) 1.140 9.516 ( 0.000 0.000 8.565) 8.565 9.794 ( 0.000 0.000 -4.024) 4.024 9.844 ( 0.000 0.000 11.777) 11.777 10.191 ( 0.000 0.000 4.291) 4.291 10.553 ( 0.000 0.000 1.154) 1.154 10.895 ( 0.000 0.000 -18.049) 18.049 11.028 ( 0.000 0.000 0.411) 0.411 11.074 ( 0.000 0.000 -1.825) 1.825 12.172 ( 0.000 0.000 1.049) 1.049 12.199 ( 0.000 0.000 -0.195) 0.195 12.273 ( 0.000 0.000 21.228) 21.228 13.106 ( 0.000 0.000 -13.618) 13.618 13.689 ( 0.000 0.000 4.118) 4.118 13.734 ( 0.000 0.000 2.637) 2.637 13.843 ( 0.000 0.000 -2.330) 2.330 14.096 ( 0.000 0.000 -17.165) 17.165 14.657 ( 0.000 0.000 2.582) 2.582 14.823 ( 0.000 0.000 -5.236) 5.236 15.187 ( 0.000 0.000 -3.536) 3.536 15.218 ( 0.000 0.000 -3.739) 3.739 15.995 ( 0.000 0.000 8.414) 8.414 16.326 ( 0.000 0.000 -6.841) 6.841 16.777 ( 0.000 0.000 10.906) 10.906 17.034 ( 0.000 0.000 -2.334) 2.334 ======================= Grid point 163 (52/100) ======================= q-point: ( 0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( 8.611 0.000 18.797) 20.675 1.045 ( 5.396 0.000 18.691) 19.455 1.685 ( -1.622 0.000 -9.886) 10.018 1.732 ( 4.170 0.000 -14.767) 15.345 1.919 ( 13.940 0.000 27.270) 30.626 2.285 ( -2.897 0.000 6.623) 7.229 2.312 ( -5.823 0.000 4.516) 7.369 2.447 ( -1.537 0.000 -0.000) 1.537 2.791 ( -2.841 0.000 0.657) 2.916 2.841 ( -2.980 0.000 -8.402) 8.915 2.940 ( -10.719 0.000 -8.301) 13.557 2.956 ( -2.631 0.000 -6.171) 6.708 3.719 ( 11.490 0.000 4.590) 12.373 3.719 ( 4.375 0.000 -0.996) 4.487 3.829 ( 8.736 0.000 -6.738) 11.032 3.904 ( 9.601 0.000 -3.411) 10.188 4.310 ( 4.267 0.000 17.503) 18.016 4.584 ( -1.622 0.000 12.842) 12.944 4.896 ( 4.044 0.000 -9.440) 10.270 5.111 ( 3.080 0.000 -13.038) 13.397 5.656 ( -0.820 0.000 7.799) 7.842 5.958 ( -6.182 0.000 9.085) 10.989 6.018 ( -0.500 0.000 -9.370) 9.383 6.268 ( -1.936 0.000 3.315) 3.839 6.283 ( -7.289 0.000 -5.029) 8.856 6.461 ( -4.048 0.000 -4.575) 6.108 6.599 ( 3.433 0.000 4.910) 5.991 7.002 ( 7.447 0.000 -12.769) 14.782 7.379 ( -6.150 0.000 7.203) 9.471 7.526 ( -0.503 0.000 4.026) 4.057 7.721 ( -3.232 0.000 -4.348) 5.418 7.745 ( 3.189 0.000 -8.758) 9.320 8.223 ( 11.770 0.000 15.135) 19.173 8.830 ( 5.888 0.000 -12.915) 14.194 9.185 ( -7.484 0.000 10.527) 12.916 9.286 ( -7.907 0.000 2.762) 8.376 9.580 ( 5.693 0.000 8.782) 10.466 9.886 ( 9.012 0.000 -5.010) 10.311 9.886 ( 2.257 0.000 10.846) 11.078 10.260 ( 6.432 0.000 4.245) 7.707 10.597 ( 3.871 0.000 -0.179) 3.875 10.892 ( -0.129 0.000 -16.738) 16.738 10.982 ( -4.616 0.000 1.956) 5.014 11.056 ( -0.948 0.000 -1.737) 1.979 12.087 ( -0.037 0.000 7.893) 7.893 12.328 ( 5.150 0.000 20.343) 20.985 12.356 ( 8.853 0.000 -6.020) 10.706 13.114 ( 0.394 0.000 -12.087) 12.093 13.654 ( -3.232 0.000 3.843) 5.021 13.815 ( 2.660 0.000 -0.383) 2.687 13.847 ( 3.241 0.000 -1.521) 3.580 14.068 ( -2.495 0.000 -17.673) 17.848 14.481 ( -13.843 0.000 2.468) 14.062 14.658 ( -12.013 0.000 -5.551) 13.233 15.130 ( -5.120 0.000 -2.754) 5.814 15.184 ( -3.581 0.000 -4.965) 6.122 16.117 ( 10.543 0.000 8.908) 13.802 16.476 ( 10.155 0.000 -8.344) 13.144 16.781 ( 0.309 0.000 10.775) 10.780 17.030 ( -0.500 0.000 -2.121) 2.180 ======================= Grid point 164 (53/100) ======================= q-point: ( 0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( 11.500 0.000 9.724) 15.061 1.244 ( 11.503 0.000 13.482) 17.722 1.667 ( 0.237 0.000 -10.474) 10.477 1.835 ( 4.902 0.000 -13.943) 14.780 2.168 ( -1.429 0.000 7.815) 7.945 2.175 ( -6.773 0.000 5.900) 8.982 2.282 ( 10.551 0.000 8.839) 13.764 2.392 ( -3.092 0.000 -3.353) 4.561 2.656 ( -12.381 0.000 1.720) 12.499 2.704 ( -5.738 0.000 1.151) 5.852 2.787 ( -4.569 0.000 -8.004) 9.216 2.852 ( -6.839 0.000 -6.027) 9.116 3.785 ( 4.680 0.000 3.824) 6.043 4.015 ( 14.362 0.000 5.437) 15.357 4.098 ( 14.682 0.000 -7.897) 16.671 4.158 ( 13.404 0.000 0.956) 13.438 4.454 ( 10.217 0.000 13.764) 17.141 4.620 ( 5.000 0.000 12.729) 13.676 4.988 ( 4.127 0.000 -8.036) 9.033 5.178 ( 2.949 0.000 -13.399) 13.720 5.606 ( -4.864 0.000 7.629) 9.047 5.779 ( -11.142 0.000 8.960) 14.297 5.959 ( -5.978 0.000 -8.953) 10.765 6.096 ( -10.436 0.000 -4.987) 11.567 6.265 ( 2.745 0.000 0.688) 2.830 6.399 ( -0.012 0.000 -3.900) 3.900 6.682 ( 2.929 0.000 4.174) 5.099 7.054 ( -1.610 0.000 -10.784) 10.904 7.266 ( -3.971 0.000 10.083) 10.837 7.498 ( -2.870 0.000 2.412) 3.749 7.640 ( -3.386 0.000 -2.550) 4.239 7.782 ( 0.060 0.000 -12.895) 12.895 8.479 ( 10.973 0.000 12.334) 16.509 8.893 ( -0.002 0.000 -6.082) 6.082 9.009 ( -8.261 0.000 11.521) 14.177 9.112 ( -8.158 0.000 4.890) 9.511 9.710 ( 5.723 0.000 12.831) 14.050 9.907 ( -0.110 0.000 11.823) 11.823 10.153 ( 14.939 0.000 -8.343) 17.111 10.434 ( 9.365 0.000 2.248) 9.631 10.677 ( 2.490 0.000 -4.082) 4.781 10.897 ( -2.724 0.000 1.807) 3.269 10.906 ( 2.266 0.000 -11.857) 12.072 11.027 ( -1.183 0.000 -3.323) 3.528 12.201 ( 9.850 0.000 9.767) 13.871 12.478 ( 8.678 0.000 17.467) 19.504 12.576 ( 11.907 0.000 -7.252) 13.942 13.098 ( -2.547 0.000 -7.329) 7.759 13.560 ( -5.511 0.000 3.125) 6.336 13.708 ( -9.881 0.000 5.129) 11.133 14.007 ( -2.877 0.000 -18.911) 19.128 14.020 ( 9.485 0.000 -3.705) 10.183 14.222 ( -9.463 0.000 -2.271) 9.732 14.439 ( -6.936 0.000 -10.304) 12.421 14.978 ( -9.368 0.000 -2.230) 9.630 15.061 ( -8.179 0.000 -6.816) 10.647 16.369 ( 12.216 0.000 7.920) 14.559 16.655 ( 6.645 0.000 -5.226) 8.454 16.787 ( 0.225 0.000 10.178) 10.180 17.008 ( -1.737 0.000 -1.453) 2.265 ======================= Grid point 165 (54/100) ======================= q-point: ( 0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.479 ( 10.163 0.000 8.405) 13.188 1.483 ( 11.709 0.000 2.466) 11.966 1.701 ( 3.071 0.000 -7.508) 8.112 1.882 ( -1.545 0.000 -7.569) 7.725 2.066 ( -3.154 0.000 4.123) 5.191 2.092 ( -3.535 0.000 7.352) 8.158 2.347 ( -0.098 0.000 -5.852) 5.853 2.351 ( -5.192 0.000 2.176) 5.629 2.515 ( -0.693 0.000 -2.839) 2.922 2.544 ( -9.159 0.000 1.174) 9.234 2.683 ( -4.601 0.000 -7.859) 9.107 2.713 ( -5.316 0.000 -7.680) 9.340 3.973 ( 12.229 0.000 12.753) 17.669 4.206 ( 3.571 0.000 12.829) 13.317 4.370 ( 10.295 0.000 -2.722) 10.649 4.444 ( 11.776 0.000 0.785) 11.802 4.730 ( 14.596 0.000 7.636) 16.473 4.788 ( 10.811 0.000 7.417) 13.110 5.069 ( 4.462 0.000 -4.387) 6.257 5.222 ( 0.888 0.000 -10.706) 10.742 5.431 ( -11.288 0.000 5.860) 12.718 5.499 ( -14.908 0.000 8.631) 17.226 5.789 ( -8.430 0.000 -10.759) 13.668 5.858 ( -11.417 0.000 -7.378) 13.593 6.411 ( 10.317 0.000 -0.500) 10.329 6.476 ( 6.950 0.000 -2.682) 7.449 6.685 ( -2.747 0.000 2.686) 3.842 6.953 ( -8.172 0.000 -8.178) 11.561 7.227 ( 0.317 0.000 10.024) 10.029 7.388 ( -6.516 0.000 5.460) 8.501 7.629 ( 1.961 0.000 -4.801) 5.186 7.753 ( -2.486 0.000 -13.374) 13.603 8.664 ( 6.975 0.000 9.161) 11.514 8.863 ( -1.896 0.000 2.184) 2.892 8.867 ( -5.051 0.000 10.634) 11.772 8.957 ( -6.503 0.000 7.239) 9.731 9.804 ( 3.363 0.000 16.776) 17.109 9.892 ( -1.151 0.000 13.844) 13.892 10.436 ( 10.686 0.000 -12.483) 16.432 10.610 ( 5.136 0.000 -9.196) 10.533 10.691 ( 1.140 0.000 1.148) 1.618 10.850 ( -2.208 0.000 2.223) 3.133 10.992 ( 4.776 0.000 -6.945) 8.429 11.039 ( 1.907 0.000 -4.590) 4.971 12.447 ( 12.630 0.000 8.421) 15.180 12.663 ( 7.772 0.000 12.053) 14.341 12.808 ( 8.725 0.000 -6.955) 11.157 12.996 ( -6.746 0.000 -1.362) 6.882 13.434 ( -6.023 0.000 3.744) 7.092 13.476 ( -10.110 0.000 11.005) 14.944 13.970 ( -0.374 0.000 -18.979) 18.983 14.067 ( -5.399 0.000 -8.248) 9.858 14.232 ( 10.724 0.000 -3.804) 11.379 14.413 ( 4.429 0.000 -13.795) 14.488 14.745 ( -12.477 0.000 -2.340) 12.695 14.848 ( -11.793 0.000 -8.981) 14.823 16.598 ( 9.246 0.000 6.567) 11.341 16.766 ( 4.406 0.000 -1.031) 4.525 16.783 ( -0.817 0.000 8.826) 8.863 16.952 ( -3.682 0.000 -0.395) 3.703 ======================= Grid point 166 (55/100) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( -0.394 0.000 2.921) 2.948 1.611 ( 0.394 0.000 2.921) 2.948 1.806 ( -4.182 0.000 -4.118) 5.869 1.806 ( 4.182 0.000 -4.118) 5.869 2.024 ( -0.517 0.000 5.991) 6.013 2.024 ( 0.517 0.000 5.991) 6.013 2.346 ( -3.507 0.000 0.177) 3.511 2.346 ( 3.507 0.000 0.177) 3.511 2.440 ( -2.517 0.000 -5.630) 6.167 2.440 ( 2.517 0.000 -5.630) 6.167 2.647 ( -0.876 0.000 -9.062) 9.104 2.647 ( 0.876 0.000 -9.062) 9.104 4.185 ( -5.701 0.000 15.618) 16.626 4.185 ( 5.701 0.000 15.618) 16.626 4.526 ( -2.590 0.000 -0.382) 2.618 4.526 ( 2.590 0.000 -0.382) 2.618 4.974 ( -0.142 0.000 5.246) 5.248 4.974 ( 0.142 0.000 5.246) 5.248 5.172 ( -2.162 0.000 -0.720) 2.279 5.172 ( 2.162 0.000 -0.720) 2.279 5.260 ( -0.714 0.000 3.787) 3.853 5.260 ( 0.714 0.000 3.787) 3.853 5.696 ( -1.405 0.000 -11.820) 11.903 5.696 ( 1.405 0.000 -11.820) 11.903 6.584 ( -4.441 0.000 0.494) 4.468 6.584 ( 4.441 0.000 0.494) 4.468 6.716 ( -11.880 0.000 -4.668) 12.764 6.716 ( 11.880 0.000 -4.668) 12.764 7.274 ( -1.697 0.000 8.517) 8.685 7.274 ( 1.697 0.000 8.517) 8.685 7.690 ( -0.565 0.000 -9.748) 9.764 7.690 ( 0.565 0.000 -9.748) 9.764 8.782 ( -1.111 0.000 6.971) 7.059 8.782 ( 1.111 0.000 6.971) 7.059 8.855 ( -0.170 0.000 8.908) 8.909 8.855 ( 0.170 0.000 8.908) 8.909 9.859 ( -0.862 0.000 16.040) 16.063 9.859 ( 0.862 0.000 16.040) 16.063 10.586 ( -1.331 0.000 -15.402) 15.460 10.586 ( 1.331 0.000 -15.402) 15.460 10.786 ( -4.405 0.000 5.012) 6.672 10.786 ( 4.405 0.000 5.012) 6.672 11.059 ( -0.444 0.000 -5.377) 5.396 11.059 ( 0.444 0.000 -5.377) 5.396 12.685 ( -7.974 0.000 6.247) 10.129 12.685 ( 7.974 0.000 6.247) 10.129 12.901 ( -0.150 0.000 -1.340) 1.348 12.901 ( 0.150 0.000 -1.340) 1.348 13.356 ( -0.015 0.000 9.219) 9.219 13.356 ( 0.015 0.000 9.219) 9.219 13.990 ( -0.574 0.000 -15.248) 15.258 13.990 ( 0.574 0.000 -15.248) 15.258 14.476 ( -8.850 0.000 -2.747) 9.267 14.476 ( 8.850 0.000 -2.747) 9.267 14.594 ( -9.019 0.000 -11.871) 14.909 14.594 ( 9.019 0.000 -11.871) 14.909 16.739 ( -3.997 0.000 6.994) 8.055 16.739 ( 3.997 0.000 6.994) 8.055 16.859 ( -4.411 0.000 0.454) 4.435 16.859 ( 4.411 0.000 0.454) 4.435 ======================= Grid point 171 (56/100) ======================= q-point: ( 0.00 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( 0.000 3.724 19.368) 19.723 1.074 ( 0.000 8.767 19.987) 21.826 1.694 ( 0.000 -0.351 -14.279) 14.283 1.749 ( 0.000 4.627 -6.397) 7.895 1.841 ( 0.000 9.722 22.212) 24.246 2.177 ( 0.000 -6.908 2.267) 7.270 2.442 ( 0.000 -1.476 3.937) 4.205 2.507 ( 0.000 4.969 5.812) 7.646 2.719 ( 0.000 -7.041 -3.886) 8.042 2.913 ( 0.000 -8.613 -7.622) 11.501 2.955 ( 0.000 3.048 -6.208) 6.916 2.975 ( 0.000 -6.732 -7.475) 10.060 3.645 ( 0.000 7.214 -1.763) 7.426 3.650 ( 0.000 0.309 -0.817) 0.874 3.853 ( 0.000 4.817 -1.539) 5.057 3.862 ( 0.000 9.621 -1.520) 9.740 4.279 ( 0.000 1.385 17.831) 17.885 4.533 ( 0.000 -2.953 9.781) 10.218 4.954 ( 0.000 5.750 -9.602) 11.193 5.068 ( 0.000 0.873 -11.070) 11.105 5.788 ( 0.000 7.377 6.530) 9.852 5.982 ( 0.000 -3.890 8.087) 8.974 6.145 ( 0.000 5.091 -9.985) 11.208 6.242 ( 0.000 -5.441 -1.099) 5.551 6.406 ( 0.000 3.936 -0.767) 4.010 6.521 ( 0.000 1.164 -2.942) 3.164 6.610 ( 0.000 2.137 3.643) 4.223 6.885 ( 0.000 5.454 -9.016) 10.537 7.469 ( 0.000 0.489 4.201) 4.229 7.502 ( 0.000 -2.397 3.497) 4.240 7.740 ( 0.000 -2.054 -5.705) 6.063 7.743 ( 0.000 4.406 -4.320) 6.170 8.080 ( 0.000 0.698 15.826) 15.842 8.598 ( 0.000 -10.306 -4.876) 11.401 9.257 ( 0.000 -1.303 9.004) 9.098 9.321 ( 0.000 -11.787 8.406) 14.477 9.544 ( 0.000 8.264 -1.685) 8.434 9.743 ( 0.000 -2.752 0.678) 2.834 9.921 ( 0.000 4.117 4.504) 6.102 10.205 ( 0.000 2.260 2.364) 3.271 10.468 ( 0.000 -3.846 1.798) 4.246 10.867 ( 0.000 -1.066 -17.245) 17.278 11.183 ( 0.000 7.778 0.847) 7.824 11.194 ( 0.000 12.144 0.184) 12.145 12.083 ( 0.000 -7.209 8.904) 11.456 12.139 ( 0.000 -2.658 0.078) 2.659 12.343 ( 0.000 2.503 9.911) 10.222 13.026 ( 0.000 -8.417 -10.838) 13.722 13.457 ( 0.000 -8.018 1.166) 8.102 13.686 ( 0.000 -9.564 -7.663) 12.255 14.044 ( 0.000 15.433 0.949) 15.462 14.244 ( 0.000 8.430 -11.034) 13.886 14.638 ( 0.000 -1.596 3.107) 3.493 14.836 ( 0.000 1.650 -6.267) 6.480 15.055 ( 0.000 -10.816 -3.051) 11.238 15.076 ( 0.000 -11.143 -2.262) 11.371 16.122 ( 0.000 10.428 6.957) 12.536 16.416 ( 0.000 6.474 -6.760) 9.360 16.780 ( 0.000 0.317 10.592) 10.597 17.033 ( 0.000 -0.275 -2.327) 2.343 ======================= Grid point 172 (57/100) ======================= q-point: ( 0.12 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( 5.032 2.567 16.171) 17.129 1.155 ( 7.367 8.940 16.646) 20.280 1.682 ( -1.750 -1.764 -13.190) 13.422 1.764 ( 2.713 4.403 -9.605) 10.909 1.979 ( 11.099 5.796 17.492) 21.512 2.174 ( -0.030 -3.861 4.043) 5.590 2.387 ( -4.566 0.206 4.727) 6.575 2.475 ( -2.883 3.234 3.016) 5.279 2.703 ( -1.887 -6.352 -2.309) 7.018 2.837 ( -6.014 -6.159 -5.680) 10.313 2.897 ( -5.974 -2.264 -5.058) 8.149 2.960 ( -1.948 0.593 -5.934) 6.274 3.577 ( 1.884 -3.944 2.583) 5.078 3.718 ( 1.972 -3.749 -3.687) 5.616 3.935 ( 7.691 7.904 0.917) 11.066 4.046 ( 12.816 10.040 -3.653) 16.685 4.320 ( 4.059 1.596 16.888) 17.443 4.553 ( 3.018 0.208 9.923) 10.374 4.967 ( 1.546 4.579 -9.071) 10.278 5.115 ( 3.609 1.108 -11.395) 12.004 5.736 ( -4.639 4.164 6.692) 9.146 5.898 ( -7.498 -5.018 8.293) 12.254 6.092 ( -4.306 4.095 -9.205) 10.957 6.182 ( -5.905 -6.600 -3.400) 9.486 6.361 ( -2.644 5.544 0.710) 6.183 6.464 ( -4.138 0.822 -2.260) 4.786 6.631 ( 3.609 2.962 4.709) 6.631 6.987 ( 4.643 -1.168 -10.980) 11.978 7.335 ( -7.534 -3.258 7.171) 10.899 7.580 ( 1.784 3.535 3.306) 5.159 7.671 ( -2.999 -3.451 -6.375) 7.845 7.810 ( 3.166 4.304 -6.906) 8.731 8.198 ( 9.209 -1.794 14.269) 17.077 8.620 ( 0.595 -13.505 -2.228) 13.700 9.149 ( -5.060 -3.248 10.772) 12.336 9.380 ( 0.431 1.811 1.813) 2.598 9.576 ( 4.508 2.239 5.730) 7.627 9.845 ( 7.267 -1.123 1.662) 7.539 9.981 ( 5.096 5.356 1.599) 7.564 10.237 ( 3.854 -0.759 2.637) 4.731 10.506 ( 3.221 -4.750 0.636) 5.774 10.864 ( -0.495 -0.876 -16.177) 16.208 11.070 ( -6.369 6.035 3.158) 9.325 11.204 ( -2.299 10.224 -2.671) 10.814 12.022 ( 0.312 -4.755 10.412) 11.450 12.254 ( 6.792 -4.588 0.405) 8.206 12.441 ( 8.351 4.534 8.816) 12.963 13.023 ( -0.544 -9.377 -8.275) 12.518 13.488 ( 1.413 -7.903 -1.076) 8.100 13.677 ( -0.702 -8.812 -8.032) 11.944 14.062 ( 1.549 13.788 -0.150) 13.875 14.231 ( -1.038 9.462 -10.921) 14.487 14.475 ( -12.585 -0.192 2.431) 12.820 14.644 ( -12.024 -0.557 -6.213) 13.546 15.072 ( -0.246 -6.232 -2.847) 6.856 15.131 ( 0.447 -3.663 -4.386) 5.732 16.196 ( 6.816 6.898 7.547) 12.288 16.499 ( 6.351 1.898 -6.419) 9.228 16.782 ( 0.150 0.119 10.280) 10.282 17.026 ( -0.751 -0.529 -2.082) 2.275 ======================= Grid point 173 (58/100) ======================= q-point: ( 0.25 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( 10.846 2.018 7.902) 13.570 1.353 ( 10.820 7.391 10.569) 16.835 1.650 ( 0.058 -1.639 -10.428) 10.556 1.858 ( 4.695 2.543 -10.133) 11.454 2.071 ( -2.712 -3.773 3.564) 5.856 2.231 ( -2.417 -0.517 3.683) 4.435 2.330 ( 4.131 2.524 3.649) 6.062 2.410 ( -1.763 3.363 2.680) 4.648 2.599 ( -8.533 -4.689 -0.658) 9.758 2.693 ( -6.083 -1.534 1.928) 6.563 2.780 ( -4.853 -1.109 -6.007) 7.802 2.863 ( -6.778 1.169 -4.941) 8.469 3.706 ( 8.158 -8.533 2.625) 12.094 3.818 ( 9.525 -9.862 -1.010) 13.748 4.104 ( 7.976 -0.221 7.685) 11.078 4.313 ( 10.947 4.791 3.559) 12.468 4.451 ( 8.022 4.330 9.163) 12.925 4.698 ( 11.034 6.457 4.619) 13.593 5.013 ( 2.407 1.601 -6.586) 7.193 5.186 ( 2.734 1.015 -10.323) 10.727 5.575 ( -11.680 -5.789 7.268) 14.925 5.742 ( -5.729 -0.548 6.763) 8.880 5.944 ( -10.494 -3.595 -8.265) 13.833 6.030 ( -7.446 -3.230 -5.570) 9.844 6.340 ( 1.111 5.461 0.255) 5.578 6.411 ( -0.160 0.717 -2.238) 2.356 6.700 ( 1.896 1.011 4.574) 5.054 7.025 ( -0.761 -2.374 -9.095) 9.430 7.201 ( -4.634 -5.359 8.387) 10.979 7.529 ( -5.233 -0.315 -1.468) 5.444 7.631 ( -2.130 1.208 -1.211) 2.732 7.853 ( 0.602 5.113 -10.526) 11.717 8.395 ( 8.953 -6.159 11.382) 15.737 8.607 ( -1.152 -13.837 3.982) 14.444 9.089 ( -0.849 2.651 11.752) 12.077 9.310 ( -6.651 11.126 2.053) 13.123 9.691 ( 4.900 -1.935 13.638) 14.620 9.962 ( 1.971 4.339 6.116) 7.753 10.142 ( 11.452 -1.206 -5.338) 12.693 10.371 ( 7.777 -4.778 1.037) 9.186 10.590 ( 4.882 -6.045 -2.317) 8.109 10.823 ( -3.839 -1.794 -10.860) 11.657 10.984 ( -1.191 3.335 -0.746) 3.619 11.126 ( -3.660 5.884 -3.914) 7.958 12.122 ( 8.226 -4.968 11.566) 15.038 12.436 ( 10.578 -5.901 0.061) 12.113 12.648 ( 10.089 7.042 7.143) 14.227 12.984 ( -3.101 -10.911 -2.341) 11.582 13.449 ( -5.389 -7.071 -1.533) 9.022 13.681 ( 1.126 -2.700 -7.683) 8.221 14.052 ( -4.968 7.618 -0.798) 9.130 14.217 ( 0.622 11.343 -5.932) 12.815 14.265 ( -4.796 4.262 -5.532) 8.472 14.437 ( -6.396 0.791 -11.143) 12.872 14.996 ( -6.875 0.163 -3.323) 7.638 15.062 ( -6.596 0.749 -5.950) 8.914 16.381 ( 9.942 1.196 7.463) 12.489 16.629 ( 5.574 -2.180 -3.284) 6.827 16.784 ( -0.064 -0.465 9.314) 9.326 16.998 ( -2.033 -1.074 -1.409) 2.697 ======================= Grid point 174 (59/100) ======================= q-point: ( 0.38 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.448 ( 11.203 1.005 2.951) 11.628 1.572 ( 8.550 4.345 2.780) 9.985 1.704 ( 4.934 0.696 -5.927) 7.744 1.886 ( -2.772 0.391 -3.405) 4.408 2.010 ( -2.250 -2.193 0.557) 3.191 2.148 ( -3.095 2.156 5.963) 7.056 2.308 ( -2.518 -2.728 -1.598) 4.042 2.386 ( -4.138 1.940 -2.651) 5.283 2.478 ( -3.537 -1.740 1.029) 4.073 2.572 ( -4.842 1.309 -1.498) 5.234 2.691 ( -3.775 0.559 -6.499) 7.537 2.721 ( -5.284 1.037 -6.807) 8.679 3.921 ( 12.445 -6.502 8.712) 16.524 4.074 ( 11.530 -12.924 3.543) 17.679 4.232 ( 4.719 -5.877 9.823) 12.381 4.506 ( 5.652 -5.221 3.875) 8.615 4.591 ( 5.745 0.023 7.988) 9.839 4.956 ( 9.219 4.130 -0.611) 10.120 5.077 ( 4.755 1.819 -1.190) 5.228 5.222 ( 0.309 0.310 -3.513) 3.540 5.300 ( -10.535 -5.131 3.958) 12.369 5.620 ( -7.558 5.212 4.170) 10.083 5.721 ( -8.162 -4.609 -10.586) 14.139 5.858 ( -9.046 0.058 -6.843) 11.343 6.428 ( 6.172 0.386 -0.708) 6.225 6.468 ( 6.308 -0.213 -1.932) 6.600 6.693 ( -2.262 0.114 3.210) 3.928 6.949 ( -6.949 -0.543 -7.939) 10.564 7.154 ( 0.210 -6.143 8.069) 10.143 7.412 ( -5.243 0.345 3.810) 6.490 7.560 ( -3.916 -3.154 -4.577) 6.799 7.850 ( -0.390 4.802 -12.232) 13.147 8.555 ( 4.006 -8.772 11.955) 15.360 8.611 ( 4.031 -5.523 6.856) 9.683 9.051 ( -5.582 6.910 9.510) 13.014 9.179 ( -2.697 12.817 7.450) 15.068 9.760 ( 2.316 -3.067 16.590) 17.030 9.944 ( -2.893 4.545 8.775) 10.297 10.385 ( 8.879 -4.484 -12.164) 15.713 10.523 ( 7.039 -9.626 -1.036) 11.970 10.706 ( 3.557 2.724 -6.333) 7.758 10.742 ( -1.101 -8.502 -2.216) 8.855 10.978 ( -0.250 -1.884 -2.827) 3.406 11.082 ( -0.995 3.006 -4.648) 5.624 12.324 ( 10.410 -8.198 11.054) 17.256 12.654 ( 6.957 -5.211 1.714) 8.860 12.739 ( -1.470 -9.069 2.767) 9.595 12.985 ( 3.470 4.768 -1.319) 6.042 13.326 ( -3.174 -5.081 4.913) 7.748 13.662 ( -5.244 11.551 2.375) 12.906 13.940 ( -1.953 -0.610 -10.858) 11.049 14.165 ( -4.608 6.777 -9.597) 12.620 14.307 ( 6.518 6.487 -5.002) 10.469 14.429 ( 4.754 2.518 -13.882) 14.888 14.808 ( -10.324 3.982 -3.936) 11.745 14.876 ( -10.410 3.206 -7.753) 13.370 16.580 ( 8.479 -1.721 6.681) 10.931 16.726 ( 3.317 -3.270 2.358) 5.220 16.779 ( -0.103 -1.032 5.872) 5.962 16.937 ( -3.842 -1.558 -0.436) 4.169 ======================= Grid point 175 (60/100) ======================= q-point: (-0.50 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.612 ( 0.000 0.829 0.771) 1.132 1.645 ( 0.000 2.728 2.631) 3.790 1.777 ( -0.000 -0.103 -5.592) 5.593 1.841 ( 0.000 0.130 -5.476) 5.477 2.016 ( -0.000 0.448 5.963) 5.979 2.046 ( 0.000 1.334 7.235) 7.357 2.315 ( -0.000 -0.476 0.390) 0.616 2.364 ( 0.000 -2.514 -5.995) 6.500 2.395 ( 0.000 1.291 1.509) 1.985 2.498 ( 0.000 2.010 -3.773) 4.275 2.649 ( 0.000 0.437 -8.646) 8.657 2.667 ( 0.000 1.833 -9.184) 9.366 4.123 ( 0.000 -6.186 12.849) 14.260 4.147 ( -0.000 -5.228 13.575) 14.547 4.387 ( -0.000 -11.077 -0.603) 11.093 4.435 ( 0.000 -11.368 -1.174) 11.429 4.792 ( -0.000 -9.144 10.599) 13.998 4.872 ( 0.000 -9.077 11.091) 14.332 5.161 ( -0.000 -0.035 -2.173) 2.173 5.200 ( 0.000 0.534 -5.972) 5.996 5.350 ( -0.000 9.688 1.235) 9.766 5.439 ( 0.000 9.140 3.769) 9.887 5.685 ( -0.000 0.110 -11.496) 11.497 5.697 ( 0.000 0.208 -9.019) 9.022 6.502 ( 0.000 -4.947 0.556) 4.978 6.630 ( 0.000 1.635 2.442) 2.938 6.655 ( 0.000 -3.036 -5.809) 6.554 6.791 ( -0.000 3.259 -4.537) 5.586 7.175 ( 0.000 -6.037 5.787) 8.362 7.343 ( 0.000 2.440 10.676) 10.951 7.512 ( 0.000 -8.058 -9.154) 12.195 7.846 ( 0.000 4.528 -12.585) 13.375 8.573 ( 0.000 -8.119 13.770) 15.985 8.716 ( 0.000 -2.575 5.219) 5.820 8.935 ( -0.000 8.110 11.135) 13.775 9.170 ( 0.000 13.948 8.192) 16.176 9.796 ( 0.000 -3.330 15.786) 16.133 9.892 ( 0.000 1.769 10.844) 10.988 10.469 ( -0.000 -4.761 -15.062) 15.797 10.627 ( 0.000 -6.502 -13.573) 15.050 10.694 ( -0.000 -9.535 4.631) 10.600 10.784 ( 0.000 4.321 3.854) 5.790 10.978 ( 0.000 -7.599 -7.035) 10.355 11.066 ( 0.000 1.334 -4.251) 4.456 12.528 ( 0.000 -13.118 10.854) 17.026 12.551 ( -0.000 -9.446 8.583) 12.763 12.837 ( -0.000 -2.850 -3.738) 4.701 12.966 ( 0.000 -1.131 -5.341) 5.459 13.389 ( 0.000 6.823 7.761) 10.334 13.515 ( -0.000 11.939 9.745) 15.411 13.950 ( 0.000 -0.349 -15.484) 15.488 14.103 ( 0.000 6.841 -12.636) 14.369 14.428 ( 0.000 1.253 -4.387) 4.563 14.545 ( 0.000 0.105 -12.814) 12.815 14.635 ( -0.000 7.401 -4.142) 8.481 14.711 ( 0.000 7.301 -9.057) 11.633 16.711 ( 0.000 -2.651 7.001) 7.487 16.714 ( -0.000 -2.438 7.640) 8.019 16.822 ( 0.000 -2.633 0.550) 2.690 16.857 ( -0.000 -1.173 0.142) 1.182 ======================= Grid point 180 (61/100) ======================= q-point: ( 0.00 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( 0.000 8.978 10.872) 14.100 1.294 ( 0.000 12.725 15.775) 20.267 1.659 ( 0.000 -1.757 -13.107) 13.224 1.879 ( 0.000 7.757 -10.025) 12.675 2.077 ( 0.000 9.376 6.724) 11.538 2.085 ( 0.000 -3.235 -0.133) 3.238 2.388 ( 0.000 -4.331 6.342) 7.680 2.536 ( 0.000 -3.568 2.844) 4.563 2.579 ( 0.000 -5.266 -2.669) 5.904 2.637 ( 0.000 -14.155 -1.758) 14.264 2.885 ( 0.000 -4.095 -3.221) 5.210 2.947 ( 0.000 -3.893 -4.066) 5.629 3.621 ( 0.000 -1.029 2.179) 2.410 3.857 ( 0.000 11.954 -5.563) 13.185 4.007 ( 0.000 10.638 2.864) 11.016 4.094 ( 0.000 13.464 -1.131) 13.511 4.336 ( 0.000 5.459 15.772) 16.690 4.556 ( 0.000 4.056 7.161) 8.230 5.045 ( 0.000 3.615 -7.716) 8.521 5.111 ( 0.000 2.784 -9.273) 9.681 5.787 ( 0.000 -7.708 5.084) 9.234 5.844 ( 0.000 -10.391 5.278) 11.655 6.072 ( 0.000 -11.558 -1.391) 11.642 6.122 ( 0.000 -6.440 -6.303) 9.011 6.470 ( 0.000 0.599 0.009) 0.599 6.512 ( 0.000 -3.013 0.214) 3.021 6.719 ( 0.000 7.344 4.149) 8.435 6.969 ( 0.000 0.320 -7.413) 7.420 7.452 ( 0.000 -2.167 3.391) 4.024 7.478 ( 0.000 0.011 5.156) 5.156 7.702 ( 0.000 -0.363 -6.509) 6.519 7.829 ( 0.000 3.654 -5.831) 6.881 8.155 ( 0.000 7.453 14.752) 16.528 8.459 ( 0.000 -2.852 3.632) 4.618 9.075 ( 0.000 -9.668 12.185) 15.555 9.207 ( 0.000 -3.934 8.775) 9.617 9.704 ( 0.000 -0.290 -4.182) 4.192 9.762 ( 0.000 12.011 -8.652) 14.803 10.014 ( 0.000 7.199 4.953) 8.739 10.274 ( 0.000 4.115 -0.621) 4.162 10.491 ( 0.000 4.986 1.660) 5.255 10.857 ( 0.000 -0.173 -15.113) 15.114 11.295 ( 0.000 2.457 5.169) 5.723 11.399 ( 0.000 7.187 0.508) 7.205 11.962 ( 0.000 -4.422 8.509) 9.589 12.114 ( 0.000 1.281 -2.510) 2.818 12.348 ( 0.000 -1.234 8.333) 8.424 12.788 ( 0.000 -14.559 -4.931) 15.371 13.383 ( 0.000 -0.873 -4.333) 4.420 13.536 ( 0.000 -6.179 -7.600) 9.795 14.266 ( 0.000 5.785 -2.893) 6.468 14.333 ( 0.000 0.331 -8.286) 8.293 14.623 ( 0.000 0.882 4.447) 4.533 14.828 ( 0.000 -8.860 -4.406) 9.895 14.882 ( 0.000 -6.970 -2.645) 7.455 14.917 ( 0.000 4.064 -6.629) 7.775 16.326 ( 0.000 9.126 5.121) 10.465 16.515 ( 0.000 3.197 -3.678) 4.873 16.790 ( 0.000 0.735 9.296) 9.325 17.018 ( 0.000 -1.354 -2.008) 2.422 ======================= Grid point 181 (62/100) ======================= q-point: ( 0.12 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( 5.220 9.276 7.953) 13.287 1.363 ( 6.115 11.670 13.418) 18.805 1.641 ( -1.626 -1.053 -12.172) 12.325 1.883 ( 1.148 7.178 -9.374) 11.862 2.037 ( -0.872 -1.204 2.177) 2.637 2.169 ( 3.288 0.518 -0.385) 3.351 2.371 ( -1.095 -1.496 7.659) 7.880 2.492 ( -3.181 -3.085 1.990) 4.857 2.578 ( -0.782 -6.806 -1.740) 7.068 2.644 ( 0.629 -8.405 -1.103) 8.500 2.836 ( -4.057 -3.920 -2.301) 6.092 2.939 ( -1.214 -3.548 -3.928) 5.430 3.581 ( -3.949 1.865 1.845) 4.742 3.678 ( -6.353 3.179 -1.176) 7.201 4.084 ( 1.139 7.427 6.436) 9.893 4.212 ( 7.200 5.399 5.181) 10.384 4.436 ( 9.050 11.018 6.643) 15.730 4.619 ( 6.905 5.875 3.178) 9.607 5.029 ( -0.704 1.483 -6.000) 6.220 5.161 ( 3.246 3.026 -8.909) 9.953 5.652 ( -10.359 -11.116 6.051) 16.355 5.814 ( -4.526 -7.047 3.393) 9.036 6.012 ( -5.167 -8.370 -2.332) 10.109 6.088 ( -3.137 -5.187 -6.312) 8.751 6.455 ( -1.228 2.465 0.335) 2.774 6.484 ( -2.959 -0.172 -0.242) 2.974 6.696 ( -1.341 2.685 5.395) 6.173 6.954 ( -0.696 -3.125 -7.239) 7.916 7.283 ( -9.361 -0.879 6.970) 11.704 7.584 ( -0.623 -2.741 -3.208) 4.265 7.641 ( 0.340 0.926 -0.297) 1.030 7.887 ( 3.435 3.075 -6.628) 8.073 8.205 ( 4.404 3.467 12.186) 13.413 8.446 ( -1.117 -3.777 4.186) 5.747 9.095 ( 1.848 -1.507 11.640) 11.882 9.300 ( 7.307 -6.293 10.554) 14.296 9.663 ( 0.333 3.402 -4.463) 5.622 9.861 ( 4.226 3.453 -2.109) 5.851 10.063 ( 3.486 3.598 1.630) 5.268 10.276 ( 1.807 5.135 0.008) 5.443 10.509 ( 0.813 4.032 1.232) 4.293 10.862 ( -0.105 0.202 -14.145) 14.147 11.152 ( -8.904 1.585 4.948) 10.309 11.343 ( -7.090 2.503 -1.959) 7.770 11.981 ( 4.233 1.873 9.370) 10.451 12.166 ( 3.312 -3.497 -0.530) 4.845 12.508 ( 13.527 2.556 6.594) 15.264 12.766 ( -2.582 -15.399 -1.387) 15.675 13.387 ( 0.043 -3.542 -6.404) 7.319 13.558 ( 2.074 -3.349 -9.675) 10.446 14.262 ( -0.726 5.013 -3.593) 6.210 14.324 ( -0.912 -0.102 -7.184) 7.243 14.511 ( -6.560 4.185 2.150) 8.073 14.671 ( -9.476 3.275 -6.798) 12.113 14.926 ( 4.557 -7.155 -1.423) 8.601 15.070 ( 4.813 -2.097 -5.894) 7.893 16.341 ( 1.756 6.944 5.627) 9.109 16.533 ( 1.792 1.384 -2.707) 3.529 16.784 ( -0.530 0.190 8.945) 8.963 17.005 ( -1.225 -1.612 -1.828) 2.727 ======================= Grid point 182 (63/100) ======================= q-point: ( 0.25 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.314 ( 9.815 8.609 1.867) 13.188 1.513 ( 6.920 8.441 5.122) 12.057 1.632 ( 2.367 0.977 -5.510) 6.075 1.930 ( 1.500 4.025 -5.551) 7.019 2.018 ( -0.374 -1.756 -1.853) 2.580 2.161 ( -3.189 -5.401 -3.039) 6.969 2.346 ( -2.922 -1.899 5.486) 6.499 2.440 ( -1.418 -2.599 1.879) 3.506 2.540 ( -2.649 -1.582 -2.032) 3.694 2.654 ( -0.784 -0.972 -1.419) 1.890 2.745 ( -3.231 -2.212 -0.515) 3.949 2.872 ( -5.445 -1.130 -2.902) 6.273 3.543 ( 3.195 -4.683 2.399) 6.156 3.652 ( 2.655 -7.012 -2.187) 7.810 4.109 ( 1.438 0.016 13.093) 13.172 4.329 ( 4.729 0.331 13.870) 14.658 4.589 ( 3.359 5.305 -1.343) 6.421 4.841 ( 11.213 6.979 -2.684) 13.478 5.028 ( 1.719 0.556 -1.899) 2.621 5.214 ( 1.561 1.117 -4.579) 4.965 5.406 ( -11.560 -9.119 4.522) 15.402 5.679 ( -6.814 -7.369 -0.737) 10.063 5.889 ( -5.896 0.488 -2.951) 6.611 5.994 ( -5.644 -2.396 -6.199) 8.719 6.404 ( -2.659 0.417 0.660) 2.772 6.441 ( -0.515 2.420 -1.176) 2.739 6.676 ( -0.626 -3.959 6.582) 7.707 6.947 ( -0.786 -6.163 -6.976) 9.342 7.119 ( -5.383 -1.418 7.589) 9.412 7.472 ( -6.354 -3.284 -7.234) 10.173 7.668 ( -2.515 0.486 3.261) 4.147 7.914 ( -1.241 0.452 -7.139) 7.260 8.337 ( 7.580 0.260 9.423) 12.096 8.454 ( 3.380 -1.054 5.973) 6.944 9.139 ( 2.042 2.427 13.317) 13.689 9.416 ( 0.553 -1.163 9.264) 9.353 9.669 ( 0.849 1.056 4.647) 4.840 9.986 ( 8.091 -2.227 -1.432) 8.513 10.134 ( 4.113 -0.737 -0.189) 4.183 10.329 ( 0.525 3.757 -1.298) 4.009 10.521 ( 1.973 -1.825 -0.821) 2.810 10.814 ( -5.168 -0.313 -11.703) 12.797 11.010 ( -4.285 -0.466 2.732) 5.103 11.194 ( -4.766 1.003 -2.524) 5.486 12.086 ( 4.909 1.428 9.600) 10.877 12.315 ( 10.863 -4.191 0.836) 11.674 12.639 ( -6.610 -13.345 6.662) 16.315 12.854 ( 15.717 3.614 1.305) 16.179 13.344 ( -4.446 -3.298 -6.096) 8.234 13.651 ( 7.144 -0.261 -12.863) 14.717 14.194 ( -6.796 5.675 -0.091) 8.854 14.285 ( -1.917 -0.771 -4.893) 5.312 14.446 ( 0.020 8.872 -3.782) 9.644 14.525 ( -3.733 8.093 -10.300) 13.621 14.951 ( -2.639 -3.996 -2.778) 5.537 15.085 ( -3.223 0.503 -6.671) 7.426 16.412 ( 5.021 1.760 6.593) 8.473 16.587 ( 3.125 -1.809 -0.289) 3.623 16.768 ( -1.036 -1.032 7.972) 8.104 16.965 ( -2.683 -2.273 -1.308) 3.752 ======================= Grid point 183 (64/100) ======================= q-point: ( 0.38 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.524 ( 9.304 6.194 -0.890) 11.213 1.632 ( 5.245 2.374 -5.222) 7.772 1.742 ( 5.113 2.862 1.270) 5.996 1.905 ( -1.694 1.608 -0.167) 2.342 1.987 ( -3.685 -0.610 -3.196) 4.916 2.157 ( 2.183 -0.728 0.654) 2.392 2.257 ( -3.022 -2.181 1.960) 4.211 2.394 ( -3.040 -1.203 -0.348) 3.288 2.479 ( -3.449 1.200 0.625) 3.705 2.583 ( -4.223 -0.283 -3.046) 5.214 2.692 ( -3.695 -0.676 -3.540) 5.162 2.766 ( -3.235 3.441 -5.582) 7.312 3.709 ( 11.423 -12.624 3.587) 17.399 3.801 ( 11.215 -13.897 -0.617) 17.869 4.111 ( -2.181 -7.503 12.099) 14.403 4.373 ( -5.081 -8.851 4.271) 11.064 4.568 ( 0.172 -1.965 11.105) 11.279 4.941 ( -7.008 -4.079 5.276) 9.675 5.064 ( 2.988 -2.221 1.018) 3.860 5.227 ( 1.886 2.046 -3.962) 4.841 5.352 ( 6.875 5.719 -1.354) 9.045 5.581 ( -1.764 -2.875 -3.450) 4.825 5.773 ( -5.320 5.035 -4.370) 8.529 5.864 ( -6.468 0.795 -6.489) 9.197 6.378 ( -0.066 -4.822 0.756) 4.882 6.478 ( 4.501 -0.379 -3.242) 5.560 6.669 ( -0.156 -2.205 5.559) 5.982 6.894 ( -3.880 -5.412 -4.544) 8.062 7.059 ( -1.452 -2.420 4.917) 5.670 7.358 ( -3.610 -4.668 -4.041) 7.152 7.521 ( -9.693 -2.517 2.929) 10.434 7.863 ( -2.790 -3.184 -9.235) 10.159 8.469 ( 4.617 -0.828 13.199) 14.008 8.600 ( 8.916 4.314 4.749) 10.984 9.145 ( -3.041 1.866 13.315) 13.784 9.341 ( -3.397 3.480 9.962) 11.086 9.730 ( 4.135 0.815 9.524) 10.415 10.054 ( -4.631 5.537 1.723) 7.421 10.269 ( 8.729 -6.745 -2.739) 11.367 10.348 ( 4.040 -5.872 -7.498) 10.345 10.565 ( -1.733 -8.609 -3.528) 9.464 10.724 ( 0.701 -2.364 -9.016) 9.347 10.940 ( -3.452 -0.331 2.702) 4.397 11.140 ( -1.422 2.407 -2.396) 3.682 12.190 ( 4.948 -5.150 11.946) 13.918 12.474 ( -6.518 -12.603 11.172) 18.059 12.580 ( 12.258 -2.229 -1.925) 12.607 13.062 ( -3.348 -0.717 -12.012) 12.490 13.334 ( 10.377 7.108 7.022) 14.405 13.815 ( 6.356 2.856 -11.034) 13.050 14.011 ( -9.210 7.820 0.587) 12.096 14.256 ( -1.041 2.112 -6.560) 6.970 14.450 ( 1.040 7.514 -6.585) 10.045 14.536 ( 3.304 7.440 -11.224) 13.866 14.834 ( -7.401 -0.854 -4.502) 8.705 14.962 ( -7.366 3.782 -7.661) 11.280 16.537 ( 6.305 -2.412 6.998) 9.723 16.652 ( 2.530 -3.960 4.220) 6.316 16.745 ( -0.714 -2.037 4.676) 5.151 16.892 ( -4.217 -2.926 -0.564) 5.164 ======================= Grid point 184 (65/100) ======================= q-point: (-0.50 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( 0.000 2.627 -0.118) 2.629 1.709 ( 0.000 2.830 -0.865) 2.959 1.806 ( -0.000 -2.221 -5.675) 6.095 1.812 ( 0.000 4.021 -7.193) 8.241 2.033 ( -0.000 0.520 5.264) 5.290 2.080 ( 0.000 1.986 7.109) 7.381 2.327 ( -0.000 1.353 -0.616) 1.486 2.328 ( 0.000 -1.085 -4.987) 5.103 2.420 ( 0.000 1.255 3.219) 3.455 2.514 ( 0.000 -0.468 0.572) 0.739 2.664 ( 0.000 1.182 -8.205) 8.290 2.718 ( 0.000 3.285 -9.084) 9.660 3.929 ( -0.000 -12.846 8.020) 15.144 3.963 ( 0.000 -12.915 7.469) 14.919 4.115 ( -0.000 -16.017 -1.431) 16.080 4.133 ( 0.000 -17.432 -1.606) 17.506 4.669 ( -0.000 -3.195 15.450) 15.777 4.741 ( 0.000 -4.089 16.177) 16.686 5.153 ( 0.000 -0.739 -1.735) 1.886 5.218 ( 0.000 1.593 -7.311) 7.483 5.511 ( -0.000 4.895 -1.238) 5.049 5.544 ( 0.000 2.240 2.991) 3.737 5.724 ( 0.000 4.278 -9.974) 10.852 5.752 ( 0.000 5.064 -6.997) 8.638 6.382 ( 0.000 -7.445 1.186) 7.539 6.570 ( 0.000 -5.918 -6.980) 9.151 6.663 ( 0.000 2.010 4.627) 5.045 6.825 ( 0.000 0.090 -3.010) 3.012 7.042 ( 0.000 -7.017 4.938) 8.580 7.345 ( 0.000 -2.708 11.145) 11.469 7.371 ( -0.000 -6.449 -9.365) 11.371 7.828 ( 0.000 -5.443 -10.609) 11.924 8.521 ( 0.000 1.187 14.932) 14.979 8.727 ( 0.000 3.946 3.299) 5.144 9.066 ( -0.000 3.990 13.917) 14.478 9.321 ( 0.000 1.231 12.645) 12.705 9.810 ( 0.000 5.686 5.582) 7.968 9.944 ( -0.000 3.421 5.655) 6.609 10.381 ( -0.000 -6.515 -10.352) 12.232 10.451 ( 0.000 -8.898 -9.722) 13.180 10.476 ( -0.000 -8.603 0.685) 8.631 10.787 ( -0.000 -10.520 -9.364) 14.084 10.873 ( 0.000 3.731 5.161) 6.368 11.123 ( 0.000 3.364 -2.282) 4.065 12.263 ( 0.000 -11.873 14.105) 18.437 12.378 ( -0.000 -7.639 13.113) 15.176 12.811 ( -0.000 0.552 -5.879) 5.905 12.897 ( 0.000 -3.580 -8.803) 9.503 13.556 ( 0.000 8.108 2.519) 8.490 13.776 ( -0.000 13.362 7.783) 15.464 13.957 ( 0.000 0.736 -14.084) 14.103 14.243 ( 0.000 6.932 -8.856) 11.247 14.479 ( 0.000 3.097 -5.389) 6.216 14.598 ( 0.000 4.569 -11.528) 12.400 14.722 ( 0.000 1.990 -5.272) 5.635 14.857 ( 0.000 5.947 -8.270) 10.186 16.640 ( 0.000 -4.278 7.778) 8.877 16.650 ( -0.000 -3.858 8.312) 9.164 16.764 ( 0.000 -3.012 0.345) 3.032 16.816 ( -0.000 -2.858 -0.284) 2.872 ======================= Grid point 189 (66/100) ======================= q-point: ( 0.00 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( 0.000 11.589 2.935) 11.955 1.550 ( 0.000 12.771 11.128) 16.939 1.660 ( 0.000 0.819 -10.318) 10.351 2.011 ( 0.000 3.179 -7.745) 8.372 2.023 ( 0.000 -2.597 1.185) 2.855 2.123 ( 0.000 -2.622 -1.945) 3.265 2.268 ( 0.000 -4.955 2.666) 5.627 2.319 ( 0.000 -10.657 2.025) 10.848 2.510 ( 0.000 -3.966 -4.635) 6.100 2.540 ( 0.000 -1.494 -4.872) 5.096 2.793 ( 0.000 -5.437 -2.280) 5.895 2.811 ( 0.000 -9.149 -3.392) 9.758 3.700 ( 0.000 9.153 12.028) 15.115 4.022 ( 0.000 3.918 3.970) 5.578 4.248 ( 0.000 13.500 3.812) 14.028 4.372 ( 0.000 14.127 -0.060) 14.127 4.531 ( 0.000 13.694 3.649) 14.171 4.669 ( 0.000 7.141 5.050) 8.747 5.092 ( 0.000 1.083 -4.760) 4.882 5.150 ( 0.000 0.504 -5.668) 5.691 5.536 ( 0.000 -16.075 2.840) 16.324 5.580 ( 0.000 -15.762 1.322) 15.817 5.824 ( 0.000 -12.274 2.357) 12.498 5.938 ( 0.000 -11.248 -2.055) 11.434 6.423 ( 0.000 -4.784 1.040) 4.896 6.437 ( 0.000 -3.110 -0.950) 3.251 6.784 ( 0.000 -1.214 1.208) 1.713 6.878 ( 0.000 -7.634 -3.961) 8.601 7.436 ( 0.000 0.572 4.205) 4.244 7.484 ( 0.000 0.599 6.759) 6.786 7.735 ( 0.000 3.053 -7.012) 7.648 7.875 ( 0.000 0.931 -6.711) 6.775 8.335 ( 0.000 8.877 12.982) 15.727 8.459 ( 0.000 1.534 8.324) 8.465 8.998 ( 0.000 1.451 13.333) 13.411 9.150 ( 0.000 -0.656 12.580) 12.597 9.730 ( 0.000 2.443 -8.201) 8.557 9.950 ( 0.000 5.252 -11.065) 12.248 10.231 ( 0.000 13.723 1.876) 13.850 10.358 ( 0.000 4.817 -3.092) 5.724 10.608 ( 0.000 6.292 -0.417) 6.305 10.853 ( 0.000 -0.394 -11.273) 11.279 11.277 ( 0.000 -3.085 7.343) 7.964 11.452 ( 0.000 -1.530 -0.017) 1.530 11.911 ( 0.000 -1.370 7.970) 8.086 12.178 ( 0.000 2.055 -4.982) 5.389 12.352 ( 0.000 3.083 7.242) 7.870 12.522 ( 0.000 -9.404 1.678) 9.552 13.367 ( 0.000 -1.694 -5.092) 5.367 13.416 ( 0.000 -6.235 -3.771) 7.286 14.284 ( 0.000 -1.898 -7.892) 8.117 14.294 ( 0.000 -3.027 -9.570) 10.037 14.622 ( 0.000 -2.451 0.957) 2.631 14.673 ( 0.000 -6.166 -3.592) 7.136 14.865 ( 0.000 5.110 -0.381) 5.124 15.013 ( 0.000 4.062 -6.619) 7.766 16.462 ( 0.000 4.670 4.657) 6.595 16.548 ( 0.000 0.458 0.124) 0.475 16.815 ( 0.000 1.995 6.103) 6.421 16.981 ( 0.000 -2.349 -1.486) 2.780 ======================= Grid point 190 (67/100) ======================= q-point: ( 0.12 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.366 ( 4.836 11.216 1.312) 12.284 1.598 ( 4.262 11.722 9.139) 15.463 1.659 ( 0.008 1.843 -8.980) 9.167 1.990 ( -2.139 -2.251 1.001) 3.262 2.015 ( 0.107 3.597 -6.706) 7.610 2.121 ( -0.809 -2.187 -4.586) 5.145 2.283 ( 0.768 -5.882 4.113) 7.218 2.317 ( 0.432 -10.402 2.611) 10.733 2.490 ( -0.868 -2.049 -4.693) 5.194 2.581 ( 3.128 -2.709 -4.868) 6.389 2.739 ( -3.593 -6.235 -0.968) 7.261 2.822 ( -0.328 -7.594 -3.848) 8.520 3.665 ( -3.184 8.178 8.637) 12.313 3.842 ( -13.552 10.456 0.688) 17.131 4.173 ( -4.587 2.097 12.198) 13.200 4.356 ( -0.990 9.304 4.159) 10.239 4.651 ( 4.639 9.254 2.840) 10.734 4.782 ( 9.421 9.137 -2.308) 13.325 5.028 ( -2.507 -1.039 -0.435) 2.749 5.196 ( 1.338 -0.758 -4.222) 4.493 5.399 ( -8.425 -12.732 2.008) 15.399 5.583 ( -1.517 -12.991 -1.211) 13.135 5.850 ( 1.830 -8.831 1.371) 9.122 5.940 ( -0.037 -8.867 -3.035) 9.372 6.428 ( 0.111 -3.600 2.014) 4.126 6.462 ( 1.363 -2.302 -0.539) 2.729 6.699 ( -6.575 -2.408 2.879) 7.571 6.856 ( -1.583 -5.376 -4.289) 7.057 7.325 ( -8.018 4.428 5.582) 10.726 7.557 ( -0.196 -0.762 1.247) 1.475 7.643 ( -2.925 -0.383 -3.011) 4.215 7.928 ( 1.480 1.076 -7.196) 7.425 8.313 ( -0.116 6.035 11.661) 13.131 8.451 ( 0.424 3.607 6.327) 7.295 9.097 ( 6.888 1.156 12.008) 13.892 9.209 ( 4.823 -2.171 14.500) 15.435 9.713 ( 0.800 2.572 -7.888) 8.335 9.904 ( -4.641 -0.501 -7.796) 9.086 10.197 ( -2.477 9.543 3.800) 10.566 10.391 ( 2.768 5.362 -5.425) 8.115 10.611 ( -1.341 5.720 0.597) 5.905 10.858 ( -0.653 -0.809 -10.191) 10.244 11.135 ( -9.197 -2.137 6.158) 11.273 11.323 ( -9.462 -3.223 -0.210) 9.998 12.019 ( 7.188 -1.306 7.193) 10.253 12.185 ( 2.314 6.009 1.112) 6.534 12.468 ( -0.798 -11.106 5.870) 12.587 12.578 ( 13.443 3.292 0.950) 13.873 13.308 ( -1.151 -4.546 -5.426) 7.172 13.522 ( 5.716 -1.244 -9.238) 10.934 14.246 ( -1.656 -3.848 -7.407) 8.510 14.324 ( 0.793 0.179 -7.302) 7.347 14.570 ( -2.024 0.731 0.831) 2.307 14.706 ( -0.187 -2.450 -7.388) 7.786 14.864 ( 1.299 3.316 1.402) 3.828 15.058 ( 2.581 0.454 -6.656) 7.153 16.448 ( -1.042 3.606 5.042) 6.285 16.550 ( 0.242 0.385 0.811) 0.930 16.798 ( -1.607 1.353 5.976) 6.335 16.964 ( -1.645 -2.521 -1.415) 3.326 ======================= Grid point 191 (68/100) ======================= q-point: ( 0.25 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.506 ( 7.739 9.440 -2.552) 12.470 1.652 ( 0.906 5.223 -7.635) 9.295 1.724 ( 5.887 7.666 7.406) 12.177 1.944 ( -2.065 -1.633 0.729) 2.732 2.023 ( 0.152 -1.261 -3.798) 4.005 2.099 ( -0.076 2.898 -6.532) 7.147 2.252 ( -2.437 -5.861 5.241) 8.232 2.358 ( 1.604 -5.987 1.637) 6.411 2.484 ( 0.123 -2.102 -3.470) 4.059 2.628 ( -1.504 -2.863 -7.940) 8.573 2.683 ( 0.111 -5.299 3.041) 6.110 2.805 ( -0.242 -5.067 -4.045) 6.488 3.573 ( -6.116 6.906 2.109) 9.463 3.596 ( -6.629 2.521 1.077) 7.174 4.065 ( -5.615 -4.670 12.435) 14.421 4.332 ( -3.275 -2.697 5.727) 7.127 4.621 ( -6.396 -0.541 5.879) 8.705 4.917 ( 4.959 2.257 1.291) 5.599 5.028 ( -4.686 -5.634 2.509) 7.746 5.212 ( 3.991 1.382 1.991) 4.669 5.307 ( 2.210 0.583 -5.840) 6.271 5.562 ( -0.091 -3.192 -2.982) 4.369 5.879 ( 0.552 -3.161 -2.316) 3.958 5.917 ( -2.315 -4.487 -4.804) 6.969 6.389 ( -4.403 -2.187 2.069) 5.334 6.455 ( -2.162 -0.545 0.019) 2.230 6.600 ( -0.954 -2.127 4.915) 5.440 6.834 ( -0.751 -3.998 -3.541) 5.393 7.137 ( -7.950 2.856 5.485) 10.072 7.423 ( -8.639 -2.079 -6.571) 11.051 7.623 ( -4.636 -4.825 3.269) 7.447 7.885 ( -4.897 -2.888 -6.616) 8.723 8.364 ( 4.926 2.979 11.549) 12.904 8.532 ( 7.405 6.209 3.517) 10.284 9.173 ( 0.398 0.505 14.768) 14.782 9.339 ( 5.041 -4.334 10.645) 12.551 9.711 ( -1.692 2.603 -0.842) 3.217 9.915 ( 8.310 -3.912 -9.008) 12.865 10.159 ( -0.586 3.414 5.162) 6.216 10.428 ( -1.206 -0.121 -7.694) 7.789 10.506 ( -6.815 4.063 1.044) 8.002 10.771 ( -7.345 -3.726 -8.492) 11.830 11.010 ( -2.551 1.018 4.956) 5.667 11.189 ( -2.735 -0.943 0.126) 2.896 12.094 ( 1.664 -1.664 10.294) 10.560 12.330 ( 2.683 -4.069 4.800) 6.841 12.400 ( 3.391 1.359 7.345) 8.203 12.907 ( 13.469 -0.226 -5.799) 14.666 13.328 ( 3.248 1.649 -5.382) 6.499 13.655 ( 7.751 0.156 -13.698) 15.740 14.218 ( -1.410 -2.470 -4.299) 5.155 14.305 ( -2.415 2.734 -4.230) 5.585 14.560 ( 0.706 3.126 -1.426) 3.508 14.687 ( -0.644 6.098 -8.609) 10.569 14.877 ( -1.495 -1.960 -0.884) 2.619 15.072 ( -1.726 -1.605 -7.527) 7.888 16.442 ( 1.017 1.177 6.286) 6.476 16.560 ( 0.673 -1.079 2.597) 2.892 16.755 ( -2.279 0.040 5.250) 5.724 16.911 ( -3.365 -3.058 -1.115) 4.682 ======================= Grid point 192 (69/100) ======================= q-point: ( 0.38 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( 4.364 3.866 -2.557) 6.366 1.702 ( 3.106 4.972 -5.718) 8.189 1.806 ( 1.254 3.663 1.681) 4.221 1.942 ( 2.108 1.837 1.976) 3.424 1.994 ( -1.382 2.241 -4.250) 5.000 2.144 ( 1.220 -0.767 0.912) 1.706 2.220 ( 1.378 -1.382 0.085) 1.953 2.362 ( -0.517 -1.643 0.775) 1.889 2.478 ( -1.515 -1.987 -0.819) 2.629 2.567 ( -3.722 -1.200 0.578) 3.953 2.664 ( -0.412 -1.572 -3.748) 4.085 2.825 ( -0.131 1.219 -7.032) 7.138 3.520 ( 3.215 -5.170 1.444) 6.257 3.573 ( 4.194 -7.409 -0.895) 8.561 3.918 ( -8.895 -11.692 8.030) 16.743 4.115 ( -15.796 -16.014 -2.084) 22.590 4.579 ( 2.530 2.463 18.661) 18.992 4.818 ( -8.947 -6.832 12.148) 16.562 5.062 ( 5.534 1.378 -1.653) 5.938 5.278 ( 0.479 2.195 -5.668) 6.097 5.432 ( 7.128 2.486 -0.818) 7.594 5.587 ( 2.130 2.893 -1.315) 3.826 5.835 ( -2.949 0.902 -5.444) 6.256 5.888 ( -1.439 0.873 -7.654) 7.837 6.273 ( -4.937 -4.497 2.614) 7.171 6.431 ( 0.125 -3.265 -3.355) 4.683 6.639 ( 4.002 -0.891 5.254) 6.664 6.802 ( -2.025 -2.662 0.632) 3.404 7.022 ( -4.826 -1.858 2.940) 5.949 7.255 ( -5.545 -5.865 -4.145) 9.074 7.427 ( -11.462 -6.535 3.468) 13.642 7.767 ( -5.523 -5.497 -7.460) 10.788 8.493 ( 6.205 2.923 13.212) 14.886 8.718 ( 8.916 5.751 2.194) 10.835 9.141 ( -3.074 -0.989 14.163) 14.527 9.336 ( -3.254 -3.131 7.481) 8.738 9.791 ( 8.031 4.871 3.355) 9.974 10.089 ( 3.925 -3.235 -5.586) 7.555 10.178 ( 1.168 -1.792 4.015) 4.550 10.301 ( -3.619 -0.519 -2.783) 4.594 10.445 ( -2.151 -1.778 -6.643) 7.206 10.639 ( -3.968 -4.845 -10.684) 12.384 10.965 ( -2.470 1.449 6.926) 7.494 11.168 ( -0.149 0.793 0.447) 0.923 12.117 ( -0.191 -2.377 14.275) 14.473 12.265 ( -1.803 -7.905 16.053) 17.985 12.630 ( 11.841 6.324 -4.918) 14.296 13.007 ( -3.462 -3.637 -13.592) 14.490 13.506 ( 12.343 8.313 -0.448) 14.888 13.835 ( 8.219 -0.030 -13.041) 15.415 14.146 ( -6.130 4.105 -0.125) 7.379 14.288 ( 2.239 2.230 -3.553) 4.755 14.575 ( 0.019 4.454 -3.870) 5.900 14.684 ( 0.003 7.331 -9.022) 11.625 14.797 ( -4.854 -2.226 -3.948) 6.641 14.993 ( -5.089 -0.733 -8.815) 10.204 16.495 ( 3.628 -1.672 7.340) 8.357 16.577 ( 0.730 -3.539 6.341) 7.298 16.713 ( -1.373 -0.966 2.522) 3.030 16.826 ( -4.507 -3.536 -0.664) 5.767 ======================= Grid point 193 (70/100) ======================= q-point: (-0.50 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.702 ( 0.000 -1.815 -1.595) 2.416 1.719 ( -0.000 5.069 2.164) 5.511 1.820 ( 0.000 1.532 -8.115) 8.258 1.940 ( 0.000 8.356 -6.754) 10.744 2.031 ( -0.000 0.091 5.568) 5.569 2.108 ( 0.000 0.198 5.291) 5.295 2.298 ( -0.000 -2.249 -5.288) 5.747 2.346 ( 0.000 -0.184 -2.742) 2.748 2.457 ( -0.000 2.373 5.041) 5.572 2.484 ( 0.000 -2.050 5.220) 5.608 2.704 ( 0.000 2.953 -7.486) 8.047 2.785 ( -0.000 3.172 -9.724) 10.228 3.666 ( -0.000 -12.469 4.268) 13.180 3.688 ( 0.000 -13.580 3.343) 13.985 3.786 ( -0.000 -16.102 -1.999) 16.225 3.801 ( 0.000 -15.041 -2.572) 15.260 4.646 ( -0.000 0.090 18.540) 18.540 4.691 ( 0.000 -1.540 18.217) 18.282 5.137 ( 0.000 -0.703 -3.248) 3.323 5.262 ( 0.000 2.359 -7.439) 7.805 5.541 ( -0.000 -0.805 0.392) 0.895 5.595 ( 0.000 3.838 2.891) 4.805 5.832 ( 0.000 5.449 -10.037) 11.421 5.836 ( -0.000 2.478 -7.300) 7.710 6.220 ( 0.000 -7.997 2.095) 8.266 6.439 ( 0.000 -6.357 -6.806) 9.313 6.709 ( 0.000 2.351 5.350) 5.844 6.798 ( -0.000 -2.491 1.237) 2.782 6.906 ( 0.000 -6.740 5.027) 8.408 7.244 ( 0.000 -6.657 10.665) 12.572 7.256 ( -0.000 -5.020 -9.376) 10.635 7.699 ( 0.000 -6.172 -8.415) 10.435 8.569 ( 0.000 3.359 14.045) 14.441 8.833 ( 0.000 5.200 1.302) 5.360 9.091 ( -0.000 -0.096 13.707) 13.707 9.291 ( 0.000 -3.344 7.548) 8.256 9.954 ( 0.000 7.223 2.828) 7.757 10.002 ( -0.000 1.095 2.428) 2.663 10.217 ( -0.000 -5.258 2.341) 5.755 10.313 ( 0.000 -5.002 -6.314) 8.055 10.410 ( -0.000 -1.557 -9.615) 9.740 10.605 ( 0.000 -7.145 -11.968) 13.939 10.928 ( 0.000 1.749 9.033) 9.200 11.167 ( 0.000 1.261 0.389) 1.320 12.103 ( 0.000 -4.345 16.352) 16.919 12.259 ( 0.000 -4.379 17.329) 17.874 12.849 ( -0.000 2.779 -8.919) 9.342 12.866 ( 0.000 0.397 -12.580) 12.586 13.677 ( 0.000 4.314 -3.089) 5.306 13.965 ( 0.000 -0.340 -13.814) 13.818 14.012 ( -0.000 10.110 6.037) 11.775 14.352 ( 0.000 3.498 -3.773) 5.145 14.544 ( -0.000 3.422 -3.983) 5.251 14.687 ( 0.000 3.757 -8.927) 9.685 14.745 ( 0.000 1.278 -6.531) 6.655 14.920 ( 0.000 0.509 -9.355) 9.369 16.557 ( 0.000 -3.831 8.809) 9.606 16.574 ( -0.000 -3.513 8.483) 9.182 16.711 ( 0.000 -2.224 -0.060) 2.225 16.754 ( -0.000 -3.098 -0.738) 3.185 ======================= Grid point 198 (71/100) ======================= q-point: ( 0.00 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( 0.000 6.675 -2.483) 7.121 1.610 ( 0.000 -5.173 -6.714) 8.475 1.788 ( 0.000 10.797 7.198) 12.977 1.954 ( 0.000 -5.865 0.646) 5.900 2.050 ( 0.000 3.903 3.964) 5.563 2.071 ( 0.000 -1.826 3.371) 3.833 2.186 ( 0.000 -2.500 -0.504) 2.550 2.236 ( 0.000 -2.222 -3.627) 4.254 2.466 ( 0.000 0.269 -10.411) 10.415 2.495 ( 0.000 -1.705 -9.361) 9.515 2.646 ( 0.000 -5.117 -4.315) 6.694 2.675 ( 0.000 -5.792 -3.184) 6.610 3.904 ( 0.000 9.319 14.117) 16.915 4.027 ( 0.000 -3.068 11.409) 11.815 4.527 ( 0.000 13.437 2.907) 13.748 4.607 ( 0.000 7.213 0.613) 7.239 4.797 ( 0.000 10.602 -3.433) 11.144 4.807 ( 0.000 5.443 2.686) 6.069 5.079 ( 0.000 -7.497 2.327) 7.850 5.092 ( 0.000 -1.605 -1.248) 2.033 5.270 ( 0.000 -7.509 1.272) 7.616 5.278 ( 0.000 -11.604 0.248) 11.606 5.652 ( 0.000 -3.187 1.323) 3.451 5.724 ( 0.000 -9.011 -0.401) 9.020 6.360 ( 0.000 -1.205 -0.071) 1.207 6.376 ( 0.000 -2.463 -1.048) 2.676 6.732 ( 0.000 -2.034 -1.633) 2.609 6.750 ( 0.000 -4.108 -2.910) 5.034 7.461 ( 0.000 1.494 5.125) 5.338 7.484 ( 0.000 -0.722 6.152) 6.194 7.806 ( 0.000 3.717 -6.565) 7.544 7.864 ( 0.000 -1.949 -6.634) 6.914 8.457 ( 0.000 3.434 11.882) 12.369 8.483 ( 0.000 0.398 10.900) 10.907 9.080 ( 0.000 5.255 15.672) 16.530 9.151 ( 0.000 -1.150 16.947) 16.986 9.810 ( 0.000 6.013 -11.784) 13.229 9.939 ( 0.000 -5.371 -11.865) 13.024 10.459 ( 0.000 6.555 -4.400) 7.895 10.463 ( 0.000 4.497 -5.047) 6.760 10.733 ( 0.000 6.227 -2.523) 6.718 10.827 ( 0.000 -2.822 -6.971) 7.521 11.247 ( 0.000 1.978 6.940) 7.216 11.359 ( 0.000 -7.166 2.464) 7.577 11.923 ( 0.000 3.851 7.533) 8.460 12.070 ( 0.000 -9.781 1.628) 9.916 12.457 ( 0.000 5.520 2.196) 5.941 12.494 ( 0.000 1.904 0.186) 1.913 13.311 ( 0.000 -3.258 -0.278) 3.269 13.314 ( 0.000 -2.798 -1.679) 3.263 14.248 ( 0.000 -1.237 -11.778) 11.843 14.248 ( 0.000 -1.160 -11.626) 11.684 14.575 ( 0.000 -1.294 -1.433) 1.931 14.587 ( 0.000 -2.542 -2.734) 3.734 14.986 ( 0.000 5.445 -1.152) 5.566 15.049 ( 0.000 -0.670 -4.105) 4.159 16.520 ( 0.000 1.695 4.765) 5.057 16.543 ( 0.000 -0.765 3.191) 3.281 16.867 ( 0.000 3.052 2.058) 3.681 16.928 ( 0.000 -2.960 -0.436) 2.992 ======================= Grid point 199 (72/100) ======================= q-point: ( 0.12 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.541 ( 3.800 5.918 -2.828) 7.580 1.634 ( 2.078 -3.855 -6.118) 7.524 1.816 ( 2.508 9.456 5.617) 11.281 1.962 ( -0.194 -3.680 0.491) 3.718 2.024 ( -1.094 3.541 2.574) 4.512 2.124 ( 3.854 -2.880 2.292) 5.330 2.182 ( -0.386 -1.420 -0.168) 1.481 2.217 ( -1.079 -1.342 -2.056) 2.682 2.467 ( 0.228 0.105 -7.612) 7.616 2.505 ( 0.839 -3.885 -8.205) 9.117 2.621 ( -1.780 -3.191 -3.759) 5.242 2.680 ( 0.208 -5.977 -5.132) 7.880 3.848 ( -4.994 8.037 11.740) 15.078 3.978 ( -5.598 0.937 8.712) 10.397 4.268 ( -15.611 9.153 4.193) 18.576 4.468 ( -13.520 -1.688 -1.640) 13.723 4.792 ( -4.969 5.620 4.311) 8.652 4.895 ( 2.962 3.829 0.888) 4.921 5.015 ( -3.392 -3.534 4.634) 6.743 5.070 ( 3.103 -7.042 6.198) 9.881 5.280 ( 2.517 0.004 -4.663) 5.299 5.408 ( 7.618 -4.026 -4.082) 9.535 5.705 ( 4.538 -3.931 0.588) 6.033 5.775 ( 3.691 -6.618 -2.047) 7.849 6.377 ( 0.839 -0.859 0.863) 1.479 6.401 ( 1.861 -2.935 -0.224) 3.483 6.643 ( -4.510 -2.006 1.076) 5.052 6.782 ( 0.658 -1.910 -3.530) 4.067 7.424 ( -4.047 5.044 4.497) 7.877 7.516 ( -0.531 -3.455 5.861) 6.825 7.646 ( -8.040 0.517 -5.785) 9.919 7.934 ( -0.749 -0.166 -8.614) 8.648 8.405 ( -1.390 2.787 13.967) 14.310 8.532 ( 2.905 2.952 6.566) 7.763 9.119 ( 3.207 0.878 15.802) 16.148 9.197 ( 3.720 -0.101 15.049) 15.502 9.777 ( -1.240 4.034 -10.441) 11.262 9.860 ( -5.612 -3.645 -9.225) 11.397 10.326 ( -7.913 2.271 -1.021) 8.296 10.491 ( -1.103 4.334 -9.335) 10.351 10.720 ( -2.896 4.538 -1.085) 5.492 10.825 ( -1.925 -2.373 -5.558) 6.343 11.130 ( -7.177 2.577 6.236) 9.851 11.235 ( -7.250 -5.414 2.343) 9.347 11.984 ( 3.755 -0.728 9.078) 9.851 12.165 ( 5.254 -5.662 4.875) 9.133 12.477 ( 2.799 8.510 3.349) 9.564 12.619 ( 10.333 -1.185 -1.648) 10.530 13.234 ( 1.609 -2.065 -3.225) 4.154 13.489 ( 8.091 -1.650 -6.893) 10.756 14.184 ( -1.601 -1.828 -8.514) 8.854 14.323 ( 2.327 -0.105 -9.470) 9.753 14.573 ( 0.659 0.605 -1.452) 1.705 14.627 ( 3.124 -3.636 -4.940) 6.883 14.974 ( -1.170 5.330 -1.163) 5.579 15.053 ( -0.092 -1.565 -4.561) 4.823 16.488 ( -2.071 0.793 5.386) 5.824 16.553 ( 0.090 -0.046 3.388) 3.389 16.837 ( -2.583 2.305 2.108) 4.053 16.911 ( -1.735 -2.536 -0.479) 3.110 ======================= Grid point 200 (73/100) ======================= q-point: ( 0.25 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( 3.869 3.208 -3.324) 6.026 1.704 ( 4.686 -0.351 -6.225) 7.800 1.856 ( 0.262 4.911 3.897) 6.275 1.959 ( 1.249 1.327 1.705) 2.496 2.012 ( -0.127 3.083 0.696) 3.163 2.140 ( -0.862 -4.675 2.011) 5.162 2.199 ( 0.784 3.071 -4.898) 5.834 2.258 ( 4.667 -2.261 1.949) 5.540 2.458 ( -1.713 -0.313 -2.443) 3.000 2.533 ( 0.786 -7.419 0.034) 7.460 2.595 ( 1.090 0.048 -8.129) 8.202 2.701 ( 2.452 -4.587 -7.525) 9.147 3.699 ( -9.163 7.383 5.968) 13.194 3.784 ( -11.547 9.537 2.500) 15.184 3.954 ( -14.146 -3.139 5.902) 15.646 4.147 ( -16.486 -14.078 -2.530) 21.826 4.664 ( -4.183 5.009 13.686) 15.163 4.817 ( -7.034 -9.275 9.306) 14.903 5.027 ( 4.004 4.878 1.233) 6.431 5.211 ( 6.155 -2.208 4.491) 7.932 5.362 ( 4.644 1.914 -6.921) 8.552 5.553 ( 6.838 1.700 -3.544) 7.888 5.802 ( 2.565 -2.331 -4.636) 5.789 5.835 ( 2.555 -3.753 -3.005) 5.444 6.352 ( -3.287 -0.751 0.766) 3.458 6.434 ( 0.052 -1.409 0.943) 1.696 6.585 ( -0.596 0.028 4.085) 4.129 6.795 ( 0.560 -0.509 -1.805) 1.957 7.230 ( -12.102 6.090 3.280) 13.939 7.370 ( -12.413 -3.966 -2.546) 13.277 7.516 ( -7.679 -4.121 0.774) 8.749 7.826 ( -7.265 -2.199 -8.382) 11.308 8.438 ( 4.300 3.131 13.846) 14.833 8.625 ( 6.306 2.351 4.553) 8.126 9.166 ( 0.785 -0.301 13.422) 13.448 9.275 ( 2.104 -2.158 9.926) 10.373 9.766 ( 1.604 2.168 -5.238) 5.892 9.865 ( 6.586 -0.957 -6.716) 9.455 10.185 ( -4.684 -1.266 2.751) 5.578 10.403 ( -6.873 0.337 -3.451) 7.699 10.611 ( -5.752 3.934 -6.350) 9.427 10.704 ( -8.045 -2.566 -6.064) 10.396 11.028 ( -3.283 0.421 6.264) 7.084 11.175 ( 0.463 -0.280 1.115) 1.240 12.059 ( 3.681 -1.230 13.586) 14.129 12.184 ( -2.687 -4.335 14.407) 15.283 12.604 ( 8.561 11.165 -2.582) 14.304 12.833 ( 8.046 -6.719 -6.076) 12.116 13.384 ( 11.392 2.778 -7.134) 13.726 13.645 ( 7.509 -0.958 -13.542) 15.514 14.177 ( 0.470 -1.119 -2.900) 3.144 14.334 ( -0.784 0.320 -4.563) 4.641 14.606 ( 2.009 2.145 -1.928) 3.515 14.700 ( 3.339 -2.640 -7.453) 8.583 14.927 ( -3.602 5.039 -2.508) 6.682 15.024 ( -2.894 -3.245 -6.024) 7.429 16.457 ( -0.439 0.377 6.611) 6.636 16.542 ( -0.969 -0.589 4.734) 4.868 16.773 ( -3.223 1.463 1.740) 3.944 16.852 ( -3.792 -2.472 -0.409) 4.545 ======================= Grid point 201 (74/100) ======================= q-point: ( 0.38 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.681 ( 0.934 1.118 -1.755) 2.280 1.786 ( 1.975 2.455 -6.348) 7.087 1.860 ( 0.747 0.655 3.907) 4.031 1.970 ( 0.594 2.212 4.899) 5.408 2.068 ( 4.466 2.751 -3.680) 6.408 2.130 ( -1.339 -1.245 2.649) 3.219 2.220 ( 1.432 3.165 -5.518) 6.521 2.319 ( 0.253 -4.032 -2.119) 4.561 2.437 ( 0.971 0.176 2.353) 2.551 2.504 ( -1.451 -4.612 4.740) 6.771 2.687 ( 5.248 3.982 -8.121) 10.457 2.784 ( 4.613 -4.734 -8.648) 10.885 3.512 ( -6.971 4.098 1.652) 8.254 3.567 ( -7.217 6.210 -0.476) 9.533 3.683 ( -11.510 -10.602 3.353) 16.004 3.800 ( -15.464 -14.618 -2.791) 21.462 4.635 ( 0.712 2.931 18.433) 18.678 4.707 ( -3.428 -4.270 16.468) 17.354 5.097 ( 2.612 1.622 -3.996) 5.042 5.293 ( 1.267 -0.335 -2.208) 2.568 5.455 ( 4.339 0.133 -0.740) 4.404 5.686 ( 3.778 6.502 -1.414) 7.652 5.803 ( 0.513 -4.185 -4.480) 6.152 5.884 ( 1.278 -0.643 -8.290) 8.413 6.232 ( -7.628 -0.294 1.660) 7.812 6.391 ( -3.440 -0.657 -3.129) 4.696 6.623 ( 4.040 -0.620 5.349) 6.731 6.784 ( -1.553 0.032 2.578) 3.010 7.002 ( -11.730 0.347 2.175) 11.935 7.133 ( -4.830 -5.430 -0.708) 7.302 7.313 ( -9.651 -3.692 1.164) 10.398 7.682 ( -5.756 -2.437 -8.181) 10.295 8.557 ( 5.963 2.531 13.366) 14.853 8.786 ( 8.185 1.142 3.057) 8.811 9.147 ( -2.479 1.707 10.071) 10.512 9.258 ( -2.743 -3.807 5.768) 7.435 9.886 ( 7.435 3.338 0.309) 8.156 10.012 ( 4.989 -2.049 -1.846) 5.700 10.150 ( 1.984 -1.869 2.108) 3.446 10.276 ( -3.642 -0.880 2.334) 4.415 10.484 ( -7.221 3.077 -7.792) 11.060 10.563 ( -4.185 -2.626 -13.121) 14.021 10.969 ( -2.454 -0.612 8.544) 8.910 11.188 ( 0.281 0.994 0.065) 1.035 12.095 ( -2.210 -0.031 18.364) 18.496 12.161 ( 2.961 -2.851 18.315) 18.771 12.780 ( 7.311 7.696 -8.709) 13.730 12.922 ( 0.805 -5.176 -12.157) 13.237 13.630 ( 9.975 3.804 -6.817) 12.667 13.821 ( 8.723 -1.095 -13.881) 16.431 14.183 ( -0.514 0.688 0.860) 1.216 14.330 ( 1.458 1.148 -0.802) 2.021 14.629 ( -0.390 1.584 -1.973) 2.560 14.749 ( 0.772 -1.279 -6.883) 7.043 14.830 ( -4.566 5.846 -6.815) 10.074 14.943 ( -4.178 -3.908 -8.190) 9.991 16.477 ( 2.134 -0.139 7.457) 7.758 16.520 ( -0.879 -1.911 7.671) 7.954 16.714 ( -2.276 1.027 0.418) 2.532 16.761 ( -4.446 -2.761 -0.331) 5.244 ======================= Grid point 202 (75/100) ======================= q-point: (-0.50 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( 0.000 0.529 -1.094) 1.215 1.805 ( 0.000 -2.011 -5.283) 5.652 1.856 ( 0.000 8.482 5.141) 9.918 2.024 ( 0.000 -5.319 5.907) 7.949 2.059 ( 0.000 1.849 1.778) 2.565 2.136 ( 0.000 6.688 -5.842) 8.880 2.251 ( 0.000 -1.912 -5.706) 6.018 2.301 ( 0.000 -3.903 -4.550) 5.995 2.457 ( 0.000 -0.623 6.186) 6.217 2.498 ( 0.000 1.386 5.836) 5.999 2.763 ( 0.000 2.201 -7.074) 7.408 2.832 ( 0.000 1.347 -11.310) 11.390 3.479 ( 0.000 -6.311 1.777) 6.557 3.482 ( -0.000 -5.405 1.750) 5.681 3.544 ( 0.000 -6.911 -1.210) 7.017 3.584 ( 0.000 -6.076 -3.423) 6.974 4.652 ( 0.000 0.282 20.401) 20.403 4.671 ( 0.000 -0.532 18.245) 18.253 5.129 ( 0.000 -0.153 -5.528) 5.530 5.293 ( 0.000 0.684 -5.995) 6.034 5.516 ( 0.000 -0.982 3.483) 3.619 5.690 ( 0.000 4.468 -2.153) 4.960 5.835 ( 0.000 -1.855 -4.913) 5.252 5.911 ( 0.000 2.212 -11.200) 11.417 6.117 ( 0.000 -1.978 3.214) 3.774 6.343 ( 0.000 -3.105 -6.303) 7.026 6.727 ( 0.000 -0.656 4.942) 4.985 6.765 ( -0.000 -0.244 4.507) 4.514 6.797 ( 0.000 -3.394 5.507) 6.469 7.131 ( 0.000 -3.536 11.270) 11.812 7.183 ( 0.000 -2.055 -9.926) 10.136 7.617 ( 0.000 -2.015 -8.524) 8.759 8.632 ( 0.000 2.189 13.294) 13.473 8.898 ( 0.000 1.382 0.911) 1.655 9.103 ( 0.000 1.259 10.023) 10.102 9.215 ( 0.000 -3.351 4.710) 5.780 9.973 ( 0.000 -1.967 4.461) 4.875 10.053 ( 0.000 2.268 4.860) 5.363 10.222 ( -0.000 3.131 -0.778) 3.226 10.254 ( 0.000 -1.061 -3.166) 3.339 10.361 ( 0.000 -3.227 -5.750) 6.593 10.523 ( 0.000 -1.429 -15.945) 16.009 10.939 ( 0.000 -0.289 9.773) 9.777 11.189 ( 0.000 0.903 -0.262) 0.941 12.064 ( 0.000 -0.489 19.560) 19.566 12.203 ( 0.000 -1.365 19.920) 19.967 12.887 ( -0.000 1.022 -14.785) 14.820 12.897 ( 0.000 1.546 -11.402) 11.506 13.739 ( 0.000 1.946 -5.948) 6.258 13.942 ( 0.000 -1.394 -14.821) 14.887 14.159 ( 0.000 4.373 5.070) 6.695 14.374 ( 0.000 -0.480 1.132) 1.230 14.602 ( -0.000 1.906 -2.885) 3.457 14.735 ( 0.000 1.124 -6.533) 6.629 14.793 ( 0.000 3.179 -10.284) 10.764 14.891 ( 0.000 -2.700 -8.669) 9.079 16.502 ( 0.000 -1.491 9.457) 9.573 16.523 ( 0.000 -1.422 8.300) 8.421 16.681 ( 0.000 -0.813 -0.388) 0.901 16.707 ( 0.000 -1.369 -1.058) 1.731 ======================= Grid point 243 (76/100) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( 0.000 0.000 -19.135) 19.135 1.338 ( 0.000 0.000 19.135) 19.135 1.393 ( 0.000 0.000 -18.472) 18.472 1.393 ( 0.000 0.000 18.472) 18.472 2.343 ( 0.000 0.000 -13.043) 13.043 2.343 ( 0.000 0.000 13.043) 13.043 2.457 ( 0.000 0.000 -1.965) 1.965 2.457 ( 0.000 0.000 1.965) 1.965 2.764 ( 0.000 0.000 -5.788) 5.788 2.764 ( 0.000 0.000 5.788) 5.788 2.862 ( 0.000 0.000 -4.189) 4.189 2.862 ( 0.000 0.000 4.189) 4.189 3.685 ( 0.000 0.000 -3.032) 3.032 3.685 ( 0.000 0.000 3.032) 3.032 3.698 ( 0.000 0.000 -5.320) 5.320 3.698 ( 0.000 0.000 5.320) 5.320 4.599 ( 0.000 0.000 -14.993) 14.993 4.599 ( 0.000 0.000 14.993) 14.993 4.837 ( 0.000 0.000 -11.117) 11.117 4.837 ( 0.000 0.000 11.117) 11.117 5.828 ( 0.000 0.000 -8.987) 8.987 5.828 ( 0.000 0.000 8.987) 8.987 6.209 ( 0.000 0.000 -8.661) 8.661 6.209 ( 0.000 0.000 8.661) 8.661 6.404 ( 0.000 0.000 -5.704) 5.704 6.404 ( 0.000 0.000 5.704) 5.704 6.697 ( 0.000 0.000 -6.201) 6.201 6.697 ( 0.000 0.000 6.201) 6.201 7.571 ( 0.000 0.000 -6.061) 6.061 7.571 ( 0.000 0.000 6.061) 6.061 7.639 ( 0.000 0.000 -5.812) 5.812 7.639 ( 0.000 0.000 5.812) 5.812 8.426 ( 0.000 0.000 -16.982) 16.982 8.426 ( 0.000 0.000 16.982) 16.982 9.385 ( 0.000 0.000 -2.081) 2.081 9.385 ( 0.000 0.000 2.081) 2.081 9.680 ( 0.000 0.000 -7.232) 7.232 9.680 ( 0.000 0.000 7.232) 7.232 10.138 ( 0.000 0.000 -12.227) 12.227 10.138 ( 0.000 0.000 12.227) 12.227 10.606 ( 0.000 0.000 -6.996) 6.996 10.606 ( 0.000 0.000 6.996) 6.996 11.043 ( 0.000 0.000 -1.161) 1.161 11.043 ( 0.000 0.000 1.161) 1.161 12.190 ( 0.000 0.000 -0.687) 0.687 12.190 ( 0.000 0.000 0.687) 0.687 12.731 ( 0.000 0.000 -22.560) 22.560 12.731 ( 0.000 0.000 22.560) 22.560 13.790 ( 0.000 0.000 -2.861) 2.861 13.790 ( 0.000 0.000 2.861) 2.861 13.822 ( 0.000 0.000 -9.716) 9.716 13.822 ( 0.000 0.000 9.716) 9.716 14.726 ( 0.000 0.000 -4.246) 4.246 14.726 ( 0.000 0.000 4.246) 4.246 15.165 ( 0.000 0.000 -1.132) 1.132 15.165 ( 0.000 0.000 1.132) 1.132 16.169 ( 0.000 0.000 -8.551) 8.551 16.169 ( 0.000 0.000 8.551) 8.551 16.951 ( 0.000 0.000 -6.275) 6.275 16.951 ( 0.000 0.000 6.275) 6.275 ======================= Grid point 245 (77/100) ======================= q-point: ( 0.12 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( 5.333 0.000 -17.982) 18.756 1.398 ( 5.333 0.000 17.982) 18.756 1.402 ( 0.677 0.000 -16.413) 16.427 1.402 ( 0.677 0.000 16.413) 16.427 2.337 ( -0.392 0.000 -7.745) 7.755 2.337 ( -0.392 0.000 7.745) 7.755 2.402 ( -4.529 0.000 -3.994) 6.038 2.402 ( -4.529 0.000 3.994) 6.038 2.758 ( -1.153 0.000 -5.077) 5.206 2.758 ( -1.153 0.000 5.077) 5.206 2.847 ( -2.142 0.000 -4.536) 5.017 2.847 ( -2.142 0.000 4.536) 5.017 3.730 ( 4.838 0.000 -2.577) 5.482 3.730 ( 4.838 0.000 2.577) 5.482 3.816 ( 10.899 0.000 -4.880) 11.941 3.816 ( 10.899 0.000 4.880) 11.941 4.647 ( 4.277 0.000 -15.128) 15.721 4.647 ( 4.277 0.000 15.128) 15.721 4.845 ( 1.205 0.000 -13.183) 13.238 4.845 ( 1.205 0.000 13.183) 13.238 5.827 ( -0.444 0.000 -9.161) 9.172 5.827 ( -0.444 0.000 9.161) 9.172 6.140 ( -6.140 0.000 -8.633) 10.594 6.140 ( -6.140 0.000 8.633) 10.594 6.359 ( -3.519 0.000 -5.233) 6.306 6.359 ( -3.519 0.000 5.233) 6.306 6.762 ( 4.657 0.000 -10.616) 11.592 6.762 ( 4.657 0.000 10.616) 11.592 7.553 ( -1.677 0.000 -9.695) 9.839 7.553 ( -1.677 0.000 9.695) 9.839 7.621 ( -1.850 0.000 -5.157) 5.479 7.621 ( -1.850 0.000 5.157) 5.479 8.540 ( 9.112 0.000 -15.611) 18.075 8.540 ( 9.112 0.000 15.611) 18.075 9.304 ( -6.761 0.000 -1.675) 6.966 9.304 ( -6.761 0.000 1.675) 6.966 9.755 ( 7.193 0.000 -7.975) 10.740 9.755 ( 7.193 0.000 7.975) 10.740 10.177 ( 3.001 0.000 -13.858) 14.179 10.177 ( 3.001 0.000 13.858) 14.179 10.636 ( 2.927 0.000 -6.434) 7.069 10.636 ( 2.927 0.000 6.434) 7.069 11.019 ( -2.509 0.000 -1.880) 3.135 11.019 ( -2.509 0.000 1.880) 3.135 12.232 ( 4.737 0.000 -6.548) 8.082 12.232 ( 4.737 0.000 6.548) 8.082 12.766 ( 3.174 0.000 -21.435) 21.669 12.766 ( 3.174 0.000 21.435) 21.669 13.785 ( -3.372 0.000 -9.885) 10.445 13.785 ( -3.372 0.000 9.885) 10.445 13.819 ( 2.245 0.000 -0.899) 2.418 13.819 ( 2.245 0.000 0.899) 2.418 14.555 ( -13.601 0.000 -4.576) 14.350 14.555 ( -13.601 0.000 4.576) 14.350 15.117 ( -4.549 0.000 -1.488) 4.786 15.117 ( -4.549 0.000 1.488) 4.786 16.300 ( 10.379 0.000 -9.078) 13.789 16.300 ( 10.379 0.000 9.078) 13.789 16.951 ( -0.066 0.000 -6.064) 6.064 16.951 ( -0.066 0.000 6.064) 6.064 ======================= Grid point 247 (78/100) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.441 ( 3.796 0.000 -11.506) 12.116 1.441 ( 3.796 0.000 11.506) 12.116 1.537 ( 7.297 0.000 -15.182) 16.845 1.537 ( 7.297 0.000 15.182) 16.845 2.296 ( -5.110 0.000 -5.778) 7.714 2.296 ( -5.110 0.000 5.778) 7.714 2.317 ( -1.828 0.000 -5.352) 5.656 2.317 ( -1.828 0.000 5.352) 5.656 2.690 ( -5.520 0.000 -2.528) 6.071 2.690 ( -5.520 0.000 2.528) 6.071 2.754 ( -6.605 0.000 -3.748) 7.595 2.754 ( -6.605 0.000 3.748) 7.595 3.916 ( 12.921 0.000 -8.905) 15.693 3.916 ( 12.921 0.000 8.905) 15.693 4.111 ( 15.676 0.000 -4.067) 16.195 4.111 ( 15.676 0.000 4.067) 16.195 4.762 ( 6.475 0.000 -14.313) 15.710 4.762 ( 6.475 0.000 14.313) 15.710 4.897 ( 3.575 0.000 -14.234) 14.676 4.897 ( 3.575 0.000 14.234) 14.676 5.772 ( -5.920 0.000 -8.957) 10.737 5.772 ( -5.920 0.000 8.957) 10.737 5.959 ( -11.094 0.000 -8.412) 13.922 5.959 ( -11.094 0.000 8.412) 13.922 6.317 ( 1.185 0.000 -3.837) 4.015 6.317 ( 1.185 0.000 3.837) 4.015 6.832 ( 1.119 0.000 -10.200) 10.261 6.832 ( 1.119 0.000 10.200) 10.261 7.508 ( -2.280 0.000 -13.528) 13.718 7.508 ( -2.280 0.000 13.528) 13.718 7.567 ( -2.941 0.000 -4.031) 4.990 7.567 ( -2.941 0.000 4.031) 4.990 8.718 ( 6.628 0.000 -10.860) 12.723 8.718 ( 6.628 0.000 10.860) 12.723 9.146 ( -7.554 0.000 -2.321) 7.902 9.146 ( -7.554 0.000 2.321) 7.902 9.960 ( 11.011 0.000 -11.202) 15.708 9.960 ( 11.011 0.000 11.202) 15.708 10.232 ( 1.826 0.000 -18.073) 18.165 10.232 ( 1.826 0.000 18.073) 18.165 10.725 ( 5.329 0.000 -7.020) 8.814 10.725 ( 5.329 0.000 7.020) 8.814 10.954 ( -2.723 0.000 -3.597) 4.511 10.954 ( -2.723 0.000 3.597) 4.511 12.402 ( 10.826 0.000 -9.776) 14.586 12.402 ( 10.826 0.000 9.776) 14.586 12.846 ( 3.866 0.000 -17.268) 17.695 12.846 ( 3.866 0.000 17.268) 17.695 13.692 ( -5.036 0.000 -10.898) 12.005 13.692 ( -5.036 0.000 10.898) 12.005 13.849 ( -0.661 0.000 -9.139) 9.163 13.849 ( -0.661 0.000 9.139) 9.163 14.285 ( -9.201 0.000 -5.983) 10.975 14.285 ( -9.201 0.000 5.983) 10.975 14.973 ( -9.158 0.000 -2.001) 9.374 14.973 ( -9.158 0.000 2.001) 9.374 16.525 ( 10.175 0.000 -7.403) 12.583 16.525 ( 10.175 0.000 7.403) 12.583 16.943 ( -0.772 0.000 -5.315) 5.371 16.943 ( -0.772 0.000 5.315) 5.371 ======================= Grid point 249 (79/100) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.565 ( 7.320 0.000 -5.629) 9.234 1.565 ( 7.320 0.000 5.629) 9.234 1.676 ( 5.006 0.000 -10.814) 11.917 1.676 ( 5.006 0.000 10.814) 11.917 2.205 ( -2.997 0.000 -7.727) 8.288 2.205 ( -2.997 0.000 7.727) 8.288 2.263 ( -3.113 0.000 -8.666) 9.208 2.263 ( -3.113 0.000 8.666) 9.208 2.553 ( -6.208 0.000 -5.281) 8.150 2.553 ( -6.208 0.000 5.281) 8.150 2.596 ( -7.505 0.000 -4.061) 8.533 2.596 ( -7.505 0.000 4.061) 8.533 4.223 ( 14.462 0.000 -10.991) 18.164 4.223 ( 14.462 0.000 10.991) 18.164 4.391 ( 8.980 0.000 -5.827) 10.705 4.391 ( 8.980 0.000 5.827) 10.705 4.927 ( 9.616 0.000 -9.686) 13.649 4.927 ( 9.616 0.000 9.686) 13.649 4.990 ( 5.358 0.000 -11.652) 12.825 4.990 ( 5.358 0.000 11.652) 12.825 5.580 ( -11.015 0.000 -9.185) 14.342 5.580 ( -11.015 0.000 9.185) 14.342 5.687 ( -14.187 0.000 -9.437) 17.039 5.687 ( -14.187 0.000 9.437) 17.039 6.427 ( 8.472 0.000 -1.903) 8.683 6.427 ( 8.472 0.000 1.903) 8.683 6.789 ( -5.288 0.000 -7.336) 9.043 6.789 ( -5.288 0.000 7.336) 9.043 7.472 ( -0.870 0.000 -13.821) 13.849 7.472 ( -0.870 0.000 13.821) 13.849 7.511 ( -2.277 0.000 -6.446) 6.836 7.511 ( -2.277 0.000 6.446) 6.836 8.820 ( 3.782 0.000 -5.803) 6.926 8.820 ( 3.782 0.000 5.803) 6.926 9.005 ( -5.860 0.000 -2.851) 6.517 9.005 ( -5.860 0.000 2.851) 6.517 10.150 ( 6.279 0.000 -16.128) 17.307 10.150 ( 6.279 0.000 16.128) 17.307 10.250 ( -0.085 0.000 -20.007) 20.007 10.250 ( -0.085 0.000 20.007) 20.007 10.843 ( 5.360 0.000 -8.138) 9.745 10.843 ( 5.360 0.000 8.138) 9.745 10.932 ( 0.319 0.000 -5.413) 5.422 10.932 ( 0.319 0.000 5.413) 5.422 12.636 ( 10.536 0.000 -9.718) 14.334 12.636 ( 10.536 0.000 9.718) 14.334 12.894 ( -0.189 0.000 -9.220) 9.222 12.894 ( -0.189 0.000 9.220) 9.222 13.606 ( -2.138 0.000 -14.304) 14.463 13.606 ( -2.138 0.000 14.304) 14.463 13.756 ( -6.986 0.000 -16.777) 18.173 13.756 ( -6.986 0.000 16.777) 18.173 14.257 ( 5.958 0.000 -4.324) 7.362 14.257 ( 5.958 0.000 4.324) 7.362 14.741 ( -12.695 0.000 -2.209) 12.885 14.741 ( -12.695 0.000 2.209) 12.885 16.711 ( 7.447 0.000 -4.375) 8.637 16.711 ( 7.447 0.000 4.375) 8.637 16.912 ( -2.398 0.000 -3.967) 4.636 16.912 ( -2.398 0.000 3.967) 4.636 ======================= Grid point 251 (80/100) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( -2.471 0.000 -5.342) 5.885 1.696 ( 2.471 0.000 -5.342) 5.885 1.696 ( -2.471 0.000 5.342) 5.885 1.696 ( 2.471 0.000 5.342) 5.885 2.199 ( -1.548 0.000 -9.889) 10.010 2.199 ( 1.548 0.000 -9.889) 10.010 2.199 ( -1.548 0.000 9.889) 10.010 2.199 ( 1.548 0.000 9.889) 10.010 2.491 ( -1.198 0.000 -6.341) 6.453 2.491 ( 1.198 0.000 -6.341) 6.453 2.491 ( -1.198 0.000 6.341) 6.453 2.491 ( 1.198 0.000 6.341) 6.453 4.438 ( -3.868 0.000 -8.758) 9.575 4.438 ( 3.868 0.000 -8.758) 9.575 4.438 ( -3.868 0.000 8.758) 9.575 4.438 ( 3.868 0.000 8.758) 9.575 5.084 ( -0.037 0.000 -5.544) 5.544 5.084 ( 0.037 0.000 -5.544) 5.544 5.084 ( -0.037 0.000 5.544) 5.544 5.084 ( 0.037 0.000 5.544) 5.544 5.448 ( -2.158 0.000 -12.114) 12.305 5.448 ( 2.158 0.000 -12.114) 12.305 5.448 ( -2.158 0.000 12.114) 12.305 5.448 ( 2.158 0.000 12.114) 12.305 6.626 ( -7.436 0.000 -3.677) 8.296 6.626 ( -7.436 0.000 3.677) 8.296 6.626 ( 7.436 0.000 -3.677) 8.296 6.626 ( 7.436 0.000 3.677) 8.296 7.475 ( -0.074 0.000 -10.977) 10.978 7.475 ( 0.074 0.000 -10.977) 10.978 7.475 ( -0.074 0.000 10.977) 10.978 7.475 ( 0.074 0.000 10.977) 10.978 8.900 ( -0.803 0.000 -3.325) 3.421 8.900 ( -0.803 0.000 3.325) 3.421 8.900 ( 0.803 0.000 -3.325) 3.421 8.900 ( 0.803 0.000 3.325) 3.421 10.230 ( -0.596 0.000 -19.139) 19.149 10.230 ( 0.596 0.000 -19.139) 19.149 10.230 ( -0.596 0.000 19.139) 19.149 10.230 ( 0.596 0.000 19.139) 19.149 10.924 ( -1.213 0.000 -7.516) 7.613 10.924 ( 1.213 0.000 -7.516) 7.613 10.924 ( -1.213 0.000 7.516) 7.613 10.924 ( 1.213 0.000 7.516) 7.613 12.820 ( -5.081 0.000 -6.259) 8.062 12.820 ( 5.081 0.000 -6.259) 8.062 12.820 ( -5.081 0.000 6.259) 8.062 12.820 ( 5.081 0.000 6.259) 8.062 13.628 ( -1.715 0.000 -17.506) 17.590 13.628 ( 1.715 0.000 -17.506) 17.590 13.628 ( -1.715 0.000 17.506) 17.590 13.628 ( 1.715 0.000 17.506) 17.590 14.466 ( -9.063 0.000 -2.213) 9.330 14.466 ( -9.063 0.000 2.213) 9.330 14.466 ( 9.063 0.000 -2.213) 9.330 14.466 ( 9.063 0.000 2.213) 9.330 16.838 ( -4.612 0.000 -2.867) 5.431 16.838 ( 4.612 0.000 -2.867) 5.431 16.838 ( -4.612 0.000 2.867) 5.431 16.838 ( 4.612 0.000 2.867) 5.431 ======================= Grid point 261 (81/100) ======================= q-point: ( 0.00 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( 0.000 0.776 -17.312) 17.330 1.363 ( 0.000 0.776 17.312) 17.330 1.456 ( 0.000 6.077 -16.689) 17.761 1.456 ( 0.000 6.077 16.689) 17.761 2.189 ( 0.000 -6.833 -4.689) 8.287 2.189 ( 0.000 -6.833 4.689) 8.287 2.557 ( 0.000 2.877 -4.951) 5.727 2.557 ( 0.000 2.877 4.951) 5.727 2.711 ( 0.000 -5.170 -5.876) 7.827 2.711 ( 0.000 -5.170 5.876) 7.827 2.884 ( 0.000 1.471 -0.606) 1.591 2.884 ( 0.000 1.471 0.606) 1.591 3.634 ( 0.000 -0.163 -0.551) 0.575 3.634 ( 0.000 -0.163 0.551) 0.575 3.841 ( 0.000 9.523 -0.399) 9.531 3.841 ( 0.000 9.523 0.399) 9.531 4.591 ( 0.000 -0.263 -10.131) 10.134 4.591 ( 0.000 -0.263 10.131) 10.134 4.862 ( 0.000 3.135 -6.488) 7.206 4.862 ( 0.000 3.135 6.488) 7.206 5.945 ( 0.000 6.700 -8.960) 11.188 5.945 ( 0.000 6.700 8.960) 11.188 6.147 ( 0.000 -5.986 -7.260) 9.410 6.147 ( 0.000 -5.986 7.260) 9.410 6.447 ( 0.000 4.105 -3.867) 5.640 6.447 ( 0.000 4.105 3.867) 5.640 6.722 ( 0.000 3.291 -7.148) 7.869 6.722 ( 0.000 3.291 7.148) 7.869 7.554 ( 0.000 -1.077 -1.248) 1.649 7.554 ( 0.000 -1.077 1.248) 1.649 7.659 ( 0.000 0.993 -0.268) 1.029 7.659 ( 0.000 0.993 0.268) 1.029 8.394 ( 0.000 -2.036 -14.122) 14.268 8.394 ( 0.000 -2.036 14.122) 14.268 9.377 ( 0.000 -1.441 -2.659) 3.024 9.377 ( 0.000 -1.441 2.659) 3.024 9.628 ( 0.000 -4.136 -8.279) 9.255 9.628 ( 0.000 -4.136 8.279) 9.255 10.146 ( 0.000 1.147 -10.319) 10.383 10.146 ( 0.000 1.147 10.319) 10.383 10.558 ( 0.000 -1.381 -9.750) 9.847 10.558 ( 0.000 -1.381 9.750) 9.847 11.195 ( 0.000 11.301 -0.266) 11.304 11.195 ( 0.000 11.301 0.266) 11.304 12.138 ( 0.000 -4.540 -0.317) 4.552 12.138 ( 0.000 -4.540 0.317) 4.552 12.704 ( 0.000 -3.160 -20.094) 20.341 12.704 ( 0.000 -3.160 20.094) 20.341 13.533 ( 0.000 -10.944 -6.229) 12.592 13.533 ( 0.000 -10.944 6.229) 12.592 14.093 ( 0.000 12.214 -4.350) 12.965 14.093 ( 0.000 12.214 4.350) 12.965 14.721 ( 0.000 -0.096 -5.038) 5.039 14.721 ( 0.000 -0.096 5.038) 5.039 15.036 ( 0.000 -10.688 -0.986) 10.734 15.036 ( 0.000 -10.688 0.986) 10.734 16.271 ( 0.000 8.284 -7.551) 11.209 16.271 ( 0.000 8.284 7.551) 11.209 16.950 ( 0.000 -0.121 -6.184) 6.185 16.950 ( 0.000 -0.121 6.184) 6.185 ======================= Grid point 263 (82/100) ======================= q-point: ( 0.12 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( -0.094 -0.913 -14.452) 14.481 1.365 ( -0.094 -0.913 14.452) 14.481 1.497 ( 4.501 6.381 -13.546) 15.636 1.497 ( 4.501 6.381 13.546) 15.636 2.203 ( 0.555 -6.426 -4.201) 7.698 2.203 ( 0.555 -6.426 4.201) 7.698 2.502 ( -4.283 3.470 -4.487) 7.108 2.502 ( -4.283 3.470 4.487) 7.108 2.706 ( -1.153 -4.828 -4.747) 6.868 2.706 ( -1.153 -4.828 4.747) 6.868 2.864 ( -2.134 1.166 -2.345) 3.379 2.864 ( -2.134 1.166 2.345) 3.379 3.639 ( 2.099 -4.064 -3.643) 5.848 3.639 ( 2.099 -4.064 3.643) 5.848 3.972 ( 10.935 10.537 -2.998) 15.479 3.972 ( 10.935 10.537 2.998) 15.479 4.623 ( 2.909 -1.334 -9.878) 10.384 4.623 ( 2.909 -1.334 9.878) 10.384 4.892 ( 2.829 4.256 -7.907) 9.415 4.892 ( 2.829 4.256 7.907) 9.415 5.896 ( -4.492 3.466 -8.953) 10.599 5.896 ( -4.492 3.466 8.953) 10.599 6.068 ( -6.916 -6.041 -7.461) 11.831 6.068 ( -6.916 -6.041 7.461) 11.831 6.407 ( -2.942 4.074 -3.190) 5.952 6.407 ( -2.942 4.074 3.190) 5.952 6.777 ( 3.887 1.690 -9.407) 10.318 6.777 ( 3.887 1.690 9.407) 10.318 7.506 ( -4.451 -3.362 -9.075) 10.653 7.506 ( -4.451 -3.362 9.075) 10.653 7.675 ( 1.338 3.585 -5.791) 6.941 7.675 ( 1.338 3.585 5.791) 6.941 8.471 ( 5.686 -5.204 -11.634) 13.956 8.471 ( 5.686 -5.204 11.634) 13.956 9.323 ( -3.018 1.282 -5.974) 6.815 9.323 ( -3.018 1.282 5.974) 6.815 9.742 ( 8.762 -1.843 -8.467) 12.323 9.742 ( 8.762 -1.843 8.467) 12.323 10.175 ( 2.473 0.099 -10.528) 10.815 10.175 ( 2.473 0.099 10.528) 10.815 10.579 ( 1.891 -1.935 -8.925) 9.326 10.579 ( 1.891 -1.935 8.925) 9.326 11.141 ( -4.796 8.603 -3.553) 10.471 11.141 ( -4.796 8.603 3.553) 10.471 12.181 ( 4.702 -4.137 -5.915) 8.615 12.181 ( 4.702 -4.137 5.915) 8.615 12.754 ( 4.365 -1.872 -17.517) 18.149 12.754 ( 4.365 -1.872 17.517) 18.149 13.527 ( -0.872 -11.371 -5.150) 12.513 13.527 ( -0.872 -11.371 5.150) 12.513 14.089 ( -0.225 12.370 -3.521) 12.863 14.089 ( -0.225 12.370 3.521) 12.863 14.541 ( -13.107 -0.711 -4.157) 13.769 14.541 ( -13.107 -0.711 4.157) 13.769 15.064 ( -0.335 -4.839 -1.823) 5.182 15.064 ( -0.335 -4.839 1.823) 5.182 16.353 ( 7.035 4.654 -7.792) 11.483 16.353 ( 7.035 4.654 7.792) 11.483 16.948 ( -0.292 -0.366 -5.962) 5.980 16.948 ( -0.292 -0.366 5.962) 5.980 ======================= Grid point 265 (83/100) ======================= q-point: ( 0.25 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( 3.930 -1.798 -9.857) 10.763 1.396 ( 3.930 -1.798 9.857) 10.763 1.624 ( 6.778 6.221 -11.410) 14.657 1.624 ( 6.778 6.221 11.410) 14.657 2.182 ( -2.585 -6.151 -6.157) 9.078 2.182 ( -2.585 -6.151 6.157) 9.078 2.410 ( -4.206 3.851 -4.045) 6.992 2.410 ( -4.206 3.851 4.045) 6.992 2.641 ( -5.113 -3.894 -4.134) 7.641 2.641 ( -5.113 -3.894 4.134) 7.641 2.784 ( -5.697 2.069 -3.288) 6.896 2.784 ( -5.697 2.069 3.288) 6.896 3.771 ( 10.747 -10.190 -3.379) 15.190 3.771 ( 10.747 -10.190 3.379) 15.190 4.240 ( 13.049 8.285 -6.202) 16.654 4.240 ( 13.049 8.285 6.202) 16.654 4.705 ( 4.917 -2.761 -9.328) 10.900 4.705 ( 4.917 -2.761 9.328) 10.900 4.978 ( 5.326 5.622 -7.658) 10.891 4.978 ( 5.326 5.622 7.658) 10.891 5.741 ( -10.918 -5.269 -8.755) 14.953 5.741 ( -10.918 -5.269 8.755) 14.953 5.905 ( -7.661 -2.291 -6.630) 10.388 5.905 ( -7.661 -2.291 6.630) 10.388 6.367 ( 0.140 3.590 -2.039) 4.131 6.367 ( 0.140 3.590 2.039) 4.131 6.834 ( 0.799 0.055 -8.685) 8.722 6.834 ( 0.799 0.055 8.685) 8.722 7.402 ( -4.556 -6.352 -10.018) 12.707 7.402 ( -4.556 -6.352 10.018) 12.707 7.680 ( -1.385 6.427 -5.883) 8.823 7.680 ( -1.385 6.427 5.883) 8.823 8.582 ( 4.885 -8.816 -6.155) 11.810 8.582 ( 4.885 -8.816 6.155) 11.810 9.269 ( -2.786 8.091 -5.612) 10.233 9.269 ( -2.786 8.091 5.612) 10.233 9.945 ( 9.631 -1.949 -9.493) 13.663 9.945 ( 9.631 -1.949 9.493) 13.663 10.230 ( 2.198 -0.842 -13.731) 13.931 10.230 ( 2.198 -0.842 13.731) 13.931 10.629 ( 2.859 -4.728 -6.597) 8.605 10.629 ( 2.859 -4.728 6.597) 8.605 11.038 ( -3.834 4.947 -4.437) 7.672 11.038 ( -3.834 4.947 4.437) 7.672 12.338 ( 9.598 -5.004 -8.823) 13.965 12.338 ( 9.598 -5.004 8.823) 13.965 12.856 ( 4.282 -0.445 -10.443) 11.295 12.856 ( 4.282 -0.445 10.443) 11.295 13.496 ( -1.350 -9.941 -7.178) 12.335 13.496 ( -1.350 -9.941 7.178) 12.335 14.077 ( -2.374 12.961 -5.076) 14.121 14.077 ( -2.374 12.961 5.076) 14.121 14.290 ( -8.216 1.317 -4.701) 9.557 14.290 ( -8.216 1.317 4.701) 9.557 14.982 ( -7.207 0.394 -1.871) 7.457 14.982 ( -7.207 0.394 1.871) 7.457 16.524 ( 8.538 -0.010 -6.535) 10.751 16.524 ( 8.538 -0.010 6.535) 10.751 16.934 ( -1.105 -0.962 -5.227) 5.428 16.934 ( -1.105 -0.962 5.227) 5.428 ======================= Grid point 267 (84/100) ======================= q-point: ( 0.38 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( 7.909 -1.608 -5.016) 9.502 1.528 ( 7.909 -1.608 5.016) 9.502 1.742 ( 2.999 4.526 -7.467) 9.232 1.742 ( 2.999 4.526 7.467) 9.232 2.130 ( -0.797 -4.506 -7.725) 8.978 2.130 ( -0.797 -4.506 7.725) 8.978 2.323 ( -4.575 3.053 -5.245) 7.600 2.323 ( -4.575 3.053 5.245) 7.600 2.524 ( -4.571 -1.686 -2.827) 5.633 2.524 ( -4.571 -1.686 2.827) 5.633 2.636 ( -7.573 2.882 -1.276) 8.202 2.636 ( -7.573 2.882 1.276) 8.202 4.058 ( 15.182 -13.260 -4.291) 20.609 4.058 ( 15.182 -13.260 4.291) 20.609 4.424 ( 2.570 -0.672 -7.884) 8.319 4.424 ( 2.570 -0.672 7.884) 8.319 4.845 ( 8.744 -2.341 -10.959) 14.214 4.845 ( 8.744 -2.341 10.959) 14.214 5.103 ( 5.202 5.464 -4.470) 8.769 5.103 ( 5.202 5.464 4.470) 8.769 5.486 ( -10.443 -6.333 -11.412) 16.715 5.486 ( -10.443 -6.333 11.412) 16.715 5.728 ( -9.896 2.393 -5.950) 11.792 5.728 ( -9.896 2.393 5.950) 11.792 6.435 ( 6.102 0.275 -1.207) 6.227 6.435 ( 6.102 0.275 1.207) 6.227 6.794 ( -4.617 0.282 -6.780) 8.208 6.794 ( -4.617 0.282 6.780) 8.208 7.337 ( -1.564 -7.671 -9.055) 11.970 7.337 ( -1.564 -7.671 9.055) 11.970 7.625 ( -3.133 5.112 -9.297) 11.063 7.625 ( -3.133 5.112 9.297) 11.063 8.686 ( 4.812 -6.307 -1.156) 8.016 8.686 ( 4.812 -6.307 1.156) 8.016 9.193 ( -4.085 11.400 -4.141) 12.799 9.193 ( -4.085 11.400 4.141) 12.799 10.102 ( 4.949 -3.465 -11.367) 12.873 10.102 ( 4.949 -3.465 11.367) 12.873 10.247 ( -0.706 -2.133 -16.777) 16.927 10.247 ( -0.706 -2.133 16.777) 16.927 10.721 ( 6.156 -7.834 -3.038) 10.417 10.721 ( 6.156 -7.834 3.038) 10.417 10.986 ( -2.074 2.758 -3.840) 5.163 10.986 ( -2.074 2.758 3.840) 5.163 12.549 ( 10.012 -6.608 -9.819) 15.502 12.549 ( 10.012 -6.608 9.819) 15.502 12.880 ( -2.786 -3.353 -7.947) 9.064 12.880 ( -2.786 -3.353 7.947) 9.064 13.521 ( 4.347 -2.349 -13.578) 14.450 13.521 ( 4.347 -2.349 13.578) 14.450 13.928 ( -9.624 10.871 -10.476) 17.904 13.928 ( -9.624 10.871 10.476) 17.904 14.285 ( 5.644 3.344 -2.435) 6.998 14.285 ( 5.644 3.344 2.435) 6.998 14.784 ( -10.853 3.515 -1.743) 11.540 14.784 ( -10.853 3.515 1.743) 11.540 16.690 ( 7.052 -1.927 -4.028) 8.346 16.690 ( 7.052 -1.927 4.028) 8.346 16.896 ( -2.691 -1.622 -3.958) 5.054 16.896 ( -2.691 -1.622 3.958) 5.054 ======================= Grid point 269 (85/100) ======================= q-point: (-0.50 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.665 ( -0.000 -0.641 -4.495) 4.540 1.665 ( -0.000 -0.641 4.495) 4.540 1.724 ( 0.000 0.618 -5.190) 5.227 1.724 ( 0.000 0.618 5.190) 5.227 2.178 ( -0.000 -0.567 -9.370) 9.387 2.178 ( 0.000 -0.567 9.370) 9.387 2.220 ( 0.000 0.872 -8.588) 8.632 2.220 ( 0.000 0.872 8.588) 8.632 2.501 ( -0.000 0.936 -6.405) 6.473 2.501 ( -0.000 0.936 6.405) 6.473 2.519 ( 0.000 2.425 -5.259) 5.791 2.519 ( 0.000 2.425 5.259) 5.791 4.320 ( -0.000 -10.126 -6.504) 12.035 4.320 ( -0.000 -10.126 6.504) 12.035 4.357 ( -0.000 -9.964 -7.014) 12.185 4.357 ( 0.000 -9.964 7.014) 12.185 5.025 ( 0.000 -3.317 -11.151) 11.634 5.025 ( -0.000 -3.317 11.151) 11.634 5.069 ( 0.000 -1.917 -7.424) 7.667 5.069 ( 0.000 -1.917 7.424) 7.667 5.458 ( 0.000 3.545 -9.583) 10.217 5.458 ( -0.000 3.545 9.583) 10.217 5.538 ( 0.000 5.065 -6.345) 8.119 5.538 ( 0.000 5.065 6.345) 8.119 6.550 ( 0.000 -4.164 -4.135) 5.868 6.550 ( 0.000 -4.164 4.135) 5.868 6.697 ( 0.000 3.228 -4.288) 5.367 6.697 ( 0.000 3.228 4.288) 5.367 7.325 ( 0.000 -7.664 -8.867) 11.720 7.325 ( 0.000 -7.664 8.867) 11.720 7.585 ( 0.000 3.385 -12.969) 13.404 7.585 ( 0.000 3.385 12.969) 13.404 8.747 ( 0.000 -4.276 -3.346) 5.430 8.747 ( 0.000 -4.276 3.346) 5.430 9.139 ( 0.000 12.009 -7.935) 14.394 9.139 ( 0.000 12.009 7.935) 14.394 10.158 ( 0.000 -3.265 -15.005) 15.356 10.158 ( 0.000 -3.265 15.005) 15.356 10.226 ( 0.000 -4.096 -22.960) 23.322 10.226 ( 0.000 -4.096 22.960) 23.322 10.825 ( -0.000 -9.149 -7.649) 11.925 10.825 ( 0.000 -9.149 7.649) 11.925 10.939 ( 0.000 2.287 -8.093) 8.410 10.939 ( 0.000 2.287 8.093) 8.410 12.723 ( 0.000 -5.512 -7.630) 9.413 12.723 ( 0.000 -5.512 7.630) 9.413 12.776 ( -0.000 -7.112 -12.478) 14.363 12.776 ( 0.000 -7.112 12.478) 14.363 13.618 ( 0.000 2.908 -14.992) 15.272 13.618 ( 0.000 2.908 14.992) 15.272 13.779 ( -0.000 9.884 -16.321) 19.080 13.779 ( 0.000 9.884 16.321) 19.080 14.404 ( 0.000 0.093 -2.291) 2.293 14.404 ( 0.000 0.093 2.291) 2.293 14.612 ( -0.000 7.464 -2.097) 7.753 14.612 ( 0.000 7.464 2.097) 7.753 16.806 ( 0.000 -2.534 -2.535) 3.584 16.806 ( 0.000 -2.534 2.535) 3.584 16.826 ( -0.000 -1.704 -3.451) 3.849 16.826 ( -0.000 -1.704 3.451) 3.849 ======================= Grid point 279 (86/100) ======================= q-point: ( 0.00 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.364 ( 0.000 1.146 -14.431) 14.476 1.364 ( 0.000 1.146 14.431) 14.476 1.617 ( 0.000 9.612 -14.740) 17.597 1.617 ( 0.000 9.612 14.740) 17.597 2.112 ( 0.000 -2.483 -1.738) 3.030 2.112 ( 0.000 -2.483 1.738) 3.030 2.519 ( 0.000 -7.600 -5.395) 9.320 2.519 ( 0.000 -7.600 5.395) 9.320 2.589 ( 0.000 -5.900 -1.723) 6.146 2.589 ( 0.000 -5.900 1.723) 6.146 2.877 ( 0.000 -2.750 -2.030) 3.418 2.877 ( 0.000 -2.750 2.030) 3.418 3.716 ( 0.000 8.861 -6.920) 11.243 3.716 ( 0.000 8.861 6.920) 11.243 4.059 ( 0.000 12.462 -2.275) 12.668 4.059 ( 0.000 12.462 2.275) 12.668 4.606 ( 0.000 2.077 -7.027) 7.327 4.606 ( 0.000 2.077 7.027) 7.327 4.954 ( 0.000 5.312 -3.054) 6.128 4.954 ( 0.000 5.312 3.054) 6.128 5.890 ( 0.000 -12.193 -3.084) 12.577 5.890 ( 0.000 -12.193 3.084) 12.577 6.035 ( 0.000 -5.509 -0.326) 5.519 6.035 ( 0.000 -5.509 0.326) 5.519 6.494 ( 0.000 -0.728 -1.698) 1.848 6.494 ( 0.000 -0.728 1.698) 1.848 6.827 ( 0.000 4.695 -6.466) 7.990 6.827 ( 0.000 4.695 6.466) 7.990 7.533 ( 0.000 -0.908 -3.583) 3.697 7.533 ( 0.000 -0.908 3.583) 3.697 7.674 ( 0.000 1.148 -7.119) 7.211 7.674 ( 0.000 1.148 7.119) 7.211 8.406 ( 0.000 3.866 -8.610) 9.438 8.406 ( 0.000 3.866 8.610) 9.438 9.281 ( 0.000 -6.308 -4.874) 7.972 9.281 ( 0.000 -6.308 4.874) 7.972 9.631 ( 0.000 4.373 -1.784) 4.723 9.631 ( 0.000 4.373 1.784) 4.723 10.193 ( 0.000 3.751 -8.502) 9.293 10.193 ( 0.000 3.751 8.502) 9.293 10.585 ( 0.000 3.346 -9.379) 9.958 10.585 ( 0.000 3.346 9.379) 9.958 11.378 ( 0.000 5.622 -2.713) 6.243 11.378 ( 0.000 5.622 2.713) 6.243 12.061 ( 0.000 -2.000 -2.848) 3.480 12.061 ( 0.000 -2.000 2.848) 3.480 12.601 ( 0.000 -6.687 -13.362) 14.942 12.601 ( 0.000 -6.687 13.362) 14.942 13.391 ( 0.000 -3.993 -4.922) 6.337 13.391 ( 0.000 -3.993 4.922) 6.337 14.236 ( 0.000 1.569 -0.993) 1.857 14.236 ( 0.000 1.569 0.993) 1.857 14.734 ( 0.000 -0.453 -5.853) 5.870 14.734 ( 0.000 -0.453 5.853) 5.870 14.845 ( 0.000 -5.024 -0.139) 5.026 14.845 ( 0.000 -5.024 0.139) 5.026 16.427 ( 0.000 6.760 -4.871) 8.332 16.427 ( 0.000 6.760 4.871) 8.332 16.943 ( 0.000 -0.694 -5.654) 5.696 16.943 ( 0.000 -0.694 5.654) 5.696 ======================= Grid point 281 (87/100) ======================= q-point: ( 0.12 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( 0.503 2.183 -12.636) 12.833 1.368 ( 0.503 2.183 12.636) 12.833 1.650 ( 3.540 8.967 -13.023) 16.203 1.650 ( 3.540 8.967 13.023) 16.203 2.106 ( -0.932 -4.161 -4.391) 6.121 2.106 ( -0.932 -4.161 4.391) 6.121 2.499 ( -1.887 -4.357 -3.741) 6.045 2.499 ( -1.887 -4.357 3.741) 6.045 2.585 ( -0.492 -6.650 -3.334) 7.455 2.585 ( -0.492 -6.650 3.334) 7.455 2.860 ( -1.517 -2.359 -3.552) 4.526 2.860 ( -1.517 -2.359 3.552) 4.526 3.634 ( -4.922 4.491 -2.877) 7.257 3.634 ( -4.922 4.491 2.877) 7.257 4.189 ( 9.288 10.831 -4.351) 14.916 4.189 ( 9.288 10.831 4.351) 14.916 4.624 ( 2.215 2.076 -6.365) 7.052 4.624 ( 2.215 2.076 6.365) 7.052 4.991 ( 3.171 5.104 -5.113) 7.890 4.991 ( 3.171 5.104 5.113) 7.890 5.789 ( -8.918 -12.914 -6.361) 16.934 5.789 ( -8.918 -12.914 6.361) 16.934 5.997 ( -3.486 -2.979 -2.673) 5.307 5.997 ( -3.486 -2.979 2.673) 5.307 6.474 ( -2.057 1.694 -1.034) 2.858 6.474 ( -2.057 1.694 1.034) 2.858 6.813 ( -0.705 0.580 -6.448) 6.512 6.813 ( -0.705 0.580 6.448) 6.512 7.444 ( -7.000 -2.013 -8.294) 11.039 7.444 ( -7.000 -2.013 8.294) 11.039 7.733 ( 4.014 2.022 -7.185) 8.475 7.733 ( 4.014 2.022 7.185) 8.475 8.414 ( 1.011 0.491 -7.020) 7.110 8.414 ( 1.011 0.491 7.020) 7.110 9.324 ( 3.864 -1.065 -8.774) 9.646 9.324 ( 3.864 -1.065 8.774) 9.646 9.706 ( 5.884 -0.784 -9.056) 10.828 9.706 ( 5.884 -0.784 9.056) 10.828 10.208 ( 1.283 3.377 -7.673) 8.481 10.208 ( 1.283 3.377 7.673) 8.481 10.603 ( 1.127 3.393 -9.343) 10.004 10.603 ( 1.127 3.393 9.343) 10.004 11.263 ( -8.933 2.815 -5.443) 10.833 11.263 ( -8.933 2.815 5.443) 10.833 12.124 ( 5.456 -0.517 -4.392) 7.023 12.124 ( 5.456 -0.517 4.392) 7.023 12.673 ( 5.955 -6.088 -7.987) 11.675 12.673 ( 5.955 -6.088 7.987) 11.675 13.376 ( -1.128 -4.273 -5.694) 7.208 13.376 ( -1.128 -4.273 5.694) 7.208 14.233 ( -0.331 1.589 -1.587) 2.270 14.233 ( -0.331 1.589 1.587) 2.270 14.568 ( -9.266 3.471 -3.680) 10.557 14.568 ( -9.266 3.471 3.680) 10.557 14.962 ( 4.401 -4.380 -4.231) 7.513 14.962 ( 4.401 -4.380 4.231) 7.513 16.451 ( 2.381 4.716 -5.054) 7.311 16.451 ( 2.381 4.716 5.054) 7.311 16.934 ( -0.875 -1.080 -5.493) 5.666 16.934 ( -0.875 -1.080 5.493) 5.666 ======================= Grid point 283 (88/100) ======================= q-point: ( 0.25 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( 4.090 3.471 -7.294) 9.054 1.410 ( 4.090 3.471 7.294) 9.054 1.756 ( 5.593 7.158 -9.975) 13.492 1.756 ( 5.593 7.158 9.975) 13.492 2.067 ( -2.348 -5.474 -4.940) 7.738 2.067 ( -2.348 -5.474 4.940) 7.738 2.441 ( -3.506 -1.165 -2.808) 4.641 2.441 ( -3.506 -1.165 2.808) 4.641 2.554 ( -2.623 -4.603 -4.777) 7.134 2.554 ( -2.623 -4.603 4.777) 7.134 2.811 ( -3.707 -0.216 -3.756) 5.282 2.811 ( -3.707 -0.216 3.756) 5.282 3.599 ( 2.963 -5.523 -2.913) 6.911 3.599 ( 2.963 -5.523 2.913) 6.911 4.349 ( 4.116 1.281 -9.432) 10.370 4.349 ( 4.116 1.281 9.432) 10.370 4.712 ( 6.111 4.181 -10.070) 12.499 4.712 ( 6.111 4.181 10.070) 12.499 5.076 ( 4.781 3.652 -6.415) 8.794 5.076 ( 4.781 3.652 6.415) 8.794 5.563 ( -11.115 -10.431 -9.115) 17.761 5.563 ( -11.115 -10.431 9.115) 17.761 5.899 ( -5.577 -0.106 -3.339) 6.501 5.899 ( -5.577 -0.106 3.339) 6.501 6.424 ( -1.968 1.965 -0.911) 2.926 6.424 ( -1.968 1.965 0.911) 2.926 6.805 ( -0.402 -3.720 -6.680) 7.657 6.805 ( -0.402 -3.720 6.680) 7.657 7.298 ( -6.100 -3.322 -9.531) 11.793 7.298 ( -6.100 -3.322 9.531) 11.793 7.766 ( -1.966 1.453 -6.485) 6.930 7.766 ( -1.966 1.453 6.485) 6.930 8.481 ( 5.952 -0.686 -3.637) 7.008 8.481 ( 5.952 -0.686 3.637) 7.008 9.388 ( 0.807 3.773 -9.527) 10.278 9.388 ( 0.807 3.773 9.527) 10.278 9.852 ( 7.951 -6.992 -9.911) 14.503 9.852 ( 7.951 -6.992 9.911) 14.503 10.232 ( 0.555 1.973 -7.303) 7.586 10.232 ( 0.555 1.973 7.303) 7.586 10.595 ( -2.189 -0.061 -8.086) 8.378 10.595 ( -2.189 -0.061 8.086) 8.378 11.106 ( -4.576 2.172 -5.583) 7.538 11.106 ( -4.576 2.172 5.583) 7.538 12.266 ( 7.744 -1.363 -6.448) 10.169 12.266 ( 7.744 -1.363 6.448) 10.169 12.786 ( 3.055 -6.200 -7.274) 10.034 12.786 ( 3.055 -6.200 7.274) 10.034 13.385 ( 3.525 -1.649 -10.450) 11.151 13.385 ( 3.525 -1.649 10.450) 11.151 14.211 ( -2.570 1.212 -2.799) 3.988 14.211 ( -2.570 1.212 2.799) 3.988 14.413 ( -4.571 9.972 -1.259) 11.041 14.413 ( -4.571 9.972 1.259) 11.041 14.970 ( -3.546 -1.654 -4.018) 5.609 14.970 ( -3.546 -1.654 4.018) 5.609 16.529 ( 4.902 0.497 -4.747) 6.842 16.529 ( 4.902 0.497 4.747) 6.842 16.905 ( -1.950 -2.014 -4.935) 5.676 16.905 ( -1.950 -2.014 4.935) 5.676 ======================= Grid point 285 (89/100) ======================= q-point: ( 0.38 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.538 ( 7.641 2.846 -2.911) 8.658 1.538 ( 7.641 2.846 2.911) 8.658 1.816 ( -1.669 2.799 -5.316) 6.236 1.816 ( -1.669 2.799 5.316) 6.236 2.065 ( 3.790 -1.760 -6.981) 8.136 2.065 ( 3.790 -1.760 6.981) 8.136 2.352 ( -5.348 -0.279 -4.718) 7.138 2.352 ( -5.348 -0.279 4.718) 7.138 2.502 ( -1.088 -0.549 -2.872) 3.119 2.502 ( -1.088 -0.549 2.872) 3.119 2.693 ( -7.075 2.457 -2.272) 7.827 2.693 ( -7.075 2.457 2.272) 7.827 3.770 ( 12.536 -14.486 -2.384) 19.304 3.770 ( 12.536 -14.486 2.384) 19.304 4.311 ( -7.650 -10.387 -7.370) 14.857 4.311 ( -7.650 -10.387 7.370) 14.857 4.860 ( 7.326 2.875 -12.864) 15.080 4.860 ( 7.326 2.875 12.864) 15.080 5.133 ( -2.337 -2.537 -4.964) 6.045 5.133 ( -2.337 -2.537 4.964) 6.045 5.431 ( 1.863 1.765 -8.669) 9.041 5.431 ( 1.863 1.765 8.669) 9.041 5.768 ( -7.017 1.692 -2.772) 7.732 5.768 ( -7.017 1.692 2.772) 7.732 6.417 ( 1.364 -2.430 -2.744) 3.911 6.417 ( 1.364 -2.430 2.744) 3.911 6.782 ( -1.839 -1.572 -5.781) 6.267 6.782 ( -1.839 -1.572 5.781) 6.267 7.205 ( -2.599 -5.223 -8.715) 10.488 7.205 ( -2.599 -5.223 8.715) 10.488 7.666 ( -6.076 -1.454 -9.448) 11.326 7.666 ( -6.076 -1.454 9.448) 11.326 8.637 ( 7.510 1.145 -2.577) 8.022 8.637 ( 7.510 1.145 2.577) 8.022 9.355 ( -3.035 4.118 -6.381) 8.178 9.355 ( -3.035 4.118 6.381) 8.178 10.009 ( 6.329 -5.889 -12.137) 14.901 10.009 ( 6.329 -5.889 12.137) 14.901 10.208 ( -3.131 0.406 -6.195) 6.953 10.208 ( -3.131 0.406 6.195) 6.953 10.569 ( 1.094 -7.769 -5.138) 9.378 10.569 ( 1.094 -7.769 5.138) 9.378 11.052 ( -1.779 3.954 -6.146) 7.521 11.052 ( -1.779 3.954 6.146) 7.521 12.440 ( 8.670 -3.675 -10.663) 14.226 12.440 ( 8.670 -3.675 10.663) 14.226 12.763 ( -4.738 -6.903 -15.611) 17.715 12.763 ( -4.738 -6.903 15.611) 17.715 13.541 ( 9.971 2.916 -13.285) 16.865 13.541 ( 9.971 2.916 13.285) 16.865 14.101 ( -7.168 6.417 -7.591) 12.255 14.101 ( -7.168 6.417 7.591) 12.255 14.401 ( 2.694 7.952 -2.265) 8.696 14.401 ( 2.694 7.952 2.265) 8.696 14.840 ( -7.813 1.433 -4.038) 8.910 14.840 ( -7.813 1.433 4.038) 8.910 16.644 ( 5.740 -2.493 -3.380) 7.112 16.644 ( 5.740 -2.493 3.380) 7.112 16.849 ( -3.378 -2.990 -3.915) 5.973 16.849 ( -3.378 -2.990 3.915) 5.973 ======================= Grid point 287 (90/100) ======================= q-point: (-0.50 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( -0.000 3.370 -4.356) 5.507 1.689 ( -0.000 3.370 4.356) 5.507 1.720 ( 0.000 -0.753 -2.370) 2.487 1.720 ( 0.000 -0.753 2.370) 2.487 2.175 ( -0.000 -0.033 -8.239) 8.239 2.175 ( 0.000 -0.033 8.239) 8.239 2.237 ( 0.000 0.825 -7.421) 7.467 2.237 ( 0.000 0.825 7.421) 7.467 2.525 ( -0.000 1.675 -6.074) 6.301 2.525 ( -0.000 1.675 6.074) 6.301 2.574 ( 0.000 2.739 -5.285) 5.952 2.574 ( 0.000 2.739 5.285) 5.952 4.056 ( -0.000 -15.852 -4.616) 16.510 4.056 ( -0.000 -15.852 4.616) 16.510 4.078 ( 0.000 -16.859 -4.082) 17.346 4.078 ( 0.000 -16.859 4.082) 17.346 4.987 ( -0.000 -0.224 -14.822) 14.824 4.987 ( -0.000 -0.224 14.822) 14.824 5.035 ( 0.000 -1.688 -11.113) 11.240 5.035 ( 0.000 -1.688 11.113) 11.240 5.549 ( -0.000 4.808 -5.956) 7.654 5.549 ( 0.000 4.808 5.956) 7.654 5.629 ( -0.000 4.070 -5.166) 6.577 5.629 ( 0.000 4.070 5.166) 6.577 6.446 ( 0.000 -6.592 -4.999) 8.273 6.446 ( 0.000 -6.592 4.999) 8.273 6.752 ( 0.000 2.355 -4.165) 4.785 6.752 ( 0.000 2.355 4.165) 4.785 7.183 ( 0.000 -6.765 -8.703) 11.023 7.183 ( 0.000 -6.765 8.703) 11.023 7.587 ( 0.000 -3.390 -12.546) 12.996 7.587 ( 0.000 -3.390 12.546) 12.996 8.730 ( 0.000 2.033 -4.597) 5.026 8.730 ( 0.000 2.033 4.597) 5.026 9.311 ( 0.000 4.130 -9.312) 10.187 9.311 ( 0.000 4.130 9.312) 10.187 10.120 ( 0.000 -0.615 -11.903) 11.919 10.120 ( -0.000 -0.615 11.903) 11.919 10.121 ( 0.000 -4.035 -20.045) 20.447 10.121 ( -0.000 -4.035 20.045) 20.447 10.601 ( 0.000 -12.050 -8.578) 14.791 10.601 ( 0.000 -12.050 8.578) 14.791 11.026 ( 0.000 5.348 -7.274) 9.029 11.026 ( 0.000 5.348 7.274) 9.029 12.605 ( 0.000 -8.287 -18.236) 20.031 12.605 ( -0.000 -8.287 18.236) 20.031 12.636 ( -0.000 -3.004 -11.460) 11.848 12.636 ( 0.000 -3.004 11.460) 11.848 13.690 ( 0.000 3.201 -10.765) 11.231 13.690 ( 0.000 3.201 10.765) 11.231 13.989 ( 0.000 10.682 -13.262) 17.029 13.989 ( -0.000 10.682 13.262) 17.029 14.457 ( 0.000 4.577 -2.943) 5.441 14.457 ( 0.000 4.577 2.943) 5.441 14.726 ( -0.000 3.718 -4.505) 5.840 14.726 ( 0.000 3.718 4.505) 5.840 16.745 ( 0.000 -3.451 -2.755) 4.416 16.745 ( 0.000 -3.451 2.755) 4.416 16.775 ( -0.000 -3.360 -4.042) 5.256 16.775 ( -0.000 -3.360 4.042) 5.256 ======================= Grid point 297 (91/100) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.439 ( 0.000 5.416 -9.038) 10.536 1.439 ( 0.000 5.416 9.038) 10.536 1.804 ( 0.000 8.253 -11.861) 14.449 1.804 ( 0.000 8.253 11.861) 14.449 2.070 ( 0.000 -0.925 -3.022) 3.160 2.070 ( 0.000 -0.925 3.022) 3.160 2.338 ( 0.000 -8.343 -2.510) 8.713 2.338 ( 0.000 -8.343 2.510) 8.713 2.451 ( 0.000 -8.360 -1.896) 8.573 2.451 ( 0.000 -8.360 1.896) 8.573 2.778 ( 0.000 -6.926 -0.306) 6.933 2.778 ( 0.000 -6.926 0.306) 6.933 3.939 ( 0.000 11.730 -10.064) 15.455 3.939 ( 0.000 11.730 10.064) 15.455 4.324 ( 0.000 14.183 -3.571) 14.626 4.324 ( 0.000 14.183 3.571) 14.626 4.680 ( 0.000 5.363 -6.114) 8.133 4.680 ( 0.000 5.363 6.114) 8.133 5.047 ( 0.000 3.941 -2.621) 4.733 5.047 ( 0.000 3.941 2.621) 4.733 5.583 ( 0.000 -17.400 -1.300) 17.449 5.583 ( 0.000 -17.400 1.300) 17.449 5.875 ( 0.000 -10.219 -3.090) 10.676 5.875 ( 0.000 -10.219 3.090) 10.676 6.438 ( 0.000 -3.966 -0.121) 3.968 6.438 ( 0.000 -3.966 0.121) 3.968 6.816 ( 0.000 -5.042 -2.150) 5.481 6.816 ( 0.000 -5.042 2.150) 5.481 7.537 ( 0.000 1.191 -4.740) 4.888 7.537 ( 0.000 1.191 4.740) 4.888 7.707 ( 0.000 1.729 -7.638) 7.831 7.707 ( 0.000 1.729 7.638) 7.831 8.515 ( 0.000 5.851 -3.432) 6.783 8.515 ( 0.000 5.851 3.432) 6.783 9.245 ( 0.000 3.510 -7.634) 8.402 9.245 ( 0.000 3.510 7.634) 8.402 9.705 ( 0.000 1.357 -9.614) 9.710 9.705 ( 0.000 1.357 9.614) 9.710 10.298 ( 0.000 6.625 -3.561) 7.521 10.298 ( 0.000 6.625 3.561) 7.521 10.662 ( 0.000 3.962 -6.455) 7.574 10.662 ( 0.000 3.962 6.455) 7.574 11.400 ( 0.000 -2.209 -4.682) 5.177 11.400 ( 0.000 -2.209 4.682) 5.177 12.064 ( 0.000 0.696 -6.611) 6.648 12.064 ( 0.000 0.696 6.611) 6.648 12.491 ( 0.000 -3.011 -5.022) 5.855 12.491 ( 0.000 -3.011 5.022) 5.855 13.340 ( 0.000 -1.906 -2.436) 3.093 13.340 ( 0.000 -1.906 2.436) 3.093 14.188 ( 0.000 -4.674 -0.283) 4.682 14.188 ( 0.000 -4.674 0.283) 4.682 14.636 ( 0.000 -5.541 -0.696) 5.585 14.636 ( 0.000 -5.541 0.696) 5.585 14.902 ( 0.000 5.719 -4.010) 6.984 14.902 ( 0.000 5.719 4.010) 6.984 16.528 ( 0.000 3.565 -2.086) 4.130 16.528 ( 0.000 3.565 2.086) 4.130 16.924 ( 0.000 -1.054 -4.247) 4.376 16.924 ( 0.000 -1.054 4.247) 4.376 ======================= Grid point 299 (92/100) ======================= q-point: ( 0.12 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( 1.864 5.974 -7.746) 9.958 1.459 ( 1.864 5.974 7.746) 9.958 1.828 ( 2.392 7.890 -10.851) 13.628 1.828 ( 2.392 7.890 10.851) 13.628 2.040 ( -2.463 -1.359 -3.324) 4.355 2.040 ( -2.463 -1.359 3.324) 4.355 2.358 ( 1.319 -7.786 -2.417) 8.259 2.358 ( 1.319 -7.786 2.417) 8.259 2.453 ( 0.359 -7.121 -5.092) 8.762 2.453 ( 0.359 -7.121 5.092) 8.762 2.765 ( -1.073 -6.893 -2.229) 7.323 2.765 ( -1.073 -6.893 2.229) 7.323 3.805 ( -10.160 11.478 -4.547) 15.989 3.805 ( -10.160 11.478 4.547) 15.989 4.355 ( 0.074 5.041 -5.248) 7.277 4.355 ( 0.074 5.041 5.248) 7.277 4.727 ( 4.783 8.111 -3.953) 10.212 4.727 ( 4.783 8.111 3.953) 10.212 5.073 ( 1.882 3.135 -5.574) 6.667 5.073 ( 1.882 3.135 5.574) 6.667 5.497 ( -6.327 -14.996 -6.170) 17.407 5.497 ( -6.327 -14.996 6.170) 17.407 5.884 ( 0.209 -8.032 -2.144) 8.316 5.884 ( 0.209 -8.032 2.144) 8.316 6.461 ( 1.137 -2.662 -0.635) 2.964 6.461 ( 1.137 -2.662 0.635) 2.964 6.767 ( -3.615 -4.361 -4.073) 6.977 6.767 ( -3.615 -4.361 4.073) 6.977 7.454 ( -7.155 2.649 -6.987) 10.346 7.454 ( -7.155 2.649 6.987) 10.346 7.747 ( 2.081 -0.639 -9.027) 9.286 7.747 ( 2.081 -0.639 9.027) 9.286 8.485 ( -0.977 5.700 -3.874) 6.961 8.485 ( -0.977 5.700 3.874) 6.961 9.326 ( 6.467 2.034 -7.414) 10.047 9.326 ( 6.467 2.034 7.414) 10.047 9.697 ( -0.592 -1.120 -9.911) 9.991 9.697 ( -0.592 -1.120 9.911) 9.991 10.289 ( -0.715 4.191 -4.885) 6.476 10.289 ( -0.715 4.191 4.885) 6.476 10.679 ( 0.012 3.724 -6.568) 7.551 10.679 ( 0.012 3.724 6.568) 7.551 11.260 ( -9.493 -1.916 -5.460) 11.117 11.260 ( -9.493 -1.916 5.460) 11.117 12.151 ( 6.135 1.612 -4.726) 7.911 12.151 ( 6.135 1.612 4.726) 7.911 12.565 ( 6.183 -3.148 -3.061) 7.583 12.565 ( 6.183 -3.148 3.061) 7.583 13.326 ( -0.442 -1.670 -7.539) 7.735 13.326 ( -0.442 -1.670 7.539) 7.735 14.204 ( 1.121 -2.909 -3.096) 4.394 14.204 ( 1.121 -2.909 3.096) 4.394 14.605 ( -2.129 -0.836 -3.013) 3.783 14.605 ( -2.129 -0.836 3.013) 3.783 14.935 ( 1.858 1.792 -5.223) 5.826 14.935 ( 1.858 1.792 5.223) 5.826 16.527 ( 0.058 2.892 -2.763) 4.000 16.527 ( 0.058 2.892 2.763) 4.000 16.907 ( -1.578 -1.427 -4.303) 4.800 16.907 ( -1.578 -1.427 4.303) 4.800 ======================= Grid point 301 (93/100) ======================= q-point: ( 0.25 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.519 ( 3.939 6.536 -4.087) 8.657 1.519 ( 3.939 6.536 4.087) 8.657 1.897 ( 3.022 5.571 -8.386) 10.511 1.897 ( 3.022 5.571 8.386) 10.511 1.989 ( -1.235 -0.454 -3.569) 3.803 1.989 ( -1.235 -0.454 3.569) 3.803 2.363 ( -1.085 -6.172 -3.642) 7.248 2.363 ( -1.085 -6.172 3.642) 7.248 2.471 ( 1.017 -3.605 -5.521) 6.672 2.471 ( 1.017 -3.605 5.521) 6.672 2.745 ( -0.667 -6.292 -2.740) 6.895 2.745 ( -0.667 -6.292 2.740) 6.895 3.600 ( -7.732 5.601 -0.647) 9.570 3.600 ( -7.732 5.601 0.647) 9.570 4.281 ( -7.397 -7.689 -8.225) 13.472 4.281 ( -7.397 -7.689 8.225) 13.472 4.835 ( 4.318 6.145 -10.485) 12.898 4.835 ( 4.318 6.145 10.485) 12.898 5.103 ( 0.501 -0.380 -6.423) 6.454 5.103 ( 0.501 -0.380 6.423) 6.454 5.412 ( 0.047 -3.657 -10.105) 10.746 5.412 ( 0.047 -3.657 10.105) 10.746 5.863 ( -2.372 -3.630 -0.854) 4.419 5.863 ( -2.372 -3.630 0.854) 4.419 6.438 ( -3.574 -0.777 -2.076) 4.206 6.438 ( -3.574 -0.777 2.076) 4.206 6.720 ( -0.065 -3.141 -6.699) 7.400 6.720 ( -0.065 -3.141 6.699) 7.400 7.276 ( -8.669 0.548 -7.650) 11.575 7.276 ( -8.669 0.548 7.650) 11.575 7.729 ( -4.555 -4.636 -7.167) 9.675 7.729 ( -4.555 -4.636 7.167) 9.675 8.538 ( 6.120 5.343 -4.172) 9.133 8.538 ( 6.120 5.343 4.172) 9.133 9.420 ( 0.079 -0.757 -6.253) 6.299 9.420 ( 0.079 -0.757 6.253) 6.299 9.739 ( 6.546 -3.051 -6.188) 9.510 9.739 ( 6.546 -3.051 6.188) 9.510 10.275 ( -0.583 1.295 -6.539) 6.691 10.275 ( -0.583 1.295 6.539) 6.691 10.592 ( -7.969 -0.154 -7.609) 11.019 10.592 ( -7.969 -0.154 7.609) 11.019 11.134 ( -2.183 0.883 -5.410) 5.901 11.134 ( -2.183 0.883 5.410) 5.901 12.281 ( 6.321 1.835 -6.858) 9.506 12.281 ( 6.321 1.835 6.858) 9.506 12.673 ( 2.408 -3.734 -15.389) 16.017 12.673 ( 2.408 -3.734 15.389) 16.017 13.383 ( 6.976 0.327 -10.409) 12.534 13.383 ( 6.976 0.327 10.409) 12.534 14.216 ( -0.146 0.071 -3.528) 3.531 14.216 ( -0.146 0.071 3.528) 3.531 14.570 ( -1.128 4.877 -2.856) 5.763 14.570 ( -1.128 4.877 2.856) 5.763 14.933 ( -2.545 -1.365 -5.575) 6.278 14.933 ( -2.545 -1.365 5.575) 6.278 16.543 ( 1.703 0.830 -3.403) 3.894 16.543 ( 1.703 0.830 3.403) 3.894 16.860 ( -2.953 -2.340 -4.157) 5.611 16.860 ( -2.953 -2.340 4.157) 5.611 ======================= Grid point 303 (94/100) ======================= q-point: ( 0.38 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.620 ( 5.387 4.438 -1.572) 7.154 1.620 ( 5.387 4.438 1.572) 7.154 1.873 ( -3.861 3.892 -4.604) 7.158 1.873 ( -3.861 3.892 4.604) 7.158 2.058 ( 6.072 0.726 -6.105) 8.641 2.058 ( 6.072 0.726 6.105) 8.641 2.316 ( -3.436 -3.171 -5.470) 7.196 2.316 ( -3.436 -3.171 5.470) 7.196 2.498 ( 2.415 0.283 -3.871) 4.571 2.498 ( 2.415 0.283 3.871) 4.571 2.709 ( -3.776 -1.514 -4.878) 6.352 2.709 ( -3.776 -1.514 4.878) 6.352 3.549 ( 3.842 -6.498 -1.408) 7.679 3.549 ( 3.842 -6.498 1.408) 7.679 4.046 ( -14.144 -15.511 -4.769) 21.527 4.046 ( -14.144 -15.511 4.769) 21.527 4.918 ( 4.101 2.056 -11.696) 12.563 4.918 ( 4.101 2.056 11.696) 12.563 5.076 ( -2.779 -1.580 -10.310) 10.795 5.076 ( -2.779 -1.580 10.310) 10.795 5.503 ( 7.017 4.104 -6.116) 10.173 5.503 ( 7.017 4.104 6.116) 10.173 5.788 ( -4.598 0.100 -1.597) 4.868 5.788 ( -4.598 0.100 1.597) 4.868 6.349 ( -3.738 -3.512 -4.432) 6.779 6.349 ( -3.738 -3.512 4.432) 6.779 6.753 ( 2.499 -0.807 -5.091) 5.729 6.753 ( 2.499 -0.807 5.091) 5.729 7.123 ( -5.630 -3.705 -6.849) 9.609 7.123 ( -5.630 -3.705 6.849) 9.609 7.578 ( -8.130 -6.444 -9.664) 14.178 7.578 ( -8.130 -6.444 9.664) 14.178 8.700 ( 7.858 4.245 -5.409) 10.441 8.700 ( 7.858 4.245 5.409) 10.441 9.357 ( -4.206 -2.891 -5.731) 7.675 9.357 ( -4.206 -2.891 5.731) 7.675 9.931 ( 9.810 -1.353 -9.318) 13.597 9.931 ( 9.810 -1.353 9.318) 13.597 10.247 ( -3.371 2.119 -2.444) 4.672 10.247 ( -3.371 2.119 2.444) 4.672 10.434 ( -4.815 -5.068 -7.704) 10.403 10.434 ( -4.815 -5.068 7.704) 10.403 11.114 ( -0.629 1.846 -5.884) 6.199 11.114 ( -0.629 1.846 5.884) 6.199 12.413 ( 6.064 0.636 -12.121) 13.568 12.413 ( 6.064 0.636 12.121) 13.568 12.658 ( -2.928 -3.163 -17.979) 18.488 12.658 ( -2.928 -3.163 17.979) 18.488 13.589 ( 10.645 1.453 -9.115) 14.090 13.589 ( 10.645 1.453 9.115) 14.090 14.199 ( -1.301 4.007 -4.941) 6.494 14.199 ( -1.301 4.007 4.941) 6.494 14.556 ( -0.293 6.756 -2.877) 7.349 14.556 ( -0.293 6.756 2.877) 7.349 14.836 ( -5.763 -1.418 -6.014) 8.449 14.836 ( -5.763 -1.418 6.014) 8.449 16.601 ( 3.749 -1.685 -2.861) 5.008 16.601 ( 3.749 -1.685 2.861) 5.008 16.785 ( -4.054 -3.201 -3.470) 6.223 16.785 ( -4.054 -3.201 3.470) 6.223 ======================= Grid point 305 (95/100) ======================= q-point: (-0.50 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.707 ( -0.000 -0.319 -2.771) 2.790 1.707 ( -0.000 -0.319 2.771) 2.790 1.801 ( 0.000 7.834 -5.932) 9.827 1.801 ( 0.000 7.834 5.932) 9.827 2.163 ( -0.000 -1.222 -7.216) 7.319 2.163 ( 0.000 -1.222 7.216) 7.319 2.243 ( 0.000 -0.767 -6.793) 6.836 2.243 ( 0.000 -0.767 6.793) 6.836 2.572 ( -0.000 2.988 -6.068) 6.764 2.572 ( 0.000 2.988 6.068) 6.764 2.613 ( 0.000 1.046 -7.439) 7.512 2.613 ( 0.000 1.046 7.439) 7.512 3.738 ( -0.000 -15.119 -2.933) 15.401 3.738 ( -0.000 -15.119 2.933) 15.401 3.749 ( 0.000 -15.256 -2.753) 15.503 3.749 ( 0.000 -15.256 2.753) 15.503 4.999 ( 0.000 -1.839 -11.284) 11.433 4.999 ( 0.000 -1.839 11.284) 11.433 5.009 ( -0.000 2.042 -16.480) 16.606 5.009 ( 0.000 2.042 16.480) 16.606 5.628 ( -0.000 3.069 -8.452) 8.992 5.628 ( 0.000 3.069 8.452) 8.992 5.694 ( -0.000 2.426 -6.389) 6.834 5.694 ( 0.000 2.426 6.389) 6.834 6.308 ( 0.000 -6.462 -5.926) 8.769 6.308 ( 0.000 -6.462 5.927) 8.769 6.789 ( 0.000 1.225 -2.304) 2.610 6.789 ( 0.000 1.225 2.304) 2.610 7.058 ( 0.000 -5.846 -9.517) 11.170 7.058 ( 0.000 -5.846 9.517) 11.170 7.476 ( 0.000 -6.466 -12.133) 13.749 7.476 ( 0.000 -6.466 12.133) 13.749 8.797 ( 0.000 3.947 -6.393) 7.513 8.797 ( 0.000 3.947 6.393) 7.513 9.302 ( -0.000 -3.539 -6.192) 7.132 9.302 ( 0.000 -3.539 6.192) 7.132 10.113 ( 0.000 2.364 -11.394) 11.636 10.113 ( 0.000 2.364 11.394) 11.636 10.122 ( -0.000 0.439 -9.184) 9.195 10.122 ( -0.000 0.439 9.184) 9.195 10.401 ( 0.000 -7.501 -7.618) 10.691 10.401 ( 0.000 -7.501 7.618) 10.691 11.105 ( 0.000 2.123 -6.646) 6.977 11.105 ( 0.000 2.123 6.646) 6.977 12.501 ( -0.000 -1.934 -21.558) 21.644 12.501 ( -0.000 -1.934 21.558) 21.644 12.602 ( 0.000 -0.706 -15.501) 15.517 12.602 ( 0.000 -0.706 15.501) 15.517 13.724 ( 0.000 0.398 -8.156) 8.165 13.724 ( 0.000 0.398 8.156) 8.165 14.178 ( 0.000 8.139 -10.347) 13.164 14.178 ( 0.000 8.139 10.347) 13.164 14.556 ( 0.000 4.826 -4.081) 6.320 14.556 ( 0.000 4.826 4.081) 6.320 14.758 ( 0.000 -0.145 -6.088) 6.089 14.758 ( 0.000 -0.145 6.088) 6.089 16.680 ( 0.000 -2.882 -3.536) 4.561 16.680 ( 0.000 -2.882 3.536) 4.561 16.704 ( -0.000 -3.441 -4.409) 5.593 16.704 ( -0.000 -3.441 4.409) 5.593 ======================= Grid point 315 (96/100) ======================= q-point: ( 0.00 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.506 ( 0.000 0.708 -2.983) 3.065 1.506 ( 0.000 0.708 2.983) 3.065 1.920 ( 0.000 4.277 -4.662) 6.326 1.920 ( 0.000 4.277 4.662) 6.326 2.111 ( 0.000 2.966 -0.717) 3.051 2.111 ( 0.000 2.966 0.717) 3.051 2.231 ( 0.000 -2.796 -0.783) 2.904 2.231 ( 0.000 -2.796 0.783) 2.904 2.297 ( 0.000 -5.052 -1.186) 5.190 2.297 ( 0.000 -5.052 1.186) 5.190 2.639 ( 0.000 -5.519 -1.121) 5.632 2.639 ( 0.000 -5.519 1.121) 5.632 4.109 ( 0.000 4.586 -4.236) 6.243 4.109 ( 0.000 4.586 4.236) 6.243 4.587 ( 0.000 10.041 -2.717) 10.402 4.587 ( 0.000 10.041 2.717) 10.402 4.789 ( 0.000 4.706 -2.799) 5.475 4.789 ( 0.000 4.706 2.799) 5.475 5.103 ( 0.000 0.165 -0.828) 0.844 5.103 ( 0.000 0.165 0.828) 0.844 5.277 ( 0.000 -9.894 -0.064) 9.894 5.277 ( 0.000 -9.894 0.064) 9.894 5.682 ( 0.000 -7.238 -2.380) 7.619 5.682 ( 0.000 -7.238 2.380) 7.619 6.372 ( 0.000 -2.039 -0.310) 2.062 6.372 ( 0.000 -2.039 0.310) 2.062 6.715 ( 0.000 -3.397 -0.280) 3.408 6.715 ( 0.000 -3.397 0.280) 3.408 7.559 ( 0.000 0.649 -2.240) 2.332 7.559 ( 0.000 0.649 2.240) 2.332 7.731 ( 0.000 0.682 -3.258) 3.329 7.731 ( 0.000 0.682 3.258) 3.329 8.599 ( 0.000 2.265 -0.719) 2.376 8.599 ( 0.000 2.265 0.719) 2.376 9.368 ( 0.000 6.185 -6.501) 8.973 9.368 ( 0.000 6.185 6.501) 8.973 9.675 ( 0.000 -3.145 -8.398) 8.968 9.675 ( 0.000 -3.145 8.398) 8.968 10.413 ( 0.000 3.711 -0.085) 3.712 10.413 ( 0.000 3.711 0.085) 3.712 10.725 ( 0.000 1.928 -2.377) 3.060 10.725 ( 0.000 1.928 2.377) 3.060 11.352 ( 0.000 -1.616 -3.088) 3.485 11.352 ( 0.000 -1.616 3.088) 3.485 12.046 ( 0.000 -1.552 -4.046) 4.333 12.046 ( 0.000 -1.552 4.046) 4.333 12.491 ( 0.000 1.435 -0.877) 1.682 12.491 ( 0.000 1.435 0.877) 1.682 13.307 ( 0.000 -1.207 -0.388) 1.268 13.307 ( 0.000 -1.207 0.388) 1.268 14.110 ( 0.000 -2.387 -0.161) 2.393 14.110 ( 0.000 -2.387 0.161) 2.393 14.560 ( 0.000 -1.996 -0.132) 2.000 14.560 ( 0.000 -1.996 0.132) 2.000 14.989 ( 0.000 2.486 -1.626) 2.970 14.989 ( 0.000 2.486 1.626) 2.970 16.573 ( 0.000 1.050 -0.448) 1.142 16.573 ( 0.000 1.050 0.448) 1.142 16.907 ( 0.000 -0.512 -1.645) 1.723 16.907 ( 0.000 -0.512 1.645) 1.723 ======================= Grid point 317 (97/100) ======================= q-point: ( 0.12 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( 2.845 1.239 -2.616) 4.059 1.537 ( 2.845 1.239 2.616) 4.059 1.931 ( 0.734 3.686 -4.240) 5.666 1.931 ( 0.734 3.686 4.240) 5.666 2.088 ( -1.289 3.432 -3.607) 5.142 2.088 ( -1.289 3.432 3.607) 5.142 2.235 ( -0.038 -4.377 -4.263) 6.110 2.235 ( -0.038 -4.377 4.264) 6.110 2.338 ( 3.743 -2.897 -3.086) 5.650 2.338 ( 3.743 -2.897 3.086) 5.650 2.625 ( -1.196 -5.623 -1.670) 5.987 2.625 ( -1.196 -5.623 1.670) 5.987 4.017 ( -8.559 7.774 -4.156) 12.287 4.017 ( -8.559 7.774 4.156) 12.287 4.388 ( -13.894 -0.711 -6.097) 15.189 4.388 ( -13.894 -0.711 6.097) 15.189 4.872 ( 3.075 4.376 -3.007) 6.135 4.872 ( 3.075 4.376 3.007) 6.135 5.130 ( 0.740 2.831 -5.728) 6.432 5.130 ( 0.740 2.831 5.728) 6.432 5.266 ( 2.205 -6.937 -8.095) 10.886 5.266 ( 2.205 -6.937 8.095) 10.886 5.726 ( 3.294 -6.010 -1.967) 7.130 5.726 ( 3.294 -6.010 1.967) 7.130 6.403 ( 1.947 -2.115 -0.889) 3.009 6.403 ( 1.947 -2.115 0.889) 3.009 6.695 ( -1.093 -2.090 -4.059) 4.695 6.695 ( -1.093 -2.090 4.059) 4.695 7.511 ( -5.114 2.173 -4.789) 7.335 7.511 ( -5.114 2.173 4.789) 7.335 7.721 ( -2.385 -1.290 -10.953) 11.284 7.721 ( -2.385 -1.290 10.953) 11.284 8.588 ( 0.098 3.410 -2.641) 4.315 8.588 ( 0.098 3.410 2.641) 4.315 9.388 ( 1.122 2.922 -5.682) 6.487 9.388 ( 1.122 2.922 5.682) 6.487 9.655 ( -0.345 -2.275 -6.594) 6.984 9.655 ( -0.345 -2.275 6.594) 6.984 10.350 ( -4.432 1.644 -3.877) 6.113 10.350 ( -4.432 1.644 3.877) 6.113 10.733 ( -1.806 1.502 -2.796) 3.652 10.733 ( -1.806 1.502 2.796) 3.652 11.230 ( -7.488 -0.761 -2.981) 8.095 11.230 ( -7.488 -0.761 2.981) 8.095 12.148 ( 7.268 -1.049 -5.876) 9.405 12.148 ( 7.268 -1.049 5.876) 9.405 12.564 ( 5.837 1.494 -3.972) 7.216 12.564 ( 5.837 1.494 3.972) 7.216 13.296 ( 0.262 -1.067 -9.196) 9.262 13.296 ( 0.262 -1.067 9.196) 9.262 14.156 ( 3.566 -1.439 -5.181) 6.452 14.156 ( 3.566 -1.439 5.181) 6.452 14.570 ( 1.029 -1.511 -1.145) 2.157 14.570 ( 1.029 -1.511 1.145) 2.157 14.983 ( -0.996 1.789 -2.125) 2.951 14.983 ( -0.996 1.789 2.125) 2.951 16.565 ( -0.629 0.939 -1.937) 2.242 16.565 ( -0.629 0.939 1.937) 2.242 16.885 ( -2.101 -0.682 -2.115) 3.058 16.885 ( -2.101 -0.682 2.115) 3.058 ======================= Grid point 319 (98/100) ======================= q-point: ( 0.25 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( 4.034 2.257 -1.803) 4.962 1.614 ( 4.034 2.257 1.803) 4.962 1.938 ( 0.078 1.587 -3.137) 3.516 1.938 ( 0.078 1.587 3.137) 3.516 2.082 ( 0.601 5.401 -5.295) 7.587 2.082 ( 0.601 5.401 5.295) 7.587 2.233 ( 0.194 -5.878 -5.532) 8.074 2.233 ( 0.194 -5.878 5.532) 8.074 2.438 ( 5.059 0.867 -3.532) 6.231 2.438 ( 5.059 0.867 3.532) 6.231 2.602 ( -0.337 -6.646 -3.267) 7.413 2.602 ( -0.337 -6.646 3.267) 7.413 3.779 ( -12.918 10.987 -2.223) 17.103 3.779 ( -12.918 10.987 2.223) 17.103 4.073 ( -15.873 -11.966 -5.003) 20.498 4.073 ( -15.873 -11.966 5.003) 20.498 4.894 ( 0.559 0.396 -5.653) 5.695 4.894 ( 0.559 0.396 5.653) 5.695 5.118 ( -1.292 1.638 -10.096) 10.310 5.118 ( -1.292 1.638 10.096) 10.310 5.397 ( 8.462 0.702 -9.184) 12.507 5.397 ( 8.462 0.702 9.184) 12.507 5.782 ( 1.408 -3.236 -1.958) 4.036 5.782 ( 1.408 -3.236 1.958) 4.036 6.409 ( -2.144 -1.277 -3.396) 4.215 6.409 ( -2.144 -1.277 3.396) 4.215 6.698 ( 1.491 0.012 -6.415) 6.586 6.698 ( 1.491 0.012 6.415) 6.586 7.305 ( -13.472 1.745 -3.557) 14.042 7.305 ( -13.472 1.745 3.557) 14.042 7.625 ( -6.519 -4.271 -9.314) 12.145 7.625 ( -6.519 -4.271 9.314) 12.145 8.641 ( 4.972 3.682 -4.354) 7.565 8.641 ( 4.972 3.682 4.354) 7.565 9.372 ( -2.776 -2.560 -3.826) 5.376 9.372 ( -2.776 -2.560 3.826) 5.376 9.731 ( 7.808 0.865 -4.456) 9.031 9.731 ( 7.808 0.865 4.456) 9.031 10.277 ( -2.025 -0.468 -6.445) 6.772 10.277 ( -2.025 -0.468 6.445) 6.772 10.595 ( -9.999 0.262 -3.693) 10.663 10.595 ( -9.999 0.262 3.693) 10.663 11.145 ( -1.259 0.266 -4.192) 4.385 11.145 ( -1.259 0.266 4.192) 4.385 12.300 ( 7.035 0.118 -7.098) 9.994 12.300 ( 7.035 0.118 7.098) 9.994 12.654 ( 1.378 0.676 -9.829) 9.948 12.654 ( 1.378 0.676 9.829) 9.948 13.382 ( 8.439 -0.296 -8.266) 11.817 13.382 ( 8.439 -0.296 8.266) 11.817 14.221 ( 2.247 0.277 -5.553) 5.997 14.221 ( 2.247 0.277 5.553) 5.997 14.607 ( 2.321 -0.027 -2.057) 3.102 14.607 ( 2.321 -0.027 2.057) 3.102 14.929 ( -4.446 0.414 -2.787) 5.263 14.929 ( -4.446 0.414 2.787) 5.263 16.557 ( 0.159 0.443 -2.773) 2.813 16.557 ( 0.159 0.443 2.773) 2.813 16.823 ( -3.697 -1.109 -2.483) 4.590 16.823 ( -3.697 -1.109 2.483) 4.590 ======================= Grid point 321 (99/100) ======================= q-point: ( 0.38 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.684 ( 2.295 1.820 -2.694) 3.980 1.684 ( 2.295 1.820 2.694) 3.980 1.955 ( 1.617 2.606 -5.034) 5.895 1.955 ( 1.617 2.606 5.034) 5.895 2.100 ( 1.320 4.175 -5.927) 7.369 2.100 ( 1.320 4.175 5.927) 7.369 2.230 ( -1.494 -5.311 -5.710) 7.939 2.230 ( -1.494 -5.311 5.710) 7.939 2.526 ( 4.146 2.637 -5.679) 7.510 2.526 ( 4.146 2.637 5.679) 7.510 2.635 ( 2.313 -4.804 -6.061) 8.072 2.635 ( 2.313 -4.804 6.061) 8.072 3.543 ( -7.735 5.632 -1.498) 9.685 3.543 ( -7.735 5.632 1.498) 9.685 3.746 ( -14.419 -13.737 -2.792) 20.110 3.746 ( -14.419 -13.737 2.792) 20.110 4.930 ( 2.626 -0.200 -7.507) 7.956 4.930 ( 2.626 -0.200 7.507) 7.956 5.079 ( -2.226 0.875 -13.482) 13.693 5.079 ( -2.226 0.875 13.482) 13.693 5.568 ( 7.088 2.069 -9.081) 11.704 5.568 ( 7.088 2.069 9.081) 11.704 5.773 ( -2.153 -1.086 -3.161) 3.976 5.773 ( -2.153 -1.086 3.161) 3.976 6.307 ( -6.469 -0.737 -4.832) 8.108 6.307 ( -6.469 -0.737 4.832) 8.108 6.752 ( 3.296 0.384 -5.705) 6.600 6.752 ( 3.296 0.384 5.705) 6.600 7.056 ( -8.533 -2.491 -3.780) 9.660 7.056 ( -8.533 -2.491 3.780) 9.660 7.467 ( -7.281 -3.514 -11.149) 13.772 7.467 ( -7.281 -3.514 11.149) 13.772 8.772 ( 6.576 2.360 -5.670) 8.998 8.772 ( 6.576 2.360 5.670) 8.998 9.293 ( -4.168 -2.382 -3.113) 5.722 9.293 ( -4.168 -2.382 3.113) 5.722 9.936 ( 10.511 0.841 -4.697) 11.544 9.936 ( 10.511 0.841 4.697) 11.544 10.259 ( -0.677 -0.478 -7.999) 8.042 10.259 ( -0.677 -0.478 7.999) 8.042 10.385 ( -8.774 -0.491 -5.262) 10.243 10.385 ( -8.774 -0.491 5.262) 10.243 11.129 ( -0.709 0.087 -6.099) 6.141 11.129 ( -0.709 0.087 6.099) 6.141 12.434 ( 5.355 0.751 -6.481) 8.441 12.434 ( 5.355 0.751 6.481) 8.441 12.634 ( -2.266 0.022 -8.599) 8.892 12.634 ( -2.266 0.022 8.599) 8.892 13.599 ( 10.120 -0.069 -5.240) 11.396 13.599 ( 10.120 -0.069 5.240) 11.396 14.260 ( 1.965 1.839 -5.406) 6.039 14.260 ( 1.965 1.839 5.406) 6.039 14.645 ( 0.527 2.121 -3.079) 3.776 14.645 ( 0.527 2.121 3.079) 3.776 14.807 ( -6.073 -0.969 -4.183) 7.438 14.807 ( -6.073 -0.969 4.183) 7.438 16.580 ( 2.171 -0.483 -1.985) 2.981 16.580 ( 2.171 -0.483 1.985) 2.981 16.736 ( -4.407 -1.472 -1.896) 5.019 16.736 ( -4.407 -1.472 1.896) 5.019 ======================= Grid point 323 (100/100) ======================= q-point: (-0.50 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.707 ( 0.000 0.147 -3.140) 3.143 1.707 ( 0.000 0.147 3.140) 3.143 1.978 ( 0.000 8.982 -6.738) 11.228 1.978 ( 0.000 8.982 6.738) 11.228 2.138 ( -0.000 -0.922 -5.173) 5.254 2.138 ( 0.000 -0.922 5.173) 5.254 2.182 ( 0.000 -5.331 -6.756) 8.606 2.182 ( 0.000 -5.331 6.756) 8.606 2.619 ( -0.000 -0.102 -9.597) 9.597 2.619 ( 0.000 -0.102 9.597) 9.597 2.627 ( -0.000 1.896 -6.671) 6.936 2.627 ( -0.000 1.896 6.671) 6.936 3.515 ( 0.000 -6.275 -1.603) 6.477 3.515 ( -0.000 -6.275 1.603) 6.477 3.523 ( -0.000 -6.512 -2.621) 7.020 3.523 ( 0.000 -6.512 2.621) 7.020 4.971 ( 0.000 -0.836 -10.998) 11.030 4.971 ( 0.000 -0.836 10.998) 11.030 5.046 ( 0.000 1.181 -17.427) 17.467 5.046 ( 0.000 1.181 17.427) 17.467 5.667 ( -0.000 0.935 -11.183) 11.222 5.667 ( 0.000 0.935 11.183) 11.222 5.721 ( 0.000 0.481 -4.732) 4.757 5.721 ( 0.000 0.481 4.732) 4.757 6.222 ( 0.000 -2.025 -5.818) 6.160 6.222 ( 0.000 -2.025 5.818) 6.160 6.797 ( 0.000 -0.124 -1.310) 1.316 6.797 ( 0.000 -0.124 1.310) 1.316 6.966 ( 0.000 -2.791 -10.644) 11.004 6.966 ( 0.000 -2.791 10.644) 11.004 7.381 ( 0.000 -2.597 -13.104) 13.359 7.381 ( 0.000 -2.597 13.104) 13.359 8.857 ( 0.000 1.678 -6.555) 6.766 8.857 ( 0.000 1.678 6.555) 6.766 9.237 ( -0.000 -2.063 -2.855) 3.522 9.237 ( 0.000 -2.063 2.855) 3.522 10.128 ( 0.000 0.184 -10.089) 10.091 10.128 ( 0.000 0.184 10.089) 10.091 10.162 ( -0.000 1.662 -5.537) 5.781 10.162 ( 0.000 1.662 5.537) 5.781 10.309 ( 0.000 -2.094 -3.170) 3.799 10.309 ( 0.000 -2.094 3.170) 3.799 11.119 ( 0.000 -0.058 -6.859) 6.859 11.119 ( 0.000 -0.058 6.859) 6.859 12.501 ( 0.000 0.755 -22.332) 22.345 12.501 ( 0.000 0.755 22.332) 22.345 12.598 ( 0.000 0.051 -18.100) 18.100 12.598 ( 0.000 0.051 18.100) 18.100 13.719 ( 0.000 -0.452 -5.239) 5.259 13.719 ( 0.000 -0.452 5.239) 5.259 14.294 ( 0.000 3.186 -7.673) 8.308 14.294 ( 0.000 3.186 7.673) 8.308 14.626 ( 0.000 2.000 -3.963) 4.440 14.626 ( 0.000 2.000 3.963) 4.440 14.742 ( 0.000 -0.838 -4.886) 4.957 14.742 ( 0.000 -0.838 4.886) 4.957 16.639 ( 0.000 -1.107 -4.185) 4.329 16.639 ( 0.000 -1.107 4.185) 4.329 16.653 ( -0.000 -1.486 -4.523) 4.761 16.653 ( 0.000 -1.486 4.523) 4.761 =================== 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 3/25920 10.0 1260.405 1382.782 1307.152 0.000 0.000 0.000 3/25920 20.0 221.743 224.502 235.701 0.000 0.000 0.000 3/25920 30.0 94.226 95.510 101.746 0.000 0.000 0.000 3/25920 40.0 53.473 54.216 58.019 0.000 0.000 0.000 3/25920 50.0 35.270 35.766 38.255 0.000 0.000 0.000 3/25920 60.0 25.466 25.831 27.581 0.000 0.000 0.000 3/25920 70.0 19.524 19.810 21.128 0.000 0.000 0.000 3/25920 80.0 15.622 15.853 16.904 0.000 0.000 0.000 3/25920 90.0 12.906 13.098 13.971 0.000 0.000 0.000 3/25920 100.0 10.930 11.093 11.841 0.000 0.000 0.000 3/25920 110.0 9.442 9.583 10.238 0.000 0.000 0.000 3/25920 120.0 8.289 8.413 8.996 0.000 0.000 0.000 3/25920 130.0 7.375 7.485 8.011 0.000 0.000 0.000 3/25920 140.0 6.635 6.734 7.213 0.000 0.000 0.000 3/25920 150.0 6.027 6.117 6.557 0.000 0.000 0.000 3/25920 160.0 5.519 5.601 6.008 0.000 0.000 0.000 3/25920 170.0 5.089 5.165 5.544 0.000 0.000 0.000 3/25920 180.0 4.721 4.791 5.146 0.000 0.000 0.000 3/25920 190.0 4.403 4.469 4.802 0.000 0.000 0.000 3/25920 200.0 4.125 4.187 4.501 0.000 0.000 0.000 3/25920 210.0 3.881 3.939 4.237 0.000 0.000 0.000 3/25920 220.0 3.664 3.719 4.002 0.000 0.000 0.000 3/25920 230.0 3.471 3.523 3.793 0.000 0.000 0.000 3/25920 240.0 3.298 3.347 3.605 0.000 0.000 0.000 3/25920 250.0 3.142 3.189 3.435 0.000 0.000 0.000 3/25920 260.0 3.000 3.045 3.281 0.000 0.000 0.000 3/25920 270.0 2.870 2.913 3.141 0.000 0.000 0.000 3/25920 280.0 2.752 2.793 3.012 0.000 0.000 0.000 3/25920 290.0 2.643 2.683 2.894 0.000 0.000 0.000 3/25920 300.0 2.543 2.581 2.785 0.000 0.000 0.000 3/25920 310.0 2.450 2.487 2.684 0.000 0.000 0.000 3/25920 320.0 2.365 2.400 2.591 0.000 0.000 0.000 3/25920 330.0 2.285 2.319 2.504 0.000 0.000 0.000 3/25920 340.0 2.210 2.243 2.422 0.000 0.000 0.000 3/25920 350.0 2.140 2.173 2.347 0.000 0.000 0.000 3/25920 360.0 2.075 2.106 2.275 0.000 0.000 0.000 3/25920 370.0 2.014 2.044 2.208 0.000 0.000 0.000 3/25920 380.0 1.956 1.985 2.145 0.000 0.000 0.000 3/25920 390.0 1.901 1.930 2.086 0.000 0.000 0.000 3/25920 400.0 1.850 1.878 2.030 0.000 0.000 0.000 3/25920 410.0 1.801 1.828 1.977 0.000 0.000 0.000 3/25920 420.0 1.755 1.782 1.926 0.000 0.000 0.000 3/25920 430.0 1.712 1.737 1.879 0.000 0.000 0.000 3/25920 440.0 1.670 1.695 1.833 0.000 0.000 0.000 3/25920 450.0 1.630 1.655 1.790 0.000 0.000 0.000 3/25920 460.0 1.593 1.617 1.749 0.000 0.000 0.000 3/25920 470.0 1.557 1.580 1.709 0.000 0.000 0.000 3/25920 480.0 1.522 1.545 1.672 0.000 0.000 0.000 3/25920 490.0 1.490 1.512 1.636 0.000 0.000 0.000 3/25920 500.0 1.458 1.480 1.602 0.000 0.000 0.000 3/25920 510.0 1.428 1.450 1.569 0.000 0.000 0.000 3/25920 520.0 1.399 1.421 1.537 0.000 0.000 0.000 3/25920 530.0 1.372 1.392 1.507 0.000 0.000 0.000 3/25920 540.0 1.345 1.365 1.478 0.000 0.000 0.000 3/25920 550.0 1.320 1.340 1.450 0.000 0.000 0.000 3/25920 560.0 1.295 1.315 1.423 0.000 0.000 0.000 3/25920 570.0 1.271 1.291 1.397 0.000 0.000 0.000 3/25920 580.0 1.249 1.267 1.372 0.000 0.000 0.000 3/25920 590.0 1.227 1.245 1.348 0.000 0.000 0.000 3/25920 600.0 1.205 1.224 1.325 0.000 0.000 0.000 3/25920 610.0 1.185 1.203 1.302 0.000 0.000 0.000 3/25920 620.0 1.165 1.183 1.281 0.000 0.000 0.000 3/25920 630.0 1.146 1.163 1.260 0.000 0.000 0.000 3/25920 640.0 1.127 1.144 1.239 0.000 0.000 0.000 3/25920 650.0 1.110 1.126 1.220 0.000 0.000 0.000 3/25920 660.0 1.092 1.109 1.201 0.000 0.000 0.000 3/25920 670.0 1.075 1.092 1.182 0.000 0.000 0.000 3/25920 680.0 1.059 1.075 1.164 0.000 0.000 0.000 3/25920 690.0 1.043 1.059 1.147 0.000 0.000 0.000 3/25920 700.0 1.028 1.044 1.130 0.000 0.000 0.000 3/25920 710.0 1.013 1.028 1.114 0.000 0.000 0.000 3/25920 720.0 0.999 1.014 1.098 0.000 0.000 0.000 3/25920 730.0 0.985 1.000 1.083 0.000 0.000 0.000 3/25920 740.0 0.971 0.986 1.068 0.000 0.000 0.000 3/25920 750.0 0.958 0.972 1.053 0.000 0.000 0.000 3/25920 760.0 0.945 0.959 1.039 0.000 0.000 0.000 3/25920 770.0 0.932 0.946 1.025 0.000 0.000 0.000 3/25920 780.0 0.920 0.934 1.012 0.000 0.000 0.000 3/25920 790.0 0.908 0.922 0.999 0.000 0.000 0.000 3/25920 800.0 0.897 0.910 0.986 0.000 0.000 0.000 3/25920 810.0 0.885 0.899 0.974 0.000 0.000 0.000 3/25920 820.0 0.874 0.887 0.961 0.000 0.000 0.000 3/25920 830.0 0.864 0.877 0.950 0.000 0.000 0.000 3/25920 840.0 0.853 0.866 0.938 0.000 0.000 0.000 3/25920 850.0 0.843 0.856 0.927 0.000 0.000 0.000 3/25920 860.0 0.833 0.845 0.916 0.000 0.000 0.000 3/25920 870.0 0.823 0.836 0.905 0.000 0.000 0.000 3/25920 880.0 0.814 0.826 0.895 0.000 0.000 0.000 3/25920 890.0 0.804 0.816 0.885 0.000 0.000 0.000 3/25920 900.0 0.795 0.807 0.875 0.000 0.000 0.000 3/25920 910.0 0.786 0.798 0.865 0.000 0.000 0.000 3/25920 920.0 0.778 0.789 0.855 0.000 0.000 0.000 3/25920 930.0 0.769 0.781 0.846 0.000 0.000 0.000 3/25920 940.0 0.761 0.772 0.837 0.000 0.000 0.000 3/25920 950.0 0.753 0.764 0.828 0.000 0.000 0.000 3/25920 960.0 0.745 0.756 0.819 0.000 0.000 0.000 3/25920 970.0 0.737 0.748 0.811 0.000 0.000 0.000 3/25920 980.0 0.729 0.740 0.802 0.000 0.000 0.000 3/25920 990.0 0.722 0.733 0.794 0.000 0.000 0.000 3/25920 1000.0 0.715 0.725 0.786 0.000 0.000 0.000 3/25920 Thermal conductivity related properties were written into "kappa-m896.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 13:09:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|