----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 23:53:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.097302575000516 -4.000424015000000 0.000000000000000 b 8.097302575000516 4.000424015000000 0.000000000000000 c -5.508213960351348 0.000000000000000 8.294414444069503 Atomic positions (fractional): *1 Ba 0.68598238014931 0.69366781981745 0.78631672061517 137.327 2 Ba 0.30633218018255 0.31401761985069 0.71368327938483 137.327 3 Ba 0.69366781981745 0.68598238014931 0.28631672061517 137.327 4 Ba 0.31401761985069 0.30633218018255 0.21368327938483 137.327 *5 La 0.99023238134917 0.00976761865083 0.75000000000000 138.905 6 La 0.00976761865083 0.99023238134917 0.25000000000000 138.905 *7 Cl 0.07648033255255 0.31468723307771 0.85953057756753 35.453 *8 Cl 0.61563320128677 0.11976565592854 0.02848733175332 35.453 9 Cl 0.88023434407146 0.38436679871323 0.47151266824668 35.453 10 Cl 0.31468723307771 0.07648033255255 0.35953057756753 35.453 *11 Cl 0.24187229915690 0.93406249285481 0.58213219880353 35.453 *12 Cl 0.37481932388929 0.62518067611071 0.25000000000000 35.453 13 Cl 0.93406249285481 0.24187229915690 0.08213219880353 35.453 14 Cl 0.06593750714519 0.75812770084310 0.91786780119647 35.453 15 Cl 0.62518067611071 0.37481932388929 0.75000000000000 35.453 16 Cl 0.75812770084310 0.06593750714520 0.41786780119647 35.453 17 Cl 0.68531276692229 0.92351966744744 0.64046942243247 35.453 18 Cl 0.11976565592854 0.61563320128677 0.52848733175332 35.453 19 Cl 0.38436679871323 0.88023434407146 0.97151266824668 35.453 20 Cl 0.92351966744744 0.68531276692230 0.14046942243247 35.453 -------------------------------- unit cell --------------------------------- Lattice vectors: a 16.194605150001031 0.000000000000000 0.000000000000000 b 0.000000000000000 8.000848030000000 0.000000000000000 c -5.508213960351348 0.000000000000000 8.294414444069503 Atomic positions (fractional): *1 Ba 0.18982509998338 0.50384271983407 0.78631672061517 137.327 > 1 2 Ba 0.31017490001662 0.00384271983407 0.71368327938483 137.327 > 2 3 Ba 0.68982509998338 0.99615728016593 0.28631672061517 137.327 > 3 4 Ba 0.81017490001662 0.49615728016593 0.21368327938483 137.327 > 4 5 Ba 0.68982509998338 0.00384271983407 0.78631672061517 137.327 > 1 6 Ba 0.81017490001662 0.50384271983407 0.71368327938483 137.327 > 2 7 Ba 0.18982509998338 0.49615728016593 0.28631672061517 137.327 > 3 8 Ba 0.31017490001662 0.99615728016593 0.21368327938483 137.327 > 4 *9 La 0.00000000000000 0.00976761865083 0.75000000000000 138.905 > 5 10 La 0.00000000000000 0.99023238134917 0.25000000000000 138.905 > 6 11 La 0.50000000000000 0.50976761865083 0.75000000000000 138.905 > 5 12 La 0.50000000000000 0.49023238134917 0.25000000000000 138.905 > 6 *13 Cl 0.19558378281513 0.11910345026258 0.85953057756753 35.453 > 7 *14 Cl 0.86769942860766 0.25206622732089 0.02848733175332 35.453 > 8 15 Cl 0.13230057139234 0.25206622732089 0.47151266824668 35.453 > 9 16 Cl 0.69558378281513 0.38089654973742 0.35953057756753 35.453 > 10 *17 Cl 0.08796739600585 0.84609509684895 0.58213219880353 35.453 > 11 *18 Cl 0.00000000000000 0.62518067611071 0.25000000000000 35.453 > 12 19 Cl 0.58796739600585 0.65390490315105 0.08213219880353 35.453 > 13 20 Cl 0.41203260399415 0.34609509684895 0.91786780119647 35.453 > 14 21 Cl 0.00000000000000 0.37481932388929 0.75000000000000 35.453 > 15 22 Cl 0.91203260399415 0.15390490315105 0.41786780119647 35.453 > 16 23 Cl 0.30441621718487 0.61910345026257 0.64046942243247 35.453 > 17 24 Cl 0.86769942860766 0.74793377267911 0.52848733175332 35.453 > 18 25 Cl 0.13230057139234 0.74793377267911 0.97151266824668 35.453 > 19 26 Cl 0.80441621718487 0.88089654973743 0.14046942243247 35.453 > 20 27 Cl 0.69558378281513 0.61910345026257 0.85953057756753 35.453 > 7 28 Cl 0.36769942860766 0.75206622732089 0.02848733175332 35.453 > 8 29 Cl 0.63230057139234 0.75206622732089 0.47151266824668 35.453 > 9 30 Cl 0.19558378281513 0.88089654973743 0.35953057756753 35.453 > 10 31 Cl 0.58796739600585 0.34609509684895 0.58213219880353 35.453 > 11 32 Cl 0.50000000000000 0.12518067611071 0.25000000000000 35.453 > 12 33 Cl 0.08796739600585 0.15390490315105 0.08213219880353 35.453 > 13 34 Cl 0.91203260399415 0.84609509684895 0.91786780119647 35.453 > 14 35 Cl 0.50000000000000 0.87481932388929 0.75000000000000 35.453 > 15 36 Cl 0.41203260399415 0.65390490315105 0.41786780119647 35.453 > 16 37 Cl 0.80441621718487 0.11910345026258 0.64046942243247 35.453 > 17 38 Cl 0.36769942860766 0.24793377267912 0.52848733175332 35.453 > 18 39 Cl 0.63230057139234 0.24793377267912 0.97151266824668 35.453 > 19 40 Cl 0.30441621718487 0.38089654973742 0.14046942243247 35.453 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 16.194605150001031 0.000000000000000 0.000000000000000 b 0.000000000000000 16.001696060000000 0.000000000000000 c -5.508213960351348 0.000000000000000 8.294414444069503 Atomic positions (fractional): *1 Ba 0.18982509998338 0.25192135991703 0.78631672061517 137.327 > 1 2 Ba 0.18982509998338 0.75192135991703 0.78631672061517 137.327 > 1 3 Ba 0.31017490001662 0.00192135991703 0.71368327938483 137.327 > 2 4 Ba 0.31017490001662 0.50192135991703 0.71368327938483 137.327 > 2 5 Ba 0.68982509998338 0.49807864008297 0.28631672061517 137.327 > 3 6 Ba 0.68982509998338 0.99807864008297 0.28631672061517 137.327 > 3 7 Ba 0.81017490001662 0.24807864008297 0.21368327938483 137.327 > 4 8 Ba 0.81017490001662 0.74807864008297 0.21368327938483 137.327 > 4 9 Ba 0.68982509998338 0.00192135991703 0.78631672061517 137.327 > 1 10 Ba 0.68982509998338 0.50192135991703 0.78631672061517 137.327 > 1 11 Ba 0.81017490001662 0.25192135991703 0.71368327938483 137.327 > 2 12 Ba 0.81017490001662 0.75192135991703 0.71368327938483 137.327 > 2 13 Ba 0.18982509998338 0.24807864008297 0.28631672061517 137.327 > 3 14 Ba 0.18982509998338 0.74807864008297 0.28631672061517 137.327 > 3 15 Ba 0.31017490001662 0.49807864008297 0.21368327938483 137.327 > 4 16 Ba 0.31017490001662 0.99807864008297 0.21368327938483 137.327 > 4 *17 La 0.00000000000000 0.00488380932542 0.75000000000000 138.905 > 5 18 La 0.00000000000000 0.50488380932542 0.75000000000000 138.905 > 5 19 La 0.00000000000000 0.49511619067458 0.25000000000000 138.905 > 6 20 La 0.00000000000000 0.99511619067458 0.25000000000000 138.905 > 6 21 La 0.50000000000000 0.25488380932542 0.75000000000000 138.905 > 5 22 La 0.50000000000000 0.75488380932542 0.75000000000000 138.905 > 5 23 La 0.50000000000000 0.24511619067458 0.25000000000000 138.905 > 6 24 La 0.50000000000000 0.74511619067458 0.25000000000000 138.905 > 6 *25 Cl 0.19558378281513 0.05955172513129 0.85953057756753 35.453 > 7 26 Cl 0.19558378281513 0.55955172513129 0.85953057756753 35.453 > 7 *27 Cl 0.86769942860766 0.12603311366044 0.02848733175332 35.453 > 8 28 Cl 0.86769942860766 0.62603311366044 0.02848733175332 35.453 > 8 29 Cl 0.13230057139234 0.12603311366044 0.47151266824668 35.453 > 9 30 Cl 0.13230057139234 0.62603311366044 0.47151266824668 35.453 > 9 31 Cl 0.69558378281513 0.19044827486871 0.35953057756753 35.453 > 10 32 Cl 0.69558378281513 0.69044827486871 0.35953057756753 35.453 > 10 *33 Cl 0.08796739600585 0.42304754842448 0.58213219880353 35.453 > 11 34 Cl 0.08796739600585 0.92304754842448 0.58213219880353 35.453 > 11 *35 Cl 0.00000000000000 0.31259033805536 0.25000000000000 35.453 > 12 36 Cl 0.00000000000000 0.81259033805536 0.25000000000000 35.453 > 12 37 Cl 0.58796739600585 0.32695245157552 0.08213219880353 35.453 > 13 38 Cl 0.58796739600585 0.82695245157552 0.08213219880353 35.453 > 13 39 Cl 0.41203260399415 0.17304754842448 0.91786780119647 35.453 > 14 40 Cl 0.41203260399415 0.67304754842448 0.91786780119647 35.453 > 14 41 Cl 0.00000000000000 0.18740966194464 0.75000000000000 35.453 > 15 42 Cl 0.00000000000000 0.68740966194464 0.75000000000000 35.453 > 15 43 Cl 0.91203260399415 0.07695245157552 0.41786780119647 35.453 > 16 44 Cl 0.91203260399415 0.57695245157552 0.41786780119647 35.453 > 16 45 Cl 0.30441621718487 0.30955172513129 0.64046942243247 35.453 > 17 46 Cl 0.30441621718487 0.80955172513129 0.64046942243247 35.453 > 17 47 Cl 0.86769942860766 0.37396688633956 0.52848733175332 35.453 > 18 48 Cl 0.86769942860766 0.87396688633956 0.52848733175332 35.453 > 18 49 Cl 0.13230057139234 0.37396688633956 0.97151266824668 35.453 > 19 50 Cl 0.13230057139234 0.87396688633956 0.97151266824668 35.453 > 19 51 Cl 0.80441621718487 0.44044827486871 0.14046942243247 35.453 > 20 52 Cl 0.80441621718487 0.94044827486871 0.14046942243247 35.453 > 20 53 Cl 0.69558378281513 0.30955172513129 0.85953057756753 35.453 > 7 54 Cl 0.69558378281513 0.80955172513129 0.85953057756753 35.453 > 7 55 Cl 0.36769942860766 0.37603311366044 0.02848733175332 35.453 > 8 56 Cl 0.36769942860766 0.87603311366044 0.02848733175332 35.453 > 8 57 Cl 0.63230057139234 0.37603311366044 0.47151266824668 35.453 > 9 58 Cl 0.63230057139234 0.87603311366044 0.47151266824668 35.453 > 9 59 Cl 0.19558378281513 0.44044827486871 0.35953057756753 35.453 > 10 60 Cl 0.19558378281513 0.94044827486871 0.35953057756753 35.453 > 10 61 Cl 0.58796739600585 0.17304754842448 0.58213219880353 35.453 > 11 62 Cl 0.58796739600585 0.67304754842448 0.58213219880353 35.453 > 11 63 Cl 0.50000000000000 0.06259033805536 0.25000000000000 35.453 > 12 64 Cl 0.50000000000000 0.56259033805536 0.25000000000000 35.453 > 12 65 Cl 0.08796739600585 0.07695245157552 0.08213219880353 35.453 > 13 66 Cl 0.08796739600585 0.57695245157552 0.08213219880353 35.453 > 13 67 Cl 0.91203260399415 0.42304754842448 0.91786780119647 35.453 > 14 68 Cl 0.91203260399415 0.92304754842448 0.91786780119647 35.453 > 14 69 Cl 0.50000000000000 0.43740966194464 0.75000000000000 35.453 > 15 70 Cl 0.50000000000000 0.93740966194464 0.75000000000000 35.453 > 15 71 Cl 0.41203260399415 0.32695245157552 0.41786780119647 35.453 > 16 72 Cl 0.41203260399415 0.82695245157552 0.41786780119647 35.453 > 16 73 Cl 0.80441621718487 0.05955172513129 0.64046942243247 35.453 > 17 74 Cl 0.80441621718487 0.55955172513129 0.64046942243247 35.453 > 17 75 Cl 0.36769942860766 0.12396688633956 0.52848733175332 35.453 > 18 76 Cl 0.36769942860766 0.62396688633956 0.52848733175332 35.453 > 18 77 Cl 0.63230057139234 0.12396688633956 0.97151266824668 35.453 > 19 78 Cl 0.63230057139234 0.62396688633956 0.97151266824668 35.453 > 19 79 Cl 0.30441621718487 0.19044827486871 0.14046942243247 35.453 > 20 80 Cl 0.30441621718487 0.69044827486871 0.14046942243247 35.453 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.7361149 0.0000000 -0.0164074 0.0000000 3.6478971 0.0000000 -0.0164178 0.0000000 3.6406137 -------------------------- Born effective charges -------------------------- 1 Ba 2.8463747 0.1264488 -0.0649031 0.1031381 2.8543418 0.0095959 -0.0322248 -0.0339254 2.5438311 2 Ba 2.8463747 -0.1264488 -0.0649031 -0.1031381 2.8543418 -0.0095959 -0.0322248 0.0339254 2.5438311 3 Ba 2.8463747 -0.1264488 -0.0649031 -0.1031381 2.8543418 -0.0095959 -0.0322248 0.0339254 2.5438311 4 Ba 2.8463747 0.1264488 -0.0649031 0.1031381 2.8543418 0.0095959 -0.0322248 -0.0339254 2.5438311 5 La 4.2629903 0.0000000 0.1197394 0.0000000 3.6839205 0.0000000 0.0604797 0.0000000 4.1811620 6 La 4.2629903 0.0000000 0.1197394 0.0000000 3.6839205 0.0000000 0.0604797 0.0000000 4.1811620 7 Cl -1.7479923 -0.1875040 -0.0637649 -0.1871796 -1.1370278 0.0744864 -0.0765730 0.0505563 -1.1788320 8 Cl -1.0416383 0.2701937 -0.1176374 0.2509690 -1.5713624 0.2778156 -0.1068997 0.2975015 -1.4811430 9 Cl -1.0416383 -0.2701937 -0.1176374 -0.2509690 -1.5713624 -0.2778156 -0.1068997 -0.2975015 -1.4811430 10 Cl -1.7479923 0.1875040 -0.0637649 0.1871796 -1.1370278 -0.0744864 -0.0765730 -0.0505563 -1.1788320 11 Cl -1.3816909 0.1585498 0.2310866 0.1700207 -1.1271351 0.2436371 0.2558329 0.3130614 -1.5979857 12 Cl -1.6130966 0.0000000 -0.0893019 0.0000000 -1.7215534 0.0000000 -0.1407505 0.0000000 -0.7529027 13 Cl -1.3816909 -0.1585498 0.2310866 -0.1700207 -1.1271351 -0.2436371 0.2558329 -0.3130614 -1.5979857 14 Cl -1.3816909 -0.1585498 0.2310866 -0.1700207 -1.1271351 -0.2436371 0.2558329 -0.3130614 -1.5979857 15 Cl -1.6130966 0.0000000 -0.0893019 0.0000000 -1.7215534 0.0000000 -0.1407505 0.0000000 -0.7529027 16 Cl -1.3816909 0.1585498 0.2310866 0.1700207 -1.1271351 0.2436371 0.2558329 0.3130614 -1.5979857 17 Cl -1.7479923 0.1875040 -0.0637649 0.1871796 -1.1370278 -0.0744864 -0.0765730 -0.0505563 -1.1788320 18 Cl -1.0416383 -0.2701937 -0.1176374 -0.2509690 -1.5713624 -0.2778156 -0.1068997 -0.2975015 -1.4811430 19 Cl -1.0416383 0.2701937 -0.1176374 0.2509690 -1.5713624 0.2778156 -0.1068997 0.2975015 -1.4811430 20 Cl -1.7479923 -0.1875040 -0.0637649 -0.1871796 -1.1370278 0.0744864 -0.0765730 0.0505563 -1.1788320 ---------------------------------------------------------------------------- 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: 9204/9204 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1898 Number of blocks in projector: 1898 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: 416 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 238 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 238 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 238 Use standard eigh solver. Tree of FC basis block matrices: - (1898, 1853), data: False |-- (238, 232), data: True |-- (238, 232), data: True |-- (238, 232), data: True |-- (384, 376), data: True |-- (384, 376), data: True |-- (416, 405), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 640 - Time: 2.201 Solver_block: 200 / 640 - Time: 2.222 Solver_block: 300 / 640 - Time: 2.220 Solver_block: 400 / 640 - Time: 2.219 Solver_block: 500 / 640 - Time: 2.221 Solver_block: 600 / 640 - Time: 2.225 Solver_block: 640 / 640 - Time: 0.962 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.317 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 240/240 Permutation basis: 9204/9204 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1898 Number of blocks in projector: 1898 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: 416 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 238 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 238 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 238 Use standard eigh solver. Tree of FC basis block matrices: - (1898, 1853), data: False |-- (238, 232), data: True |-- (238, 232), data: True |-- (238, 232), data: True |-- (384, 376), data: True |-- (384, 376), data: True |-- (416, 405), 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 23:53:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:53:53]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.097302575000516 -4.000424015000000 0.000000000000000 b 8.097302575000516 4.000424015000000 0.000000000000000 c -5.508213960351348 0.000000000000000 8.294414444069503 Atomic positions (fractional): 1 Ba 0.68598238014931 0.69366781981745 0.78631672061517 137.327 2 Ba 0.30633218018255 0.31401761985069 0.71368327938483 137.327 3 Ba 0.69366781981745 0.68598238014931 0.28631672061517 137.327 4 Ba 0.31401761985069 0.30633218018255 0.21368327938483 137.327 5 La 0.99023238134917 0.00976761865083 0.75000000000000 138.905 6 La 0.00976761865083 0.99023238134917 0.25000000000000 138.905 7 Cl 0.07648033255255 0.31468723307771 0.85953057756753 35.453 8 Cl 0.61563320128677 0.11976565592854 0.02848733175332 35.453 9 Cl 0.88023434407146 0.38436679871323 0.47151266824668 35.453 10 Cl 0.31468723307771 0.07648033255255 0.35953057756753 35.453 11 Cl 0.24187229915690 0.93406249285481 0.58213219880353 35.453 12 Cl 0.37481932388929 0.62518067611071 0.25000000000000 35.453 13 Cl 0.93406249285481 0.24187229915690 0.08213219880353 35.453 14 Cl 0.06593750714519 0.75812770084310 0.91786780119647 35.453 15 Cl 0.62518067611071 0.37481932388929 0.75000000000000 35.453 16 Cl 0.75812770084310 0.06593750714520 0.41786780119647 35.453 17 Cl 0.68531276692229 0.92351966744744 0.64046942243247 35.453 18 Cl 0.11976565592854 0.61563320128677 0.52848733175332 35.453 19 Cl 0.38436679871323 0.88023434407146 0.97151266824668 35.453 20 Cl 0.92351966744744 0.68531276692230 0.14046942243247 35.453 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.194605150001031 0.000000000000000 0.000000000000000 b 0.000000000000000 16.001696060000000 0.000000000000000 c -5.508213960351348 0.000000000000000 8.294414444069503 Atomic positions (fractional): 1 Ba 0.18982509998338 0.25192135991703 0.78631672061517 137.327 > 1 2 Ba 0.18982509998338 0.75192135991703 0.78631672061517 137.327 > 1 3 Ba 0.31017490001662 0.00192135991703 0.71368327938483 137.327 > 3 4 Ba 0.31017490001662 0.50192135991703 0.71368327938483 137.327 > 3 5 Ba 0.68982509998338 0.49807864008297 0.28631672061517 137.327 > 5 6 Ba 0.68982509998338 0.99807864008297 0.28631672061517 137.327 > 5 7 Ba 0.81017490001662 0.24807864008297 0.21368327938483 137.327 > 7 8 Ba 0.81017490001662 0.74807864008297 0.21368327938483 137.327 > 7 9 Ba 0.68982509998338 0.00192135991703 0.78631672061517 137.327 > 1 10 Ba 0.68982509998338 0.50192135991703 0.78631672061517 137.327 > 1 11 Ba 0.81017490001662 0.25192135991703 0.71368327938483 137.327 > 3 12 Ba 0.81017490001662 0.75192135991703 0.71368327938483 137.327 > 3 13 Ba 0.18982509998338 0.24807864008297 0.28631672061517 137.327 > 5 14 Ba 0.18982509998338 0.74807864008297 0.28631672061517 137.327 > 5 15 Ba 0.31017490001662 0.49807864008297 0.21368327938483 137.327 > 7 16 Ba 0.31017490001662 0.99807864008297 0.21368327938483 137.327 > 7 17 La 0.00000000000000 0.00488380932542 0.75000000000000 138.905 > 17 18 La 0.00000000000000 0.50488380932542 0.75000000000000 138.905 > 17 19 La 0.00000000000000 0.49511619067458 0.25000000000000 138.905 > 19 20 La 0.00000000000000 0.99511619067458 0.25000000000000 138.905 > 19 21 La 0.50000000000000 0.25488380932542 0.75000000000000 138.905 > 17 22 La 0.50000000000000 0.75488380932542 0.75000000000000 138.905 > 17 23 La 0.50000000000000 0.24511619067458 0.25000000000000 138.905 > 19 24 La 0.50000000000000 0.74511619067458 0.25000000000000 138.905 > 19 25 Cl 0.19558378281513 0.05955172513129 0.85953057756753 35.453 > 25 26 Cl 0.19558378281513 0.55955172513129 0.85953057756753 35.453 > 25 27 Cl 0.86769942860766 0.12603311366044 0.02848733175332 35.453 > 27 28 Cl 0.86769942860766 0.62603311366044 0.02848733175332 35.453 > 27 29 Cl 0.13230057139234 0.12603311366044 0.47151266824668 35.453 > 29 30 Cl 0.13230057139234 0.62603311366044 0.47151266824668 35.453 > 29 31 Cl 0.69558378281513 0.19044827486871 0.35953057756753 35.453 > 31 32 Cl 0.69558378281513 0.69044827486871 0.35953057756753 35.453 > 31 33 Cl 0.08796739600585 0.42304754842448 0.58213219880353 35.453 > 33 34 Cl 0.08796739600585 0.92304754842448 0.58213219880353 35.453 > 33 35 Cl 0.00000000000000 0.31259033805536 0.25000000000000 35.453 > 35 36 Cl 0.00000000000000 0.81259033805536 0.25000000000000 35.453 > 35 37 Cl 0.58796739600585 0.32695245157552 0.08213219880353 35.453 > 37 38 Cl 0.58796739600585 0.82695245157552 0.08213219880353 35.453 > 37 39 Cl 0.41203260399415 0.17304754842448 0.91786780119647 35.453 > 39 40 Cl 0.41203260399415 0.67304754842448 0.91786780119647 35.453 > 39 41 Cl 0.00000000000000 0.18740966194464 0.75000000000000 35.453 > 41 42 Cl 0.00000000000000 0.68740966194464 0.75000000000000 35.453 > 41 43 Cl 0.91203260399415 0.07695245157552 0.41786780119647 35.453 > 43 44 Cl 0.91203260399415 0.57695245157552 0.41786780119647 35.453 > 43 45 Cl 0.30441621718487 0.30955172513129 0.64046942243247 35.453 > 45 46 Cl 0.30441621718487 0.80955172513129 0.64046942243247 35.453 > 45 47 Cl 0.86769942860766 0.37396688633956 0.52848733175332 35.453 > 47 48 Cl 0.86769942860766 0.87396688633956 0.52848733175332 35.453 > 47 49 Cl 0.13230057139234 0.37396688633956 0.97151266824668 35.453 > 49 50 Cl 0.13230057139234 0.87396688633956 0.97151266824668 35.453 > 49 51 Cl 0.80441621718487 0.44044827486871 0.14046942243247 35.453 > 51 52 Cl 0.80441621718487 0.94044827486871 0.14046942243247 35.453 > 51 53 Cl 0.69558378281513 0.30955172513129 0.85953057756753 35.453 > 25 54 Cl 0.69558378281513 0.80955172513129 0.85953057756753 35.453 > 25 55 Cl 0.36769942860766 0.37603311366044 0.02848733175332 35.453 > 27 56 Cl 0.36769942860766 0.87603311366044 0.02848733175332 35.453 > 27 57 Cl 0.63230057139234 0.37603311366044 0.47151266824668 35.453 > 29 58 Cl 0.63230057139234 0.87603311366044 0.47151266824668 35.453 > 29 59 Cl 0.19558378281513 0.44044827486871 0.35953057756753 35.453 > 31 60 Cl 0.19558378281513 0.94044827486871 0.35953057756753 35.453 > 31 61 Cl 0.58796739600585 0.17304754842448 0.58213219880353 35.453 > 33 62 Cl 0.58796739600585 0.67304754842448 0.58213219880353 35.453 > 33 63 Cl 0.50000000000000 0.06259033805536 0.25000000000000 35.453 > 35 64 Cl 0.50000000000000 0.56259033805536 0.25000000000000 35.453 > 35 65 Cl 0.08796739600585 0.07695245157552 0.08213219880353 35.453 > 37 66 Cl 0.08796739600585 0.57695245157552 0.08213219880353 35.453 > 37 67 Cl 0.91203260399415 0.42304754842448 0.91786780119647 35.453 > 39 68 Cl 0.91203260399415 0.92304754842448 0.91786780119647 35.453 > 39 69 Cl 0.50000000000000 0.43740966194464 0.75000000000000 35.453 > 41 70 Cl 0.50000000000000 0.93740966194464 0.75000000000000 35.453 > 41 71 Cl 0.41203260399415 0.32695245157552 0.41786780119647 35.453 > 43 72 Cl 0.41203260399415 0.82695245157552 0.41786780119647 35.453 > 43 73 Cl 0.80441621718487 0.05955172513129 0.64046942243247 35.453 > 45 74 Cl 0.80441621718487 0.55955172513129 0.64046942243247 35.453 > 45 75 Cl 0.36769942860766 0.12396688633956 0.52848733175332 35.453 > 47 76 Cl 0.36769942860766 0.62396688633956 0.52848733175332 35.453 > 47 77 Cl 0.63230057139234 0.12396688633956 0.97151266824668 35.453 > 49 78 Cl 0.63230057139234 0.62396688633956 0.97151266824668 35.453 > 49 79 Cl 0.30441621718487 0.19044827486871 0.14046942243247 35.453 > 51 80 Cl 0.30441621718487 0.69044827486871 0.14046942243247 35.453 > 51 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.7361149 0.0000000 -0.0164074 0.0000000 3.6478971 0.0000000 -0.0164178 0.0000000 3.6406137 -------------------------- Born effective charges -------------------------- 1 Ba 2.8463747 0.1264488 -0.0649031 0.1031381 2.8543418 0.0095959 -0.0322248 -0.0339254 2.5438311 2 Ba 2.8463747 -0.1264488 -0.0649031 -0.1031381 2.8543418 -0.0095959 -0.0322248 0.0339254 2.5438311 3 Ba 2.8463747 -0.1264488 -0.0649031 -0.1031381 2.8543418 -0.0095959 -0.0322248 0.0339254 2.5438311 4 Ba 2.8463747 0.1264488 -0.0649031 0.1031381 2.8543418 0.0095959 -0.0322248 -0.0339254 2.5438311 5 La 4.2629903 0.0000000 0.1197394 0.0000000 3.6839205 0.0000000 0.0604797 0.0000000 4.1811620 6 La 4.2629903 0.0000000 0.1197394 0.0000000 3.6839205 0.0000000 0.0604797 0.0000000 4.1811620 7 Cl -1.7479923 -0.1875040 -0.0637649 -0.1871796 -1.1370278 0.0744864 -0.0765730 0.0505563 -1.1788320 8 Cl -1.0416383 0.2701937 -0.1176374 0.2509690 -1.5713624 0.2778156 -0.1068997 0.2975015 -1.4811430 9 Cl -1.0416383 -0.2701937 -0.1176374 -0.2509690 -1.5713624 -0.2778156 -0.1068997 -0.2975015 -1.4811430 10 Cl -1.7479923 0.1875040 -0.0637649 0.1871796 -1.1370278 -0.0744864 -0.0765730 -0.0505563 -1.1788320 11 Cl -1.3816909 0.1585498 0.2310866 0.1700207 -1.1271351 0.2436371 0.2558329 0.3130614 -1.5979857 12 Cl -1.6130966 0.0000000 -0.0893019 0.0000000 -1.7215534 0.0000000 -0.1407505 0.0000000 -0.7529027 13 Cl -1.3816909 -0.1585498 0.2310866 -0.1700207 -1.1271351 -0.2436371 0.2558329 -0.3130614 -1.5979857 14 Cl -1.3816909 -0.1585498 0.2310866 -0.1700207 -1.1271351 -0.2436371 0.2558329 -0.3130614 -1.5979857 15 Cl -1.6130966 0.0000000 -0.0893019 0.0000000 -1.7215534 0.0000000 -0.1407505 0.0000000 -0.7529027 16 Cl -1.3816909 0.1585498 0.2310866 0.1700207 -1.1271351 0.2436371 0.2558329 0.3130614 -1.5979857 17 Cl -1.7479923 0.1875040 -0.0637649 0.1871796 -1.1370278 -0.0744864 -0.0765730 -0.0505563 -1.1788320 18 Cl -1.0416383 -0.2701937 -0.1176374 -0.2509690 -1.5713624 -0.2778156 -0.1068997 -0.2975015 -1.4811430 19 Cl -1.0416383 0.2701937 -0.1176374 0.2509690 -1.5713624 0.2778156 -0.1068997 0.2975015 -1.4811430 20 Cl -1.7479923 -0.1875040 -0.0637649 -0.1871796 -1.1370278 0.0744864 -0.0765730 0.0505563 -1.1788320 ---------------------------------------------------------------------------- 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] [-0.0055 0.0000 0.0083] [ 0.0055 0.0000 -0.0083] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0055 0.0000 0.0083] [ 0.0055 0.0000 -0.0083] Computing fc3[ 25, 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] [-0.0055 0.0000 0.0083] [ 0.0055 0.0000 -0.0083] Computing fc3[ 27, 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] [-0.0055 0.0000 0.0083] [ 0.0055 0.0000 -0.0083] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0055 0.0000 0.0083] [ 0.0055 0.0000 -0.0083] Computing fc3[ 35, 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] [-0.0055 0.0000 0.0083] [ 0.0055 0.0000 -0.0083] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000014 (yyy) -0.00000014 (yyy) -0.00000014 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yz) 0.00000000 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:54:08]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:54:08]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.097302575000516 -4.000424015000000 0.000000000000000 b 8.097302575000516 4.000424015000000 0.000000000000000 c -5.508213960351348 0.000000000000000 8.294414444069503 Atomic positions (fractional): 1 Ba 0.68598238014931 0.69366781981745 0.78631672061517 137.327 2 Ba 0.30633218018255 0.31401761985069 0.71368327938483 137.327 3 Ba 0.69366781981745 0.68598238014931 0.28631672061517 137.327 4 Ba 0.31401761985069 0.30633218018255 0.21368327938483 137.327 5 La 0.99023238134917 0.00976761865083 0.75000000000000 138.905 6 La 0.00976761865083 0.99023238134917 0.25000000000000 138.905 7 Cl 0.07648033255255 0.31468723307771 0.85953057756753 35.453 8 Cl 0.61563320128677 0.11976565592854 0.02848733175332 35.453 9 Cl 0.88023434407146 0.38436679871323 0.47151266824668 35.453 10 Cl 0.31468723307771 0.07648033255255 0.35953057756753 35.453 11 Cl 0.24187229915690 0.93406249285481 0.58213219880353 35.453 12 Cl 0.37481932388929 0.62518067611071 0.25000000000000 35.453 13 Cl 0.93406249285481 0.24187229915690 0.08213219880353 35.453 14 Cl 0.06593750714519 0.75812770084310 0.91786780119647 35.453 15 Cl 0.62518067611071 0.37481932388929 0.75000000000000 35.453 16 Cl 0.75812770084310 0.06593750714520 0.41786780119647 35.453 17 Cl 0.68531276692229 0.92351966744744 0.64046942243247 35.453 18 Cl 0.11976565592854 0.61563320128677 0.52848733175332 35.453 19 Cl 0.38436679871323 0.88023434407146 0.97151266824668 35.453 20 Cl 0.92351966744744 0.68531276692230 0.14046942243247 35.453 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.194605150001031 0.000000000000000 0.000000000000000 b 0.000000000000000 16.001696060000000 0.000000000000000 c -5.508213960351348 0.000000000000000 8.294414444069503 Atomic positions (fractional): 1 Ba 0.18982509998338 0.25192135991703 0.78631672061517 137.327 > 1 2 Ba 0.18982509998338 0.75192135991703 0.78631672061517 137.327 > 1 3 Ba 0.31017490001662 0.00192135991703 0.71368327938483 137.327 > 3 4 Ba 0.31017490001662 0.50192135991703 0.71368327938483 137.327 > 3 5 Ba 0.68982509998338 0.49807864008297 0.28631672061517 137.327 > 5 6 Ba 0.68982509998338 0.99807864008297 0.28631672061517 137.327 > 5 7 Ba 0.81017490001662 0.24807864008297 0.21368327938483 137.327 > 7 8 Ba 0.81017490001662 0.74807864008297 0.21368327938483 137.327 > 7 9 Ba 0.68982509998338 0.00192135991703 0.78631672061517 137.327 > 1 10 Ba 0.68982509998338 0.50192135991703 0.78631672061517 137.327 > 1 11 Ba 0.81017490001662 0.25192135991703 0.71368327938483 137.327 > 3 12 Ba 0.81017490001662 0.75192135991703 0.71368327938483 137.327 > 3 13 Ba 0.18982509998338 0.24807864008297 0.28631672061517 137.327 > 5 14 Ba 0.18982509998338 0.74807864008297 0.28631672061517 137.327 > 5 15 Ba 0.31017490001662 0.49807864008297 0.21368327938483 137.327 > 7 16 Ba 0.31017490001662 0.99807864008297 0.21368327938483 137.327 > 7 17 La 0.00000000000000 0.00488380932542 0.75000000000000 138.905 > 17 18 La 0.00000000000000 0.50488380932542 0.75000000000000 138.905 > 17 19 La 0.00000000000000 0.49511619067458 0.25000000000000 138.905 > 19 20 La 0.00000000000000 0.99511619067458 0.25000000000000 138.905 > 19 21 La 0.50000000000000 0.25488380932542 0.75000000000000 138.905 > 17 22 La 0.50000000000000 0.75488380932542 0.75000000000000 138.905 > 17 23 La 0.50000000000000 0.24511619067458 0.25000000000000 138.905 > 19 24 La 0.50000000000000 0.74511619067458 0.25000000000000 138.905 > 19 25 Cl 0.19558378281513 0.05955172513129 0.85953057756753 35.453 > 25 26 Cl 0.19558378281513 0.55955172513129 0.85953057756753 35.453 > 25 27 Cl 0.86769942860766 0.12603311366044 0.02848733175332 35.453 > 27 28 Cl 0.86769942860766 0.62603311366044 0.02848733175332 35.453 > 27 29 Cl 0.13230057139234 0.12603311366044 0.47151266824668 35.453 > 29 30 Cl 0.13230057139234 0.62603311366044 0.47151266824668 35.453 > 29 31 Cl 0.69558378281513 0.19044827486871 0.35953057756753 35.453 > 31 32 Cl 0.69558378281513 0.69044827486871 0.35953057756753 35.453 > 31 33 Cl 0.08796739600585 0.42304754842448 0.58213219880353 35.453 > 33 34 Cl 0.08796739600585 0.92304754842448 0.58213219880353 35.453 > 33 35 Cl 0.00000000000000 0.31259033805536 0.25000000000000 35.453 > 35 36 Cl 0.00000000000000 0.81259033805536 0.25000000000000 35.453 > 35 37 Cl 0.58796739600585 0.32695245157552 0.08213219880353 35.453 > 37 38 Cl 0.58796739600585 0.82695245157552 0.08213219880353 35.453 > 37 39 Cl 0.41203260399415 0.17304754842448 0.91786780119647 35.453 > 39 40 Cl 0.41203260399415 0.67304754842448 0.91786780119647 35.453 > 39 41 Cl 0.00000000000000 0.18740966194464 0.75000000000000 35.453 > 41 42 Cl 0.00000000000000 0.68740966194464 0.75000000000000 35.453 > 41 43 Cl 0.91203260399415 0.07695245157552 0.41786780119647 35.453 > 43 44 Cl 0.91203260399415 0.57695245157552 0.41786780119647 35.453 > 43 45 Cl 0.30441621718487 0.30955172513129 0.64046942243247 35.453 > 45 46 Cl 0.30441621718487 0.80955172513129 0.64046942243247 35.453 > 45 47 Cl 0.86769942860766 0.37396688633956 0.52848733175332 35.453 > 47 48 Cl 0.86769942860766 0.87396688633956 0.52848733175332 35.453 > 47 49 Cl 0.13230057139234 0.37396688633956 0.97151266824668 35.453 > 49 50 Cl 0.13230057139234 0.87396688633956 0.97151266824668 35.453 > 49 51 Cl 0.80441621718487 0.44044827486871 0.14046942243247 35.453 > 51 52 Cl 0.80441621718487 0.94044827486871 0.14046942243247 35.453 > 51 53 Cl 0.69558378281513 0.30955172513129 0.85953057756753 35.453 > 25 54 Cl 0.69558378281513 0.80955172513129 0.85953057756753 35.453 > 25 55 Cl 0.36769942860766 0.37603311366044 0.02848733175332 35.453 > 27 56 Cl 0.36769942860766 0.87603311366044 0.02848733175332 35.453 > 27 57 Cl 0.63230057139234 0.37603311366044 0.47151266824668 35.453 > 29 58 Cl 0.63230057139234 0.87603311366044 0.47151266824668 35.453 > 29 59 Cl 0.19558378281513 0.44044827486871 0.35953057756753 35.453 > 31 60 Cl 0.19558378281513 0.94044827486871 0.35953057756753 35.453 > 31 61 Cl 0.58796739600585 0.17304754842448 0.58213219880353 35.453 > 33 62 Cl 0.58796739600585 0.67304754842448 0.58213219880353 35.453 > 33 63 Cl 0.50000000000000 0.06259033805536 0.25000000000000 35.453 > 35 64 Cl 0.50000000000000 0.56259033805536 0.25000000000000 35.453 > 35 65 Cl 0.08796739600585 0.07695245157552 0.08213219880353 35.453 > 37 66 Cl 0.08796739600585 0.57695245157552 0.08213219880353 35.453 > 37 67 Cl 0.91203260399415 0.42304754842448 0.91786780119647 35.453 > 39 68 Cl 0.91203260399415 0.92304754842448 0.91786780119647 35.453 > 39 69 Cl 0.50000000000000 0.43740966194464 0.75000000000000 35.453 > 41 70 Cl 0.50000000000000 0.93740966194464 0.75000000000000 35.453 > 41 71 Cl 0.41203260399415 0.32695245157552 0.41786780119647 35.453 > 43 72 Cl 0.41203260399415 0.82695245157552 0.41786780119647 35.453 > 43 73 Cl 0.80441621718487 0.05955172513129 0.64046942243247 35.453 > 45 74 Cl 0.80441621718487 0.55955172513129 0.64046942243247 35.453 > 45 75 Cl 0.36769942860766 0.12396688633956 0.52848733175332 35.453 > 47 76 Cl 0.36769942860766 0.62396688633956 0.52848733175332 35.453 > 47 77 Cl 0.63230057139234 0.12396688633956 0.97151266824668 35.453 > 49 78 Cl 0.63230057139234 0.62396688633956 0.97151266824668 35.453 > 49 79 Cl 0.30441621718487 0.19044827486871 0.14046942243247 35.453 > 51 80 Cl 0.30441621718487 0.69044827486871 0.14046942243247 35.453 > 51 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.7361149 0.0000000 -0.0164074 0.0000000 3.6478971 0.0000000 -0.0164178 0.0000000 3.6406137 -------------------------- Born effective charges -------------------------- 1 Ba 2.8463747 0.1264488 -0.0649031 0.1031381 2.8543418 0.0095959 -0.0322248 -0.0339254 2.5438311 2 Ba 2.8463747 -0.1264488 -0.0649031 -0.1031381 2.8543418 -0.0095959 -0.0322248 0.0339254 2.5438311 3 Ba 2.8463747 -0.1264488 -0.0649031 -0.1031381 2.8543418 -0.0095959 -0.0322248 0.0339254 2.5438311 4 Ba 2.8463747 0.1264488 -0.0649031 0.1031381 2.8543418 0.0095959 -0.0322248 -0.0339254 2.5438311 5 La 4.2629903 0.0000000 0.1197394 0.0000000 3.6839205 0.0000000 0.0604797 0.0000000 4.1811620 6 La 4.2629903 0.0000000 0.1197394 0.0000000 3.6839205 0.0000000 0.0604797 0.0000000 4.1811620 7 Cl -1.7479923 -0.1875040 -0.0637649 -0.1871796 -1.1370278 0.0744864 -0.0765730 0.0505563 -1.1788320 8 Cl -1.0416383 0.2701937 -0.1176374 0.2509690 -1.5713624 0.2778156 -0.1068997 0.2975015 -1.4811430 9 Cl -1.0416383 -0.2701937 -0.1176374 -0.2509690 -1.5713624 -0.2778156 -0.1068997 -0.2975015 -1.4811430 10 Cl -1.7479923 0.1875040 -0.0637649 0.1871796 -1.1370278 -0.0744864 -0.0765730 -0.0505563 -1.1788320 11 Cl -1.3816909 0.1585498 0.2310866 0.1700207 -1.1271351 0.2436371 0.2558329 0.3130614 -1.5979857 12 Cl -1.6130966 0.0000000 -0.0893019 0.0000000 -1.7215534 0.0000000 -0.1407505 0.0000000 -0.7529027 13 Cl -1.3816909 -0.1585498 0.2310866 -0.1700207 -1.1271351 -0.2436371 0.2558329 -0.3130614 -1.5979857 14 Cl -1.3816909 -0.1585498 0.2310866 -0.1700207 -1.1271351 -0.2436371 0.2558329 -0.3130614 -1.5979857 15 Cl -1.6130966 0.0000000 -0.0893019 0.0000000 -1.7215534 0.0000000 -0.1407505 0.0000000 -0.7529027 16 Cl -1.3816909 0.1585498 0.2310866 0.1700207 -1.1271351 0.2436371 0.2558329 0.3130614 -1.5979857 17 Cl -1.7479923 0.1875040 -0.0637649 0.1871796 -1.1370278 -0.0744864 -0.0765730 -0.0505563 -1.1788320 18 Cl -1.0416383 -0.2701937 -0.1176374 -0.2509690 -1.5713624 -0.2778156 -0.1068997 -0.2975015 -1.4811430 19 Cl -1.0416383 0.2701937 -0.1176374 0.2509690 -1.5713624 0.2778156 -0.1068997 0.2975015 -1.4811430 20 Cl -1.7479923 -0.1875040 -0.0637649 -0.1871796 -1.1370278 0.0744864 -0.0765730 0.0505563 -1.1788320 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000014 (yyy) -0.00000014 (yyy) -0.00000014 (yyy) 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 ... [ 7 7 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: 0.51, Number of G-points: 299, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/88) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 88 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 1.504 ( 0.000 0.000 0.000) 0.000 1.632 ( 0.000 0.000 0.000) 0.000 1.807 ( 0.000 0.000 0.000) 0.000 1.879 ( 0.000 0.000 0.000) 0.000 1.915 ( 0.000 0.000 0.000) 0.000 1.942 ( 0.000 0.000 0.000) 0.000 2.097 ( 0.000 0.000 0.000) 0.000 2.295 ( 0.000 0.000 0.000) 0.000 2.375 ( 0.000 0.000 0.000) 0.000 2.405 ( 0.000 0.000 0.000) 0.000 2.409 ( 0.000 0.000 0.000) 0.000 2.637 ( 0.000 0.000 0.000) 0.000 2.641 ( 0.000 0.000 0.000) 0.000 2.774 ( 0.000 0.000 0.000) 0.000 2.888 ( 0.000 0.000 0.000) 0.000 2.890 ( 0.000 0.000 0.000) 0.000 3.210 ( 0.000 0.000 0.000) 0.000 3.229 ( 0.000 0.000 0.000) 0.000 3.312 ( 0.000 0.000 0.000) 0.000 3.404 ( 0.000 0.000 0.000) 0.000 3.445 ( 0.000 0.000 0.000) 0.000 3.470 ( 0.000 0.000 0.000) 0.000 3.622 ( 0.000 0.000 0.000) 0.000 3.818 ( 0.000 0.000 0.000) 0.000 3.828 ( 0.000 0.000 0.000) 0.000 3.934 ( 0.000 0.000 0.000) 0.000 4.089 ( 0.000 0.000 0.000) 0.000 4.209 ( 0.000 0.000 0.000) 0.000 4.223 ( 0.000 0.000 0.000) 0.000 4.258 ( 0.000 0.000 0.000) 0.000 4.264 ( 0.000 0.000 0.000) 0.000 4.324 ( 0.000 0.000 0.000) 0.000 4.378 ( 0.000 0.000 0.000) 0.000 4.413 ( 0.000 0.000 0.000) 0.000 4.472 ( 0.000 0.000 0.000) 0.000 4.492 ( 0.000 0.000 0.000) 0.000 4.662 ( 0.000 0.000 0.000) 0.000 4.771 ( 0.000 0.000 0.000) 0.000 4.889 ( 0.000 0.000 0.000) 0.000 4.910 ( 0.000 0.000 0.000) 0.000 5.106 ( 0.000 0.000 0.000) 0.000 5.146 ( 0.000 0.000 0.000) 0.000 5.150 ( 0.000 0.000 0.000) 0.000 5.245 ( 0.000 0.000 0.000) 0.000 5.270 ( 0.000 0.000 0.000) 0.000 5.493 ( 0.000 0.000 0.000) 0.000 5.496 ( 0.000 0.000 0.000) 0.000 5.606 ( 0.000 0.000 0.000) 0.000 5.762 ( 0.000 0.000 0.000) 0.000 6.015 ( 0.000 0.000 0.000) 0.000 6.023 ( 0.000 0.000 0.000) 0.000 6.086 ( 0.000 0.000 0.000) 0.000 6.414 ( 0.000 0.000 0.000) 0.000 6.461 ( 0.000 0.000 0.000) 0.000 6.950 ( 0.000 0.000 0.000) 0.000 7.153 ( 0.000 0.000 0.000) 0.000 7.293 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/88) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.339 ( 4.521 -14.481 5.721) 16.213 0.435 ( 9.384 -18.122 4.003) 20.797 0.798 ( 20.637 -30.414 7.241) 37.461 1.527 ( 2.250 -2.401 -4.053) 5.220 1.594 ( -0.919 1.431 -0.550) 1.788 1.773 ( -4.760 0.965 -3.437) 5.950 1.841 ( -0.498 3.648 -0.457) 3.710 1.966 ( 0.340 0.967 2.975) 3.146 2.010 ( 3.918 -1.979 4.374) 6.197 2.124 ( 4.038 -2.230 -0.440) 4.634 2.260 ( -2.372 4.476 -0.067) 5.066 2.289 ( -0.435 6.776 -1.113) 6.880 2.333 ( -1.306 4.695 1.472) 5.091 2.428 ( -7.087 6.599 -1.445) 9.791 2.581 ( -0.618 7.382 1.161) 7.498 2.659 ( 3.507 -0.560 -0.504) 3.586 2.842 ( -3.932 -3.108 -2.156) 5.456 2.903 ( -8.022 -7.866 -2.038) 11.419 2.937 ( 11.491 6.292 -1.506) 13.187 3.149 ( -7.583 2.565 3.347) 8.676 3.243 ( -0.075 -0.695 -0.046) 0.701 3.308 ( 5.396 1.052 -3.258) 6.390 3.369 ( 1.016 4.178 2.352) 4.901 3.472 ( -0.948 -1.220 1.237) 1.979 3.525 ( -0.058 -1.749 -0.601) 1.851 3.672 ( 0.017 -4.297 -1.113) 4.439 3.804 ( -0.107 1.651 0.379) 1.698 3.859 ( -1.125 1.785 -1.441) 2.555 3.925 ( -1.698 0.066 0.709) 1.841 4.040 ( -0.185 3.626 3.387) 4.966 4.162 ( 1.641 5.082 -3.705) 6.500 4.198 ( -1.939 2.370 1.413) 3.373 4.250 ( -1.982 0.143 -2.823) 3.452 4.311 ( 2.224 -0.334 3.548) 4.201 4.371 ( 4.182 -4.462 -11.202) 12.763 4.426 ( -5.321 0.910 1.147) 5.519 4.512 ( 4.892 2.085 6.917) 8.725 4.517 ( -1.152 -1.523 8.357) 8.572 4.616 ( -3.046 1.137 -2.206) 3.929 4.770 ( -0.959 -1.106 -0.096) 1.467 4.799 ( -6.079 -5.293 -0.767) 8.096 4.925 ( -0.221 1.179 2.498) 2.771 5.060 ( -1.958 0.065 -4.619) 5.017 5.083 ( -3.506 -1.294 0.062) 3.738 5.185 ( 4.248 0.257 -2.404) 4.887 5.234 ( -0.996 -3.518 0.054) 3.657 5.295 ( -1.507 -2.064 0.562) 2.617 5.483 ( 0.302 1.806 0.433) 1.882 5.555 ( -2.154 -1.766 3.878) 4.774 5.607 ( -5.537 -3.719 -0.784) 6.716 5.627 ( -7.738 -8.427 2.808) 11.780 6.012 ( -0.850 -0.911 -0.655) 1.407 6.049 ( 0.572 -2.114 0.347) 2.217 6.093 ( 0.078 -0.565 0.642) 0.859 6.399 ( -0.796 0.893 -1.041) 1.586 6.471 ( 0.659 -0.772 0.297) 1.057 6.754 ( 24.485 13.181 0.285) 27.809 7.014 ( 1.724 4.094 -9.042) 10.074 7.188 ( 2.172 0.033 3.515) 4.132 7.311 ( 1.380 -0.664 0.976) 1.816 ======================= Grid point 2 (3/88) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.655 ( 4.412 -12.414 5.788) 14.390 0.855 ( 9.033 -17.159 3.428) 19.692 1.411 ( 5.953 -7.257 -1.146) 9.456 1.584 ( 5.138 -10.282 -0.121) 11.495 1.626 ( 3.401 -6.796 -6.195) 9.805 1.673 ( -0.401 2.886 -1.423) 3.243 1.765 ( 1.632 4.472 0.833) 4.833 1.898 ( -3.276 5.850 2.224) 7.064 2.024 ( -3.933 2.956 -1.467) 5.134 2.105 ( -5.722 6.277 0.268) 8.498 2.110 ( 0.550 5.897 1.436) 6.094 2.193 ( -0.602 3.093 -0.240) 3.160 2.229 ( -0.263 7.882 0.113) 7.888 2.427 ( 8.832 -4.994 2.890) 10.550 2.456 ( -0.849 3.534 3.653) 5.153 2.717 ( 6.061 -1.268 -1.407) 6.350 2.805 ( -4.334 0.128 -1.975) 4.764 2.913 ( -4.336 -2.502 -1.706) 5.289 2.982 ( -2.633 -2.108 1.155) 3.565 3.075 ( -3.860 0.537 1.264) 4.097 3.234 ( 0.736 3.305 2.207) 4.042 3.300 ( 6.442 3.806 -5.458) 9.261 3.358 ( -1.199 -2.641 1.303) 3.179 3.469 ( -2.767 0.371 1.301) 3.079 3.523 ( -3.322 -1.722 -3.853) 5.371 3.663 ( 0.494 3.502 -2.523) 4.344 3.750 ( -2.931 3.191 -1.044) 4.457 3.813 ( 0.332 0.539 1.542) 1.667 3.903 ( -2.684 -0.595 -0.344) 2.771 3.992 ( 2.208 9.171 -4.459) 10.434 4.090 ( 0.223 -1.270 5.920) 6.059 4.175 ( -0.586 -0.442 -1.860) 2.000 4.227 ( -2.529 1.765 1.702) 3.522 4.255 ( -3.853 4.697 1.041) 6.163 4.378 ( -0.208 1.552 -5.109) 5.344 4.455 ( 3.303 -3.670 -4.488) 6.672 4.513 ( 0.312 1.275 1.506) 1.997 4.574 ( -1.176 -2.510 3.251) 4.272 4.644 ( 3.933 -3.522 3.632) 6.408 4.795 ( 0.689 -1.709 -0.404) 1.887 4.848 ( -0.536 -1.119 7.314) 7.419 4.891 ( -0.821 2.736 2.847) 4.033 5.015 ( 0.034 1.051 -2.357) 2.581 5.084 ( -4.496 -3.776 -4.692) 7.516 5.189 ( 1.718 -0.089 -2.293) 2.866 5.314 ( -0.892 -1.181 -2.632) 3.020 5.346 ( 1.336 -6.063 0.347) 6.218 5.440 ( -0.279 3.244 3.281) 4.622 5.556 ( -1.572 -0.781 -0.452) 1.813 5.626 ( -4.406 -3.610 -0.524) 5.720 5.764 ( 3.310 -4.293 5.351) 7.617 6.005 ( -2.421 -0.048 -0.793) 2.548 6.093 ( -0.783 -1.552 2.119) 2.741 6.115 ( 1.498 -0.965 -0.625) 1.889 6.359 ( -1.176 1.568 -1.599) 2.529 6.509 ( 1.669 -2.159 0.824) 2.851 6.732 ( 13.179 8.011 0.135) 15.423 6.895 ( -3.665 2.579 -6.938) 8.259 7.222 ( 0.996 -0.462 2.142) 2.407 7.339 ( 0.927 -0.308 1.309) 1.633 ======================= Grid point 3 (4/88) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( 2.687 -6.931 4.022) 8.452 1.230 ( 7.637 -13.140 2.257) 15.364 1.328 ( -2.317 4.532 -3.616) 6.244 1.561 ( -2.728 2.546 -2.935) 4.747 1.662 ( 0.443 0.502 -2.375) 2.467 1.692 ( -4.414 5.057 0.680) 6.746 1.763 ( 3.539 0.277 0.859) 3.652 1.852 ( -3.205 4.315 -2.700) 6.015 1.920 ( -2.123 1.222 -1.259) 2.754 2.004 ( 2.243 1.460 0.690) 2.764 2.099 ( 0.789 3.837 1.873) 4.342 2.104 ( 0.221 0.333 -2.088) 2.126 2.283 ( 6.769 -9.711 6.330) 13.423 2.471 ( 0.744 -1.505 3.730) 4.091 2.590 ( 2.064 -1.776 -0.114) 2.725 2.740 ( 2.679 1.196 -2.007) 3.555 2.796 ( 2.780 -1.381 -2.232) 3.824 2.864 ( -10.295 1.234 1.371) 10.459 2.948 ( -2.507 1.139 1.150) 2.984 3.093 ( -0.132 -2.528 0.052) 2.532 3.161 ( 0.916 4.617 -0.679) 4.756 3.283 ( 4.358 0.763 -2.773) 5.222 3.361 ( -6.061 0.208 1.476) 6.241 3.466 ( 4.251 0.172 1.950) 4.680 3.513 ( -3.614 -2.524 -4.689) 6.435 3.628 ( 0.305 -0.471 0.280) 0.627 3.687 ( -0.266 2.071 0.998) 2.314 3.790 ( -0.912 1.619 -0.171) 1.866 3.840 ( 0.475 5.405 -1.765) 5.706 3.908 ( -0.631 -1.285 0.496) 1.515 4.096 ( -2.059 2.158 -1.417) 3.303 4.132 ( -1.080 1.653 0.855) 2.152 4.199 ( -0.792 -0.840 3.058) 3.269 4.216 ( 0.836 0.598 -0.426) 1.112 4.294 ( -1.763 2.007 -2.923) 3.960 4.497 ( 0.973 -1.510 -2.703) 3.245 4.517 ( 0.250 -0.124 0.517) 0.588 4.635 ( 1.557 -1.539 0.757) 2.316 4.739 ( 1.541 -1.756 0.038) 2.337 4.811 ( -0.143 0.862 0.934) 1.279 4.870 ( 0.946 0.104 1.638) 1.894 4.935 ( -0.145 -1.602 8.437) 8.589 4.997 ( 0.484 0.751 -0.193) 0.914 5.094 ( -1.215 -4.642 -5.064) 6.976 5.195 ( -0.171 -0.562 -0.661) 0.884 5.245 ( -1.003 4.381 -4.144) 6.113 5.426 ( 0.216 -1.170 1.289) 1.754 5.448 ( 0.429 -1.209 1.445) 1.932 5.560 ( -0.051 -0.564 -0.325) 0.653 5.646 ( -1.561 -1.498 -0.143) 2.168 5.880 ( 3.795 -2.407 2.998) 5.402 5.959 ( -3.749 1.346 -1.277) 4.183 6.117 ( -2.333 -1.120 3.400) 4.273 6.130 ( 2.318 0.414 -2.482) 3.421 6.320 ( -0.350 0.776 -1.000) 1.313 6.581 ( 1.106 -3.048 1.650) 3.638 6.697 ( 5.825 5.096 -1.131) 7.822 6.798 ( -3.307 0.652 -2.736) 4.341 7.245 ( 0.402 -0.341 0.698) 0.875 7.351 ( 0.219 0.028 0.583) 0.624 ======================= Grid point 8 (5/88) ======================= q-point: ( 0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.366 ( 8.603 0.000 17.645) 19.631 0.460 ( 18.949 0.000 10.130) 21.487 0.830 ( 38.517 0.000 10.569) 39.940 1.477 ( 0.830 0.000 -7.623) 7.668 1.590 ( -3.779 -0.000 -1.209) 3.968 1.793 ( 4.754 0.000 2.533) 5.386 1.855 ( -2.381 -0.000 -1.002) 2.584 1.985 ( -6.505 -0.000 4.468) 7.892 2.089 ( 5.693 0.000 5.524) 7.932 2.096 ( 2.706 0.000 -6.408) 6.956 2.278 ( 1.316 0.000 -1.767) 2.203 2.356 ( -5.521 -0.000 -0.416) 5.537 2.380 ( -6.797 -0.000 0.797) 6.843 2.413 ( -0.436 -0.000 4.942) 4.962 2.628 ( 0.091 0.000 -5.378) 5.379 2.685 ( 0.936 0.000 2.734) 2.890 2.731 ( -2.493 -0.000 -0.096) 2.495 2.751 ( -5.259 -0.000 -2.182) 5.694 3.101 ( -1.774 -0.000 -4.667) 4.993 3.167 ( 5.472 0.000 -8.074) 9.753 3.186 ( -3.788 -0.000 -1.277) 3.997 3.341 ( -4.571 -0.000 4.452) 6.381 3.355 ( -1.964 -0.000 -4.433) 4.848 3.463 ( -2.294 -0.000 3.676) 4.333 3.521 ( 4.219 0.000 0.586) 4.259 3.624 ( 2.508 0.000 -0.393) 2.539 3.791 ( -2.346 -0.000 -1.457) 2.762 3.920 ( -0.760 -0.000 -1.586) 1.759 4.003 ( -2.760 -0.000 7.607) 8.092 4.085 ( -2.441 -0.000 1.782) 3.022 4.174 ( -1.687 -0.000 -5.835) 6.074 4.198 ( -4.023 -0.000 -7.955) 8.915 4.222 ( -2.870 -0.000 3.475) 4.506 4.304 ( 0.730 0.000 3.071) 3.156 4.352 ( 3.940 0.000 1.439) 4.195 4.379 ( -4.735 -0.000 3.114) 5.667 4.541 ( -0.178 -0.000 5.353) 5.355 4.559 ( 3.305 0.000 1.116) 3.489 4.591 ( 1.817 0.000 6.628) 6.872 4.703 ( 1.921 0.000 8.354) 8.572 4.735 ( -1.741 -0.000 0.726) 1.887 4.881 ( -4.828 -0.000 -4.309) 6.471 4.976 ( 1.013 0.000 -7.344) 7.414 5.131 ( 2.342 0.000 3.469) 4.185 5.168 ( -5.081 -0.000 -1.533) 5.307 5.246 ( 2.339 0.000 -0.821) 2.479 5.276 ( 0.200 0.000 1.183) 1.200 5.323 ( -1.728 -0.000 0.883) 1.941 5.534 ( 0.298 0.000 3.633) 3.645 5.560 ( -2.845 -0.000 0.318) 2.862 5.696 ( 10.381 0.000 7.902) 13.046 5.998 ( 0.401 0.000 -1.515) 1.568 6.046 ( 1.159 0.000 1.532) 1.921 6.093 ( -0.043 -0.000 1.254) 1.254 6.389 ( -1.280 -0.000 -2.277) 2.612 6.473 ( 0.479 0.000 1.229) 1.318 6.891 ( -1.196 -0.000 -6.819) 6.923 7.155 ( 0.350 0.000 -13.902) 13.906 7.196 ( 1.411 0.000 3.714) 3.973 7.383 ( 8.739 0.000 -7.141) 11.285 ======================= Grid point 9 (6/88) ======================= q-point: ( 0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.579 ( 8.544 -5.496 12.465) 16.081 0.759 ( 15.664 -8.510 7.769) 19.446 1.354 ( 22.830 -10.923 4.891) 25.777 1.480 ( 0.674 -4.983 -6.369) 8.115 1.531 ( 0.856 -0.553 0.094) 1.023 1.774 ( 2.405 5.268 -2.478) 6.299 1.844 ( 0.347 2.458 5.275) 5.830 1.960 ( -1.645 1.206 2.742) 3.417 2.030 ( -0.619 3.316 -5.553) 6.497 2.130 ( -2.970 1.394 -2.620) 4.199 2.187 ( -6.832 5.561 -2.388) 9.126 2.257 ( -5.057 5.260 2.493) 7.711 2.333 ( 1.494 2.463 1.872) 3.436 2.435 ( 4.274 -2.190 3.367) 5.865 2.562 ( -3.163 2.941 -0.255) 4.327 2.706 ( -3.173 -2.635 -1.030) 4.251 2.737 ( 1.281 -2.730 -4.067) 5.063 2.786 ( 3.981 -1.182 0.782) 4.226 3.009 ( -5.940 2.208 0.018) 6.337 3.093 ( 4.561 4.041 -2.357) 6.534 3.213 ( -3.126 -4.878 0.247) 5.799 3.313 ( -0.456 -1.064 -2.635) 2.878 3.352 ( -2.777 0.640 -2.044) 3.507 3.458 ( -3.216 0.457 -2.324) 3.994 3.513 ( 1.995 2.561 1.260) 3.482 3.695 ( 0.683 -1.214 1.773) 2.255 3.775 ( -1.950 -2.593 -2.380) 4.024 3.840 ( -0.393 6.729 -1.457) 6.896 3.928 ( -1.233 6.127 6.481) 9.004 4.071 ( -0.254 3.640 -11.668) 12.225 4.087 ( -0.459 -1.196 2.246) 2.585 4.121 ( -4.135 -2.611 -0.186) 4.894 4.247 ( -5.515 0.582 5.057) 7.505 4.309 ( 1.458 3.066 -1.677) 3.786 4.360 ( -2.055 -0.669 1.205) 2.475 4.415 ( 2.079 -1.723 1.846) 3.271 4.504 ( -3.872 3.975 -2.290) 6.003 4.581 ( -0.203 -0.871 3.679) 3.786 4.671 ( 3.117 -0.546 2.763) 4.201 4.762 ( 1.459 -2.598 0.201) 2.987 4.815 ( -0.544 -3.413 7.676) 8.418 4.847 ( -2.886 -4.538 -2.362) 5.874 4.967 ( -0.670 -0.365 -3.405) 3.490 5.129 ( 1.682 4.632 2.603) 5.574 5.146 ( -3.297 -2.364 -1.131) 4.211 5.254 ( 1.378 -3.979 -1.361) 4.425 5.308 ( 3.253 -0.721 0.704) 3.405 5.434 ( 0.381 -6.057 -1.707) 6.304 5.517 ( -1.676 -0.191 -1.216) 2.079 5.565 ( -0.336 -1.226 2.907) 3.173 5.822 ( 7.627 1.124 8.469) 11.452 5.997 ( -0.530 0.099 0.375) 0.657 6.082 ( 1.484 -1.207 1.509) 2.437 6.107 ( 0.675 -0.807 0.727) 1.279 6.355 ( -1.654 0.507 -2.893) 3.371 6.495 ( 1.059 -1.030 1.327) 1.986 6.829 ( -1.616 0.646 -7.455) 7.655 6.990 ( 2.651 8.443 -8.346) 12.164 7.234 ( 0.779 -0.240 2.991) 3.100 7.380 ( 3.789 2.269 -0.385) 4.433 ======================= Grid point 10 (7/88) ======================= q-point: ( 0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.827 ( 6.581 -7.467 6.292) 11.775 1.097 ( 11.378 -11.184 4.735) 16.643 1.356 ( -4.314 3.991 -4.767) 7.567 1.496 ( -1.504 -3.374 -4.189) 5.585 1.679 ( 2.343 3.837 -4.155) 6.122 1.733 ( -2.966 3.264 0.244) 4.417 1.817 ( -2.211 2.970 1.855) 4.141 1.907 ( -4.188 5.911 -1.903) 7.490 1.941 ( 1.449 3.182 1.327) 3.740 2.035 ( -0.978 0.404 -1.485) 1.823 2.108 ( 2.487 -1.007 3.762) 4.621 2.238 ( 3.454 2.118 1.632) 4.368 2.265 ( 5.576 0.201 2.427) 6.084 2.501 ( 0.211 0.848 4.851) 4.929 2.563 ( 0.330 -2.280 -1.559) 2.782 2.712 ( -4.371 -2.642 -2.141) 5.538 2.785 ( 8.134 -1.573 -3.228) 8.892 2.853 ( 4.817 -0.121 2.061) 5.241 2.938 ( -5.047 0.581 0.481) 5.103 3.080 ( 1.398 0.426 -1.054) 1.802 3.246 ( -6.792 0.504 0.567) 6.834 3.279 ( 0.247 1.860 2.656) 3.252 3.333 ( 2.594 -1.460 -5.373) 6.143 3.398 ( -3.598 -1.229 -3.536) 5.193 3.510 ( 1.983 0.252 2.070) 2.878 3.675 ( 1.663 4.491 1.651) 5.066 3.703 ( -3.657 1.270 -1.131) 4.033 3.822 ( -1.621 1.425 0.781) 2.296 3.890 ( 0.959 -0.331 2.429) 2.632 3.920 ( -0.111 5.542 -7.757) 9.534 4.096 ( -2.417 -0.191 0.272) 2.440 4.125 ( -4.934 -0.702 -0.437) 5.003 4.203 ( -3.925 0.580 3.920) 5.578 4.254 ( 1.007 3.181 -2.591) 4.224 4.307 ( -1.588 3.996 -0.373) 4.316 4.433 ( -0.359 -3.322 -1.593) 3.701 4.490 ( -1.043 -1.947 0.463) 2.257 4.613 ( -0.626 -0.716 2.667) 2.831 4.698 ( -0.001 -1.203 -1.968) 2.307 4.811 ( 1.968 -1.609 -1.997) 3.232 4.870 ( -2.593 -1.003 1.110) 2.994 4.938 ( -0.792 -1.964 6.654) 6.983 4.969 ( 0.810 -4.569 -1.618) 4.915 5.072 ( 1.152 3.771 2.292) 4.561 5.157 ( -3.076 -1.722 -0.286) 3.537 5.301 ( 3.155 0.397 -2.952) 4.339 5.366 ( 0.612 -3.156 -0.262) 3.225 5.447 ( -2.254 -0.290 1.080) 2.516 5.568 ( 4.003 -1.121 -0.232) 4.163 5.640 ( 5.011 -3.171 1.962) 6.246 5.898 ( 2.348 -0.682 5.110) 5.665 5.973 ( -1.014 2.690 1.584) 3.282 6.104 ( -1.477 -0.480 2.943) 3.328 6.147 ( 3.528 -0.380 -1.025) 3.694 6.315 ( -1.449 0.281 -2.342) 2.768 6.540 ( 0.498 -2.048 0.803) 2.256 6.740 ( -4.019 2.147 -7.133) 8.464 6.855 ( 3.778 5.036 -3.646) 7.275 7.257 ( 0.881 0.312 2.331) 2.512 7.367 ( 0.520 1.325 0.186) 1.435 ======================= Grid point 11 (8/88) ======================= q-point: (-0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.954 ( 1.382 1.735 -1.971) 2.967 1.265 ( -0.904 -2.290 0.185) 2.469 1.354 ( 1.512 1.005 -1.255) 2.207 1.491 ( -0.321 -4.802 0.264) 4.820 1.632 ( -0.572 -0.800 -0.642) 1.174 1.644 ( -2.163 0.176 0.016) 2.170 1.729 ( -4.560 0.667 -1.328) 4.796 1.828 ( -0.709 -1.870 2.593) 3.275 1.929 ( 2.163 1.909 2.349) 3.720 2.004 ( -1.786 -1.263 -1.168) 2.480 2.120 ( 1.020 5.175 -0.405) 5.290 2.132 ( 2.190 3.218 2.705) 4.741 2.398 ( -1.101 8.070 -2.400) 8.491 2.494 ( -0.698 2.926 -1.700) 3.455 2.591 ( 0.977 -1.711 0.685) 2.086 2.698 ( -0.033 -2.462 2.068) 3.215 2.836 ( -0.492 3.678 0.607) 3.760 2.897 ( 7.458 -2.083 -1.260) 7.846 2.941 ( 4.908 -2.229 -2.198) 5.821 3.087 ( -2.114 -2.628 0.534) 3.415 3.185 ( 2.443 3.627 1.447) 4.606 3.245 ( -5.100 0.922 1.737) 5.466 3.367 ( 0.353 -2.218 -2.376) 3.269 3.408 ( 1.524 -2.831 -0.425) 3.243 3.567 ( 1.819 -1.765 3.452) 4.283 3.618 ( -2.048 0.897 -0.608) 2.317 3.678 ( -0.100 0.454 -2.118) 2.169 3.761 ( -1.791 2.124 0.410) 2.809 3.823 ( 0.594 0.169 -2.360) 2.440 3.935 ( 1.486 0.244 2.211) 2.675 4.072 ( 0.818 -1.380 -0.537) 1.692 4.112 ( -2.228 -0.884 0.544) 2.458 4.192 ( -3.270 -0.471 0.102) 3.305 4.205 ( 0.493 0.553 -2.306) 2.422 4.279 ( -0.672 -1.695 2.388) 3.004 4.478 ( -2.469 -1.780 -1.183) 3.266 4.513 ( 1.132 -1.487 1.161) 2.200 4.613 ( -2.129 0.628 1.721) 2.809 4.709 ( -2.882 -2.269 -1.228) 3.868 4.802 ( 0.120 2.475 -2.976) 3.873 4.845 ( -2.160 0.575 -1.624) 2.763 4.922 ( -1.067 0.715 -5.893) 6.032 5.003 ( -0.157 1.365 -0.423) 1.438 5.152 ( -0.767 -1.686 8.033) 8.244 5.161 ( 0.364 -5.099 2.812) 5.834 5.297 ( 4.704 2.693 0.507) 5.444 5.397 ( -0.312 -1.024 -2.775) 2.974 5.448 ( -2.279 -0.816 0.388) 2.452 5.606 ( 4.347 1.114 1.139) 4.630 5.730 ( 7.460 1.854 1.982) 7.939 5.883 ( -3.549 3.313 -0.399) 4.871 5.981 ( 3.118 -1.749 3.014) 4.676 6.120 ( -0.934 -0.592 2.285) 2.538 6.150 ( 2.977 1.897 -2.245) 4.184 6.307 ( -0.626 -1.465 0.030) 1.593 6.557 ( -3.740 -1.038 -1.573) 4.188 6.620 ( -4.709 2.465 -3.739) 6.498 6.838 ( 4.096 -0.155 -0.013) 4.099 7.256 ( -0.190 1.481 1.032) 1.816 7.349 ( -0.380 0.352 -0.549) 0.755 ======================= Grid point 12 (9/88) ======================= q-point: (-0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( -1.807 10.125 -3.303) 10.802 1.092 ( -3.781 15.834 -1.818) 16.380 1.407 ( 1.587 -6.530 2.435) 7.148 1.619 ( 1.670 -2.441 0.785) 3.060 1.655 ( -1.296 -4.148 0.352) 4.360 1.679 ( -4.622 0.741 0.829) 4.754 1.778 ( 2.654 -9.588 1.863) 10.122 1.908 ( -2.373 12.943 2.756) 13.444 1.958 ( 0.270 -4.680 1.789) 5.017 2.003 ( 5.342 0.072 -1.416) 5.527 2.064 ( 0.305 -6.581 -2.333) 6.989 2.096 ( -3.840 0.945 0.430) 3.978 2.173 ( 0.249 2.390 -2.491) 3.461 2.439 ( 1.755 3.156 -3.370) 4.939 2.477 ( -5.134 6.806 -0.263) 8.529 2.716 ( -2.815 2.245 0.671) 3.662 2.834 ( 2.877 -0.368 0.718) 2.988 2.917 ( -0.364 -0.029 -1.148) 1.205 3.057 ( 6.916 -2.863 -2.112) 7.777 3.129 ( 1.160 4.207 1.528) 4.624 3.149 ( -0.348 -3.892 -0.138) 3.909 3.238 ( -2.024 -1.486 2.251) 3.372 3.352 ( -3.501 -0.077 -0.471) 3.533 3.514 ( 7.616 -0.934 -1.339) 7.789 3.579 ( -2.946 0.796 3.836) 4.902 3.625 ( 1.254 -2.255 2.750) 3.771 3.694 ( 0.510 -4.035 -3.833) 5.589 3.785 ( 0.364 -5.228 -0.124) 5.242 3.855 ( -0.152 -1.939 2.131) 2.885 3.948 ( 1.923 0.489 1.817) 2.690 4.077 ( -2.033 1.516 -2.367) 3.469 4.165 ( -1.254 -1.392 -1.776) 2.582 4.180 ( 1.647 -5.463 -0.538) 5.731 4.227 ( 2.251 -2.034 1.951) 3.607 4.338 ( -1.678 -3.051 -0.463) 3.513 4.466 ( -1.685 -0.391 -0.796) 1.904 4.535 ( -1.216 3.207 8.048) 8.748 4.611 ( 0.955 -1.005 2.852) 3.171 4.660 ( -2.302 4.925 -6.300) 8.321 4.733 ( -3.285 -3.231 -7.168) 8.521 4.817 ( -0.117 1.047 -1.101) 1.524 4.866 ( -0.330 0.220 -2.459) 2.491 5.005 ( 0.343 -0.927 0.283) 1.029 5.169 ( -1.134 -0.222 3.820) 3.991 5.262 ( 2.806 3.881 5.036) 6.950 5.332 ( 1.313 -3.948 3.435) 5.396 5.373 ( 0.590 0.539 -5.554) 5.611 5.416 ( -1.812 2.451 -0.476) 3.085 5.617 ( 4.762 2.785 0.948) 5.597 5.707 ( -1.392 4.149 0.686) 4.430 5.807 ( 1.535 2.672 -1.803) 3.570 6.049 ( 3.719 -0.007 2.095) 4.268 6.108 ( 0.340 1.245 -2.698) 2.991 6.136 ( 0.325 1.133 1.399) 1.829 6.357 ( 2.477 -1.926 2.466) 3.991 6.504 ( -6.597 -0.866 -3.304) 7.429 6.536 ( -5.478 0.510 -1.219) 5.635 6.910 ( 3.093 -2.749 2.367) 4.767 7.217 ( -1.354 1.764 -0.856) 2.383 7.340 ( -0.020 0.398 -0.479) 0.623 ======================= Grid point 13 (10/88) ======================= q-point: (-0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.567 ( -0.000 13.932 -0.000) 13.932 0.752 ( -0.000 19.294 -0.000) 19.294 1.283 ( -0.000 29.077 -0.000) 29.077 1.579 ( -0.000 1.276 -0.000) 1.276 1.582 ( -0.000 3.776 -0.000) 3.776 1.751 ( 0.000 -5.878 0.000) 5.878 1.779 ( 0.000 -6.082 0.000) 6.082 1.927 ( 0.000 -1.648 0.000) 1.648 2.044 ( -0.000 1.946 -0.000) 1.946 2.049 ( 0.000 -5.943 0.000) 5.943 2.184 ( 0.000 -6.717 0.000) 6.717 2.223 ( 0.000 -7.409 0.000) 7.409 2.227 ( 0.000 -7.901 0.000) 7.901 2.321 ( -0.000 1.999 -0.000) 1.999 2.442 ( 0.000 -4.552 0.000) 4.552 2.664 ( -0.000 1.787 -0.000) 1.787 2.848 ( 0.000 -0.675 0.000) 0.675 2.904 ( -0.000 1.354 -0.000) 1.354 3.064 ( -0.000 4.995 -0.000) 4.995 3.131 ( 0.000 -2.567 0.000) 2.567 3.213 ( 0.000 -3.241 0.000) 3.241 3.251 ( 0.000 -1.214 0.000) 1.214 3.329 ( -0.000 0.366 -0.000) 0.366 3.523 ( -0.000 2.069 -0.000) 2.069 3.557 ( -0.000 1.636 -0.000) 1.636 3.727 ( 0.000 -1.293 0.000) 1.293 3.745 ( 0.000 -4.431 0.000) 4.431 3.864 ( 0.000 -0.396 0.000) 0.396 3.922 ( 0.000 -6.034 0.000) 6.034 3.961 ( -0.000 0.830 -0.000) 0.830 4.036 ( 0.000 -3.708 0.000) 3.708 4.196 ( 0.000 -1.661 0.000) 1.661 4.255 ( 0.000 -3.006 0.000) 3.006 4.310 ( -0.000 2.386 -0.000) 2.386 4.350 ( 0.000 -5.948 0.000) 5.948 4.451 ( -0.000 0.584 -0.000) 0.584 4.483 ( -0.000 4.036 -0.000) 4.036 4.540 ( -0.000 3.586 -0.000) 3.586 4.655 ( -0.000 0.705 -0.000) 0.705 4.761 ( 0.000 -4.590 0.000) 4.590 4.798 ( 0.000 -0.072 0.000) 0.072 4.873 ( 0.000 -1.308 0.000) 1.308 5.045 ( 0.000 -2.838 0.000) 2.838 5.176 ( -0.000 0.094 -0.000) 0.094 5.192 ( -0.000 6.098 -0.000) 6.098 5.323 ( -0.000 5.040 -0.000) 5.040 5.338 ( -0.000 2.230 -0.000) 2.230 5.433 ( 0.000 -3.919 0.000) 3.919 5.604 ( -0.000 3.812 -0.000) 3.812 5.613 ( -0.000 1.942 -0.000) 1.942 5.783 ( -0.000 1.434 -0.000) 1.434 6.048 ( -0.000 1.938 -0.000) 1.938 6.095 ( 0.000 -0.103 0.000) 0.103 6.105 ( -0.000 2.996 -0.000) 2.996 6.402 ( -0.000 0.262 -0.000) 0.262 6.478 ( 0.000 -0.415 0.000) 0.415 6.504 ( 0.000 -2.698 0.000) 2.698 6.991 ( 0.000 -3.227 0.000) 3.227 7.176 ( -0.000 1.302 -0.000) 1.302 7.325 ( -0.000 1.072 -0.000) 1.072 ======================= Grid point 16 (11/88) ======================= q-point: ( 0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.709 ( 7.856 0.000 15.788) 17.634 0.898 ( 17.304 0.000 9.739) 19.856 1.405 ( 0.130 0.000 -4.241) 4.243 1.431 ( 0.354 0.000 -2.355) 2.382 1.618 ( 25.152 0.000 6.030) 25.865 1.808 ( -1.111 -0.000 0.193) 1.127 1.919 ( -4.028 -0.000 0.451) 4.054 1.979 ( 9.235 0.000 1.068) 9.297 2.033 ( -0.408 -0.000 -6.227) 6.240 2.099 ( -5.958 -0.000 -0.746) 6.005 2.164 ( -7.123 -0.000 -4.035) 8.187 2.227 ( -9.874 -0.000 2.627) 10.217 2.390 ( 2.044 0.000 2.493) 3.224 2.452 ( -5.755 -0.000 -1.899) 6.060 2.480 ( 1.026 0.000 3.599) 3.743 2.716 ( -0.324 -0.000 1.017) 1.068 2.747 ( 8.169 0.000 -3.197) 8.772 2.819 ( 5.884 0.000 0.284) 5.891 2.973 ( -5.713 -0.000 -2.688) 6.314 3.121 ( -3.056 -0.000 3.426) 4.591 3.200 ( 6.605 0.000 -7.708) 10.151 3.250 ( -2.939 -0.000 -5.006) 5.805 3.276 ( -4.852 -0.000 1.021) 4.959 3.448 ( -1.053 -0.000 -0.951) 1.419 3.564 ( -2.772 -0.000 3.412) 4.396 3.683 ( -7.206 -0.000 2.532) 7.638 3.701 ( 4.041 0.000 -3.349) 5.249 3.859 ( -2.838 -0.000 -2.865) 4.033 4.022 ( -0.890 -0.000 -5.935) 6.001 4.039 ( -0.258 -0.000 -3.583) 3.592 4.065 ( -2.839 -0.000 3.392) 4.423 4.103 ( -5.831 -0.000 5.155) 7.783 4.245 ( -2.017 -0.000 3.316) 3.882 4.319 ( -3.181 -0.000 -2.423) 3.999 4.345 ( 2.224 0.000 0.766) 2.352 4.435 ( -0.116 -0.000 2.510) 2.513 4.560 ( -0.916 -0.000 2.960) 3.098 4.581 ( 2.245 0.000 4.105) 4.678 4.655 ( 0.290 0.000 0.642) 0.704 4.713 ( -2.211 -0.000 -7.480) 7.800 4.783 ( 0.116 0.000 1.904) 1.907 4.890 ( 2.862 0.000 12.726) 13.044 4.951 ( 2.792 0.000 -5.689) 6.337 5.083 ( -3.015 -0.000 0.241) 3.025 5.183 ( 0.103 0.000 0.352) 0.367 5.247 ( -0.003 -0.000 -1.747) 1.747 5.312 ( 2.187 0.000 1.625) 2.725 5.389 ( 8.570 0.000 -0.387) 8.578 5.476 ( -3.577 -0.000 -3.394) 4.931 5.563 ( -1.223 -0.000 2.563) 2.840 5.978 ( 5.485 0.000 10.135) 11.524 5.985 ( -0.439 -0.000 -0.988) 1.081 6.092 ( 3.529 0.000 2.223) 4.171 6.120 ( 1.205 0.000 1.613) 2.014 6.320 ( -1.846 -0.000 -4.262) 4.644 6.509 ( 1.554 0.000 2.145) 2.649 6.773 ( -1.369 -0.000 -8.958) 9.062 6.985 ( -4.726 -0.000 -8.066) 9.349 7.264 ( 1.387 0.000 3.040) 3.342 7.435 ( 3.574 0.000 -2.287) 4.243 ======================= Grid point 17 (12/88) ======================= q-point: ( 0.43 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.876 ( 7.940 -1.402 12.134) 14.568 1.119 ( 14.153 -3.003 7.280) 16.196 1.337 ( -5.883 2.883 -5.856) 8.787 1.419 ( 0.248 -2.534 -1.982) 3.227 1.756 ( -1.450 2.287 0.827) 2.832 1.788 ( 2.375 6.282 -5.264) 8.533 1.857 ( -3.486 4.562 -1.326) 5.893 1.923 ( -8.113 3.777 -5.641) 10.578 2.028 ( 1.927 0.899 -0.834) 2.284 2.061 ( 5.971 2.604 5.770) 8.702 2.152 ( 2.122 0.266 4.844) 5.295 2.209 ( 3.656 -6.813 2.997) 8.293 2.340 ( -1.940 1.881 -1.527) 3.104 2.496 ( 1.786 -2.926 -0.294) 3.441 2.525 ( -0.784 -1.455 2.632) 3.108 2.683 ( 1.155 2.126 -0.219) 2.429 2.823 ( 6.946 -2.616 -2.980) 7.998 2.864 ( 0.319 0.124 -1.966) 1.995 2.933 ( 2.470 -0.799 1.295) 2.901 3.121 ( 0.722 2.766 0.422) 2.890 3.166 ( -3.479 -1.291 1.085) 3.866 3.253 ( -0.158 -2.625 -3.750) 4.580 3.284 ( -1.938 -2.356 -2.396) 3.880 3.397 ( -1.858 2.202 -1.979) 3.495 3.529 ( -2.122 1.080 1.753) 2.957 3.629 ( -8.088 -1.677 1.010) 8.321 3.766 ( 1.237 -1.336 0.858) 2.013 3.805 ( -0.605 0.953 -1.893) 2.204 3.939 ( -0.058 3.332 -8.121) 8.778 4.015 ( 1.110 5.217 4.895) 7.240 4.051 ( -1.824 0.412 -0.201) 1.881 4.076 ( -3.187 -0.690 1.874) 3.761 4.191 ( -4.361 1.644 0.613) 4.701 4.253 ( -3.646 1.857 -4.924) 6.402 4.353 ( -0.038 0.481 1.170) 1.266 4.436 ( 0.427 3.085 2.062) 3.735 4.512 ( -0.816 3.229 1.844) 3.807 4.614 ( 2.370 -0.243 0.797) 2.512 4.702 ( -0.234 -0.120 3.946) 3.955 4.746 ( 1.768 -5.799 -5.069) 7.903 4.799 ( -2.541 -3.188 1.927) 4.509 4.939 ( 2.241 0.606 -4.376) 4.954 4.967 ( 0.836 0.269 9.479) 9.519 5.091 ( -2.383 -2.178 0.733) 3.310 5.158 ( 0.365 3.540 -0.049) 3.559 5.235 ( 0.088 -3.473 -3.638) 5.030 5.363 ( 1.590 -0.668 0.277) 1.747 5.423 ( -2.005 -0.194 -1.111) 2.301 5.572 ( 9.326 -5.798 0.250) 10.984 5.588 ( -0.244 -5.027 2.126) 5.464 5.948 ( -1.198 1.966 1.516) 2.757 6.030 ( -0.159 1.065 4.050) 4.191 6.119 ( -0.040 1.525 1.746) 2.318 6.182 ( 6.055 -0.359 4.146) 7.347 6.280 ( -1.655 -0.029 -3.937) 4.271 6.542 ( 2.001 -0.195 1.864) 2.741 6.696 ( -2.266 1.210 -8.109) 8.506 6.885 ( -3.391 1.431 -5.653) 6.746 7.291 ( 1.346 0.071 2.320) 2.683 7.417 ( 1.507 3.115 -0.780) 3.547 ======================= Grid point 18 (13/88) ======================= q-point: ( 0.57 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( 5.687 1.318 3.839) 6.987 1.213 ( -4.487 -0.410 -3.545) 5.733 1.322 ( 6.863 -4.954 2.949) 8.963 1.449 ( -0.960 -0.932 -0.666) 1.494 1.649 ( -1.136 3.361 -3.505) 4.987 1.675 ( -2.214 4.984 0.127) 5.455 1.719 ( -2.944 3.861 -1.351) 5.040 1.799 ( -4.308 0.666 0.726) 4.420 1.974 ( -0.033 1.979 -2.126) 2.905 2.044 ( 0.606 4.959 4.369) 6.636 2.159 ( 0.038 0.793 1.174) 1.417 2.247 ( 0.305 4.041 -1.995) 4.517 2.477 ( 3.196 -0.181 1.070) 3.375 2.519 ( 1.365 0.188 -0.838) 1.613 2.559 ( 0.886 -3.055 1.966) 3.739 2.705 ( 5.029 -0.928 2.491) 5.688 2.836 ( -3.583 -1.262 -2.354) 4.469 2.923 ( 6.184 -3.748 -1.929) 7.484 2.987 ( 4.339 2.590 2.987) 5.870 3.052 ( -1.480 2.957 -1.597) 3.672 3.162 ( -2.517 -1.647 -0.067) 3.009 3.284 ( -0.126 -0.518 -1.335) 1.437 3.286 ( -1.740 -3.188 -0.819) 3.723 3.395 ( 1.951 -3.088 1.188) 3.841 3.538 ( -0.725 -1.804 1.019) 2.195 3.601 ( -5.231 -0.947 -0.006) 5.316 3.726 ( -0.277 6.343 2.875) 6.970 3.785 ( 0.388 1.194 -3.113) 3.356 3.832 ( -0.189 3.165 -3.973) 5.083 3.982 ( 2.640 1.817 3.850) 5.010 4.044 ( -1.506 -0.301 -1.314) 2.021 4.065 ( -1.327 -1.937 -0.108) 2.351 4.146 ( -2.816 0.116 -1.767) 3.327 4.178 ( -3.201 -1.095 -1.523) 3.710 4.325 ( 0.338 6.492 1.712) 6.722 4.411 ( -0.558 -4.261 1.334) 4.499 4.483 ( -1.073 -0.591 -3.133) 3.364 4.661 ( 1.206 -0.509 4.136) 4.338 4.690 ( 0.911 3.214 3.587) 4.901 4.814 ( 3.239 -1.920 -4.169) 5.617 4.843 ( -3.982 -0.838 3.646) 5.464 4.869 ( -1.750 2.424 -8.006) 8.546 5.036 ( -0.049 1.739 1.775) 2.485 5.074 ( -0.613 -4.266 1.495) 4.561 5.168 ( 0.364 -1.037 3.952) 4.102 5.292 ( 0.877 -4.561 -4.180) 6.249 5.385 ( 0.627 -0.409 1.383) 1.573 5.413 ( -1.391 -0.590 -0.559) 1.611 5.635 ( 1.872 -1.954 0.559) 2.763 5.814 ( 10.477 -4.226 1.055) 11.346 5.926 ( -2.744 -0.229 3.039) 4.101 5.982 ( -2.363 3.580 0.522) 4.321 6.115 ( -0.197 -0.568 1.460) 1.579 6.219 ( 3.007 2.831 1.740) 4.482 6.253 ( -1.519 -1.186 -2.493) 3.152 6.548 ( -0.071 1.815 0.226) 1.831 6.604 ( -2.687 2.054 -4.229) 5.415 6.841 ( 0.069 -1.027 -2.025) 2.272 7.309 ( 1.605 1.329 2.157) 2.999 7.356 ( -0.916 2.645 -1.204) 3.047 ======================= Grid point 19 (14/88) ======================= q-point: (-0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( -0.000 6.881 -0.000) 6.881 1.280 ( 0.000 -7.364 0.000) 7.364 1.311 ( -0.000 10.180 -0.000) 10.180 1.521 ( 0.000 -8.820 0.000) 8.820 1.624 ( 0.000 -0.511 0.000) 0.511 1.627 ( 0.000 -2.656 0.000) 2.656 1.669 ( -0.000 0.573 -0.000) 0.573 1.846 ( 0.000 -6.591 0.000) 6.591 1.964 ( 0.000 -1.999 0.000) 1.999 1.986 ( -0.000 2.677 -0.000) 2.677 2.117 ( -0.000 3.970 -0.000) 3.970 2.193 ( -0.000 1.832 -0.000) 1.832 2.321 ( -0.000 15.451 -0.000) 15.451 2.497 ( -0.000 2.811 -0.000) 2.811 2.565 ( -0.000 3.995 -0.000) 3.995 2.743 ( -0.000 1.243 -0.000) 1.243 2.847 ( 0.000 -1.147 0.000) 1.147 2.923 ( -0.000 2.945 -0.000) 2.945 3.020 ( 0.000 -3.692 0.000) 3.692 3.072 ( 0.000 -3.907 0.000) 3.907 3.189 ( 0.000 -1.457 0.000) 1.457 3.252 ( -0.000 4.151 -0.000) 4.151 3.316 ( 0.000 -1.648 0.000) 1.648 3.518 ( 0.000 -5.319 0.000) 5.319 3.553 ( 0.000 -2.004 0.000) 2.004 3.585 ( 0.000 -0.311 0.000) 0.311 3.647 ( -0.000 0.414 -0.000) 0.414 3.753 ( -0.000 2.922 -0.000) 2.922 3.817 ( 0.000 -3.584 0.000) 3.584 3.981 ( -0.000 1.573 -0.000) 1.573 4.083 ( 0.000 -4.159 0.000) 4.159 4.101 ( 0.000 -2.823 0.000) 2.823 4.104 ( -0.000 1.045 -0.000) 1.045 4.242 ( 0.000 -5.366 0.000) 5.366 4.245 ( -0.000 2.127 -0.000) 2.127 4.452 ( 0.000 -0.150 0.000) 0.150 4.536 ( 0.000 -6.002 0.000) 6.002 4.656 ( -0.000 2.710 -0.000) 2.710 4.677 ( -0.000 1.055 -0.000) 1.055 4.716 ( -0.000 6.506 -0.000) 6.506 4.828 ( -0.000 0.565 -0.000) 0.565 4.857 ( 0.000 -0.242 0.000) 0.242 5.000 ( -0.000 0.549 -0.000) 0.549 5.172 ( 0.000 -1.348 0.000) 1.348 5.222 ( 0.000 -5.720 0.000) 5.720 5.346 ( 0.000 -1.763 0.000) 1.763 5.377 ( -0.000 2.217 -0.000) 2.217 5.420 ( 0.000 -0.662 0.000) 0.662 5.673 ( 0.000 -0.490 0.000) 0.490 5.816 ( -0.000 8.499 -0.000) 8.499 5.855 ( -0.000 2.209 -0.000) 2.209 6.038 ( 0.000 -4.245 0.000) 4.245 6.130 ( -0.000 0.203 -0.000) 0.203 6.171 ( -0.000 3.212 -0.000) 3.212 6.297 ( 0.000 -5.368 0.000) 5.368 6.487 ( -0.000 3.746 -0.000) 3.746 6.545 ( -0.000 1.812 -0.000) 1.812 6.878 ( 0.000 -2.712 0.000) 2.712 7.261 ( -0.000 3.797 -0.000) 3.797 7.339 ( 0.000 -0.297 0.000) 0.297 ======================= Grid point 24 (15/88) ======================= q-point: ( 0.43 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( 6.015 0.000 11.175) 12.691 1.275 ( 12.063 0.000 7.149) 14.023 1.285 ( -5.294 -0.000 -6.697) 8.537 1.383 ( 0.303 0.000 -0.654) 0.721 1.771 ( -3.293 -0.000 5.126) 6.092 1.810 ( -10.569 -0.000 -6.723) 12.526 1.841 ( 3.021 0.000 -9.852) 10.305 1.894 ( -1.610 -0.000 -0.711) 1.760 2.063 ( -0.115 -0.000 -2.172) 2.175 2.132 ( -2.659 -0.000 1.943) 3.293 2.194 ( 2.231 0.000 5.033) 5.505 2.246 ( 16.204 0.000 8.192) 18.157 2.305 ( -2.988 -0.000 -1.915) 3.549 2.500 ( -2.182 -0.000 -0.478) 2.234 2.504 ( 3.252 0.000 0.669) 3.320 2.739 ( 0.564 0.000 3.746) 3.788 2.778 ( 0.480 0.000 -2.516) 2.561 2.847 ( -3.458 -0.000 -5.442) 6.447 2.964 ( 7.089 0.000 -0.620) 7.116 3.130 ( -0.726 -0.000 1.667) 1.818 3.195 ( -1.608 -0.000 -2.514) 2.984 3.210 ( 3.263 0.000 0.407) 3.289 3.221 ( 0.355 0.000 -0.991) 1.053 3.367 ( -7.491 -0.000 -1.438) 7.627 3.542 ( -1.347 -0.000 1.937) 2.360 3.545 ( -5.241 -0.000 -0.002) 5.241 3.762 ( 1.753 0.000 0.506) 1.825 3.792 ( -1.168 -0.000 -1.386) 1.812 3.921 ( -0.744 -0.000 -4.185) 4.251 4.015 ( -0.702 -0.000 -0.732) 1.014 4.071 ( -0.863 -0.000 3.717) 3.816 4.126 ( 0.125 0.000 5.330) 5.331 4.165 ( -3.377 -0.000 -4.278) 5.450 4.222 ( -2.745 -0.000 -4.118) 4.949 4.418 ( 2.864 0.000 1.223) 3.115 4.463 ( -0.623 -0.000 3.147) 3.208 4.581 ( -0.358 -0.000 1.888) 1.921 4.618 ( 1.325 0.000 -4.861) 5.039 4.646 ( -0.281 -0.000 -0.847) 0.893 4.734 ( -1.498 -0.000 3.451) 3.762 4.754 ( 0.661 0.000 6.725) 6.757 4.936 ( 3.012 0.000 -9.433) 9.903 5.046 ( -2.227 -0.000 1.619) 2.753 5.058 ( 1.295 0.000 8.890) 8.984 5.156 ( -0.517 -0.000 -3.857) 3.891 5.223 ( -0.563 -0.000 -0.619) 0.837 5.381 ( 3.879 0.000 -0.652) 3.934 5.390 ( -1.588 -0.000 -1.984) 2.541 5.502 ( -0.688 -0.000 2.312) 2.412 5.596 ( 4.458 0.000 0.699) 4.512 5.948 ( -2.532 -0.000 -0.298) 2.549 6.044 ( -0.813 -0.000 1.601) 1.795 6.151 ( 0.502 0.000 0.835) 0.974 6.250 ( -0.591 -0.000 -2.606) 2.672 6.277 ( 5.214 0.000 6.197) 8.099 6.575 ( 2.441 0.000 1.949) 3.124 6.647 ( -1.507 -0.000 -6.611) 6.781 6.824 ( -4.185 -0.000 -3.961) 5.763 7.307 ( 0.576 0.000 1.116) 1.255 7.458 ( 1.013 0.000 -0.597) 1.176 ======================= Grid point 25 (16/88) ======================= q-point: ( 0.57 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.104 ( 0.000 -3.231 0.000) 3.231 1.161 ( -0.000 6.003 -0.000) 6.003 1.352 ( -0.000 0.688 -0.000) 0.688 1.411 ( 0.000 -2.349 0.000) 2.349 1.681 ( -0.000 4.148 -0.000) 4.148 1.745 ( -0.000 3.177 -0.000) 3.177 1.803 ( -0.000 1.861 -0.000) 1.861 1.811 ( -0.000 6.473 -0.000) 6.473 2.022 ( -0.000 3.287 -0.000) 3.287 2.151 ( 0.000 -1.681 0.000) 1.681 2.160 ( -0.000 5.235 -0.000) 5.235 2.277 ( -0.000 0.896 -0.000) 0.896 2.449 ( 0.000 -6.309 0.000) 6.309 2.506 ( 0.000 -2.727 0.000) 2.727 2.529 ( 0.000 -0.557 0.000) 0.557 2.744 ( 0.000 -0.395 0.000) 0.395 2.771 ( -0.000 0.238 -0.000) 0.238 2.866 ( 0.000 -4.867 0.000) 4.867 2.997 ( 0.000 -0.691 0.000) 0.691 3.121 ( -0.000 1.114 -0.000) 1.114 3.192 ( -0.000 1.859 -0.000) 1.859 3.233 ( 0.000 -1.735 0.000) 1.735 3.248 ( -0.000 2.567 -0.000) 2.567 3.300 ( 0.000 -5.337 0.000) 5.337 3.537 ( 0.000 -1.674 0.000) 1.674 3.542 ( -0.000 0.061 -0.000) 0.061 3.783 ( -0.000 0.099 -0.000) 0.099 3.790 ( 0.000 -1.172 0.000) 1.172 3.887 ( -0.000 3.091 -0.000) 3.091 4.022 ( 0.000 -1.389 0.000) 1.389 4.047 ( -0.000 3.010 -0.000) 3.010 4.116 ( -0.000 4.316 -0.000) 4.316 4.142 ( -0.000 0.787 -0.000) 0.787 4.146 ( -0.000 2.039 -0.000) 2.039 4.369 ( -0.000 2.296 -0.000) 2.296 4.469 ( -0.000 0.207 -0.000) 0.207 4.476 ( -0.000 7.358 -0.000) 7.358 4.654 ( 0.000 -1.046 0.000) 1.046 4.726 ( 0.000 -6.187 0.000) 6.187 4.763 ( 0.000 -2.695 0.000) 2.695 4.801 ( -0.000 0.229 -0.000) 0.229 4.894 ( -0.000 1.979 -0.000) 1.979 5.020 ( -0.000 0.208 -0.000) 0.208 5.105 ( -0.000 1.888 -0.000) 1.888 5.159 ( 0.000 -1.916 0.000) 1.916 5.195 ( 0.000 -1.684 0.000) 1.684 5.375 ( 0.000 -0.786 0.000) 0.786 5.401 ( 0.000 -0.202 0.000) 0.202 5.588 ( 0.000 -4.344 0.000) 4.344 5.707 ( 0.000 -10.266 0.000) 10.266 5.918 ( -0.000 1.484 -0.000) 1.484 6.043 ( -0.000 1.117 -0.000) 1.117 6.129 ( -0.000 2.112 -0.000) 2.112 6.234 ( -0.000 0.468 -0.000) 0.468 6.300 ( -0.000 2.434 -0.000) 2.434 6.584 ( -0.000 1.219 -0.000) 1.219 6.605 ( -0.000 1.220 -0.000) 1.220 6.803 ( 0.000 -1.352 0.000) 1.352 7.318 ( 0.000 -0.532 0.000) 0.532 7.424 ( -0.000 3.837 -0.000) 3.837 ======================= Grid point 51 (17/88) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.336 ( 5.934 0.000 16.451) 17.488 0.354 ( 3.638 0.000 18.558) 18.912 0.715 ( -6.618 -0.000 33.983) 34.621 1.418 ( -4.424 -0.000 -8.124) 9.251 1.620 ( -1.595 -0.000 -2.151) 2.678 1.761 ( -0.161 -0.000 -1.860) 1.867 1.923 ( -5.235 -0.000 2.705) 5.893 1.999 ( 4.108 0.000 -1.936) 4.541 2.016 ( 10.508 0.000 5.398) 11.813 2.078 ( 2.266 0.000 1.751) 2.864 2.215 ( 0.343 0.000 -4.425) 4.439 2.384 ( -1.790 -0.000 0.850) 1.982 2.390 ( 0.917 0.000 -1.335) 1.619 2.543 ( -1.018 -0.000 5.379) 5.474 2.575 ( -1.791 -0.000 -4.680) 5.011 2.713 ( -3.054 -0.000 4.286) 5.263 2.761 ( 3.352 0.000 -1.263) 3.582 2.873 ( -1.017 -0.000 -2.077) 2.312 2.878 ( -2.600 -0.000 -0.970) 2.775 3.193 ( 0.383 0.000 -3.271) 3.293 3.296 ( -3.623 -0.000 -1.734) 4.017 3.298 ( 0.750 0.000 -8.586) 8.619 3.429 ( 4.593 0.000 -0.183) 4.597 3.481 ( -8.421 -0.000 -2.348) 8.742 3.578 ( -3.951 -0.000 5.491) 6.764 3.669 ( -6.109 -0.000 4.533) 7.607 3.797 ( 0.278 0.000 -2.537) 2.552 3.895 ( 0.935 0.000 -2.606) 2.769 4.009 ( 3.617 0.000 -4.195) 5.539 4.096 ( -3.095 -0.000 -4.863) 5.764 4.132 ( 0.571 0.000 3.444) 3.491 4.223 ( 3.809 0.000 -0.170) 3.812 4.235 ( 1.638 0.000 0.149) 1.645 4.312 ( 0.434 0.000 -0.405) 0.594 4.331 ( 0.273 0.000 1.164) 1.195 4.480 ( -0.577 -0.000 -1.383) 1.499 4.484 ( 3.478 0.000 2.918) 4.540 4.526 ( 5.075 0.000 2.889) 5.839 4.697 ( 3.985 0.000 5.367) 6.685 4.769 ( 1.446 0.000 -0.129) 1.452 4.851 ( -9.636 -0.000 3.342) 10.199 4.920 ( -4.259 -0.000 -7.395) 8.533 4.941 ( -4.928 -0.000 -4.536) 6.697 5.081 ( 3.468 0.000 -0.715) 3.541 5.192 ( 1.220 0.000 -0.412) 1.287 5.251 ( 0.073 0.000 -2.324) 2.325 5.256 ( -3.072 -0.000 1.390) 3.372 5.482 ( 0.397 0.000 -1.422) 1.476 5.575 ( 8.200 0.000 4.452) 9.331 5.656 ( -4.820 -0.000 5.920) 7.634 5.766 ( -12.834 -0.000 0.883) 12.864 5.984 ( -2.552 -0.000 -2.182) 3.357 6.040 ( 1.180 0.000 1.692) 2.062 6.142 ( -2.206 -0.000 4.831) 5.310 6.339 ( 2.476 0.000 -3.514) 4.299 6.447 ( 13.311 0.000 -1.884) 13.443 6.555 ( 7.481 0.000 -0.331) 7.488 6.864 ( -2.200 -0.000 -6.854) 7.198 7.215 ( 0.385 0.000 4.417) 4.433 7.310 ( -0.057 -0.000 1.435) 1.436 ======================= Grid point 52 (18/88) ======================= q-point: ( 0.14 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.577 ( 6.083 -8.673 12.671) 16.516 0.654 ( 6.974 -9.672 15.500) 19.556 1.105 ( 9.181 -18.558 20.830) 29.370 1.383 ( 0.476 -4.235 -9.446) 10.363 1.567 ( -1.999 0.970 -2.578) 3.404 1.758 ( -1.028 4.759 0.463) 4.891 1.817 ( -0.429 4.162 -3.068) 5.188 1.983 ( 0.102 1.046 -0.477) 1.154 2.059 ( -0.006 1.244 3.712) 3.915 2.169 ( 1.112 -2.396 5.191) 5.825 2.260 ( 2.399 -0.273 -1.402) 2.792 2.266 ( -0.155 5.766 0.188) 5.771 2.353 ( -0.822 4.551 -2.117) 5.086 2.403 ( -2.949 8.450 0.256) 8.953 2.600 ( -1.250 1.353 1.916) 2.658 2.669 ( -0.919 1.456 -0.362) 1.759 2.786 ( -2.173 -1.276 -1.133) 2.762 2.868 ( -7.386 -4.879 -1.022) 8.911 2.909 ( 7.056 -1.700 -1.315) 7.376 3.166 ( -5.001 2.866 -3.378) 6.681 3.217 ( 1.188 -0.986 -4.409) 4.671 3.247 ( -2.871 -1.650 -1.468) 3.622 3.406 ( 1.864 2.222 -0.231) 2.909 3.490 ( -1.417 0.062 -0.820) 1.638 3.561 ( -5.805 0.339 3.559) 6.817 3.698 ( -0.811 -2.418 3.827) 4.599 3.784 ( -0.131 -0.197 -3.140) 3.149 3.824 ( 0.835 6.702 -0.888) 6.812 3.966 ( -0.503 6.316 -3.558) 7.266 4.012 ( -0.208 3.877 1.206) 4.065 4.088 ( 1.557 0.179 0.144) 1.574 4.189 ( -2.428 -0.008 -0.000) 2.428 4.241 ( 4.004 2.795 0.659) 4.927 4.295 ( 2.437 0.206 -0.925) 2.615 4.373 ( 2.374 -1.902 -1.417) 3.356 4.453 ( -1.779 2.858 5.786) 6.694 4.521 ( -1.725 0.083 -5.379) 5.650 4.596 ( 5.632 2.579 3.431) 7.081 4.698 ( -5.897 1.087 2.551) 6.516 4.774 ( -2.264 -1.213 0.515) 2.620 4.856 ( -2.523 -3.500 -7.886) 8.989 4.878 ( 0.888 -5.485 5.947) 8.139 4.961 ( -2.773 -1.570 -1.256) 3.426 5.129 ( 3.134 0.171 1.805) 3.620 5.153 ( 1.153 3.065 1.101) 3.454 5.236 ( -0.210 -2.058 -1.528) 2.572 5.269 ( -1.426 -3.151 -1.457) 3.753 5.461 ( -1.443 -0.804 -2.173) 2.730 5.592 ( -5.057 0.088 1.137) 5.184 5.658 ( -9.056 -1.543 3.840) 9.957 5.760 ( 4.941 -2.751 7.789) 9.626 5.983 ( 0.676 -1.409 -2.142) 2.651 6.067 ( 1.130 -0.397 1.873) 2.223 6.153 ( -2.326 -0.523 4.263) 4.884 6.328 ( 0.736 0.110 -4.387) 4.450 6.487 ( 1.484 0.171 0.057) 1.495 6.669 ( 20.335 4.924 -6.020) 21.772 6.818 ( -3.021 -1.161 -8.487) 9.083 7.254 ( 0.334 -0.450 3.328) 3.375 7.332 ( 1.142 -0.971 1.202) 1.922 ======================= Grid point 53 (19/88) ======================= q-point: ( 0.29 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.836 ( 1.329 -9.025 9.235) 12.981 0.996 ( 7.178 -12.388 10.996) 18.052 1.400 ( -0.859 -0.135 -0.101) 0.875 1.460 ( -1.355 -3.945 -6.746) 7.931 1.596 ( 1.237 0.968 -6.870) 7.047 1.683 ( 6.490 -8.970 6.839) 13.014 1.797 ( 6.616 4.310 1.171) 7.983 1.927 ( -5.416 6.431 0.935) 8.459 1.993 ( -4.409 4.323 -0.297) 6.182 2.080 ( -2.761 3.471 -0.475) 4.460 2.177 ( -3.420 4.564 5.261) 7.759 2.221 ( 1.321 6.209 -1.023) 6.430 2.249 ( -0.602 1.711 5.148) 5.458 2.466 ( 9.826 -5.894 0.025) 11.458 2.564 ( -2.039 0.793 5.111) 5.560 2.660 ( -0.510 -0.322 -3.836) 3.883 2.780 ( -1.760 -0.788 -0.057) 1.929 2.887 ( -7.529 -4.743 -1.112) 8.967 2.998 ( 4.586 -1.709 0.770) 4.955 3.088 ( -3.502 0.126 -1.333) 3.750 3.177 ( -0.904 2.229 -5.248) 5.773 3.282 ( 2.932 1.356 2.151) 3.881 3.387 ( -1.279 -1.406 1.369) 2.343 3.458 ( -2.867 -0.864 -1.927) 3.561 3.513 ( -5.155 1.444 2.056) 5.735 3.662 ( 1.362 5.847 1.949) 6.312 3.716 ( 0.097 3.201 -1.098) 3.385 3.822 ( 1.101 -0.139 -5.082) 5.202 3.866 ( -0.823 1.503 -1.688) 2.405 3.916 ( -0.588 3.871 1.067) 4.058 4.123 ( -0.343 0.906 -0.956) 1.361 4.155 ( 2.782 1.437 -0.520) 3.174 4.219 ( -1.157 1.959 -0.875) 2.437 4.271 ( -1.865 2.547 -4.066) 5.148 4.332 ( -1.118 2.159 -0.513) 2.485 4.474 ( 2.081 -0.320 1.712) 2.714 4.474 ( -3.511 -1.778 1.541) 4.227 4.633 ( 3.702 0.630 0.762) 3.831 4.678 ( -2.894 -1.811 1.090) 3.583 4.794 ( -0.631 -2.438 -0.062) 2.519 4.889 ( 1.954 -3.441 -3.426) 5.234 4.931 ( -1.356 1.190 -1.194) 2.163 4.995 ( 0.741 -1.645 3.834) 4.237 5.094 ( 0.517 2.012 5.118) 5.523 5.186 ( 2.032 -0.723 1.601) 2.686 5.222 ( -0.228 0.869 -5.740) 5.810 5.354 ( 0.639 -4.622 0.324) 4.677 5.474 ( 0.419 -2.059 -1.578) 2.628 5.558 ( -5.070 -0.990 1.380) 5.346 5.652 ( -3.230 -1.262 2.588) 4.326 5.875 ( 4.801 -0.718 5.596) 7.408 5.995 ( -0.153 0.360 -0.466) 0.608 6.085 ( 1.625 0.540 -0.450) 1.771 6.165 ( -2.413 -0.683 2.745) 3.718 6.302 ( 0.166 0.393 -3.118) 3.147 6.514 ( 2.672 -1.632 -1.578) 3.506 6.687 ( 9.706 4.061 -3.011) 10.944 6.763 ( -3.560 -1.411 -5.473) 6.680 7.273 ( 0.017 0.296 2.786) 2.802 7.357 ( 0.623 -0.010 0.358) 0.718 ======================= Grid point 54 (20/88) ======================= q-point: ( 0.43 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( -2.704 -2.248 5.775) 6.761 1.306 ( -0.402 -8.431 3.969) 9.327 1.341 ( 0.563 -1.269 5.617) 5.786 1.494 ( -0.625 -1.823 -3.428) 3.932 1.614 ( 1.453 -4.008 -3.145) 5.297 1.702 ( -4.014 7.146 -1.004) 8.258 1.779 ( 0.118 1.835 0.073) 1.840 1.793 ( 4.515 0.952 -2.006) 5.032 1.901 ( -2.286 1.134 -1.141) 2.795 2.038 ( -0.145 2.540 2.828) 3.804 2.115 ( -0.980 3.742 0.639) 3.920 2.137 ( 1.197 1.970 5.771) 6.214 2.410 ( 0.807 -3.998 5.729) 7.033 2.536 ( -3.870 3.822 -1.175) 5.565 2.577 ( 0.169 -1.620 1.967) 2.554 2.687 ( 9.193 -3.814 -2.861) 10.356 2.758 ( -3.791 0.340 -0.798) 3.889 2.898 ( -3.843 -2.951 -0.204) 4.850 2.965 ( -7.359 4.258 0.514) 8.517 3.088 ( 0.367 -2.314 -1.832) 2.974 3.128 ( 5.246 2.320 0.729) 5.782 3.284 ( 3.816 1.160 1.275) 4.188 3.404 ( -7.935 0.474 2.358) 8.291 3.449 ( -3.261 -3.211 -0.234) 4.583 3.516 ( 5.098 -2.438 1.569) 5.865 3.627 ( 1.857 2.414 -2.041) 3.666 3.649 ( -0.626 0.997 -0.437) 1.255 3.788 ( -1.229 3.081 -1.467) 3.628 3.804 ( 1.240 -0.699 -0.411) 1.481 3.923 ( 0.692 -0.396 0.399) 0.892 4.061 ( -0.049 2.891 -2.132) 3.593 4.123 ( 1.667 1.663 -0.891) 2.518 4.168 ( -1.176 1.139 -2.000) 2.584 4.234 ( -1.022 -0.314 -0.754) 1.308 4.325 ( -0.581 -1.228 2.342) 2.708 4.486 ( 0.570 -0.290 -2.517) 2.597 4.512 ( -1.590 -3.352 1.233) 3.909 4.644 ( 0.300 -0.218 -0.236) 0.440 4.709 ( 0.147 -2.345 -0.956) 2.536 4.817 ( -2.368 -0.447 0.079) 2.411 4.854 ( -0.286 5.515 -4.038) 6.841 4.911 ( -0.280 0.856 -0.883) 1.261 4.999 ( 0.040 0.768 0.853) 1.148 5.180 ( 0.080 -1.771 -1.708) 2.462 5.192 ( 4.596 -1.320 5.412) 7.222 5.217 ( 1.787 -1.126 1.867) 2.819 5.393 ( -1.508 -0.225 -1.478) 2.124 5.500 ( 0.581 -0.185 0.150) 0.628 5.560 ( -2.122 -1.418 1.132) 2.792 5.663 ( 0.665 0.398 1.770) 1.933 5.941 ( -3.188 3.042 -0.401) 4.425 5.949 ( 4.116 0.318 4.313) 5.970 6.072 ( 2.823 1.546 -2.401) 4.016 6.164 ( -2.277 -0.391 0.533) 2.371 6.299 ( 1.017 -0.814 -1.012) 1.649 6.541 ( 2.028 -0.537 -5.932) 6.292 6.682 ( -3.684 -1.988 -0.760) 4.255 6.772 ( 3.343 -1.732 1.249) 3.966 7.274 ( -0.459 1.105 1.814) 2.173 7.350 ( -0.192 0.605 -0.641) 0.902 ======================= Grid point 55 (21/88) ======================= q-point: (-0.43 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.922 ( -7.271 7.719 7.631) 13.064 1.206 ( -9.514 14.115 0.132) 17.023 1.421 ( -0.071 -6.087 3.836) 7.195 1.576 ( 2.556 -5.532 -1.681) 6.321 1.682 ( -0.303 -5.386 -0.260) 5.401 1.728 ( 3.845 -4.162 4.072) 6.978 1.770 ( 0.526 1.256 -0.259) 1.386 1.872 ( 6.708 -5.294 -0.377) 8.553 1.944 ( -0.901 -7.304 -3.812) 8.288 1.983 ( 2.489 2.795 2.317) 4.401 2.055 ( -8.762 7.115 -2.428) 11.545 2.155 ( 0.848 0.170 2.813) 2.943 2.225 ( -8.469 6.456 2.518) 10.943 2.442 ( -3.114 3.019 0.157) 4.340 2.584 ( -5.343 4.001 0.782) 6.721 2.754 ( 4.272 -2.026 -0.659) 4.774 2.816 ( -2.077 0.453 -0.026) 2.126 2.882 ( 5.379 -1.326 0.603) 5.573 2.921 ( -1.983 -2.175 -0.138) 2.946 3.095 ( 2.146 2.583 -0.160) 3.362 3.159 ( -0.192 -2.528 0.547) 2.594 3.323 ( 5.211 0.699 -0.931) 5.340 3.367 ( -5.443 -2.328 2.198) 6.314 3.472 ( -1.910 -1.314 2.765) 3.609 3.575 ( 3.312 1.453 0.309) 3.630 3.620 ( 0.634 -3.649 -3.479) 5.082 3.680 ( 0.999 -2.227 6.624) 7.059 3.777 ( -0.026 -2.498 -2.399) 3.463 3.854 ( 2.315 -2.314 0.644) 3.336 3.919 ( 0.775 -1.267 0.306) 1.516 4.062 ( 3.030 1.580 -3.396) 4.817 4.107 ( -0.015 -1.279 -1.041) 1.649 4.161 ( 3.385 -0.575 -0.833) 3.533 4.215 ( -1.427 -0.305 -0.629) 1.589 4.382 ( -0.910 -3.271 2.320) 4.112 4.467 ( -0.597 0.192 -4.388) 4.432 4.548 ( 0.244 0.144 -3.875) 3.885 4.654 ( -0.512 -0.498 2.728) 2.820 4.691 ( -4.775 4.298 -1.556) 6.610 4.745 ( 0.476 -1.221 0.128) 1.317 4.802 ( -1.333 -0.019 -1.155) 1.764 4.866 ( -0.191 2.596 -0.407) 2.635 4.999 ( 0.257 -0.324 0.410) 0.583 5.201 ( 6.551 4.165 2.406) 8.127 5.212 ( -0.509 -1.273 1.485) 2.022 5.319 ( -1.981 0.120 -5.230) 5.594 5.359 ( 2.468 -1.436 4.220) 5.095 5.473 ( -2.961 2.544 0.628) 3.954 5.560 ( 0.579 0.944 -0.000) 1.107 5.670 ( 3.447 2.211 2.255) 4.675 5.826 ( -4.752 4.156 -1.294) 6.444 6.009 ( 4.450 0.716 3.657) 5.804 6.065 ( 1.974 0.542 -1.304) 2.427 6.149 ( -1.380 -0.010 -0.739) 1.566 6.326 ( 1.984 -0.890 -0.270) 2.191 6.511 ( -0.052 0.465 -5.253) 5.274 6.676 ( -9.222 -5.191 -3.276) 11.078 6.882 ( 3.738 -3.816 5.348) 7.558 7.240 ( -1.849 1.831 -0.437) 2.639 7.335 ( 0.183 0.607 -0.427) 0.765 ======================= Grid point 56 (22/88) ======================= q-point: (-0.29 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.728 ( -8.598 11.676 11.511) 18.514 0.838 ( -8.554 17.526 1.949) 19.600 1.457 ( -13.771 16.216 4.082) 21.662 1.577 ( -4.015 6.726 -1.489) 7.974 1.635 ( -3.976 1.509 -0.949) 4.358 1.752 ( 2.724 -3.006 0.449) 4.081 1.768 ( -1.441 -5.190 -0.080) 5.387 1.888 ( 5.218 -3.692 1.803) 6.642 1.986 ( 3.118 -0.553 -3.748) 4.907 2.081 ( 0.725 -8.688 -0.599) 8.739 2.111 ( 5.107 -3.742 1.213) 6.446 2.183 ( 1.424 -3.142 -0.113) 3.451 2.264 ( -2.721 -7.025 2.307) 7.878 2.358 ( -5.110 0.059 -3.060) 5.956 2.494 ( -1.964 0.302 5.671) 6.009 2.753 ( -7.340 0.539 1.962) 7.617 2.810 ( 5.031 0.154 -1.071) 5.146 2.923 ( -4.176 -2.458 -2.114) 5.286 2.967 ( 9.740 3.621 1.005) 10.440 3.075 ( 1.314 -0.531 0.460) 1.491 3.195 ( 0.553 -1.839 -1.478) 2.424 3.325 ( 1.712 1.078 -0.676) 2.133 3.402 ( -5.141 -4.290 3.509) 7.559 3.474 ( -1.319 0.780 1.821) 2.380 3.601 ( 1.586 0.801 3.352) 3.794 3.706 ( 3.085 -4.690 -1.446) 5.797 3.745 ( -2.821 -1.603 1.407) 3.537 3.846 ( 4.309 -3.297 2.893) 6.149 3.906 ( 1.340 -1.771 0.580) 2.296 3.944 ( -2.406 1.626 -6.049) 6.710 4.035 ( 2.519 -3.935 0.547) 4.704 4.158 ( 1.124 -2.416 -4.718) 5.419 4.205 ( 5.766 -0.218 0.411) 5.785 4.246 ( 1.608 -2.665 -0.717) 3.194 4.382 ( 0.386 5.136 -7.324) 8.954 4.420 ( -4.196 -2.926 -1.019) 5.216 4.463 ( -1.384 1.552 -3.854) 4.379 4.646 ( 0.317 0.993 2.234) 2.465 4.693 ( -0.987 1.926 13.736) 13.906 4.757 ( -1.018 -3.046 -3.458) 4.719 4.819 ( -1.093 -0.156 2.084) 2.359 4.836 ( 2.885 -0.352 -1.167) 3.132 5.028 ( 1.742 -1.739 0.073) 2.462 5.163 ( 3.925 6.778 1.280) 7.937 5.193 ( -4.629 -0.467 -6.311) 7.840 5.286 ( 3.735 0.455 1.756) 4.152 5.353 ( -1.988 6.011 -0.331) 6.340 5.442 ( 0.818 -1.088 0.064) 1.363 5.540 ( 2.020 2.299 -0.408) 3.087 5.670 ( 6.802 4.691 3.101) 8.826 5.719 ( -6.051 1.946 2.401) 6.794 6.031 ( 2.050 1.561 1.410) 2.937 6.059 ( 1.191 1.193 -1.145) 2.038 6.139 ( -0.801 0.326 1.648) 1.861 6.352 ( 3.043 0.090 -1.402) 3.352 6.479 ( -0.369 0.030 -2.902) 2.925 6.670 ( -13.873 -8.145 -5.482) 16.995 7.000 ( 0.190 -3.712 2.004) 4.223 7.188 ( -1.590 1.209 -0.458) 2.049 7.322 ( 0.400 1.104 0.226) 1.196 ======================= Grid point 57 (23/88) ======================= q-point: (-0.14 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.480 ( -6.891 16.206 8.613) 19.603 0.499 ( -9.058 14.177 10.584) 19.876 0.889 ( -17.831 24.337 18.080) 35.173 1.524 ( -6.427 1.524 -4.324) 7.895 1.602 ( 0.010 -1.917 0.527) 1.988 1.803 ( -2.633 -1.381 -3.134) 4.320 1.877 ( 3.911 -4.317 1.610) 6.043 1.943 ( -1.242 0.358 2.622) 2.923 1.964 ( 4.168 2.411 0.292) 4.824 2.064 ( 1.302 3.280 -2.294) 4.209 2.220 ( 2.385 -2.538 -2.280) 4.162 2.311 ( -1.502 -7.701 0.799) 7.887 2.382 ( 0.312 -4.862 0.510) 4.898 2.418 ( 4.266 -5.963 1.139) 7.420 2.576 ( 0.005 -4.171 0.886) 4.264 2.700 ( -4.973 -0.287 2.170) 5.434 2.814 ( 2.869 3.620 -1.561) 4.876 2.901 ( -6.486 -2.597 -3.304) 7.729 2.926 ( 4.318 6.385 0.813) 7.750 3.184 ( 5.080 -6.649 -0.430) 8.379 3.217 ( 2.310 0.404 -2.512) 3.437 3.328 ( -0.406 -1.253 -2.158) 2.528 3.440 ( -4.075 0.600 1.035) 4.247 3.488 ( -5.948 -7.631 6.047) 11.409 3.591 ( -2.682 1.794 5.041) 5.986 3.720 ( -4.237 2.178 3.521) 5.924 3.788 ( 2.190 -1.804 -1.032) 3.019 3.836 ( 0.317 -2.784 -3.205) 4.257 3.938 ( 1.971 -0.010 2.450) 3.145 4.035 ( 4.031 -1.854 -1.176) 4.590 4.095 ( -0.957 -7.392 -4.443) 8.678 4.165 ( 2.993 -1.009 -3.357) 4.609 4.229 ( 4.128 3.112 -4.718) 6.999 4.257 ( -1.231 -0.385 -0.798) 1.517 4.335 ( 0.012 0.145 3.350) 3.353 4.440 ( 1.736 -1.485 -0.787) 2.416 4.462 ( 0.152 -3.197 -0.518) 3.243 4.623 ( -0.654 2.319 -0.575) 2.477 4.682 ( 0.312 5.989 7.910) 9.927 4.769 ( 0.653 0.728 -0.350) 1.039 4.866 ( -2.980 -3.005 -0.478) 4.259 4.912 ( 5.559 -3.442 6.378) 9.134 5.047 ( 1.319 2.029 -3.534) 4.284 5.095 ( 1.274 1.377 -5.329) 5.650 5.133 ( -3.435 -0.480 -0.074) 3.469 5.242 ( 1.200 2.878 -0.971) 3.265 5.304 ( 0.159 1.850 1.626) 2.468 5.454 ( 2.386 -0.567 -1.848) 3.071 5.527 ( 4.733 2.871 2.615) 6.123 5.671 ( 1.175 1.688 4.420) 4.875 5.691 ( 9.417 4.591 6.779) 12.478 6.018 ( 0.709 1.403 -0.572) 1.673 6.036 ( 0.685 1.154 -0.266) 1.368 6.138 ( -1.494 0.680 4.476) 4.768 6.358 ( 2.468 0.444 -3.567) 4.360 6.462 ( -1.046 0.082 -2.671) 2.870 6.632 ( -21.242 -7.856 -8.036) 24.032 6.980 ( -4.882 1.540 -8.661) 10.061 7.194 ( 0.823 0.042 4.245) 4.324 7.309 ( 0.459 1.009 1.083) 1.549 ======================= Grid point 59 (24/88) ======================= q-point: ( 0.14 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.730 ( 12.778 0.000 16.146) 20.590 0.748 ( 9.796 0.000 17.050) 19.664 1.173 ( 18.456 0.000 20.585) 27.647 1.301 ( 3.592 0.000 -9.656) 10.303 1.539 ( -2.148 -0.000 -5.073) 5.509 1.796 ( -5.668 -0.000 -5.484) 7.887 1.827 ( 7.198 0.000 0.111) 7.199 2.004 ( 0.200 0.000 0.148) 0.249 2.109 ( -7.497 -0.000 8.543) 11.366 2.175 ( -1.745 -0.000 3.550) 3.956 2.247 ( 3.635 0.000 -0.548) 3.676 2.309 ( -1.648 -0.000 -4.138) 4.454 2.367 ( -1.595 -0.000 -0.933) 1.848 2.510 ( 0.772 0.000 -5.642) 5.694 2.525 ( -5.249 -0.000 5.888) 7.888 2.705 ( -6.640 -0.000 -2.451) 7.078 2.743 ( -0.915 -0.000 0.093) 0.919 2.755 ( -0.438 -0.000 2.913) 2.946 2.974 ( 10.855 0.000 -5.047) 11.971 3.098 ( -10.100 -0.000 -2.741) 10.466 3.177 ( 0.263 0.000 1.509) 1.532 3.194 ( 1.168 0.000 -11.163) 11.224 3.383 ( -5.372 -0.000 -0.616) 5.408 3.500 ( -2.206 -0.000 0.353) 2.234 3.582 ( 1.665 0.000 3.132) 3.547 3.654 ( -0.399 -0.000 2.257) 2.292 3.767 ( -1.240 -0.000 -0.177) 1.253 3.869 ( -0.937 -0.000 -1.945) 2.159 3.990 ( -1.676 -0.000 -2.713) 3.189 4.045 ( 0.053 0.000 -0.020) 0.057 4.145 ( -2.862 -0.000 2.699) 3.934 4.242 ( -2.064 -0.000 1.379) 2.482 4.274 ( 1.971 0.000 1.045) 2.231 4.324 ( 0.389 0.000 0.121) 0.407 4.377 ( -5.320 -0.000 -3.024) 6.119 4.405 ( 5.177 0.000 0.630) 5.215 4.597 ( -1.714 -0.000 -0.229) 1.729 4.610 ( 2.324 0.000 1.229) 2.629 4.669 ( 0.037 0.000 -3.240) 3.240 4.702 ( -9.114 -0.000 4.857) 10.327 4.775 ( 0.157 0.000 -2.257) 2.262 4.900 ( 5.057 0.000 8.134) 9.578 4.905 ( -1.588 -0.000 -1.397) 2.115 5.155 ( 3.317 0.000 -1.433) 3.614 5.156 ( -3.039 -0.000 0.613) 3.100 5.230 ( 5.497 0.000 -2.304) 5.961 5.246 ( -0.838 -0.000 0.898) 1.229 5.374 ( -7.423 -0.000 0.855) 7.472 5.547 ( -6.319 -0.000 0.116) 6.321 5.604 ( -2.403 -0.000 2.535) 3.493 5.895 ( 11.960 0.000 9.865) 15.504 5.968 ( 1.254 0.000 -0.963) 1.581 6.091 ( 1.089 0.000 2.787) 2.992 6.150 ( -2.619 -0.000 3.586) 4.441 6.299 ( -0.529 -0.000 -5.174) 5.201 6.502 ( 0.869 0.000 0.663) 1.093 6.733 ( -2.251 -0.000 -8.148) 8.453 6.834 ( 13.827 0.000 -12.862) 18.884 7.273 ( 0.729 0.000 3.398) 3.475 7.346 ( 2.964 0.000 0.607) 3.026 ======================= Grid point 60 (25/88) ======================= q-point: ( 0.29 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( 7.357 1.671 15.891) 17.591 0.984 ( 9.652 -5.628 13.953) 17.875 1.331 ( 4.631 -4.167 -7.125) 9.465 1.420 ( -2.110 0.787 0.190) 2.260 1.582 ( 11.409 -4.200 -0.902) 12.191 1.678 ( 1.404 1.305 -3.985) 4.422 1.895 ( 5.990 0.434 -2.361) 6.453 1.999 ( -1.527 3.696 6.490) 7.623 2.036 ( -4.825 1.676 5.081) 7.205 2.092 ( -9.528 6.083 -2.547) 11.587 2.203 ( -1.095 -1.356 4.764) 5.072 2.290 ( -4.868 4.879 2.226) 7.243 2.366 ( 0.648 4.005 1.415) 4.297 2.446 ( 5.161 -3.573 -2.601) 6.795 2.572 ( -3.618 -2.087 0.505) 4.207 2.633 ( 1.578 1.205 -3.708) 4.206 2.714 ( -1.792 -0.098 -0.019) 1.795 2.822 ( 2.333 -1.946 1.426) 3.356 3.005 ( -7.481 -1.730 -1.455) 7.815 3.045 ( 7.135 0.023 -1.031) 7.210 3.150 ( 2.854 -0.950 -9.699) 10.155 3.257 ( -0.374 -5.178 3.989) 6.547 3.348 ( -5.044 -0.801 -0.336) 5.118 3.435 ( -4.472 2.913 0.069) 5.337 3.550 ( -0.050 3.060 0.962) 3.208 3.720 ( -2.157 -2.813 -2.712) 4.463 3.769 ( 1.213 -0.680 2.889) 3.207 3.822 ( -1.218 3.372 1.712) 3.973 3.896 ( -1.086 5.750 -3.057) 6.602 4.052 ( -0.493 5.103 3.710) 6.329 4.083 ( -1.208 3.548 -0.422) 3.771 4.147 ( -2.887 -1.018 0.833) 3.173 4.254 ( -3.642 2.714 -4.978) 6.738 4.272 ( -1.783 2.468 -1.461) 3.377 4.386 ( -1.197 -3.278 -0.234) 3.498 4.415 ( 2.092 4.357 -2.638) 5.506 4.547 ( 1.732 2.032 5.174) 5.822 4.576 ( -3.508 0.121 -5.281) 6.341 4.716 ( -0.889 -0.624 4.415) 4.546 4.738 ( 0.628 -3.047 2.039) 3.720 4.799 ( 0.011 -3.803 -0.731) 3.872 4.909 ( -0.367 -2.300 -2.257) 3.243 5.000 ( 3.554 -1.791 6.460) 7.588 5.139 ( -2.575 -0.577 -3.399) 4.304 5.165 ( -1.023 0.743 1.425) 1.905 5.211 ( -0.421 0.062 -0.647) 0.774 5.336 ( 4.860 -1.227 2.093) 5.431 5.391 ( 2.864 -5.872 -2.545) 7.012 5.498 ( -5.238 -1.174 -0.064) 5.368 5.616 ( -1.146 -1.852 1.497) 2.643 5.959 ( 2.483 1.336 3.486) 4.484 6.045 ( 5.581 1.421 5.200) 7.759 6.115 ( 2.849 0.105 2.624) 3.875 6.148 ( -2.332 -0.293 1.868) 3.003 6.269 ( -1.101 -0.780 -4.472) 4.671 6.514 ( 1.897 0.023 -0.379) 1.935 6.672 ( -2.470 -0.353 -7.302) 7.716 6.814 ( 6.215 3.092 -7.425) 10.164 7.295 ( 0.520 0.154 2.733) 2.786 7.372 ( 2.190 0.544 -0.236) 2.269 ======================= Grid point 61 (26/88) ======================= q-point: ( 0.43 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( 3.219 -0.145 11.446) 11.891 1.233 ( 4.382 -4.706 6.910) 9.439 1.342 ( -5.634 -1.338 4.228) 7.170 1.424 ( 2.779 -3.857 -3.149) 5.702 1.560 ( 5.093 -0.097 -8.247) 9.693 1.697 ( -4.907 1.902 -2.372) 5.773 1.839 ( -5.630 7.758 0.069) 9.586 1.869 ( -1.752 2.384 -2.095) 3.625 1.948 ( -0.519 4.387 0.430) 4.439 2.064 ( 0.188 2.946 2.405) 3.808 2.195 ( -2.383 3.526 3.586) 5.565 2.261 ( -0.838 5.858 3.251) 6.752 2.376 ( 8.580 -8.344 6.676) 13.704 2.519 ( -1.153 -0.847 -1.895) 2.374 2.575 ( -1.526 -0.718 1.336) 2.151 2.672 ( 3.029 -3.637 -2.583) 5.392 2.729 ( 6.609 -0.897 -0.715) 6.707 2.865 ( 1.374 -0.716 -0.874) 1.779 2.984 ( -5.233 0.108 3.074) 6.070 3.041 ( 0.401 1.987 -3.766) 4.277 3.180 ( 5.142 -1.969 -2.748) 6.154 3.321 ( -5.862 -1.565 2.330) 6.499 3.340 ( -3.157 -1.446 1.265) 3.696 3.390 ( 0.340 -0.930 3.740) 3.869 3.520 ( 0.982 -0.213 -1.998) 2.237 3.686 ( -1.564 2.326 1.280) 3.081 3.722 ( 0.811 6.549 -3.292) 7.374 3.780 ( -0.679 0.716 3.315) 3.459 3.830 ( -1.560 2.112 -1.615) 3.083 3.954 ( 2.549 3.041 2.257) 4.565 4.076 ( -2.488 1.108 -3.103) 4.129 4.100 ( -3.951 -0.723 -2.140) 4.551 4.168 ( -2.264 0.015 -2.700) 3.523 4.229 ( -1.438 0.553 -0.276) 1.566 4.320 ( 0.440 3.960 -1.663) 4.318 4.431 ( -1.152 -3.279 1.740) 3.886 4.483 ( -2.707 1.406 -3.595) 4.715 4.618 ( 3.979 -1.671 -3.239) 5.396 4.742 ( 0.274 2.130 9.064) 9.315 4.773 ( -1.985 -2.263 -0.915) 3.146 4.863 ( -2.231 -2.981 -1.828) 4.148 4.917 ( -0.420 2.415 0.042) 2.452 5.040 ( 0.697 1.842 1.858) 2.707 5.104 ( -2.364 -2.815 -2.388) 4.383 5.184 ( -0.274 -1.906 0.336) 1.954 5.240 ( 2.719 -2.421 1.000) 3.775 5.376 ( 0.511 -1.472 -0.292) 1.585 5.456 ( -3.543 -1.501 0.069) 3.849 5.562 ( 7.158 -2.338 0.378) 7.539 5.677 ( 3.549 -3.090 0.905) 4.792 5.977 ( -0.506 1.536 2.213) 2.741 6.025 ( -0.063 2.877 3.653) 4.651 6.140 ( -1.989 -0.402 0.221) 2.041 6.144 ( 5.420 3.184 0.599) 6.315 6.264 ( -0.864 -1.943 -2.017) 2.931 6.520 ( 1.842 0.580 -3.590) 4.076 6.614 ( -3.043 0.049 -4.622) 5.534 6.803 ( 3.602 -0.202 -0.133) 3.611 7.307 ( 0.634 1.067 2.294) 2.608 7.356 ( -0.324 1.268 -1.091) 1.704 ======================= Grid point 62 (27/88) ======================= q-point: (-0.43 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( -3.666 4.802 11.347) 12.855 1.281 ( -1.288 -3.689 0.887) 4.007 1.379 ( -5.095 5.989 2.325) 8.200 1.509 ( 2.993 -5.105 1.101) 6.019 1.602 ( 2.825 -2.938 -2.797) 4.943 1.647 ( -3.830 -6.569 0.683) 7.635 1.728 ( -3.886 0.377 1.046) 4.041 1.847 ( -0.324 -3.640 -0.359) 3.672 1.882 ( 4.101 2.736 -4.355) 6.578 2.018 ( -2.484 0.574 -0.333) 2.571 2.091 ( -0.005 5.768 -2.362) 6.233 2.228 ( -0.491 2.673 6.644) 7.178 2.385 ( -5.114 11.780 1.552) 12.935 2.492 ( 0.244 2.598 1.289) 2.911 2.595 ( -1.597 0.026 0.873) 1.820 2.747 ( 3.311 -1.910 0.493) 3.854 2.824 ( 1.324 0.183 -1.488) 2.000 2.886 ( 4.774 -1.797 -2.373) 5.626 2.916 ( 3.011 1.737 2.770) 4.445 3.060 ( 0.041 -3.853 -2.279) 4.477 3.220 ( 2.199 1.721 2.231) 3.574 3.296 ( -6.268 0.445 2.666) 6.827 3.349 ( 0.665 -1.066 0.300) 1.292 3.452 ( 1.661 -2.987 3.587) 4.954 3.547 ( 0.937 -2.375 -2.807) 3.795 3.609 ( 0.085 1.354 -3.850) 4.082 3.686 ( -2.739 -0.169 5.291) 5.960 3.753 ( -0.217 2.038 -1.684) 2.653 3.819 ( 0.851 -3.069 2.759) 4.214 3.951 ( 1.910 2.348 -1.581) 3.414 4.028 ( 0.186 -2.963 -3.774) 4.802 4.105 ( 0.030 0.659 0.312) 0.730 4.163 ( -1.936 -2.249 -0.466) 3.004 4.204 ( 1.957 1.374 0.262) 2.405 4.294 ( -4.423 -3.289 -1.410) 5.690 4.424 ( -1.072 -0.652 -6.960) 7.072 4.510 ( 1.823 -3.226 1.338) 3.940 4.641 ( 3.004 0.237 -1.222) 3.251 4.699 ( -4.660 3.328 -5.227) 7.753 4.787 ( -3.531 0.355 2.725) 4.475 4.810 ( 0.925 2.879 7.066) 7.686 4.897 ( -0.505 0.963 0.959) 1.450 5.005 ( -0.767 1.059 0.367) 1.358 5.172 ( -1.490 -0.954 -2.537) 3.094 5.197 ( 0.512 -5.645 -3.554) 6.690 5.334 ( 2.699 -1.197 4.291) 5.209 5.380 ( 0.351 0.607 -0.430) 0.823 5.452 ( -3.198 -1.054 0.225) 3.375 5.627 ( 4.919 1.039 0.947) 5.116 5.757 ( 6.687 0.867 0.161) 6.744 5.867 ( -4.027 6.194 -0.420) 7.400 6.062 ( 0.239 -1.696 3.359) 3.771 6.123 ( 3.662 3.344 1.393) 5.151 6.136 ( 0.663 -0.211 -1.362) 1.530 6.297 ( -0.211 -3.545 -1.566) 3.881 6.478 ( -0.273 1.662 -4.544) 4.846 6.561 ( -3.637 0.378 -2.727) 4.562 6.876 ( 2.159 -2.959 3.719) 5.220 7.268 ( -1.023 3.267 -0.481) 3.457 7.342 ( -0.112 -0.088 0.272) 0.307 ======================= Grid point 63 (28/88) ======================= q-point: (-0.29 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( -6.158 9.861 12.693) 17.213 1.106 ( -2.813 15.574 3.211) 16.149 1.431 ( -1.812 -8.180 -0.027) 8.378 1.593 ( 2.934 -2.568 -2.254) 4.504 1.659 ( -4.574 -0.111 -2.452) 5.191 1.671 ( -2.684 0.004 0.086) 2.685 1.829 ( -2.413 -11.623 1.996) 12.038 1.874 ( -1.248 11.918 -5.015) 12.991 1.894 ( 2.155 -2.702 -3.239) 4.737 2.005 ( 5.903 -6.079 1.082) 8.542 2.062 ( 2.661 -4.150 -0.040) 4.929 2.135 ( -7.558 1.676 3.189) 8.373 2.215 ( 0.015 4.732 6.205) 7.803 2.420 ( 1.611 7.184 1.306) 7.477 2.539 ( -3.791 3.006 4.785) 6.805 2.730 ( -3.816 1.472 0.279) 4.100 2.834 ( 2.455 0.174 -0.753) 2.574 2.897 ( 1.484 0.598 -0.521) 1.683 3.010 ( 5.804 -3.296 -2.389) 7.089 3.117 ( 2.358 -1.323 -1.219) 2.966 3.176 ( -0.690 2.532 2.084) 3.351 3.295 ( -3.466 -1.773 1.586) 4.204 3.355 ( -2.933 -0.363 1.368) 3.256 3.502 ( 1.629 0.396 1.229) 2.078 3.590 ( 0.819 -3.182 -3.441) 4.758 3.661 ( 0.749 -1.481 0.827) 1.855 3.681 ( -1.725 -3.681 1.481) 4.327 3.768 ( 0.486 -5.183 -1.713) 5.480 3.878 ( -2.000 -0.886 0.379) 2.220 3.933 ( 0.369 1.094 -2.332) 2.602 4.064 ( 0.668 -1.651 -2.727) 3.257 4.097 ( 3.431 -0.792 1.108) 3.692 4.187 ( 0.563 -2.684 -1.200) 2.994 4.264 ( 5.716 -1.594 1.909) 6.234 4.310 ( -4.871 -3.886 -0.782) 6.280 4.403 ( 1.971 0.031 -5.568) 5.906 4.499 ( -0.899 4.939 -3.558) 6.153 4.620 ( -3.548 -2.941 -1.195) 4.761 4.681 ( 1.641 -1.513 2.227) 3.153 4.751 ( 0.181 0.842 0.285) 0.907 4.833 ( -0.776 1.321 7.793) 7.942 4.892 ( 1.556 1.100 4.435) 4.827 5.006 ( -0.034 -1.095 -0.092) 1.099 5.124 ( -2.200 0.246 -6.852) 7.201 5.254 ( -1.085 1.068 -3.296) 3.631 5.317 ( 0.619 0.527 -0.588) 1.003 5.414 ( -0.937 0.495 0.149) 1.071 5.429 ( 0.148 0.664 3.229) 3.300 5.632 ( 5.003 3.380 0.758) 6.085 5.723 ( -6.185 3.926 1.314) 7.442 5.788 ( 4.924 1.125 0.209) 5.056 6.078 ( 0.792 0.530 -1.128) 1.477 6.102 ( 0.762 2.520 0.441) 2.669 6.154 ( 0.695 0.089 3.176) 3.253 6.370 ( 1.188 -5.138 -3.631) 6.402 6.412 ( -1.224 2.248 -2.390) 3.502 6.513 ( -1.729 0.569 -1.150) 2.153 6.949 ( -1.774 -2.223 0.891) 2.980 7.209 ( 0.110 1.715 0.371) 1.758 7.343 ( 0.158 0.406 0.738) 0.857 ======================= Grid point 64 (29/88) ======================= q-point: (-0.14 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.747 ( -4.312 12.608 12.125) 18.016 0.816 ( -0.332 17.924 5.974) 18.896 1.363 ( -1.576 20.598 8.383) 22.294 1.513 ( 0.402 5.043 -4.709) 6.911 1.597 ( -2.031 2.022 0.465) 2.904 1.681 ( -3.087 -5.737 -5.792) 8.717 1.729 ( 1.043 -5.956 -2.386) 6.500 1.973 ( -1.862 -2.341 3.436) 4.556 2.031 ( 3.504 -1.417 0.208) 3.785 2.093 ( -0.252 -8.167 0.050) 8.171 2.185 ( -1.491 0.804 3.577) 3.957 2.229 ( -1.198 -10.337 -0.467) 10.417 2.239 ( 2.240 -8.882 0.389) 9.168 2.304 ( 3.025 5.852 0.108) 6.589 2.536 ( -1.997 -1.791 6.278) 6.827 2.682 ( -2.335 1.021 1.039) 2.752 2.828 ( -0.521 0.134 -1.811) 1.889 2.883 ( 2.586 2.329 -0.897) 3.594 3.052 ( -2.739 4.363 -1.271) 5.306 3.113 ( 4.034 -2.649 -2.924) 5.643 3.217 ( 1.856 -2.827 0.356) 3.401 3.287 ( -2.727 -0.022 0.092) 2.729 3.343 ( -4.810 -1.890 4.024) 6.549 3.507 ( 1.517 1.088 -0.828) 2.043 3.610 ( -4.948 1.298 2.903) 5.882 3.651 ( -2.318 -5.072 -2.348) 6.051 3.761 ( -0.237 -1.940 -3.927) 4.387 3.823 ( -0.578 1.244 0.302) 1.405 3.904 ( 1.384 -5.691 -3.409) 6.777 3.927 ( -0.116 -4.155 -0.352) 4.172 4.112 ( 3.704 2.191 -3.951) 5.843 4.115 ( 1.187 -2.349 -0.148) 2.636 4.230 ( -0.409 -2.029 0.185) 2.078 4.311 ( 4.649 2.739 -3.342) 6.347 4.357 ( -3.384 -5.005 1.993) 6.362 4.396 ( 2.261 2.209 2.268) 3.890 4.460 ( 5.504 -2.093 1.715) 6.133 4.599 ( -3.776 0.215 -4.650) 5.994 4.704 ( -3.646 -0.592 4.878) 6.119 4.794 ( 1.539 0.193 0.537) 1.642 4.881 ( 1.600 -3.164 6.472) 7.379 4.912 ( 2.063 1.810 4.072) 4.911 4.993 ( -2.709 0.348 -7.118) 7.624 5.086 ( 0.550 -1.113 -2.151) 2.483 5.155 ( -0.761 3.436 -2.158) 4.128 5.304 ( -1.949 1.331 -2.397) 3.364 5.347 ( 0.244 4.628 0.220) 4.640 5.458 ( 1.333 -0.297 0.899) 1.635 5.625 ( 0.996 2.309 1.444) 2.900 5.652 ( -2.885 -0.292 4.082) 5.008 5.805 ( 0.162 1.370 1.793) 2.262 6.045 ( -2.019 2.502 -2.391) 4.006 6.066 ( 1.081 1.034 -0.173) 1.506 6.161 ( -2.200 0.732 4.323) 4.906 6.345 ( -1.806 -0.237 -4.181) 4.561 6.459 ( 7.528 -0.553 -2.371) 7.912 6.512 ( 3.439 -0.963 0.822) 3.664 6.915 ( -4.575 0.487 -5.788) 7.394 7.225 ( 1.428 -0.406 3.520) 3.820 7.338 ( 0.289 0.927 1.047) 1.428 ======================= Grid point 67 (30/88) ======================= q-point: ( 0.29 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( 2.637 0.000 16.828) 17.033 1.137 ( 12.636 0.000 13.454) 18.457 1.304 ( 6.006 0.000 -5.755) 8.318 1.378 ( -7.190 -0.000 -2.657) 7.665 1.636 ( 6.396 0.000 -11.938) 13.543 1.708 ( 12.153 0.000 0.199) 12.155 1.910 ( -1.406 -0.000 -4.975) 5.170 2.018 ( -10.877 -0.000 6.287) 12.563 2.034 ( -5.203 -0.000 -5.470) 7.549 2.100 ( 6.318 0.000 11.586) 13.196 2.231 ( -0.474 -0.000 7.647) 7.662 2.311 ( -6.990 -0.000 6.611) 9.621 2.392 ( -6.562 -0.000 -2.052) 6.875 2.416 ( 6.607 0.000 -1.963) 6.892 2.515 ( -1.672 -0.000 0.712) 1.817 2.660 ( 5.754 0.000 -4.214) 7.132 2.752 ( 1.483 0.000 0.586) 1.594 2.822 ( 5.513 0.000 -0.404) 5.527 2.905 ( -7.209 -0.000 -3.105) 7.850 3.089 ( 2.010 0.000 -10.438) 10.630 3.099 ( 7.598 0.000 -3.000) 8.169 3.251 ( -0.250 -0.000 8.917) 8.921 3.288 ( -5.212 -0.000 1.507) 5.426 3.431 ( -3.538 -0.000 -0.749) 3.617 3.602 ( -4.723 -0.000 -3.513) 5.887 3.605 ( -2.323 -0.000 -1.095) 2.568 3.794 ( 0.110 0.000 4.985) 4.986 3.829 ( -2.494 -0.000 1.506) 2.914 3.939 ( -2.302 -0.000 1.357) 2.672 4.042 ( -1.416 -0.000 1.689) 2.204 4.127 ( -1.708 -0.000 1.955) 2.596 4.203 ( -6.329 -0.000 -6.026) 8.739 4.213 ( -3.577 -0.000 3.561) 5.047 4.249 ( -4.483 -0.000 -3.826) 5.894 4.351 ( 3.837 0.000 -0.622) 3.887 4.477 ( 2.810 0.000 0.435) 2.843 4.520 ( 2.384 0.000 -6.528) 6.949 4.608 ( -4.755 -0.000 0.572) 4.789 4.651 ( 0.758 0.000 0.761) 1.074 4.766 ( 1.127 0.000 1.836) 2.154 4.812 ( 1.976 0.000 7.279) 7.542 4.829 ( -1.185 -0.000 -4.011) 4.183 5.065 ( 4.535 0.000 1.366) 4.736 5.119 ( 0.747 0.000 -3.918) 3.989 5.131 ( -3.365 -0.000 3.689) 4.993 5.234 ( -1.124 -0.000 0.211) 1.143 5.305 ( 0.432 0.000 -2.239) 2.280 5.417 ( 10.654 0.000 2.513) 10.947 5.432 ( -5.205 -0.000 -0.460) 5.225 5.589 ( -1.652 -0.000 -0.177) 1.661 5.985 ( -0.561 -0.000 0.785) 0.965 6.098 ( -2.965 -0.000 2.224) 3.707 6.149 ( 0.316 0.000 0.847) 0.904 6.210 ( 8.735 0.000 7.191) 11.314 6.228 ( -0.230 -0.000 -3.766) 3.773 6.533 ( 2.517 0.000 -0.498) 2.566 6.619 ( -0.790 -0.000 -4.585) 4.653 6.819 ( 0.839 0.000 -7.085) 7.134 7.312 ( 0.227 0.000 1.639) 1.655 7.406 ( 3.419 0.000 -0.792) 3.510 ======================= Grid point 68 (31/88) ======================= q-point: ( 0.43 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( 1.643 1.192 12.639) 12.801 1.256 ( -8.338 0.998 -0.916) 8.448 1.304 ( 8.413 0.359 9.883) 12.984 1.373 ( 2.940 -3.233 -1.618) 4.660 1.585 ( 7.509 2.087 -12.743) 14.937 1.715 ( -2.953 5.034 -3.915) 7.028 1.833 ( -4.813 -0.081 -1.404) 5.015 1.912 ( -7.684 5.469 3.686) 10.126 2.012 ( 2.949 1.289 -0.817) 3.320 2.173 ( -0.506 5.690 3.036) 6.469 2.237 ( -5.532 2.343 4.380) 7.434 2.316 ( -2.619 1.474 0.813) 3.113 2.363 ( 7.519 -5.605 7.645) 12.100 2.491 ( 3.333 -2.015 -0.043) 3.895 2.531 ( -0.758 -2.789 -0.025) 2.890 2.675 ( 5.620 0.309 -1.745) 5.892 2.788 ( 6.979 -0.797 -0.771) 7.066 2.833 ( -3.634 -1.007 -0.060) 3.772 2.916 ( 2.172 -3.406 -1.836) 4.437 3.077 ( 4.307 -0.353 -6.812) 8.067 3.161 ( 3.651 -2.063 -0.882) 4.285 3.267 ( -4.635 -0.595 4.922) 6.787 3.303 ( -3.339 -0.439 5.215) 6.207 3.379 ( -4.022 -0.555 -0.444) 4.085 3.501 ( -1.529 1.077 -3.006) 3.540 3.621 ( -5.590 -3.000 -2.008) 6.654 3.787 ( -0.861 2.582 2.193) 3.495 3.832 ( -1.067 0.189 1.191) 1.610 3.908 ( 0.465 3.752 6.120) 7.194 4.045 ( -1.504 -0.574 1.172) 1.991 4.071 ( -3.453 4.234 -3.246) 6.355 4.107 ( -0.152 6.901 0.282) 6.908 4.137 ( 0.209 1.095 -1.053) 1.534 4.184 ( -4.681 -0.018 -2.510) 5.311 4.377 ( 0.058 0.290 -0.081) 0.307 4.453 ( 2.319 3.739 -0.072) 4.401 4.468 ( -2.285 3.109 -3.791) 5.409 4.623 ( 4.371 -1.945 -1.071) 4.903 4.680 ( -1.776 -4.278 -1.332) 4.820 4.779 ( -1.360 -1.506 -4.023) 4.506 4.829 ( -1.060 -1.268 4.865) 5.138 4.918 ( 1.481 -2.562 5.455) 6.206 5.030 ( -1.794 1.348 -6.716) 7.081 5.105 ( 0.175 2.554 1.788) 3.123 5.153 ( -0.194 -0.559 -0.571) 0.822 5.213 ( -0.414 -2.016 3.917) 4.424 5.342 ( 2.484 -2.297 -2.538) 4.229 5.406 ( -2.794 -0.838 -0.398) 2.944 5.581 ( 6.131 -2.470 0.211) 6.613 5.615 ( 3.438 -7.449 0.600) 8.226 5.973 ( -3.439 -0.460 0.507) 3.507 6.075 ( -2.821 1.086 0.603) 3.082 6.128 ( -0.332 1.870 -0.890) 2.098 6.214 ( 1.228 0.714 -1.775) 2.273 6.279 ( 3.575 1.749 2.720) 4.821 6.545 ( 2.781 0.875 -2.065) 3.572 6.597 ( 0.960 1.427 0.032) 1.720 6.801 ( 0.485 -1.280 -1.304) 1.890 7.323 ( -0.151 -0.453 0.759) 0.897 7.400 ( 1.909 2.904 -0.909) 3.592 ======================= Grid point 69 (32/88) ======================= q-point: (-0.43 -0.71 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( -8.169 2.485 6.530) 10.749 1.219 ( 0.549 -1.368 7.102) 7.253 1.414 ( -1.628 -3.258 5.340) 6.464 1.433 ( 0.747 -1.697 -1.018) 2.115 1.579 ( 6.072 -0.751 -5.446) 8.191 1.614 ( 2.547 2.044 -3.991) 5.157 1.734 ( -6.694 4.394 2.650) 8.435 1.801 ( -2.419 2.673 1.661) 3.969 1.964 ( 2.121 4.916 -2.438) 5.883 2.053 ( -2.341 4.815 0.301) 5.362 2.155 ( -2.064 3.741 -2.065) 4.746 2.297 ( -0.967 1.575 5.404) 5.711 2.498 ( -0.068 2.199 0.072) 2.201 2.508 ( 1.505 -1.565 -0.139) 2.175 2.578 ( -0.548 -2.110 1.173) 2.475 2.767 ( 6.092 -1.664 1.390) 6.466 2.796 ( -4.269 -0.869 -1.328) 4.554 2.900 ( 7.177 -2.230 0.439) 7.528 2.976 ( 1.581 -2.795 -2.548) 4.100 3.050 ( 3.688 5.799 0.134) 6.874 3.183 ( -4.243 -2.413 1.378) 5.072 3.286 ( -0.456 -2.142 1.904) 2.902 3.329 ( -2.114 -1.757 3.575) 4.510 3.407 ( -0.916 -4.777 0.732) 4.919 3.511 ( 2.208 -2.158 -2.117) 3.743 3.577 ( -5.890 0.378 -2.271) 6.323 3.728 ( -1.236 4.886 2.112) 5.465 3.790 ( 0.281 3.116 -1.879) 3.650 3.868 ( 1.596 4.039 6.708) 7.991 3.965 ( -1.332 1.774 -5.177) 5.632 4.023 ( 2.819 2.801 -0.326) 3.987 4.082 ( -1.407 -3.550 1.502) 4.104 4.142 ( 1.717 0.470 2.814) 3.330 4.156 ( -3.751 -3.179 -1.587) 5.167 4.311 ( 0.941 6.644 -2.176) 7.054 4.367 ( -0.519 -0.405 -4.768) 4.813 4.494 ( 1.252 -2.534 3.557) 4.543 4.672 ( 2.551 0.089 -0.137) 2.557 4.690 ( -3.108 3.107 -6.737) 8.044 4.740 ( -1.674 -2.634 -1.534) 3.477 4.884 ( 0.685 -1.725 4.434) 4.806 4.949 ( -0.902 3.508 8.104) 8.877 5.019 ( -1.767 -1.720 -3.697) 4.444 5.061 ( -0.190 -2.636 -1.505) 3.041 5.134 ( -0.408 0.140 -4.507) 4.527 5.325 ( 1.391 -4.180 4.207) 6.091 5.378 ( 0.381 -0.195 -2.182) 2.223 5.404 ( -0.864 -2.112 0.686) 2.383 5.637 ( 1.225 -2.721 -0.553) 3.035 5.808 ( 8.028 -2.601 -1.041) 8.503 5.969 ( -4.828 -4.150 0.517) 6.388 5.973 ( -3.971 5.914 -1.223) 7.228 6.104 ( -0.994 -0.857 -3.444) 3.686 6.198 ( 2.209 1.471 -0.494) 2.699 6.273 ( 0.029 1.189 1.428) 1.858 6.518 ( 1.798 2.492 -2.301) 3.839 6.580 ( 2.736 2.954 2.012) 4.501 6.858 ( 0.827 -2.625 3.591) 4.525 7.321 ( -1.466 1.967 -2.100) 3.230 7.345 ( 1.175 1.946 1.031) 2.497 ======================= Grid point 70 (33/88) ======================= q-point: (-0.29 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.083 ( -6.891 3.791 8.783) 11.790 1.293 ( -2.031 -2.330 4.400) 5.377 1.367 ( 2.387 9.520 5.226) 11.119 1.532 ( -2.905 -8.732 0.443) 9.214 1.597 ( 0.760 -3.488 -1.691) 3.950 1.650 ( -2.763 1.752 0.171) 3.277 1.664 ( 4.453 -2.522 -1.516) 5.338 1.797 ( -1.522 -3.482 -1.639) 4.139 1.891 ( 0.947 0.720 -4.747) 4.894 2.002 ( 0.828 0.660 0.873) 1.372 2.077 ( 2.306 2.436 -3.001) 4.501 2.222 ( -5.839 7.720 3.443) 10.274 2.407 ( 1.716 8.588 6.339) 10.811 2.526 ( -0.803 0.147 1.943) 2.107 2.595 ( 0.453 2.126 1.334) 2.550 2.718 ( -3.341 1.150 -2.024) 4.072 2.853 ( 1.255 -0.457 0.452) 1.409 2.934 ( 0.717 2.122 -0.042) 2.240 2.993 ( 4.660 -1.227 -3.018) 5.686 3.054 ( -2.205 -4.350 1.337) 5.057 3.231 ( -1.730 -2.958 1.009) 3.572 3.253 ( -3.715 4.980 0.527) 6.235 3.343 ( -0.003 -0.628 2.558) 2.634 3.490 ( -2.066 -4.221 -0.803) 4.768 3.521 ( -0.688 -0.275 -0.159) 0.757 3.618 ( 5.389 -5.010 -0.703) 7.392 3.648 ( -3.024 1.161 0.359) 3.259 3.741 ( 0.557 2.646 -1.427) 3.057 3.857 ( -0.842 1.091 1.311) 1.902 3.938 ( -0.572 0.183 -0.255) 0.652 4.029 ( 3.655 -0.699 -4.571) 5.894 4.098 ( -0.701 -1.693 1.209) 2.195 4.173 ( -2.091 -0.812 -4.128) 4.698 4.207 ( 1.357 -1.652 5.486) 5.888 4.262 ( 1.331 -2.991 0.025) 3.274 4.390 ( 6.168 -1.920 -2.003) 6.764 4.546 ( -4.261 2.555 -3.429) 6.036 4.571 ( 2.196 -0.270 0.970) 2.416 4.685 ( 0.019 -0.342 1.272) 1.318 4.770 ( 3.434 -0.429 -0.715) 3.534 4.892 ( -2.734 2.144 3.687) 5.066 4.955 ( 0.549 -0.283 2.875) 2.940 4.998 ( 0.793 1.007 1.809) 2.217 5.085 ( -0.072 0.414 -4.064) 4.086 5.156 ( -1.864 -6.097 -2.843) 6.981 5.330 ( -1.583 2.574 -3.675) 4.758 5.405 ( 1.586 -1.806 0.568) 2.470 5.446 ( -0.932 -1.169 3.203) 3.535 5.674 ( -2.106 -0.269 0.593) 2.204 5.808 ( -2.454 6.368 -0.891) 6.882 5.822 ( 2.658 1.928 -1.901) 3.794 6.032 ( -4.253 -4.539 -1.248) 6.345 6.089 ( -1.226 -0.746 -4.115) 4.358 6.199 ( 0.552 1.212 2.205) 2.575 6.279 ( 1.448 -1.468 -1.313) 2.445 6.484 ( 3.739 2.221 -0.569) 4.386 6.567 ( 4.325 3.457 2.879) 6.241 6.908 ( -2.606 -0.818 2.201) 3.508 7.248 ( 0.023 2.325 -0.774) 2.451 7.348 ( 0.114 -0.129 0.459) 0.491 ======================= Grid point 71 (34/88) ======================= q-point: (-0.14 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.976 ( -3.810 8.672 8.768) 12.907 1.162 ( 2.985 14.825 5.300) 16.025 1.381 ( -3.928 -4.234 1.249) 5.909 1.558 ( -1.252 0.803 -4.205) 4.460 1.627 ( 0.422 1.284 -2.881) 3.182 1.668 ( 5.870 -0.408 0.146) 5.885 1.777 ( -3.359 -9.581 0.827) 10.186 1.822 ( 0.575 3.373 -4.473) 5.632 1.942 ( 2.402 -8.336 2.071) 8.919 2.011 ( -5.575 -1.488 -0.341) 5.780 2.087 ( 1.452 -1.598 0.352) 2.188 2.105 ( 0.229 -2.687 2.485) 3.667 2.300 ( 0.456 8.876 7.873) 11.873 2.520 ( 5.644 7.714 2.335) 9.839 2.539 ( -2.956 -0.333 5.140) 5.939 2.684 ( -0.816 -0.152 -2.859) 2.977 2.821 ( -3.542 0.951 -0.293) 3.679 2.938 ( 2.814 0.943 1.216) 3.207 3.049 ( 3.971 -1.516 -3.849) 5.734 3.117 ( -4.980 3.757 -3.046) 6.942 3.128 ( -5.426 -6.294 2.628) 8.716 3.245 ( -3.193 -0.710 1.633) 3.656 3.376 ( 5.112 1.441 2.402) 5.829 3.514 ( -2.487 -0.634 -1.947) 3.221 3.524 ( -3.774 -2.137 -0.220) 4.342 3.614 ( -0.597 0.658 0.685) 1.122 3.693 ( -1.267 -1.453 -3.455) 3.957 3.772 ( 3.791 -4.891 -2.061) 6.523 3.826 ( -2.158 -1.262 -0.259) 2.514 3.922 ( -0.121 1.116 -0.163) 1.134 4.056 ( 3.439 -2.574 -4.116) 5.949 4.142 ( -1.046 -1.785 -1.009) 2.301 4.186 ( 1.263 -2.644 -0.721) 3.017 4.254 ( -2.751 -2.149 1.732) 3.897 4.322 ( -0.293 -1.915 -0.448) 1.988 4.464 ( 1.146 1.895 0.128) 2.218 4.495 ( 5.043 -0.171 2.321) 5.555 4.589 ( 2.343 0.575 0.067) 2.414 4.696 ( 0.551 -0.480 0.388) 0.827 4.837 ( 4.523 -0.388 1.930) 4.933 4.855 ( -2.271 -0.331 2.707) 3.549 4.945 ( -0.248 0.156 -6.705) 6.711 4.996 ( 0.009 0.398 1.051) 1.124 5.088 ( 1.469 1.748 5.749) 6.186 5.176 ( -1.179 0.619 -3.670) 3.904 5.249 ( -2.579 -0.556 -3.989) 4.782 5.421 ( 0.582 1.847 -0.606) 2.029 5.473 ( 0.565 -0.391 2.478) 2.572 5.616 ( -6.174 1.421 1.802) 6.587 5.697 ( -1.680 3.104 0.087) 3.530 5.840 ( 2.723 0.319 1.532) 3.140 6.025 ( -5.318 -0.416 -1.113) 5.449 6.071 ( 1.456 -0.576 -3.388) 3.732 6.184 ( -1.817 1.145 2.824) 3.548 6.301 ( 0.614 -0.911 -2.556) 2.782 6.513 ( 6.824 0.382 -2.530) 7.288 6.577 ( 6.199 1.621 3.584) 7.341 6.858 ( -5.398 1.302 -2.982) 6.303 7.246 ( 1.025 -0.345 2.116) 2.376 7.352 ( 0.036 -0.004 0.385) 0.387 ======================= Grid point 75 (35/88) ======================= q-point: (-0.57 -0.57 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( -10.800 -0.000 -1.817) 10.952 1.323 ( -0.649 -0.000 10.640) 10.659 1.329 ( 4.450 0.000 -3.829) 5.871 1.415 ( -3.281 -0.000 3.921) 5.113 1.600 ( 8.973 0.000 -12.658) 15.516 1.725 ( 0.769 0.000 -0.167) 0.786 1.836 ( 2.215 0.000 2.763) 3.542 1.939 ( -3.182 -0.000 3.877) 5.016 2.038 ( 2.990 0.000 -0.434) 3.021 2.216 ( -4.484 -0.000 -2.546) 5.157 2.240 ( -6.842 -0.000 7.358) 10.047 2.323 ( -1.066 -0.000 2.735) 2.935 2.399 ( 0.997 0.000 4.894) 4.995 2.461 ( -2.725 -0.000 -2.129) 3.458 2.513 ( 2.734 0.000 0.037) 2.734 2.709 ( 5.769 0.000 -4.070) 7.060 2.758 ( -4.499 -0.000 -1.434) 4.722 2.833 ( 4.292 0.000 4.206) 6.010 2.933 ( 6.246 0.000 -1.421) 6.406 3.086 ( 9.454 0.000 -5.082) 10.733 3.164 ( 2.777 0.000 -0.267) 2.790 3.261 ( -1.362 -0.000 4.409) 4.615 3.293 ( -8.255 -0.000 3.144) 8.834 3.327 ( -4.221 -0.000 0.226) 4.227 3.479 ( -2.644 -0.000 -3.096) 4.072 3.545 ( -1.341 -0.000 -0.495) 1.430 3.822 ( -2.081 -0.000 3.711) 4.254 3.829 ( -1.781 -0.000 3.157) 3.625 3.961 ( 0.071 0.000 4.702) 4.703 4.046 ( -2.116 -0.000 -5.725) 6.103 4.053 ( -1.654 -0.000 5.948) 6.173 4.131 ( -4.255 -0.000 -2.949) 5.177 4.151 ( 1.269 0.000 3.086) 3.337 4.224 ( 0.352 0.000 3.412) 3.430 4.376 ( 1.812 0.000 -4.651) 4.991 4.468 ( -1.102 -0.000 -2.379) 2.622 4.541 ( -0.662 -0.000 -3.487) 3.549 4.560 ( 6.513 0.000 -3.223) 7.267 4.665 ( -0.570 -0.000 1.140) 1.275 4.714 ( -1.268 -0.000 -6.597) 6.717 4.757 ( -2.947 -0.000 1.966) 3.543 4.983 ( -0.152 -0.000 -12.524) 12.525 4.992 ( 2.906 0.000 7.309) 7.865 5.105 ( -4.858 -0.000 5.255) 7.156 5.177 ( -0.097 -0.000 2.744) 2.745 5.225 ( -0.133 -0.000 1.075) 1.083 5.329 ( 6.101 0.000 -3.942) 7.263 5.393 ( -0.167 -0.000 2.161) 2.168 5.521 ( -3.193 -0.000 -1.163) 3.398 5.603 ( 4.536 0.000 0.055) 4.536 5.943 ( -2.353 -0.000 -0.133) 2.357 6.044 ( -2.279 -0.000 -2.051) 3.066 6.152 ( -0.459 -0.000 -0.591) 0.748 6.238 ( 2.580 0.000 0.779) 2.695 6.298 ( -1.830 -0.000 -2.795) 3.341 6.558 ( 1.847 0.000 -3.855) 4.275 6.670 ( 3.298 0.000 8.370) 8.997 6.787 ( 1.914 0.000 1.047) 2.181 7.314 ( -0.883 -0.000 -0.493) 1.011 7.444 ( 2.144 0.000 -1.069) 2.396 ======================= Grid point 76 (36/88) ======================= q-point: (-0.43 -0.57 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.007 ( -13.156 -3.436 -2.255) 13.783 1.317 ( -5.764 -0.146 2.966) 6.484 1.334 ( -3.766 0.422 0.506) 3.823 1.411 ( 0.908 -2.276 2.371) 3.409 1.603 ( 8.644 1.080 -8.912) 12.462 1.742 ( 9.665 6.291 4.988) 12.565 1.826 ( 1.373 5.136 4.134) 6.735 1.894 ( -0.615 5.298 4.481) 6.966 2.048 ( 0.887 3.486 -1.182) 3.786 2.115 ( -3.429 3.642 -0.743) 5.057 2.180 ( -4.040 3.255 1.637) 5.440 2.318 ( -2.264 -1.533 2.749) 3.878 2.422 ( -7.820 -5.572 -2.904) 10.032 2.474 ( -0.281 -2.547 -2.637) 3.677 2.533 ( -1.288 -1.295 0.422) 1.875 2.726 ( -2.097 -0.811 1.035) 2.475 2.789 ( 4.491 -2.724 -0.797) 5.312 2.906 ( 2.156 -1.375 2.973) 3.922 2.965 ( 2.050 -0.098 -1.325) 2.443 3.144 ( 4.411 -0.738 -0.409) 4.491 3.160 ( -3.735 4.066 -2.579) 6.094 3.253 ( 0.883 -2.996 0.051) 3.124 3.278 ( -1.539 -1.844 4.057) 4.715 3.358 ( 1.629 -1.988 6.347) 6.847 3.482 ( 4.192 -2.210 -2.587) 5.399 3.528 ( -3.644 0.141 -0.064) 3.648 3.801 ( -1.326 2.260 3.382) 4.278 3.826 ( -0.591 1.234 0.473) 1.448 3.973 ( 0.358 3.557 -1.675) 3.948 4.014 ( 1.920 0.553 1.754) 2.659 4.051 ( -4.055 1.600 0.538) 4.392 4.068 ( -1.981 0.848 3.857) 4.418 4.119 ( 2.018 4.649 -2.378) 5.598 4.220 ( 4.657 1.827 4.288) 6.589 4.361 ( -0.750 1.969 -0.910) 2.295 4.411 ( -0.010 2.762 -3.278) 4.287 4.476 ( 0.664 0.810 -1.413) 1.759 4.647 ( 1.831 -3.935 -4.365) 6.155 4.665 ( -4.194 0.685 -1.798) 4.615 4.699 ( 4.676 -1.593 -0.729) 4.993 4.828 ( -2.540 -7.398 2.052) 8.087 4.884 ( -0.269 0.303 -10.890) 10.898 5.043 ( -1.809 3.398 5.910) 7.053 5.063 ( -1.062 -1.205 -1.234) 2.025 5.158 ( 0.203 4.010 -0.051) 4.015 5.271 ( 0.082 -4.855 4.801) 6.829 5.368 ( 1.298 -0.160 -1.992) 2.383 5.392 ( 1.748 0.217 1.165) 2.112 5.564 ( -0.351 -4.917 -2.501) 5.528 5.695 ( -2.680 -9.203 -1.121) 9.651 5.916 ( 0.119 2.509 0.257) 2.525 6.014 ( -1.904 0.139 -3.379) 3.881 6.104 ( -0.384 3.358 -2.222) 4.045 6.233 ( -1.403 1.131 -0.519) 1.875 6.277 ( 0.141 -0.361 -0.118) 0.405 6.537 ( 0.390 0.417 -3.829) 3.871 6.713 ( 3.983 3.663 8.233) 9.852 6.857 ( 3.256 -1.802 5.046) 6.270 7.300 ( -1.626 -0.243 -1.709) 2.371 7.419 ( 1.220 3.512 -0.926) 3.831 ======================= Grid point 77 (37/88) ======================= q-point: (-0.29 -0.57 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( -12.101 -6.199 1.149) 13.645 1.286 ( -11.622 -8.420 -1.171) 14.399 1.379 ( 0.640 2.392 11.436) 11.701 1.465 ( 3.383 -2.383 0.515) 4.170 1.621 ( 5.951 -0.157 -5.560) 8.146 1.705 ( 6.112 7.141 1.891) 9.588 1.749 ( 2.152 6.915 3.658) 8.113 1.829 ( 2.877 5.098 4.247) 7.232 1.927 ( -0.302 4.606 -5.219) 6.968 2.055 ( -0.543 3.854 3.295) 5.100 2.113 ( 0.660 1.558 -2.632) 3.129 2.318 ( -3.784 3.729 3.206) 6.204 2.430 ( -10.155 -7.798 -5.841) 14.073 2.487 ( -2.963 -1.253 -0.200) 3.223 2.559 ( 1.491 -0.994 2.533) 3.103 2.713 ( -2.854 0.016 1.356) 3.159 2.854 ( 2.253 -0.075 -1.777) 2.870 2.932 ( -4.096 -1.049 -0.417) 4.249 2.957 ( -3.545 -1.861 0.351) 4.019 3.059 ( 3.251 3.577 0.019) 4.834 3.193 ( -1.033 -1.860 2.136) 3.015 3.276 ( -2.222 1.458 -1.959) 3.302 3.347 ( 3.065 -2.693 4.418) 6.014 3.439 ( 1.221 -0.719 4.957) 5.156 3.494 ( -2.430 -0.560 -0.884) 2.645 3.594 ( 7.890 -3.887 -0.944) 8.846 3.704 ( -1.595 7.235 -0.830) 7.455 3.784 ( 0.633 2.520 -1.431) 2.966 3.917 ( -1.953 -0.503 -0.223) 2.029 3.964 ( 1.155 6.844 4.060) 8.041 4.036 ( 2.615 1.019 -4.019) 4.901 4.068 ( -0.090 -1.379 1.529) 2.061 4.121 ( 2.060 -2.237 -1.294) 3.305 4.269 ( 1.447 2.526 2.974) 4.162 4.282 ( 2.059 3.653 0.827) 4.274 4.394 ( 5.543 -2.648 -1.314) 6.282 4.501 ( -2.724 -2.475 1.893) 4.139 4.599 ( -0.332 1.097 -1.296) 1.730 4.686 ( 0.369 -0.483 0.152) 0.627 4.776 ( 4.809 -2.436 -2.002) 5.751 4.862 ( -0.716 -3.932 -9.366) 10.183 4.912 ( -4.479 -0.348 2.256) 5.027 5.005 ( -1.755 -4.237 0.896) 4.673 5.070 ( -0.039 4.444 -0.997) 4.555 5.117 ( 2.424 -1.152 2.477) 3.652 5.341 ( -0.209 1.580 -1.795) 2.400 5.381 ( 1.030 -3.256 1.470) 3.718 5.419 ( -0.527 -1.502 1.125) 1.949 5.623 ( -2.278 -3.070 -0.107) 3.824 5.774 ( -9.932 -3.746 -2.462) 10.897 5.865 ( 1.766 0.799 -2.978) 3.554 5.958 ( -0.937 2.367 -1.029) 2.746 6.054 ( 1.318 0.086 -3.625) 3.858 6.212 ( -2.543 -0.111 1.092) 2.769 6.288 ( 2.518 0.266 -0.214) 2.541 6.520 ( 1.370 0.021 -2.347) 2.718 6.721 ( 4.965 4.754 7.157) 9.923 6.914 ( -0.393 1.206 4.239) 4.425 7.264 ( -1.732 0.976 -2.087) 2.882 7.364 ( 0.496 1.957 -0.664) 2.125 ======================= Grid point 78 (38/88) ======================= q-point: (-0.14 -0.57 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( -7.995 -3.994 2.924) 9.404 1.343 ( -2.135 1.202 6.736) 7.168 1.400 ( -8.314 -5.441 1.365) 10.030 1.511 ( 4.238 4.637 2.594) 6.797 1.619 ( 3.651 -0.995 -0.824) 3.873 1.666 ( 2.900 3.327 1.003) 4.525 1.735 ( 4.283 -0.567 -2.535) 5.009 1.788 ( 2.392 3.060 0.218) 3.890 1.895 ( 2.749 -1.997 1.266) 3.626 2.001 ( -0.042 2.397 -2.666) 3.585 2.097 ( 1.248 0.812 0.599) 1.605 2.171 ( -4.930 7.041 4.195) 9.564 2.442 ( -10.680 -3.995 0.185) 11.404 2.489 ( -2.561 -3.926 -1.789) 5.017 2.592 ( 1.768 1.479 2.765) 3.600 2.699 ( 4.126 2.911 0.486) 5.073 2.800 ( -3.909 1.006 -2.491) 4.743 2.947 ( -4.388 -3.034 2.763) 6.008 2.961 ( -4.003 -1.740 -0.781) 4.434 3.061 ( 2.421 0.528 -0.290) 2.495 3.158 ( -0.672 4.074 -1.020) 4.254 3.242 ( 1.230 -0.251 1.002) 1.606 3.435 ( -3.717 -0.044 4.055) 5.501 3.463 ( 3.690 -1.191 3.030) 4.921 3.503 ( 0.325 -0.877 -1.763) 1.995 3.609 ( 0.437 1.555 -1.608) 2.279 3.676 ( 0.125 -0.127 -1.783) 1.792 3.761 ( 2.942 -0.248 1.116) 3.156 3.831 ( 0.122 5.029 -2.473) 5.605 3.928 ( -1.970 0.366 1.474) 2.487 4.041 ( 4.234 -0.051 -5.165) 6.679 4.091 ( -0.318 -0.653 1.016) 1.249 4.153 ( 1.602 -1.460 -1.817) 2.829 4.229 ( -0.363 -0.937 0.452) 1.102 4.319 ( 0.996 0.894 4.447) 4.644 4.484 ( 2.552 -0.785 -1.249) 2.948 4.548 ( 0.892 0.020 4.800) 4.882 4.610 ( 2.860 -2.029 -0.100) 3.508 4.701 ( 3.281 -0.791 -1.202) 3.583 4.830 ( -0.521 -0.581 0.852) 1.156 4.859 ( -1.305 -2.705 -11.079) 11.479 4.875 ( -1.664 -0.211 1.201) 2.063 5.002 ( -0.160 1.314 -0.236) 1.345 5.097 ( 0.353 -5.000 -0.866) 5.087 5.180 ( 3.210 -0.226 4.442) 5.485 5.272 ( -0.730 4.974 1.047) 5.136 5.412 ( -0.099 -1.215 -3.275) 3.495 5.469 ( -0.000 -2.174 2.068) 3.001 5.603 ( -5.119 1.065 1.885) 5.558 5.692 ( -6.159 0.752 -1.612) 6.411 5.887 ( 3.949 -0.787 0.091) 4.028 5.935 ( -3.418 -1.915 -1.073) 4.063 6.054 ( 1.762 -0.394 -3.069) 3.560 6.190 ( -2.660 0.476 0.765) 2.808 6.301 ( 1.841 0.411 -0.745) 2.028 6.537 ( 3.375 -0.986 -3.461) 4.934 6.718 ( 4.961 4.968 6.270) 9.413 6.843 ( -5.391 3.661 -0.659) 6.550 7.250 ( -0.043 -0.717 0.730) 1.024 7.348 ( -0.089 -0.105 -0.862) 0.873 ======================= Grid point 83 (39/88) ======================= q-point: (-0.43 -0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.834 ( -14.329 -0.000 -2.886) 14.617 1.145 ( -17.366 -0.000 -5.552) 18.232 1.373 ( 4.746 0.000 -1.506) 4.979 1.430 ( 1.904 0.000 5.055) 5.402 1.652 ( 6.934 0.000 -3.714) 7.866 1.940 ( 5.273 0.000 2.255) 5.735 1.962 ( 12.100 0.000 7.694) 14.340 1.980 ( 1.833 0.000 4.896) 5.228 2.079 ( -5.486 -0.000 -5.756) 7.951 2.103 ( 3.774 0.000 1.015) 3.908 2.108 ( -26.046 -0.000 -3.312) 26.255 2.210 ( -5.084 -0.000 6.663) 8.381 2.354 ( 1.231 0.000 2.209) 2.529 2.438 ( 1.197 0.000 -4.927) 5.070 2.476 ( -3.845 -0.000 -2.621) 4.654 2.729 ( -1.277 -0.000 1.917) 2.303 2.800 ( 6.598 0.000 -0.547) 6.621 2.929 ( -7.302 -0.000 -2.743) 7.801 2.939 ( 1.846 0.000 3.435) 3.900 3.110 ( -3.341 -0.000 -1.207) 3.552 3.208 ( 3.326 0.000 -0.275) 3.338 3.226 ( 1.069 0.000 0.887) 1.389 3.322 ( -0.255 -0.000 7.900) 7.904 3.390 ( 7.996 0.000 1.065) 8.066 3.507 ( 8.728 0.000 -0.272) 8.732 3.510 ( -2.659 -0.000 0.426) 2.693 3.817 ( -3.611 -0.000 3.314) 4.902 3.849 ( 0.615 0.000 3.297) 3.354 3.998 ( 1.662 0.000 -2.851) 3.300 4.004 ( 0.754 0.000 -3.055) 3.147 4.037 ( -2.243 -0.000 1.241) 2.564 4.151 ( -0.469 -0.000 13.483) 13.491 4.191 ( 0.336 0.000 -3.330) 3.347 4.291 ( 2.347 0.000 2.373) 3.338 4.347 ( 2.005 0.000 -2.663) 3.333 4.403 ( -1.245 -0.000 -3.583) 3.793 4.509 ( 1.554 0.000 -2.964) 3.346 4.566 ( 0.080 0.000 -5.987) 5.988 4.655 ( -0.631 -0.000 -1.478) 1.607 4.692 ( 3.337 0.000 -0.672) 3.404 4.777 ( 1.000 0.000 4.876) 4.977 4.807 ( -1.311 -0.000 -14.596) 14.655 5.028 ( -1.990 -0.000 0.780) 2.137 5.103 ( -2.667 -0.000 4.464) 5.200 5.169 ( -0.394 -0.000 -2.297) 2.331 5.272 ( 0.333 0.000 5.166) 5.177 5.361 ( -1.688 -0.000 -1.658) 2.366 5.448 ( 0.280 0.000 -3.489) 3.500 5.453 ( 2.460 0.000 2.840) 3.757 5.570 ( -4.696 -0.000 -1.772) 5.019 5.968 ( -2.293 -0.000 -5.402) 5.868 5.968 ( 2.440 0.000 1.724) 2.987 6.117 ( -1.644 -0.000 -2.188) 2.737 6.188 ( -5.912 -0.000 -0.571) 5.939 6.298 ( 2.918 0.000 0.304) 2.934 6.511 ( -0.705 -0.000 -3.672) 3.739 6.830 ( 1.357 0.000 9.949) 10.041 6.919 ( 7.120 0.000 5.463) 8.974 7.270 ( -1.902 -0.000 -2.477) 3.123 7.458 ( 1.062 0.000 -1.332) 1.704 ======================= Grid point 84 (40/88) ======================= q-point: (-0.29 -0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.745 ( -14.676 -5.919 0.674) 15.839 1.008 ( -16.953 -6.156 -3.875) 18.448 1.446 ( 5.162 -3.061 0.898) 6.068 1.474 ( 1.998 0.446 6.186) 6.516 1.675 ( 6.951 1.487 -3.054) 7.736 1.873 ( -6.643 5.614 3.292) 9.299 1.876 ( -14.761 0.028 -2.146) 14.916 1.984 ( -0.227 4.121 -1.581) 4.420 1.990 ( -0.756 1.943 -0.457) 2.135 2.050 ( 8.189 5.142 3.633) 10.330 2.155 ( -1.296 3.959 4.201) 5.916 2.179 ( 1.368 -1.517 -2.169) 2.979 2.373 ( -2.511 -0.111 0.405) 2.546 2.451 ( -0.343 -2.492 -1.033) 2.719 2.504 ( 0.704 -5.216 -0.365) 5.276 2.704 ( -1.856 1.378 0.937) 2.495 2.816 ( -6.026 -0.545 -3.388) 6.935 2.899 ( -0.117 -2.499 2.116) 3.276 2.935 ( 0.134 2.990 1.927) 3.560 3.136 ( 2.168 -3.468 -0.313) 4.102 3.159 ( -1.038 4.073 1.198) 4.371 3.258 ( 0.221 -0.711 -1.716) 1.871 3.373 ( 2.550 -0.797 6.401) 6.936 3.472 ( 2.113 0.613 -2.624) 3.424 3.506 ( 1.455 -0.764 7.447) 7.626 3.614 ( 8.522 -1.783 1.155) 8.782 3.802 ( -0.423 2.048 -0.942) 2.293 3.846 ( 0.651 3.425 3.204) 4.735 3.896 ( -5.201 4.522 -2.089) 7.201 4.038 ( 3.790 -3.109 -0.230) 4.907 4.049 ( 0.756 2.139 -3.362) 4.056 4.106 ( 3.461 -0.541 -2.491) 4.298 4.165 ( 0.757 7.717 6.385) 10.045 4.328 ( -0.367 1.684 -0.315) 1.752 4.351 ( 1.159 -0.823 0.591) 1.540 4.414 ( 4.159 -1.157 2.255) 4.871 4.460 ( -0.453 1.740 0.711) 1.934 4.576 ( -1.565 -1.595 -3.367) 4.042 4.660 ( 0.724 -2.087 -2.113) 3.057 4.703 ( -0.174 -3.300 -10.939) 11.428 4.767 ( 2.799 -2.467 -3.660) 5.227 4.859 ( -0.148 -3.803 4.736) 6.076 4.991 ( -2.528 2.659 0.667) 3.729 5.107 ( 1.772 -1.679 1.125) 2.689 5.140 ( -0.889 3.235 -0.863) 3.464 5.309 ( -2.157 -4.472 2.989) 5.795 5.343 ( -1.555 -0.451 -0.982) 1.893 5.433 ( 1.561 1.627 -1.265) 2.586 5.536 ( 0.339 -4.620 -2.604) 5.314 5.581 ( -5.985 -6.148 0.736) 8.611 5.877 ( -4.742 2.714 -4.297) 6.951 5.979 ( 0.958 1.114 0.731) 1.641 6.071 ( -0.096 1.636 -2.492) 2.983 6.167 ( -4.153 -1.860 1.470) 4.782 6.318 ( 3.111 0.422 -1.165) 3.349 6.497 ( -0.247 -0.914 -2.269) 2.459 6.869 ( 1.673 2.544 8.271) 8.813 6.997 ( 4.782 2.640 5.151) 7.508 7.238 ( -2.086 -0.115 -2.596) 3.332 7.412 ( -0.316 3.890 -2.205) 4.483 ======================= Grid point 85 (41/88) ======================= q-point: (-0.14 -0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.802 ( -10.942 -10.110 4.856) 15.669 1.043 ( -13.266 -13.887 -1.126) 19.238 1.473 ( 0.073 2.767 5.019) 5.732 1.592 ( 6.495 -1.616 4.546) 8.091 1.694 ( 5.458 1.216 -2.230) 6.020 1.767 ( -3.157 2.945 4.213) 6.033 1.782 ( -3.711 1.649 0.249) 4.069 1.903 ( 2.724 3.509 -2.363) 5.031 1.954 ( -7.799 -3.280 0.002) 8.461 2.007 ( 1.796 3.117 -1.788) 4.018 2.083 ( 2.464 5.268 -1.307) 5.961 2.180 ( -1.092 0.507 -1.536) 1.952 2.302 ( -5.291 5.563 3.161) 8.302 2.454 ( -1.412 1.906 1.074) 2.604 2.551 ( -6.839 -5.412 -2.108) 8.972 2.740 ( 3.255 -1.458 0.246) 3.575 2.798 ( 3.730 -1.110 -0.229) 3.898 2.871 ( -6.513 -0.189 2.042) 6.828 2.950 ( 0.806 0.488 1.850) 2.076 3.087 ( -2.040 1.993 -0.517) 2.898 3.218 ( 1.403 2.450 -1.109) 3.033 3.239 ( 3.681 -2.916 -0.844) 4.772 3.448 ( -2.298 2.094 1.531) 3.465 3.477 ( 2.146 -3.247 3.200) 5.039 3.512 ( -0.303 3.228 5.152) 6.087 3.682 ( 1.780 1.125 1.039) 2.348 3.692 ( 2.666 5.106 -0.581) 5.789 3.801 ( 1.691 1.627 0.257) 2.360 3.872 ( -1.263 0.607 0.399) 1.457 4.003 ( 2.304 2.468 -3.263) 4.695 4.039 ( 1.493 4.761 -2.917) 5.779 4.116 ( 3.739 -0.104 -0.744) 3.813 4.152 ( 2.317 0.121 -0.074) 2.321 4.235 ( -0.579 2.551 -0.939) 2.779 4.403 ( 2.663 2.305 4.451) 5.675 4.456 ( 2.889 -3.638 -3.740) 5.964 4.547 ( -0.749 -4.118 0.255) 4.194 4.563 ( -1.687 -1.707 5.662) 6.150 4.689 ( -1.777 -2.094 -1.546) 3.152 4.734 ( 3.578 -4.052 -7.704) 9.411 4.826 ( 1.261 -2.497 -1.381) 3.120 4.860 ( -2.958 3.047 0.711) 4.306 5.015 ( 1.528 -1.084 -0.074) 1.875 5.049 ( 1.129 -0.566 0.755) 1.471 5.201 ( 2.641 -1.721 2.901) 4.284 5.322 ( -2.286 -0.467 -0.651) 2.422 5.384 ( 0.702 -0.922 -3.102) 3.311 5.417 ( -0.442 -2.181 1.260) 2.557 5.567 ( -3.221 -1.436 -0.095) 3.528 5.625 ( -4.182 -2.692 0.616) 5.012 5.807 ( -3.896 -2.366 -2.000) 4.977 5.970 ( 2.247 1.316 1.268) 2.896 6.052 ( 1.615 -0.047 -1.987) 2.561 6.166 ( -2.996 -0.619 0.514) 3.102 6.325 ( 2.338 0.605 -1.315) 2.750 6.509 ( 0.552 -1.490 -2.521) 2.980 6.870 ( -0.888 3.364 3.161) 4.701 6.910 ( -1.074 9.128 3.327) 9.775 7.228 ( -0.920 -1.240 -0.381) 1.590 7.341 ( -0.774 0.845 -2.288) 2.559 ======================= Grid point 91 (42/88) ======================= q-point: (-0.29 -0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.557 ( -16.278 -0.000 3.352) 16.619 0.753 ( -19.847 -0.000 -4.440) 20.338 1.453 ( -25.985 -0.000 0.533) 25.990 1.481 ( 6.184 0.000 3.338) 7.027 1.565 ( -7.298 -0.000 1.427) 7.436 1.753 ( 6.519 0.000 -1.462) 6.682 1.883 ( -7.878 -0.000 -5.610) 9.672 1.966 ( -2.820 -0.000 2.753) 3.941 2.172 ( -3.052 -0.000 2.010) 3.655 2.185 ( 11.136 0.000 1.280) 11.209 2.205 ( -3.546 -0.000 4.734) 5.915 2.221 ( 8.882 0.000 1.323) 8.980 2.284 ( -3.265 -0.000 -7.432) 8.117 2.408 ( 0.255 0.000 -1.188) 1.215 2.499 ( 9.594 0.000 2.354) 9.878 2.717 ( -1.405 -0.000 0.574) 1.518 2.737 ( -6.082 -0.000 -1.668) 6.306 2.870 ( -5.514 -0.000 3.528) 6.546 3.034 ( 5.063 0.000 3.616) 6.222 3.089 ( 4.690 0.000 -0.990) 4.794 3.199 ( -1.691 -0.000 -4.084) 4.421 3.278 ( 4.999 0.000 -1.847) 5.329 3.439 ( -0.092 -0.000 14.028) 14.029 3.479 ( -1.529 -0.000 0.897) 1.772 3.529 ( 3.745 0.000 1.876) 4.189 3.668 ( 4.833 0.000 2.630) 5.502 3.794 ( -2.878 -0.000 3.526) 4.551 3.899 ( 1.497 0.000 0.405) 1.551 3.910 ( -2.182 -0.000 -6.395) 6.757 4.029 ( 3.465 0.000 0.811) 3.558 4.094 ( 3.542 0.000 1.561) 3.871 4.129 ( 1.714 0.000 -6.298) 6.527 4.294 ( -1.718 -0.000 -4.793) 5.092 4.320 ( 2.337 0.000 8.100) 8.431 4.338 ( 0.001 0.000 3.876) 3.876 4.388 ( -0.615 -0.000 -1.596) 1.711 4.512 ( -0.332 -0.000 -0.882) 0.943 4.543 ( 2.308 0.000 -0.302) 2.328 4.604 ( -1.849 -0.000 -3.564) 4.015 4.630 ( 0.271 0.000 -9.210) 9.214 4.709 ( 1.134 0.000 -4.157) 4.309 4.871 ( 1.333 0.000 6.018) 6.164 5.020 ( 0.543 0.000 1.675) 1.761 5.125 ( -0.232 -0.000 -4.388) 4.395 5.133 ( 0.753 0.000 4.477) 4.539 5.253 ( -4.093 -0.000 -4.161) 5.836 5.313 ( -2.676 -0.000 4.594) 5.317 5.420 ( -3.603 -0.000 2.002) 4.122 5.498 ( 0.382 0.000 -3.295) 3.317 5.499 ( 2.330 0.000 -4.159) 4.767 5.822 ( -8.145 -0.000 -1.572) 8.295 6.013 ( 0.303 0.000 1.276) 1.312 6.057 ( -1.661 -0.000 -2.101) 2.678 6.125 ( -3.020 -0.000 2.740) 4.078 6.338 ( 3.298 0.000 -2.953) 4.427 6.476 ( -0.015 -0.000 -1.039) 1.039 6.937 ( -0.213 -0.000 6.326) 6.330 7.117 ( 7.235 0.000 5.072) 8.836 7.201 ( -2.041 -0.000 -2.428) 3.172 7.444 ( 0.364 0.000 -4.092) 4.108 ======================= Grid point 92 (43/88) ======================= q-point: (-0.14 -0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.547 ( -12.987 -10.050 9.270) 18.857 0.672 ( -16.805 -11.555 -0.702) 20.406 1.301 ( -32.926 -16.316 1.724) 36.787 1.553 ( 1.917 0.157 2.833) 3.424 1.626 ( 3.250 -3.857 5.707) 7.616 1.733 ( -1.633 3.959 -4.138) 5.955 1.811 ( 3.792 1.051 0.862) 4.028 1.925 ( -0.742 2.945 -0.615) 3.099 2.076 ( -4.299 3.986 -2.057) 6.213 2.155 ( -0.111 1.826 -5.965) 6.239 2.207 ( 3.574 6.267 -2.348) 7.587 2.208 ( 4.484 3.864 3.270) 6.762 2.318 ( 1.131 -0.051 2.471) 2.718 2.403 ( -2.321 -0.980 0.205) 2.528 2.573 ( 1.007 7.382 1.043) 7.523 2.730 ( 5.932 -5.263 1.535) 8.077 2.769 ( 3.785 -5.130 -0.735) 6.417 2.822 ( -8.575 0.568 3.424) 9.251 3.037 ( 4.998 5.015 1.445) 7.226 3.095 ( -4.610 3.017 -1.197) 5.638 3.205 ( 3.788 -2.800 -1.967) 5.104 3.272 ( 4.493 1.756 -0.559) 4.856 3.459 ( -0.085 -0.209 0.714) 0.749 3.502 ( -0.366 1.586 7.350) 7.528 3.583 ( -3.744 2.297 6.426) 7.784 3.728 ( -0.819 -0.108 4.208) 4.288 3.778 ( 1.426 2.856 -2.984) 4.370 3.823 ( 0.422 -0.911 0.367) 1.069 3.900 ( 0.854 0.467 1.141) 1.500 3.990 ( 1.523 4.767 -4.635) 6.821 4.106 ( 4.441 -0.670 -3.286) 5.565 4.166 ( 3.120 -1.318 -1.178) 3.587 4.224 ( 1.492 6.454 -0.626) 6.653 4.281 ( 1.414 2.125 -2.473) 3.554 4.348 ( -2.024 -0.768 -3.358) 3.996 4.472 ( -1.479 -1.379 -2.183) 2.976 4.512 ( 0.671 -0.534 1.088) 1.385 4.567 ( 1.761 0.493 7.034) 7.268 4.600 ( -2.042 -3.478 -0.276) 4.042 4.663 ( 6.218 -7.792 0.785) 10.000 4.766 ( 0.656 -4.051 -1.127) 4.256 4.902 ( 0.073 1.604 1.553) 2.234 5.035 ( 3.970 -0.234 2.402) 4.646 5.059 ( -1.408 2.415 -3.625) 4.578 5.207 ( 3.394 -2.990 2.599) 5.217 5.263 ( -2.166 -5.895 -1.447) 6.445 5.285 ( -4.910 1.493 -0.570) 5.163 5.437 ( 2.838 -0.203 -2.717) 3.934 5.507 ( -0.252 -3.250 -2.271) 3.973 5.523 ( -1.765 -4.941 0.540) 5.275 5.745 ( -7.452 0.343 2.838) 7.982 6.005 ( 0.630 0.600 0.711) 1.123 6.045 ( -0.037 -0.593 -1.557) 1.667 6.131 ( -2.570 -1.011 2.511) 3.732 6.344 ( 3.050 0.302 -3.226) 4.450 6.480 ( 0.146 -0.729 -0.925) 1.187 6.927 ( -3.023 4.045 0.539) 5.079 7.099 ( 0.548 9.132 2.533) 9.493 7.197 ( -0.899 -0.462 -0.810) 1.295 7.336 ( -2.927 2.840 -5.151) 6.570 ======================= Grid point 99 (44/88) ======================= q-point: (-0.14 -0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.377 ( -19.583 -0.000 3.510) 19.895 0.385 ( -14.833 -0.000 13.887) 20.319 0.821 ( -39.473 -0.000 11.969) 41.248 1.580 ( -5.175 -0.000 1.464) 5.378 1.623 ( 1.248 0.000 2.492) 2.787 1.768 ( 4.128 0.000 0.614) 4.173 1.866 ( 6.737 0.000 0.730) 6.776 1.944 ( -7.719 -0.000 -8.364) 11.381 1.946 ( -2.665 -0.000 2.555) 3.692 2.112 ( -4.328 -0.000 -3.343) 5.469 2.255 ( 1.136 0.000 -3.682) 3.853 2.344 ( 5.608 0.000 -1.194) 5.734 2.384 ( 2.726 0.000 5.404) 6.053 2.424 ( 1.604 0.000 2.950) 3.358 2.652 ( -2.826 -0.000 -1.264) 3.096 2.718 ( 2.022 0.000 -1.091) 2.298 2.730 ( 3.120 0.000 4.503) 5.479 2.792 ( 1.168 0.000 2.000) 2.316 3.055 ( -7.405 -0.000 -6.770) 10.034 3.185 ( 5.259 0.000 -2.190) 5.697 3.206 ( 8.513 0.000 2.954) 9.011 3.320 ( 4.387 0.000 -4.853) 6.542 3.453 ( -2.912 -0.000 -0.477) 2.951 3.568 ( -2.662 -0.000 5.221) 5.861 3.648 ( 0.234 0.000 7.415) 7.419 3.746 ( -8.032 -0.000 7.617) 11.070 3.784 ( 3.634 0.000 -0.639) 3.690 3.840 ( 6.558 0.000 5.009) 8.252 3.905 ( 1.326 0.000 -2.648) 2.961 4.092 ( 0.522 0.000 0.986) 1.115 4.148 ( 6.217 0.000 -2.105) 6.564 4.166 ( 3.541 0.000 -1.421) 3.815 4.257 ( 2.813 0.000 -0.530) 2.863 4.287 ( -5.046 -0.000 -5.019) 7.117 4.346 ( -2.118 -0.000 0.029) 2.118 4.364 ( 1.702 0.000 -0.467) 1.765 4.473 ( 0.037 0.000 -3.095) 3.096 4.521 ( -3.898 -0.000 -2.782) 4.788 4.630 ( 3.103 0.000 0.592) 3.159 4.714 ( 3.789 0.000 -0.455) 3.816 4.730 ( 7.836 0.000 25.057) 26.254 4.932 ( 0.119 0.000 1.771) 1.775 5.024 ( -4.133 -0.000 -5.464) 6.851 5.088 ( 4.061 0.000 -0.379) 4.079 5.182 ( -2.283 -0.000 -0.074) 2.284 5.193 ( 3.054 0.000 -2.645) 4.040 5.287 ( -3.533 -0.000 3.101) 4.701 5.411 ( -1.264 -0.000 7.177) 7.287 5.451 ( 2.237 0.000 -4.504) 5.029 5.476 ( 1.035 0.000 -2.143) 2.380 5.708 ( -7.518 -0.000 5.600) 9.374 6.013 ( -0.595 -0.000 -0.357) 0.693 6.023 ( -0.136 -0.000 -0.639) 0.653 6.124 ( -2.037 -0.000 4.167) 4.638 6.352 ( 3.254 0.000 -4.147) 5.271 6.472 ( -0.028 -0.000 -0.549) 0.550 6.953 ( -1.259 -0.000 -1.997) 2.360 7.171 ( -0.858 -0.000 2.528) 2.670 7.206 ( -7.018 -0.000 -20.845) 21.994 7.297 ( -2.789 -0.000 -5.816) 6.450 ======================= Grid point 100 (45/88) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.656 ( 6.060 0.000 15.340) 16.494 0.750 ( 2.437 0.000 20.597) 20.741 1.210 ( -5.969 -0.000 -11.938) 13.347 1.313 ( -5.841 -0.000 22.686) 23.426 1.493 ( -2.134 -0.000 -10.007) 10.232 1.727 ( 3.676 0.000 -2.073) 4.221 1.928 ( -10.690 -0.000 -1.858) 10.850 2.009 ( 2.648 0.000 5.405) 6.019 2.009 ( 14.565 0.000 -4.294) 15.185 2.220 ( 4.098 0.000 10.576) 11.342 2.232 ( -1.017 -0.000 2.877) 3.051 2.390 ( -1.855 -0.000 2.360) 3.002 2.407 ( -5.370 -0.000 1.582) 5.599 2.454 ( -2.523 -0.000 -6.645) 7.108 2.659 ( 1.768 0.000 4.119) 4.482 2.715 ( -0.581 -0.000 -2.652) 2.715 2.763 ( -5.102 -0.000 -0.223) 5.107 2.817 ( 2.449 0.000 -1.931) 3.119 2.847 ( -0.720 -0.000 -2.668) 2.764 3.052 ( 1.538 0.000 -14.362) 14.444 3.143 ( 3.455 0.000 -0.704) 3.526 3.250 ( -9.211 -0.000 -2.515) 9.549 3.419 ( -1.853 -0.000 -3.173) 3.674 3.424 ( 6.069 0.000 -1.127) 6.173 3.646 ( -3.620 -0.000 1.852) 4.066 3.728 ( 0.845 0.000 -2.368) 2.514 3.804 ( -7.419 -0.000 7.428) 10.499 3.883 ( -0.452 -0.000 1.709) 1.767 4.009 ( 1.843 0.000 3.565) 4.013 4.045 ( -1.501 -0.000 -0.603) 1.618 4.172 ( 2.624 0.000 -0.450) 2.662 4.231 ( 1.687 0.000 -0.785) 1.861 4.233 ( 1.293 0.000 -0.128) 1.299 4.274 ( 6.001 0.000 -4.666) 7.601 4.318 ( 0.375 0.000 0.332) 0.501 4.410 ( -2.095 -0.000 -4.471) 4.937 4.532 ( 5.050 0.000 -1.029) 5.154 4.611 ( -1.015 -0.000 -0.771) 1.275 4.673 ( -0.643 -0.000 1.023) 1.208 4.785 ( 3.617 0.000 2.068) 4.166 4.794 ( -2.800 -0.000 1.597) 3.224 4.920 ( 2.255 0.000 2.733) 3.543 4.965 ( -3.928 -0.000 0.906) 4.031 5.100 ( -0.683 -0.000 1.958) 2.074 5.157 ( 0.540 0.000 -7.165) 7.185 5.173 ( -0.981 -0.000 -1.161) 1.520 5.300 ( -2.133 -0.000 2.945) 3.636 5.438 ( 0.793 0.000 -2.897) 3.003 5.643 ( 2.376 0.000 3.144) 3.941 5.767 ( -6.575 -0.000 -1.544) 6.754 5.808 ( 0.727 0.000 7.645) 7.679 5.948 ( -3.570 -0.000 -0.801) 3.658 6.088 ( 1.646 0.000 3.033) 3.451 6.248 ( -3.785 -0.000 5.063) 6.322 6.256 ( 0.824 0.000 -4.551) 4.625 6.389 ( 11.938 0.000 -3.286) 12.382 6.558 ( 1.893 0.000 0.742) 2.033 6.716 ( -3.190 -0.000 -7.245) 7.916 7.295 ( -0.072 -0.000 3.213) 3.214 7.337 ( 0.112 0.000 0.925) 0.932 ======================= Grid point 101 (46/88) ======================= q-point: ( 0.14 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.860 ( 8.378 -3.124 14.735) 17.235 0.968 ( 5.925 -6.002 15.726) 17.845 1.172 ( 2.481 -5.838 -10.853) 12.571 1.392 ( 0.500 -1.423 -9.110) 9.234 1.504 ( -1.329 -4.896 8.900) 10.245 1.762 ( 5.786 0.830 -2.145) 6.226 1.773 ( -9.238 2.138 2.613) 9.836 2.068 ( -0.723 -0.094 8.063) 8.096 2.110 ( 6.607 0.848 -1.824) 6.906 2.217 ( -4.746 8.915 0.398) 10.108 2.218 ( 2.204 0.082 -2.874) 3.623 2.310 ( -1.253 2.028 3.668) 4.375 2.355 ( -0.493 3.135 4.135) 5.213 2.395 ( -0.680 3.206 -0.175) 3.282 2.621 ( -1.203 2.600 -1.815) 3.392 2.682 ( -5.241 -0.096 3.849) 6.503 2.767 ( -2.406 -2.026 -2.145) 3.807 2.853 ( -2.793 -3.409 -0.727) 4.467 2.885 ( 4.612 -4.001 -1.603) 6.313 2.991 ( 3.431 -0.310 -10.620) 11.165 3.171 ( -8.908 -2.955 -1.532) 9.510 3.232 ( 4.319 -3.626 1.570) 5.854 3.393 ( 0.075 -0.138 -0.850) 0.865 3.462 ( 2.410 0.795 -2.215) 3.369 3.607 ( -4.996 1.236 1.338) 5.318 3.711 ( 0.382 0.884 -1.898) 2.128 3.801 ( -3.489 0.511 5.593) 6.612 3.863 ( -0.157 2.711 4.477) 5.236 3.919 ( -2.015 8.675 0.194) 8.908 4.076 ( 1.122 1.861 -0.457) 2.221 4.084 ( -0.015 6.474 2.677) 7.005 4.173 ( -0.250 0.691 -2.615) 2.716 4.233 ( 5.877 4.975 -3.462) 8.442 4.241 ( -0.178 2.656 -4.494) 5.223 4.334 ( 1.783 -0.595 -0.255) 1.897 4.389 ( -1.748 -1.395 -5.073) 5.544 4.540 ( -1.397 -2.337 -1.197) 2.974 4.618 ( 0.108 -1.115 -2.147) 2.421 4.733 ( 3.036 -0.300 7.633) 8.220 4.790 ( -3.814 -0.088 0.465) 3.843 4.826 ( -0.292 -1.428 3.140) 3.461 4.940 ( -3.134 -1.481 -0.284) 3.478 4.970 ( 2.756 -1.302 2.833) 4.161 5.119 ( -2.255 -2.739 -8.607) 9.310 5.163 ( 3.141 -1.405 1.312) 3.683 5.194 ( 3.579 0.708 1.162) 3.829 5.288 ( -1.944 -1.774 2.781) 3.828 5.405 ( -1.477 0.066 -3.280) 3.598 5.632 ( -6.752 -0.148 2.783) 7.304 5.699 ( -7.682 -1.695 -0.104) 7.868 5.913 ( 7.848 0.265 6.720) 10.335 5.953 ( 3.618 -0.781 -0.368) 3.720 6.117 ( 0.482 0.411 2.807) 2.877 6.223 ( -1.987 0.751 0.706) 2.239 6.247 ( -1.896 -0.948 -2.553) 3.318 6.431 ( 6.656 1.970 -5.167) 8.654 6.614 ( 7.400 -0.437 1.125) 7.498 6.670 ( -2.865 -2.159 -6.129) 7.102 7.314 ( -0.059 -0.143 2.386) 2.391 7.349 ( 0.590 -0.444 0.225) 0.772 ======================= Grid point 102 (47/88) ======================= q-point: ( 0.29 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.047 ( 2.993 -3.482 12.010) 12.858 1.204 ( 5.663 -8.480 3.574) 10.805 1.324 ( 5.470 -7.424 -0.696) 9.248 1.396 ( 3.822 -5.790 -9.567) 11.818 1.474 ( -5.178 4.814 3.530) 7.903 1.757 ( 5.028 3.769 -1.747) 6.522 1.807 ( -5.812 -3.854 2.124) 7.290 1.927 ( -5.451 9.692 -0.756) 11.146 2.040 ( -2.998 9.164 3.372) 10.215 2.103 ( -2.575 2.050 0.624) 3.350 2.209 ( 3.471 4.627 0.590) 5.814 2.315 ( 1.841 2.848 3.270) 4.711 2.362 ( 0.834 -4.308 8.384) 9.462 2.426 ( 5.559 -6.385 -4.182) 9.442 2.592 ( -1.156 0.645 1.176) 1.771 2.635 ( -3.912 0.723 -0.226) 3.985 2.767 ( -4.215 -2.298 -1.748) 5.109 2.862 ( -4.015 -2.015 -1.576) 4.760 2.979 ( 3.093 0.484 -5.551) 6.373 3.011 ( 7.106 -3.473 -0.157) 7.911 3.159 ( -8.765 -3.184 1.060) 9.386 3.317 ( 4.253 1.222 1.662) 4.727 3.424 ( 1.070 -3.112 1.129) 3.479 3.445 ( -1.602 -0.847 1.100) 2.120 3.535 ( -5.148 2.327 0.611) 5.682 3.677 ( 1.565 3.560 0.272) 3.898 3.726 ( -1.403 6.648 2.567) 7.263 3.800 ( 1.356 2.866 2.878) 4.282 3.843 ( -1.838 3.114 -2.138) 4.201 3.943 ( 0.581 3.579 2.127) 4.203 4.083 ( -1.380 3.140 -3.906) 5.198 4.124 ( -0.797 1.636 -3.803) 4.216 4.177 ( 3.080 -0.384 -1.229) 3.338 4.184 ( 0.195 1.714 -2.550) 3.079 4.317 ( -1.457 -0.305 -0.784) 1.682 4.422 ( 2.396 -1.980 -0.515) 3.151 4.530 ( -5.357 -0.451 -5.806) 7.912 4.607 ( -3.294 0.910 4.043) 5.294 4.784 ( 2.219 -1.463 0.035) 2.658 4.791 ( 1.898 1.638 4.755) 5.375 4.862 ( -1.285 -1.109 -1.562) 2.307 4.945 ( -2.964 -0.476 3.879) 4.905 5.020 ( 2.839 0.173 -1.461) 3.198 5.090 ( 0.032 -1.819 -5.382) 5.681 5.181 ( 0.346 -0.478 -0.970) 1.136 5.216 ( 3.937 0.977 4.551) 6.096 5.380 ( 0.330 -2.305 1.419) 2.727 5.411 ( 1.971 -4.170 -3.261) 5.649 5.602 ( -6.957 -1.902 3.152) 7.871 5.683 ( -3.197 -1.564 -0.135) 3.561 5.968 ( 2.664 0.158 0.279) 2.683 6.011 ( 7.095 2.565 4.031) 8.554 6.097 ( -1.274 2.778 1.450) 3.383 6.191 ( -2.595 0.959 0.530) 2.817 6.243 ( 0.097 -1.726 -3.211) 3.647 6.419 ( 4.809 0.891 -5.489) 7.352 6.637 ( -3.824 -2.427 -4.583) 6.444 6.727 ( 5.830 -2.455 3.684) 7.320 7.323 ( -0.295 0.597 1.733) 1.856 7.351 ( 0.016 0.432 -0.844) 0.948 ======================= Grid point 103 (48/88) ======================= q-point: (-0.57 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.184 ( -1.081 -1.527 11.992) 12.137 1.351 ( -4.115 -2.774 -0.250) 4.969 1.423 ( 3.561 -3.441 -1.260) 5.109 1.470 ( 3.338 -8.525 -0.974) 9.207 1.534 ( -3.138 2.064 0.864) 3.854 1.676 ( 6.957 0.442 -0.122) 6.972 1.765 ( 1.888 4.823 -1.189) 5.314 1.788 ( -4.279 0.162 1.202) 4.448 1.892 ( -3.001 2.929 0.238) 4.200 2.077 ( -2.738 1.612 0.483) 3.213 2.102 ( -2.501 3.998 -1.073) 4.836 2.306 ( -1.107 2.528 6.841) 7.377 2.492 ( -3.693 4.648 2.062) 6.284 2.509 ( -0.977 -1.461 -0.344) 1.791 2.587 ( 6.872 -3.084 -2.832) 8.047 2.627 ( 0.990 -1.861 -0.969) 2.320 2.768 ( -0.228 -1.260 0.464) 1.362 2.852 ( -2.813 -1.314 -3.302) 4.533 2.946 ( -0.559 0.138 -0.238) 0.623 3.096 ( -0.242 -0.672 1.786) 1.923 3.169 ( 0.865 -2.121 1.753) 2.884 3.305 ( 2.681 2.969 1.524) 4.280 3.424 ( -5.903 0.312 0.861) 5.974 3.464 ( 0.430 -0.119 -2.551) 2.589 3.523 ( 1.572 -1.186 0.757) 2.109 3.625 ( -2.648 1.062 5.603) 6.287 3.693 ( 3.461 0.444 -1.386) 3.755 3.755 ( -0.142 1.342 1.491) 2.011 3.815 ( 2.180 -0.706 0.512) 2.348 3.928 ( -0.067 1.751 1.289) 2.175 4.003 ( -0.473 -0.274 -3.578) 3.620 4.092 ( 1.560 1.465 -1.798) 2.796 4.153 ( 0.792 0.378 0.006) 0.878 4.206 ( -1.512 -0.680 -0.988) 1.930 4.339 ( -0.698 -3.003 -0.105) 3.085 4.416 ( -3.685 1.549 -5.499) 6.798 4.484 ( 1.384 -1.269 -0.634) 1.982 4.597 ( -1.539 -1.052 -0.904) 2.072 4.736 ( -2.380 3.448 -5.915) 7.248 4.802 ( 0.457 1.102 0.445) 1.273 4.854 ( 1.374 0.074 2.425) 2.788 4.927 ( -2.013 2.075 4.186) 5.087 5.029 ( 0.203 1.054 1.981) 2.253 5.148 ( 2.692 -3.398 -1.622) 4.629 5.181 ( -0.473 -2.065 -1.531) 2.614 5.303 ( 5.840 -0.801 4.182) 7.227 5.373 ( -1.908 0.804 -1.724) 2.694 5.470 ( 2.029 -0.808 -2.241) 3.129 5.608 ( -4.105 -0.946 3.399) 5.412 5.693 ( 0.485 -0.651 0.817) 1.152 5.934 ( -2.351 3.326 -0.257) 4.082 6.025 ( 5.111 3.027 -1.474) 6.120 6.077 ( 1.723 0.244 5.456) 5.727 6.150 ( -1.752 1.411 -0.257) 2.264 6.269 ( 0.993 -2.432 -2.844) 3.871 6.417 ( 2.573 0.178 -3.948) 4.716 6.614 ( -5.431 -2.795 -5.170) 8.002 6.860 ( 4.145 -3.872 5.884) 8.173 7.286 ( -1.780 2.394 -1.375) 3.285 7.345 ( 0.287 0.307 0.687) 0.806 ======================= Grid point 104 (49/88) ======================= q-point: (-0.43 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( -5.786 8.582 11.129) 15.198 1.232 ( -8.027 13.314 2.102) 15.688 1.476 ( -2.414 -7.706 2.507) 8.455 1.515 ( 3.461 -2.696 -3.472) 5.594 1.671 ( -0.180 -1.149 -4.073) 4.236 1.690 ( 3.573 -7.837 -2.667) 9.017 1.819 ( 2.164 -1.550 2.525) 3.669 1.860 ( -0.889 -0.068 -3.583) 3.692 1.881 ( 5.229 -6.964 2.017) 8.940 2.001 ( -0.887 2.065 -0.811) 2.389 2.032 ( -7.403 0.261 1.944) 7.659 2.265 ( -0.346 5.382 5.028) 7.374 2.313 ( -7.285 4.681 5.978) 10.522 2.445 ( -4.061 5.429 0.198) 6.783 2.617 ( -1.836 0.822 1.464) 2.488 2.713 ( 6.434 -2.754 -2.969) 7.602 2.801 ( -1.695 -1.451 -1.987) 2.988 2.837 ( 4.038 -1.467 -2.736) 5.094 2.978 ( -1.373 -0.619 3.964) 4.240 3.084 ( -2.798 0.051 -0.724) 2.891 3.188 ( 2.075 2.780 0.814) 3.563 3.309 ( 2.167 -0.058 0.585) 2.246 3.404 ( -2.473 -2.246 2.053) 3.921 3.487 ( 2.391 -0.913 -1.714) 3.080 3.551 ( 3.607 -3.090 -2.649) 5.439 3.647 ( -4.043 -1.693 6.140) 7.544 3.714 ( 1.625 -3.108 -3.586) 5.016 3.787 ( -1.311 -1.375 1.642) 2.511 3.852 ( 1.728 -1.010 -1.671) 2.607 3.950 ( 0.979 -1.159 5.051) 5.274 4.012 ( 0.643 -2.652 -6.047) 6.634 4.058 ( 1.999 3.495 0.113) 4.028 4.161 ( 2.339 0.586 -0.075) 2.412 4.196 ( -0.044 -2.499 -0.028) 2.499 4.349 ( -0.266 0.583 -4.278) 4.325 4.389 ( -2.717 -2.990 0.052) 4.040 4.470 ( 0.951 3.121 -2.881) 4.352 4.616 ( 0.989 -3.131 -2.218) 3.963 4.657 ( -0.032 0.915 -4.434) 4.527 4.787 ( -2.716 -1.268 0.670) 3.071 4.862 ( 2.651 2.216 0.410) 3.480 4.929 ( -0.531 0.583 9.202) 9.236 5.021 ( -1.110 0.323 1.637) 2.004 5.143 ( -2.825 -0.326 -3.689) 4.658 5.243 ( -0.083 3.310 -2.146) 3.946 5.293 ( 3.530 0.103 3.257) 4.804 5.385 ( 4.716 1.600 -0.508) 5.005 5.451 ( -3.041 0.786 -2.570) 4.058 5.591 ( -0.340 1.953 3.079) 3.662 5.714 ( 1.940 0.557 1.466) 2.495 5.853 ( -5.096 2.025 3.287) 6.394 6.020 ( 3.553 0.669 -2.851) 4.605 6.092 ( 1.241 3.270 1.700) 3.889 6.145 ( 2.252 -0.540 2.645) 3.516 6.309 ( 1.438 -2.587 -3.026) 4.233 6.410 ( 0.383 0.130 -2.087) 2.126 6.582 ( -7.546 -3.763 -5.533) 10.085 6.977 ( 0.601 -2.541 2.882) 3.889 7.219 ( -1.419 1.523 -0.829) 2.241 7.345 ( 0.495 0.651 0.996) 1.289 ======================= Grid point 105 (50/88) ======================= q-point: (-0.29 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.934 ( -6.328 14.776 7.518) 17.745 0.951 ( -8.072 12.391 8.275) 16.946 1.498 ( -2.549 0.307 -5.952) 6.482 1.588 ( -8.468 4.773 3.136) 10.214 1.649 ( -3.319 5.306 0.948) 6.330 1.691 ( -2.931 -7.685 -3.539) 8.954 1.747 ( -8.505 2.264 3.720) 9.555 1.908 ( 8.210 -0.231 -0.524) 8.230 1.962 ( 7.510 -2.321 0.768) 7.898 2.085 ( 2.515 -11.462 0.667) 11.753 2.160 ( 2.723 -0.642 2.497) 3.750 2.235 ( 0.480 0.414 4.813) 4.855 2.301 ( -6.605 -4.739 1.023) 8.193 2.310 ( -0.966 0.104 -0.225) 0.998 2.605 ( -1.186 0.862 4.378) 4.617 2.750 ( 0.997 0.919 -0.797) 1.573 2.793 ( -1.826 -2.100 -3.236) 4.268 2.877 ( -1.133 0.318 -0.201) 1.193 2.989 ( 6.372 2.050 0.449) 6.709 3.045 ( -1.505 -0.174 -4.797) 5.031 3.163 ( 3.714 1.887 -0.759) 4.235 3.325 ( -3.150 -1.093 0.332) 3.351 3.456 ( 2.687 -0.471 0.368) 2.753 3.515 ( -3.995 -3.045 2.480) 5.602 3.630 ( 2.855 -2.588 -1.319) 4.073 3.689 ( -1.401 -3.896 0.428) 4.162 3.732 ( -2.357 -0.009 -1.300) 2.691 3.836 ( -2.874 -5.639 -4.720) 7.895 3.881 ( 2.326 -1.904 2.052) 3.639 3.970 ( -2.582 -4.080 3.411) 5.912 4.001 ( 2.916 3.007 -3.218) 5.282 4.051 ( 3.567 -0.727 -3.911) 5.343 4.198 ( 4.184 2.400 -1.917) 5.191 4.243 ( 0.767 -1.709 0.081) 1.875 4.364 ( 1.205 0.140 0.178) 1.226 4.391 ( 2.671 -1.921 2.186) 3.950 4.443 ( -1.655 -1.551 3.553) 4.216 4.603 ( -0.970 0.924 -6.902) 7.031 4.700 ( 4.465 -3.799 -1.115) 5.968 4.817 ( -2.684 0.434 1.326) 3.025 4.848 ( 4.825 -0.266 0.778) 4.895 4.956 ( -2.224 0.484 6.246) 6.648 5.008 ( -4.255 2.162 -5.066) 6.960 5.079 ( 0.058 0.391 2.552) 2.582 5.158 ( -0.213 2.135 -1.369) 2.545 5.317 ( 2.222 6.734 -2.381) 7.480 5.354 ( -2.469 0.019 2.028) 3.195 5.408 ( 2.349 0.404 -1.257) 2.695 5.584 ( 2.698 2.349 3.513) 5.014 5.715 ( 3.688 2.342 1.156) 4.519 5.828 ( -5.024 -0.375 6.424) 8.164 6.009 ( 0.760 0.838 -3.222) 3.415 6.062 ( 2.249 2.371 2.195) 3.937 6.191 ( 2.221 -0.645 2.034) 3.080 6.336 ( 2.255 0.940 -0.666) 2.532 6.391 ( -3.018 -1.487 -4.365) 5.511 6.558 ( -8.036 -4.547 -4.465) 10.256 6.952 ( -4.492 1.892 -5.221) 7.142 7.234 ( 0.964 -1.332 3.837) 4.174 7.341 ( 0.488 0.956 1.107) 1.542 ======================= Grid point 106 (51/88) ======================= q-point: (-0.14 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.690 ( -7.863 11.169 10.921) 17.488 0.735 ( -2.856 10.004 15.170) 18.395 1.347 ( -11.162 8.676 14.808) 20.473 1.381 ( -9.256 4.210 -2.923) 10.580 1.564 ( -2.688 0.436 -5.584) 6.212 1.726 ( 1.167 -1.030 -4.657) 4.910 1.862 ( -1.184 -8.548 1.306) 8.728 1.957 ( 9.612 1.980 -1.771) 9.973 2.003 ( 3.065 2.124 1.891) 4.181 2.114 ( 1.271 1.620 6.490) 6.809 2.253 ( -0.501 0.435 4.378) 4.428 2.331 ( -2.542 -10.024 1.182) 10.409 2.365 ( -0.113 -3.388 0.519) 3.429 2.420 ( -0.041 -7.910 -2.740) 8.372 2.611 ( 1.872 0.543 1.769) 2.632 2.726 ( -3.011 -0.062 0.771) 3.109 2.804 ( 0.367 -1.962 -3.982) 4.455 2.831 ( -3.495 1.760 1.486) 4.186 2.924 ( 2.862 6.987 -2.168) 7.856 3.074 ( 3.881 -3.293 -10.215) 11.413 3.166 ( 3.796 2.081 -1.987) 4.764 3.301 ( -3.255 -0.465 0.302) 3.302 3.423 ( -1.824 2.739 -1.809) 3.755 3.493 ( -4.300 0.388 -4.155) 5.992 3.664 ( -2.243 0.520 0.892) 2.470 3.726 ( 1.876 -0.840 -4.318) 4.782 3.801 ( 0.379 -7.332 3.978) 8.351 3.841 ( -6.917 -1.045 4.787) 8.476 3.965 ( -0.290 -3.889 -0.581) 3.943 4.003 ( 2.367 -1.665 2.488) 3.816 4.082 ( -0.520 -6.624 0.368) 6.655 4.130 ( 6.289 -6.469 -1.240) 9.107 4.170 ( 3.965 1.941 -1.287) 4.598 4.264 ( 0.791 -0.225 -1.050) 1.334 4.321 ( 0.564 0.983 -3.051) 3.254 4.476 ( 3.121 -0.210 0.981) 3.279 4.505 ( -1.181 0.728 -2.823) 3.146 4.565 ( 1.768 -1.516 6.613) 7.011 4.732 ( 1.811 4.798 -3.239) 6.066 4.783 ( 1.014 -0.706 1.475) 1.924 4.848 ( -1.826 5.029 -3.416) 6.348 4.910 ( -1.614 -0.498 -0.562) 1.780 4.984 ( 1.069 -0.576 0.622) 1.364 5.106 ( -0.095 1.412 2.187) 2.605 5.156 ( -0.241 -2.203 0.584) 2.292 5.215 ( 0.008 2.162 -1.203) 2.474 5.314 ( -3.147 1.275 0.006) 3.396 5.422 ( 2.541 -0.268 -2.074) 3.291 5.596 ( 5.711 2.470 3.678) 7.228 5.747 ( 5.412 -0.425 1.190) 5.558 5.819 ( -4.268 0.998 5.772) 7.247 5.989 ( -1.422 0.117 -0.261) 1.450 6.065 ( 1.705 1.004 2.673) 3.326 6.228 ( -0.180 -1.072 1.978) 2.257 6.299 ( -1.407 2.323 -0.638) 2.790 6.359 ( -0.650 -0.457 -5.741) 5.796 6.550 ( -4.297 -2.534 -1.139) 5.117 6.821 ( -4.415 3.023 -7.231) 8.996 7.278 ( 0.128 -0.106 3.692) 3.695 7.336 ( 0.266 0.670 1.146) 1.354 ======================= Grid point 108 (52/88) ======================= q-point: ( 0.14 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( 14.372 0.000 13.960) 20.036 1.067 ( 6.858 0.000 4.683) 8.304 1.110 ( 9.004 0.000 2.521) 9.350 1.326 ( 3.087 0.000 -14.715) 15.035 1.521 ( 2.819 0.000 10.611) 10.979 1.692 ( -11.660 -0.000 -2.694) 11.967 1.801 ( 6.862 0.000 -2.651) 7.356 2.126 ( -7.241 -0.000 -7.170) 10.190 2.134 ( 1.645 0.000 10.799) 10.924 2.206 ( 11.350 0.000 -5.777) 12.736 2.284 ( -10.683 -0.000 3.210) 11.155 2.340 ( -4.017 -0.000 7.716) 8.699 2.397 ( 1.609 0.000 9.560) 9.694 2.418 ( 0.833 0.000 -3.804) 3.894 2.642 ( -5.399 -0.000 -4.348) 6.932 2.657 ( -7.316 -0.000 4.563) 8.623 2.690 ( 1.500 0.000 -2.380) 2.813 2.784 ( -1.351 -0.000 0.549) 1.459 2.909 ( 8.188 0.000 -1.517) 8.328 2.931 ( 3.744 0.000 -13.100) 13.625 3.050 ( -8.347 -0.000 -1.528) 8.486 3.268 ( 5.529 0.000 7.090) 8.991 3.367 ( -2.005 -0.000 -0.565) 2.083 3.485 ( 0.700 0.000 -2.951) 3.033 3.599 ( -2.028 -0.000 0.280) 2.047 3.687 ( -4.742 -0.000 0.904) 4.827 3.819 ( -0.264 -0.000 4.574) 4.582 3.895 ( -1.834 -0.000 4.127) 4.516 4.002 ( -2.569 -0.000 2.507) 3.589 4.084 ( -0.452 -0.000 4.179) 4.204 4.145 ( -1.466 -0.000 -3.920) 4.186 4.226 ( 1.292 0.000 -6.618) 6.743 4.242 ( 0.404 0.000 -0.992) 1.071 4.300 ( -4.143 -0.000 -3.549) 5.455 4.316 ( -0.530 -0.000 0.260) 0.590 4.353 ( 5.682 0.000 -4.305) 7.129 4.472 ( -1.152 -0.000 -3.284) 3.480 4.604 ( 3.850 0.000 -0.680) 3.909 4.752 ( -0.769 -0.000 -0.012) 0.769 4.783 ( -7.060 -0.000 2.775) 7.586 4.858 ( 1.353 0.000 12.397) 12.470 4.874 ( -4.199 -0.000 -1.397) 4.425 4.976 ( 1.078 0.000 -2.945) 3.136 5.039 ( 2.998 0.000 -6.563) 7.216 5.172 ( 0.659 0.000 0.248) 0.704 5.233 ( 9.346 0.000 1.447) 9.458 5.291 ( -3.229 -0.000 3.480) 4.747 5.362 ( -4.560 -0.000 -1.528) 4.809 5.574 ( -9.106 -0.000 2.552) 9.457 5.619 ( -3.956 -0.000 -1.158) 4.122 5.969 ( 3.070 0.000 0.568) 3.122 6.069 ( 11.994 0.000 6.252) 13.526 6.145 ( 0.827 0.000 2.298) 2.443 6.198 ( -0.464 -0.000 -5.041) 5.062 6.205 ( -4.804 -0.000 2.037) 5.218 6.469 ( 3.514 0.000 -4.349) 5.591 6.599 ( -1.077 -0.000 -3.959) 4.103 6.682 ( 7.805 0.000 -1.929) 8.040 7.324 ( 0.029 0.000 1.664) 1.664 7.356 ( 1.596 0.000 -0.150) 1.603 ======================= Grid point 109 (53/88) ======================= q-point: ( 0.29 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.130 ( 7.948 -2.264 -3.955) 9.162 1.217 ( 10.577 2.211 11.289) 15.626 1.292 ( 6.903 -1.276 -9.078) 11.476 1.303 ( 4.073 -5.558 7.987) 10.549 1.516 ( -8.131 2.793 1.833) 8.790 1.689 ( 0.928 -3.661 1.869) 4.214 1.843 ( 3.992 0.372 -3.047) 5.036 1.975 ( -6.545 3.576 -4.025) 8.475 2.120 ( -5.664 4.837 -0.833) 7.495 2.226 ( 0.472 4.290 8.739) 9.747 2.270 ( -0.606 2.450 3.038) 3.949 2.344 ( 2.762 -1.684 -3.328) 4.641 2.359 ( 1.734 0.161 -2.843) 3.334 2.435 ( 0.783 4.097 4.316) 6.002 2.577 ( -3.431 -3.132 1.855) 5.003 2.630 ( -2.731 1.639 6.091) 6.874 2.698 ( 1.049 -1.021 -1.823) 2.338 2.803 ( 0.827 -1.934 -2.782) 3.488 2.939 ( 1.772 -3.185 -6.822) 7.734 3.013 ( 1.419 -5.235 -0.614) 5.458 3.022 ( 0.708 -2.324 -0.658) 2.517 3.362 ( 0.177 -0.563 2.532) 2.599 3.386 ( 2.219 -2.626 7.046) 7.840 3.435 ( -3.729 1.504 -1.617) 4.334 3.543 ( -4.034 2.591 0.181) 4.798 3.680 ( -3.026 -2.239 -0.321) 3.778 3.827 ( -0.411 1.947 3.652) 4.159 3.858 ( -1.985 4.841 0.852) 5.301 3.959 ( -0.117 4.345 6.499) 7.818 4.067 ( 0.609 8.115 -1.988) 8.377 4.075 ( -2.534 1.823 -4.705) 5.646 4.134 ( -2.451 3.668 -1.661) 4.714 4.140 ( -1.042 1.402 -1.065) 2.046 4.243 ( -2.784 0.271 -0.515) 2.844 4.327 ( 3.740 3.999 -5.417) 7.702 4.389 ( 2.194 -3.588 0.039) 4.206 4.463 ( -1.070 -0.866 -2.302) 2.682 4.645 ( -2.232 3.047 2.779) 4.690 4.715 ( -4.183 -3.519 -0.375) 5.479 4.796 ( -1.341 -5.100 -0.026) 5.273 4.852 ( 0.315 0.752 -0.446) 0.929 4.939 ( -0.660 -1.919 0.967) 2.247 4.975 ( -0.027 -2.203 -2.984) 3.709 5.065 ( 4.972 -0.083 0.392) 4.988 5.174 ( -0.626 0.559 -0.551) 1.004 5.271 ( -1.529 0.332 4.776) 5.026 5.311 ( -2.323 -1.745 -3.939) 4.895 5.395 ( 9.257 -3.459 1.820) 10.048 5.526 ( -6.954 -1.853 3.017) 7.804 5.611 ( -1.682 -2.767 -1.933) 3.771 5.998 ( 1.957 -0.222 0.862) 2.150 6.113 ( 0.457 1.221 -2.878) 3.160 6.130 ( -1.406 2.221 -0.859) 2.766 6.182 ( -0.362 -0.173 -1.140) 1.209 6.231 ( 4.436 0.478 4.858) 6.596 6.461 ( 4.047 1.242 -3.947) 5.788 6.577 ( 0.362 0.892 -1.454) 1.744 6.752 ( 4.700 -2.288 1.625) 5.474 7.334 ( -0.152 -0.306 1.027) 1.083 7.360 ( 1.281 1.073 -1.241) 2.082 ======================= Grid point 110 (54/88) ======================= q-point: ( 0.43 0.14 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( 4.934 -2.270 5.211) 7.527 1.301 ( 1.566 0.241 1.244) 2.015 1.343 ( 6.803 -5.969 -8.097) 12.144 1.441 ( -0.993 1.024 5.019) 5.218 1.507 ( -1.831 -6.807 9.474) 11.808 1.673 ( -7.621 1.190 0.476) 7.728 1.801 ( 2.645 5.311 -3.577) 6.928 1.854 ( -2.200 4.218 0.810) 4.826 1.987 ( -6.621 7.124 3.245) 10.253 2.074 ( -1.230 5.323 -0.958) 5.546 2.207 ( -3.985 7.404 -2.013) 8.646 2.321 ( 1.817 -1.979 -1.143) 2.919 2.442 ( 2.655 -4.882 -2.064) 5.928 2.511 ( 5.343 -3.366 -0.508) 6.335 2.608 ( -2.103 -0.314 2.226) 3.078 2.645 ( 3.533 2.552 3.358) 5.502 2.754 ( 5.454 -1.955 3.271) 6.654 2.817 ( 0.756 -1.252 -4.129) 4.380 2.953 ( 2.226 -0.412 -2.765) 3.573 3.034 ( -6.635 -2.341 2.199) 7.372 3.159 ( 8.662 -4.665 -1.063) 9.896 3.356 ( -5.659 0.247 1.313) 5.815 3.382 ( -0.633 0.483 1.583) 1.772 3.468 ( -3.752 1.857 0.015) 4.187 3.508 ( 0.481 -3.556 5.769) 6.794 3.665 ( -4.158 2.105 1.489) 4.893 3.752 ( 0.916 4.388 -1.652) 4.777 3.783 ( -1.569 3.099 0.795) 3.564 3.877 ( 2.429 5.395 3.450) 6.849 3.966 ( -3.443 1.726 -4.851) 6.194 3.986 ( 0.870 3.120 0.417) 3.266 4.083 ( 0.989 -1.614 -0.150) 1.899 4.154 ( -1.463 -0.658 0.700) 1.751 4.226 ( 0.307 1.662 -0.007) 1.690 4.261 ( -1.715 -0.763 -2.193) 2.887 4.390 ( -4.135 3.063 -2.827) 5.872 4.483 ( 2.465 -2.314 1.939) 3.897 4.600 ( 1.031 1.189 0.850) 1.789 4.709 ( -4.236 0.957 -5.291) 6.845 4.791 ( -1.494 -0.083 -4.741) 4.972 4.874 ( 1.099 -1.576 0.928) 2.134 4.993 ( 2.232 0.026 4.296) 4.841 5.040 ( -1.277 -6.613 1.460) 6.892 5.067 ( -0.498 2.060 0.598) 2.202 5.130 ( -2.578 0.497 -2.461) 3.599 5.316 ( 0.065 -2.456 -1.772) 3.029 5.343 ( 2.425 -2.629 1.858) 4.030 5.452 ( -1.725 -0.922 -0.533) 2.027 5.594 ( 2.347 -2.677 1.779) 3.980 5.676 ( 4.489 -3.709 0.107) 5.824 5.998 ( 0.205 4.284 0.168) 4.293 6.053 ( -2.776 0.208 -3.596) 4.547 6.082 ( -1.313 -1.325 -3.520) 3.983 6.173 ( 0.419 1.022 1.439) 1.814 6.259 ( 2.238 1.435 0.721) 2.755 6.457 ( 3.491 1.502 -1.188) 3.982 6.552 ( 0.857 1.817 -0.610) 2.100 6.861 ( 3.125 -3.378 5.112) 6.878 7.316 ( -0.368 3.001 -2.293) 3.794 7.344 ( -0.216 -0.474 0.585) 0.783 ======================= Grid point 111 (55/88) ======================= q-point: (-0.43 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( -6.094 2.804 4.533) 8.096 1.336 ( 3.130 0.093 7.224) 7.874 1.437 ( -2.613 2.531 2.939) 4.677 1.495 ( 1.277 0.370 -1.351) 1.895 1.544 ( 4.705 -6.661 -1.692) 8.329 1.680 ( -5.799 -9.184 2.453) 11.135 1.705 ( -3.713 7.334 -3.262) 8.844 1.830 ( 0.338 -4.881 -1.228) 5.045 1.863 ( -0.137 2.333 1.676) 2.876 2.003 ( -2.591 2.435 1.222) 3.760 2.043 ( -1.453 4.576 -2.216) 5.288 2.346 ( -1.026 2.083 3.544) 4.237 2.449 ( -3.028 8.379 4.618) 10.035 2.535 ( 0.314 -1.538 0.007) 1.569 2.590 ( 0.473 2.386 -0.038) 2.432 2.698 ( 6.611 -2.221 -4.329) 8.208 2.784 ( 1.889 0.041 -1.741) 2.569 2.860 ( 5.975 -0.037 -0.481) 5.994 2.992 ( -1.623 0.497 4.094) 4.432 3.024 ( -0.093 -2.839 -1.384) 3.159 3.265 ( 1.595 0.195 1.420) 2.144 3.337 ( -4.186 2.258 0.269) 4.764 3.357 ( 0.153 -1.085 1.376) 1.759 3.452 ( 3.758 -3.415 -2.258) 5.558 3.543 ( -0.106 0.282 0.193) 0.357 3.622 ( -5.543 -0.347 6.001) 8.176 3.680 ( 0.222 0.600 -5.085) 5.125 3.763 ( -3.549 0.893 2.299) 4.321 3.854 ( 1.545 0.280 0.269) 1.593 3.938 ( 0.752 -0.140 -5.258) 5.314 3.972 ( -0.302 -1.293 3.617) 3.853 4.119 ( 1.476 0.041 -3.244) 3.565 4.132 ( -0.682 0.860 1.432) 1.804 4.220 ( 3.964 -0.470 0.610) 4.038 4.289 ( -4.150 -4.037 2.219) 6.200 4.314 ( -1.169 -0.564 -1.823) 2.238 4.533 ( 1.862 3.274 -1.263) 3.973 4.561 ( -0.400 -0.877 -3.464) 3.596 4.669 ( 3.236 -0.446 -0.092) 3.268 4.755 ( -3.066 0.274 -1.478) 3.414 4.904 ( 2.003 -0.058 -0.594) 2.090 4.997 ( -0.703 2.445 3.805) 4.577 5.022 ( -2.657 1.023 1.178) 3.081 5.094 ( -1.851 -0.757 0.398) 2.039 5.181 ( -2.143 -6.998 0.102) 7.319 5.322 ( -0.550 1.699 -2.590) 3.146 5.376 ( -0.095 -1.933 -2.276) 2.988 5.473 ( 1.424 0.155 1.274) 1.917 5.655 ( 3.299 -0.495 1.904) 3.841 5.744 ( 4.092 0.654 -0.486) 4.172 5.877 ( -4.524 4.762 0.727) 6.608 6.028 ( 1.069 0.136 -4.149) 4.287 6.123 ( -2.727 -5.702 -2.089) 6.657 6.174 ( 2.430 1.678 3.000) 4.209 6.242 ( 0.979 0.442 -3.207) 3.383 6.442 ( 0.556 1.813 -0.701) 2.022 6.527 ( 2.417 2.663 1.884) 4.060 6.958 ( -0.145 -1.849 3.462) 3.928 7.241 ( -0.412 2.497 -1.494) 2.939 7.353 ( -0.175 -0.324 0.291) 0.469 ======================= Grid point 112 (56/88) ======================= q-point: (-0.29 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( -6.311 9.495 6.155) 12.956 1.207 ( -1.508 14.171 6.362) 15.607 1.464 ( -3.071 -5.327 3.736) 7.195 1.525 ( 1.178 4.552 -5.926) 7.565 1.579 ( 1.622 -4.535 -4.745) 6.761 1.637 ( -4.322 3.862 -2.896) 6.479 1.804 ( -0.329 -12.232 -0.825) 12.264 1.854 ( -5.422 1.431 -1.806) 5.891 1.912 ( 2.703 -5.175 5.019) 7.699 2.032 ( 5.322 -3.109 3.485) 7.080 2.063 ( 0.151 -7.817 0.584) 7.840 2.230 ( -9.027 5.442 5.907) 12.083 2.335 ( 2.354 7.408 3.980) 8.733 2.463 ( 2.510 9.335 2.984) 10.117 2.604 ( -1.251 -2.496 0.039) 2.792 2.713 ( -2.606 -0.784 -0.945) 2.881 2.820 ( 5.381 1.056 -0.348) 5.494 2.900 ( 2.825 0.694 0.592) 2.969 2.952 ( -2.443 -1.133 -3.366) 4.310 3.092 ( 5.694 0.230 -1.807) 5.978 3.219 ( -2.672 2.493 1.985) 4.159 3.294 ( -0.544 0.109 -0.659) 0.861 3.405 ( -3.342 -3.703 2.789) 5.715 3.505 ( 1.123 0.725 -1.132) 1.751 3.592 ( -1.160 -1.402 -0.980) 2.067 3.624 ( 1.601 -3.971 0.944) 4.384 3.687 ( -0.290 -4.538 -4.897) 6.683 3.705 ( -4.948 0.856 0.623) 5.060 3.878 ( -0.779 -1.587 0.892) 1.980 3.934 ( -2.985 1.655 0.438) 3.441 3.955 ( 3.253 -3.048 -5.079) 6.758 4.116 ( 2.280 1.344 -2.250) 3.474 4.179 ( 0.537 -2.546 0.495) 2.648 4.261 ( 1.367 -0.151 -2.171) 2.570 4.345 ( -1.329 -2.297 1.683) 3.142 4.379 ( 4.735 -4.470 2.041) 6.824 4.458 ( 1.871 1.766 1.517) 2.986 4.573 ( -0.000 0.890 -1.038) 1.367 4.715 ( 5.384 -1.340 -1.982) 5.892 4.753 ( -1.292 -2.359 3.351) 4.297 4.907 ( 1.416 1.044 -2.295) 2.891 4.941 ( -5.249 1.606 1.009) 5.582 5.000 ( -1.409 0.267 -0.112) 1.438 5.111 ( 1.071 0.079 4.059) 4.199 5.193 ( -2.419 3.406 -1.781) 4.542 5.277 ( -4.776 -2.355 -2.955) 6.090 5.390 ( 1.417 0.570 -1.931) 2.462 5.462 ( 2.132 2.153 0.036) 3.030 5.678 ( 3.572 2.314 3.800) 5.706 5.746 ( -1.807 1.650 0.314) 2.467 5.815 ( -1.523 -1.364 2.490) 3.222 6.012 ( 1.197 0.525 -3.683) 3.908 6.126 ( -3.796 0.763 1.609) 4.193 6.201 ( 1.456 -0.376 -0.704) 1.660 6.258 ( 1.140 -3.299 -4.421) 5.633 6.399 ( 1.072 2.365 -1.666) 3.085 6.529 ( 3.574 2.171 4.312) 6.007 6.925 ( -4.827 2.520 -3.259) 6.346 7.243 ( 1.573 -1.084 2.786) 3.378 7.356 ( -0.105 -0.005 0.172) 0.202 ======================= Grid point 113 (57/88) ======================= q-point: (-0.14 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.921 ( -3.497 12.054 8.061) 14.917 1.014 ( 1.943 11.971 11.907) 16.996 1.349 ( -0.788 6.729 -10.017) 12.093 1.490 ( -3.462 4.112 -3.099) 6.205 1.559 ( -5.137 -2.842 -2.412) 6.347 1.677 ( 4.968 -3.600 -1.797) 6.393 1.762 ( -2.668 2.945 13.050) 13.642 2.026 ( -0.227 -8.678 -0.544) 8.698 2.054 ( 3.200 -3.734 1.810) 5.240 2.099 ( -5.488 -0.289 3.586) 6.562 2.184 ( 2.760 -4.944 -2.689) 6.269 2.229 ( 1.519 -6.975 -1.248) 7.247 2.281 ( 0.183 0.714 4.102) 4.168 2.365 ( 0.877 4.379 5.480) 7.069 2.618 ( -1.702 -0.491 0.252) 1.789 2.703 ( -2.866 -0.344 2.000) 3.512 2.811 ( 0.069 2.067 0.426) 2.112 2.883 ( 2.277 2.365 0.199) 3.289 2.968 ( 3.749 -0.601 -7.105) 8.056 3.037 ( -3.219 3.330 -3.798) 5.990 3.226 ( 3.234 -0.130 1.263) 3.474 3.280 ( -1.223 1.391 -0.430) 1.901 3.406 ( -5.867 0.642 1.092) 6.002 3.470 ( 0.019 0.332 -2.462) 2.484 3.639 ( -5.418 -1.659 -0.025) 5.666 3.655 ( 1.208 -4.198 -0.626) 4.413 3.724 ( 0.852 -4.380 1.757) 4.795 3.761 ( -0.937 -4.732 -1.189) 4.969 3.890 ( -2.030 0.852 0.501) 2.258 3.939 ( -2.019 -6.295 0.867) 6.668 4.054 ( 5.964 -5.540 -1.343) 8.250 4.098 ( 2.836 2.079 -0.488) 3.550 4.208 ( 2.182 -1.081 -5.366) 5.893 4.239 ( -0.837 0.074 -2.776) 2.900 4.339 ( -0.480 0.390 -1.024) 1.196 4.432 ( -0.244 -1.078 -3.432) 3.606 4.541 ( 3.948 1.939 1.741) 4.731 4.589 ( 1.446 -3.184 9.561) 10.181 4.750 ( -3.289 0.878 -2.462) 4.202 4.813 ( 1.119 -0.692 -0.710) 1.495 4.829 ( -1.421 1.283 0.776) 2.066 4.947 ( 2.049 -1.264 0.839) 2.550 4.976 ( 0.606 1.778 0.335) 1.908 5.123 ( -1.062 0.128 1.108) 1.539 5.145 ( 1.866 -0.254 1.638) 2.496 5.232 ( -4.362 0.535 -4.496) 6.287 5.341 ( 0.974 4.165 0.193) 4.281 5.446 ( 1.111 1.843 -2.009) 2.944 5.670 ( -1.984 1.866 2.783) 3.894 5.735 ( -1.918 -1.465 2.626) 3.567 5.848 ( 1.551 0.288 3.117) 3.494 5.978 ( -0.992 1.362 -2.552) 3.058 6.100 ( -1.845 0.045 2.427) 3.049 6.212 ( -0.081 -0.901 -0.371) 0.978 6.277 ( -0.797 -0.600 -1.889) 2.137 6.383 ( 6.172 0.570 -4.703) 7.781 6.559 ( 4.587 1.329 4.330) 6.447 6.794 ( -5.080 3.236 -6.052) 8.538 7.293 ( 0.599 -0.785 3.054) 3.210 7.353 ( 0.105 0.365 0.210) 0.434 ======================= Grid point 116 (58/88) ======================= q-point: ( 0.29 0.29 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( 10.235 0.000 -8.296) 13.175 1.233 ( 3.153 0.000 -10.845) 11.294 1.366 ( 2.016 0.000 5.904) 6.239 1.441 ( 7.827 0.000 14.415) 16.403 1.451 ( -7.020 -0.000 2.991) 7.630 1.744 ( 10.445 0.000 3.459) 11.003 1.789 ( -8.624 -0.000 -6.821) 10.996 1.950 ( 4.877 0.000 -3.729) 6.139 2.117 ( -11.347 -0.000 3.177) 11.783 2.292 ( 2.992 0.000 5.226) 6.022 2.298 ( 0.534 0.000 -3.610) 3.649 2.325 ( -2.084 -0.000 -5.719) 6.087 2.403 ( 4.920 0.000 2.566) 5.549 2.520 ( -1.831 -0.000 7.051) 7.285 2.537 ( -9.158 -0.000 4.285) 10.111 2.587 ( 3.092 0.000 -3.105) 4.382 2.737 ( 5.139 0.000 3.234) 6.072 2.823 ( 4.413 0.000 1.031) 4.532 2.884 ( 5.928 0.000 -7.496) 9.557 2.892 ( -7.589 -0.000 1.345) 7.708 3.062 ( 7.686 0.000 -0.806) 7.728 3.345 ( -2.604 -0.000 3.599) 4.442 3.389 ( -4.792 -0.000 -4.389) 6.498 3.454 ( 0.148 0.000 9.789) 9.790 3.556 ( -1.854 -0.000 -0.530) 1.929 3.586 ( -7.772 -0.000 1.657) 7.946 3.854 ( 0.070 0.000 0.813) 0.816 3.911 ( -3.143 -0.000 5.084) 5.977 3.996 ( -1.790 -0.000 1.768) 2.516 4.027 ( -2.126 -0.000 -7.972) 8.251 4.117 ( -0.292 -0.000 4.535) 4.544 4.171 ( -0.351 -0.000 -0.392) 0.526 4.211 ( -4.369 -0.000 1.760) 4.710 4.239 ( 0.524 0.000 0.095) 0.533 4.324 ( 0.246 0.000 -1.689) 1.707 4.396 ( 6.627 0.000 -5.344) 8.514 4.449 ( 0.380 0.000 -2.626) 2.653 4.609 ( -5.043 -0.000 1.234) 5.192 4.690 ( -3.597 -0.000 2.109) 4.170 4.702 ( -2.467 -0.000 -4.010) 4.708 4.812 ( -1.596 -0.000 1.884) 2.470 4.859 ( 0.693 0.000 -14.544) 14.560 5.021 ( 1.157 0.000 7.935) 8.018 5.131 ( 8.458 0.000 -0.856) 8.501 5.181 ( -0.198 -0.000 0.041) 0.202 5.251 ( -3.036 -0.000 -2.167) 3.730 5.276 ( -3.109 -0.000 4.619) 5.568 5.459 ( -5.787 -0.000 2.814) 6.435 5.461 ( 10.303 0.000 1.471) 10.408 5.549 ( -1.850 -0.000 -3.772) 4.201 5.994 ( -2.117 -0.000 -0.145) 2.122 6.065 ( -2.985 -0.000 -5.512) 6.269 6.166 ( -0.991 -0.000 1.241) 1.588 6.169 ( 3.969 0.000 -3.187) 5.090 6.304 ( 1.320 0.000 3.193) 3.455 6.468 ( 3.232 0.000 -5.599) 6.465 6.659 ( 5.937 0.000 8.017) 9.977 6.759 ( 2.748 0.000 1.572) 3.166 7.327 ( -0.867 -0.000 -0.151) 0.880 7.384 ( 2.686 0.000 -1.840) 3.256 ======================= Grid point 117 (59/88) ======================= q-point: ( 0.43 0.29 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.215 ( 8.091 -3.355 -5.785) 10.497 1.236 ( -4.477 -4.716 -2.487) 6.962 1.328 ( 1.441 0.113 -7.657) 7.792 1.489 ( -0.372 0.789 7.798) 7.847 1.519 ( -2.723 1.287 10.646) 11.064 1.661 ( 0.075 3.279 0.520) 3.321 1.853 ( 3.497 1.244 2.550) 4.503 1.970 ( -1.647 6.187 2.102) 6.739 2.021 ( -1.638 -0.037 2.397) 2.903 2.167 ( -6.029 6.719 -2.632) 9.403 2.278 ( -2.194 5.284 -2.385) 6.199 2.313 ( 3.608 0.466 -0.896) 3.747 2.383 ( 0.085 0.481 -5.710) 5.731 2.508 ( 5.883 -2.770 -0.358) 6.512 2.577 ( -3.801 -3.098 4.084) 6.381 2.670 ( 0.506 -4.457 -0.480) 4.512 2.808 ( 1.277 2.074 -0.935) 2.608 2.824 ( 7.722 -0.561 5.685) 9.606 2.924 ( 0.496 -3.069 2.448) 3.957 2.961 ( 4.904 -3.535 -2.705) 6.622 3.151 ( 6.712 -3.121 0.354) 7.410 3.291 ( -7.621 0.544 -4.215) 8.726 3.372 ( -2.263 -2.059 3.648) 4.761 3.466 ( -5.806 1.792 4.281) 7.433 3.503 ( -2.575 -0.006 6.052) 6.577 3.611 ( -4.260 -3.166 2.342) 5.801 3.816 ( -0.159 4.099 -3.199) 5.202 3.869 ( -2.268 3.649 4.521) 6.237 3.945 ( -1.455 2.489 -5.401) 6.123 4.011 ( -0.157 -0.594 1.552) 1.669 4.070 ( 0.762 8.241 -2.250) 8.577 4.102 ( 1.159 5.821 0.845) 5.995 4.176 ( 0.343 -0.499 5.127) 5.162 4.182 ( -3.030 1.010 2.145) 3.847 4.319 ( 1.686 4.422 -4.876) 6.795 4.417 ( -0.995 2.281 -0.728) 2.593 4.447 ( 2.518 -4.314 -0.597) 5.031 4.620 ( -3.227 -1.615 1.886) 4.071 4.656 ( -0.137 -0.885 -1.696) 1.918 4.731 ( -3.028 -0.917 -2.905) 4.295 4.781 ( -1.662 -5.440 -10.687) 12.106 4.876 ( -0.426 -5.385 1.324) 5.562 5.063 ( 0.728 -0.433 3.628) 3.725 5.120 ( -1.006 3.664 -0.373) 3.818 5.155 ( -0.071 4.144 1.021) 4.268 5.254 ( 2.486 -2.877 -4.824) 6.143 5.331 ( 1.597 -3.241 4.830) 6.032 5.417 ( -2.739 0.393 1.282) 3.050 5.545 ( -0.261 -3.251 -3.621) 4.874 5.634 ( 6.939 -7.441 1.189) 10.244 5.969 ( -4.261 -0.457 -0.368) 4.301 6.020 ( -2.161 -0.690 -5.014) 5.503 6.102 ( -0.445 5.242 -1.241) 5.405 6.201 ( 3.121 -0.045 -1.127) 3.318 6.296 ( -1.546 1.198 0.902) 2.154 6.466 ( 2.648 -0.289 -4.968) 5.637 6.696 ( 5.659 5.351 8.147) 11.271 6.857 ( 2.874 -3.430 6.259) 7.694 7.316 ( -1.549 -0.183 -1.475) 2.147 7.372 ( 2.091 2.244 -2.141) 3.740 ======================= Grid point 118 (60/88) ======================= q-point: ( 0.57 0.29 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.226 ( -11.796 -2.403 4.472) 12.842 1.342 ( 5.877 -5.865 -2.467) 8.662 1.397 ( 9.711 -6.031 -8.168) 14.050 1.478 ( -5.881 -3.748 0.095) 6.975 1.529 ( -4.920 1.358 10.752) 11.902 1.653 ( 2.988 6.189 6.973) 9.791 1.789 ( 1.592 3.460 -0.722) 3.876 1.823 ( -3.985 8.795 2.477) 9.968 1.940 ( -3.313 6.367 0.311) 7.184 2.072 ( 1.834 2.743 2.486) 4.131 2.098 ( -3.308 6.687 -3.426) 8.209 2.370 ( 1.203 -1.848 -1.251) 2.535 2.416 ( 2.003 -4.954 -4.315) 6.868 2.560 ( -0.482 2.121 3.443) 4.073 2.601 ( -3.370 -2.720 0.594) 4.371 2.757 ( 1.503 -3.172 -2.798) 4.488 2.769 ( 5.118 3.155 -0.476) 6.031 2.903 ( 2.116 -1.123 -1.504) 2.829 2.975 ( 1.358 0.625 3.560) 3.861 3.052 ( 7.280 -0.689 0.939) 7.373 3.188 ( -7.840 -3.155 -0.496) 8.466 3.305 ( 1.667 -3.433 -0.417) 3.839 3.381 ( -1.279 0.958 1.967) 2.534 3.446 ( 2.273 -0.735 1.180) 2.665 3.518 ( -4.652 -1.499 4.254) 6.480 3.612 ( -6.151 0.464 4.557) 7.669 3.686 ( -0.375 5.282 -6.619) 8.476 3.802 ( -1.006 3.937 3.007) 5.055 3.898 ( 1.639 0.020 -0.698) 1.782 3.959 ( 1.400 4.197 -0.017) 4.424 3.984 ( 0.668 3.862 -1.113) 4.075 4.088 ( 0.460 -1.437 -1.560) 2.171 4.148 ( -3.779 -0.201 1.482) 4.064 4.236 ( 2.833 -1.255 4.525) 5.484 4.262 ( 2.613 1.963 -2.170) 3.922 4.324 ( -1.337 2.814 0.187) 3.121 4.531 ( 1.235 -2.042 1.072) 2.615 4.584 ( 0.336 2.226 -3.114) 3.843 4.686 ( 2.885 -2.183 -2.269) 4.271 4.704 ( -1.758 -1.116 -1.363) 2.489 4.842 ( -4.070 -5.478 -1.377) 6.962 4.988 ( -1.689 -5.205 0.429) 5.489 5.045 ( -2.918 0.836 -0.220) 3.043 5.069 ( -1.118 4.008 -1.055) 4.293 5.102 ( 1.834 -0.842 2.180) 2.970 5.311 ( 2.638 -2.644 -1.335) 3.967 5.344 ( -0.509 1.071 -3.216) 3.428 5.463 ( -0.552 -2.403 2.315) 3.382 5.622 ( 2.302 -5.679 0.234) 6.133 5.797 ( 4.570 -1.659 0.340) 4.874 5.909 ( -7.678 0.188 -3.772) 8.557 5.990 ( -0.485 2.511 -3.245) 4.132 6.000 ( -1.359 -0.719 -0.417) 1.593 6.221 ( 3.261 0.067 -1.310) 3.515 6.262 ( -1.466 1.544 0.744) 2.256 6.459 ( 1.979 0.625 -3.783) 4.315 6.692 ( 5.631 5.977 8.215) 11.615 6.955 ( 0.372 -1.180 4.917) 5.070 7.271 ( -0.967 2.132 -2.516) 3.437 7.345 ( 0.355 0.386 -1.094) 1.214 ======================= Grid point 119 (61/88) ======================= q-point: (-0.29 -0.71 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( -8.515 0.033 5.231) 9.993 1.432 ( -0.258 4.632 2.261) 5.160 1.483 ( 0.821 -0.668 5.548) 5.648 1.531 ( 4.022 5.234 -0.361) 6.611 1.560 ( 2.553 -8.798 -2.808) 9.582 1.594 ( -6.331 -2.125 1.508) 6.847 1.658 ( 1.154 3.959 -3.518) 5.420 1.774 ( -0.535 3.490 -2.082) 4.099 1.875 ( 0.761 -3.353 3.844) 5.157 1.984 ( -0.544 0.486 -2.090) 2.214 2.084 ( 2.113 0.456 5.309) 5.732 2.314 ( -6.300 5.697 2.864) 8.964 2.502 ( -0.352 -5.056 -1.443) 5.270 2.518 ( 2.685 5.061 3.825) 6.889 2.621 ( -1.555 0.176 0.491) 1.640 2.679 ( -0.385 3.799 -2.594) 4.616 2.848 ( 1.392 -1.725 -0.739) 2.337 2.888 ( -0.161 -0.708 -3.695) 3.765 2.987 ( 3.160 2.524 3.447) 5.314 3.109 ( -0.113 -2.227 2.623) 3.442 3.214 ( -5.808 1.432 -1.835) 6.257 3.247 ( -0.969 -1.002 -1.256) 1.876 3.403 ( 3.034 0.528 3.034) 4.323 3.502 ( -2.575 -1.223 1.045) 3.036 3.561 ( -5.231 0.804 2.071) 5.684 3.577 ( 4.983 -3.434 -1.854) 6.330 3.604 ( 0.863 -0.829 -2.961) 3.193 3.742 ( -0.593 4.079 1.173) 4.286 3.857 ( -3.846 2.540 0.318) 4.620 3.910 ( 3.694 -0.501 -4.927) 6.179 3.968 ( -0.175 1.276 0.208) 1.305 4.102 ( 1.276 -0.708 -2.882) 3.231 4.155 ( -1.941 -2.431 3.750) 4.872 4.234 ( -0.994 -0.085 -1.030) 1.434 4.323 ( 1.100 -0.899 3.170) 3.474 4.373 ( 7.726 -3.521 -0.806) 8.528 4.525 ( 3.145 1.626 1.588) 3.880 4.595 ( 0.992 -0.004 1.581) 1.866 4.679 ( -2.069 -1.393 -2.863) 3.797 4.759 ( 4.378 -2.193 -1.036) 5.005 4.873 ( -3.436 -1.521 -0.187) 3.762 4.959 ( -4.563 1.734 2.066) 5.301 4.996 ( 0.288 1.468 -0.375) 1.542 5.088 ( -1.717 -3.784 -3.675) 5.547 5.156 ( 1.370 -2.241 1.139) 2.863 5.280 ( -0.104 3.718 -1.674) 4.079 5.376 ( 1.490 -2.172 -0.560) 2.693 5.481 ( -0.566 -0.486 -0.759) 1.065 5.728 ( -3.173 0.296 4.908) 5.852 5.783 ( -0.673 -1.322 -0.470) 1.556 5.800 ( 0.277 3.623 -1.103) 3.797 5.991 ( 0.096 -2.007 -5.588) 5.938 6.018 ( -3.740 -3.197 1.385) 5.111 6.212 ( 0.183 0.622 -4.075) 4.126 6.259 ( 2.204 0.426 2.676) 3.493 6.437 ( 3.016 1.532 -4.056) 5.281 6.684 ( 5.469 5.425 7.859) 11.005 6.923 ( -4.512 3.619 -1.604) 6.002 7.253 ( 1.029 -0.708 1.587) 2.020 7.343 ( -0.417 -0.663 -1.198) 1.432 ======================= Grid point 120 (62/88) ======================= q-point: (-0.14 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( -3.974 6.734 7.384) 10.755 1.314 ( 3.510 11.542 6.924) 13.909 1.432 ( -3.484 1.580 2.279) 4.453 1.454 ( 0.108 4.919 -4.563) 6.710 1.542 ( 1.021 5.989 -5.503) 8.197 1.649 ( 5.672 -2.719 -3.527) 7.211 1.745 ( -3.047 -12.312 -0.478) 12.692 1.805 ( -0.180 -6.886 0.804) 6.935 1.983 ( -5.481 -3.899 -0.131) 6.727 2.038 ( 2.882 -5.511 2.486) 6.697 2.161 ( -3.267 1.990 3.971) 5.514 2.187 ( 1.226 -1.280 8.116) 8.307 2.436 ( 2.382 8.620 5.706) 10.608 2.530 ( 3.637 7.192 -1.944) 8.291 2.578 ( -1.223 -2.856 -0.401) 3.133 2.646 ( -3.949 -1.969 -1.749) 4.746 2.814 ( -3.912 0.251 -0.377) 3.938 2.943 ( 7.335 -0.576 -3.532) 8.161 2.975 ( -1.894 1.509 0.195) 2.429 3.047 ( -3.585 4.560 -2.998) 6.530 3.204 ( -2.672 -4.882 4.119) 6.924 3.263 ( -2.308 0.123 0.158) 2.317 3.431 ( 4.324 1.594 1.641) 4.892 3.483 ( -1.085 1.443 -0.924) 2.028 3.543 ( -5.318 -2.259 1.443) 5.956 3.605 ( -1.268 -2.920 0.695) 3.258 3.652 ( 0.626 -0.323 -0.857) 1.109 3.731 ( 5.297 -1.731 -1.773) 5.848 3.823 ( -4.127 -2.431 0.178) 4.793 3.924 ( 0.249 1.236 -0.072) 1.263 3.993 ( 4.263 -4.608 -1.409) 6.434 4.097 ( -0.119 -1.158 -3.012) 3.229 4.198 ( -1.707 -1.176 0.095) 2.076 4.213 ( 0.997 1.559 -3.086) 3.598 4.330 ( -0.013 0.692 0.713) 0.994 4.430 ( 2.897 0.208 -3.046) 4.209 4.574 ( -3.629 -0.564 1.341) 3.909 4.615 ( 4.090 -0.407 2.305) 4.712 4.716 ( 1.042 -2.276 2.565) 3.584 4.773 ( -0.253 -0.305 -5.021) 5.036 4.898 ( 1.058 0.588 3.536) 3.738 4.914 ( -2.684 -2.153 2.141) 4.052 5.001 ( 0.833 -0.014 0.345) 0.902 5.103 ( 1.288 -1.640 -4.208) 4.697 5.190 ( 0.420 -0.312 -1.017) 1.144 5.201 ( 1.403 4.380 1.093) 4.727 5.400 ( 0.324 0.522 0.403) 0.734 5.467 ( 0.306 1.088 -2.244) 2.513 5.682 ( -6.300 2.199 3.354) 7.468 5.714 ( -3.445 0.130 1.245) 3.666 5.890 ( 5.544 -1.801 3.616) 6.860 5.975 ( -0.097 0.108 -3.530) 3.533 6.051 ( -2.782 -3.014 1.656) 4.423 6.191 ( -0.305 -0.608 -2.379) 2.474 6.272 ( 0.476 0.762 0.337) 0.959 6.417 ( 4.899 1.220 -6.021) 7.857 6.689 ( 4.934 4.084 6.795) 9.338 6.781 ( -5.091 3.990 -4.800) 8.055 7.296 ( 0.268 -1.239 2.528) 2.828 7.346 ( -0.264 -0.779 -1.071) 1.350 ======================= Grid point 124 (63/88) ======================= q-point: ( 0.43 0.43 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.106 ( -13.252 -0.000 2.792) 13.543 1.220 ( 8.585 0.000 -6.657) 10.864 1.311 ( 8.146 0.000 -10.161) 13.023 1.407 ( -16.116 -0.000 -2.938) 16.382 1.592 ( 3.053 0.000 10.528) 10.962 1.818 ( 10.821 0.000 6.573) 12.661 1.927 ( -0.747 -0.000 6.201) 6.246 2.020 ( -0.555 -0.000 4.280) 4.316 2.025 ( 4.792 0.000 -1.252) 4.953 2.156 ( -7.585 -0.000 -2.732) 8.061 2.318 ( 4.441 0.000 -4.514) 6.332 2.326 ( -1.401 -0.000 -2.456) 2.827 2.381 ( -6.632 -0.000 -2.221) 6.994 2.487 ( 1.550 0.000 -3.281) 3.629 2.502 ( -11.655 -0.000 6.632) 13.410 2.616 ( 8.532 0.000 -5.189) 9.986 2.803 ( -4.447 -0.000 3.476) 5.644 2.919 ( 4.912 0.000 5.102) 7.082 2.940 ( 5.115 0.000 2.140) 5.544 2.999 ( 11.803 0.000 -1.569) 11.907 3.182 ( 5.200 0.000 1.941) 5.550 3.185 ( -8.352 -0.000 -7.571) 11.273 3.362 ( 0.277 0.000 4.118) 4.128 3.466 ( -7.174 -0.000 7.185) 10.153 3.498 ( -4.871 -0.000 5.592) 7.416 3.573 ( -1.660 -0.000 3.255) 3.654 3.842 ( -0.244 -0.000 -2.814) 2.824 3.876 ( -1.402 -0.000 -0.930) 1.683 3.968 ( -0.440 -0.000 0.331) 0.550 3.988 ( 0.407 0.000 0.951) 1.034 4.139 ( -4.545 -0.000 1.768) 4.877 4.185 ( -0.806 -0.000 -0.990) 1.277 4.216 ( 1.487 0.000 4.980) 5.197 4.267 ( 1.683 0.000 -4.838) 5.122 4.278 ( 1.467 0.000 3.551) 3.842 4.395 ( -1.214 -0.000 -5.656) 5.785 4.475 ( 5.697 0.000 -1.409) 5.868 4.542 ( -4.746 -0.000 5.419) 7.203 4.631 ( 0.625 0.000 -3.232) 3.292 4.636 ( -1.654 -0.000 -8.283) 8.446 4.715 ( -0.018 -0.000 -7.658) 7.658 4.823 ( -1.598 -0.000 3.469) 3.820 5.069 ( -0.817 -0.000 2.939) 3.050 5.156 ( -1.313 -0.000 -1.786) 2.217 5.171 ( -2.268 -0.000 -3.595) 4.251 5.272 ( 7.829 0.000 -0.566) 7.849 5.323 ( 0.194 0.000 6.856) 6.859 5.445 ( -0.359 -0.000 1.545) 1.586 5.449 ( -3.225 -0.000 -5.594) 6.457 5.585 ( 2.438 0.000 -2.111) 3.225 5.958 ( -0.338 -0.000 1.665) 1.699 5.975 ( -1.761 -0.000 -2.128) 2.763 6.138 ( -2.390 -0.000 -0.746) 2.504 6.218 ( 4.680 0.000 -3.795) 6.025 6.286 ( -4.465 -0.000 1.843) 4.830 6.453 ( 2.701 0.000 -5.823) 6.418 6.863 ( 4.504 0.000 5.892) 7.416 6.880 ( 3.406 0.000 11.330) 11.831 7.287 ( -2.092 -0.000 -2.058) 2.934 7.400 ( 2.566 0.000 -3.636) 4.451 ======================= Grid point 125 (64/88) ======================= q-point: (-0.43 -0.57 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( -15.327 -4.894 5.635) 17.048 1.265 ( -10.901 -3.638 -3.420) 11.990 1.311 ( 4.090 -4.213 -3.052) 6.617 1.368 ( 10.760 -2.767 -7.136) 13.204 1.641 ( 0.449 3.476 10.087) 10.678 1.861 ( 5.434 6.593 5.674) 10.257 1.907 ( 4.364 4.685 1.464) 6.567 1.972 ( 0.343 7.549 3.214) 8.211 2.011 ( -5.450 5.404 -1.128) 7.757 2.097 ( 0.307 -0.642 0.057) 0.713 2.213 ( -3.057 8.065 -1.450) 8.746 2.267 ( -5.417 -2.075 -4.355) 7.253 2.387 ( 2.996 -3.718 -0.678) 4.823 2.468 ( -6.018 -4.308 0.020) 7.401 2.545 ( -4.077 -4.648 1.604) 6.387 2.707 ( 6.490 -2.629 -3.637) 7.890 2.796 ( -2.105 -0.090 2.100) 2.974 2.930 ( 2.220 2.901 -0.939) 3.772 3.001 ( -4.374 -2.199 4.167) 6.429 3.072 ( 0.378 -0.769 -3.311) 3.420 3.132 ( 8.575 -1.145 -0.495) 8.665 3.253 ( 0.424 -2.383 -0.309) 2.440 3.403 ( -0.706 0.368 6.448) 6.497 3.454 ( -0.000 -1.610 2.953) 3.364 3.498 ( -0.987 0.734 3.172) 3.402 3.595 ( -2.428 -0.987 6.522) 7.029 3.757 ( 0.207 5.646 -6.182) 8.375 3.879 ( 1.251 -1.034 1.071) 1.944 3.922 ( -0.066 6.525 0.872) 6.583 4.023 ( -0.965 3.566 -3.137) 4.847 4.039 ( 0.351 -1.492 1.446) 2.108 4.107 ( -4.596 1.019 2.841) 5.498 4.172 ( 1.632 8.422 1.564) 8.720 4.283 ( 3.029 1.525 -3.101) 4.595 4.315 ( 4.826 0.557 -0.732) 4.913 4.351 ( -1.519 0.855 -1.390) 2.229 4.507 ( 0.703 -3.147 1.626) 3.611 4.580 ( 0.732 -0.778 -11.278) 11.328 4.593 ( -2.270 -0.909 1.172) 2.712 4.678 ( 0.723 -6.424 2.080) 6.791 4.705 ( -0.958 -2.767 -0.202) 2.935 4.882 ( -0.305 -4.691 1.268) 4.868 5.062 ( -3.846 3.359 0.025) 5.106 5.097 ( -0.084 -0.314 -0.390) 0.507 5.141 ( 0.507 2.492 -0.315) 2.563 5.292 ( 4.040 -0.150 -1.827) 4.436 5.357 ( -0.414 1.109 -2.015) 2.337 5.424 ( -1.502 -0.707 0.535) 1.744 5.510 ( 1.326 -8.235 -0.117) 8.342 5.664 ( -2.993 -8.082 -2.452) 8.961 5.919 ( -1.891 3.926 0.690) 4.412 5.979 ( 0.564 -0.379 1.594) 1.733 6.063 ( -1.783 4.542 -1.633) 5.146 6.228 ( 2.587 0.280 -5.000) 5.637 6.265 ( -2.915 -0.573 3.319) 4.454 6.451 ( 2.148 -0.627 -4.701) 5.207 6.887 ( 4.451 4.715 8.502) 10.692 6.983 ( 1.693 -0.635 6.226) 6.483 7.256 ( -2.169 -0.098 -2.159) 3.062 7.370 ( 1.470 2.398 -4.101) 4.973 ======================= Grid point 126 (65/88) ======================= q-point: (-0.29 -0.57 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( -12.509 -6.550 7.356) 15.922 1.266 ( -11.996 -10.450 -0.477) 15.916 1.437 ( 7.038 -3.639 -3.353) 8.604 1.502 ( 8.533 -4.542 -2.830) 10.072 1.607 ( -0.259 4.992 7.333) 8.875 1.783 ( 3.743 9.826 4.605) 11.479 1.797 ( 0.371 8.684 -1.644) 8.846 1.884 ( -2.443 3.506 1.829) 4.648 1.897 ( 5.200 6.182 2.316) 8.403 2.022 ( 0.672 5.216 -4.235) 6.752 2.128 ( -1.111 -0.378 2.678) 2.924 2.257 ( -6.215 -4.011 -4.803) 8.820 2.434 ( -7.037 -3.047 1.583) 7.830 2.512 ( -2.434 -1.085 2.917) 3.951 2.597 ( 0.080 -2.634 1.280) 2.930 2.722 ( -1.124 0.376 -0.606) 1.331 2.792 ( -2.603 -0.919 -3.452) 4.420 2.891 ( 3.548 1.439 -2.419) 4.529 3.004 ( -4.938 -1.674 3.382) 6.215 3.097 ( 0.202 0.020 3.590) 3.596 3.214 ( 0.150 0.375 -0.634) 0.751 3.240 ( 0.842 0.292 -1.207) 1.500 3.439 ( -1.242 -1.019 1.772) 2.392 3.461 ( 1.110 -0.559 2.666) 2.941 3.568 ( -1.920 4.414 -0.347) 4.826 3.584 ( 8.060 -2.219 0.155) 8.361 3.650 ( 1.834 3.432 1.973) 4.363 3.811 ( -0.268 4.374 1.790) 4.734 3.891 ( -1.131 3.054 -6.187) 6.991 3.961 ( -0.312 1.020 3.895) 4.038 3.995 ( 1.438 6.503 -1.315) 6.788 4.102 ( 1.134 0.184 -1.123) 1.606 4.112 ( -1.269 -2.043 1.610) 2.894 4.242 ( -0.775 2.315 -1.494) 2.862 4.342 ( 5.114 -3.667 -1.778) 6.539 4.379 ( 4.245 0.390 1.806) 4.629 4.541 ( -2.435 -1.738 -4.533) 5.431 4.584 ( 3.162 -2.034 -5.384) 6.567 4.633 ( 2.121 -2.364 5.921) 6.719 4.726 ( -0.829 -1.513 -1.851) 2.531 4.815 ( -1.170 -4.759 5.592) 7.435 4.945 ( -3.923 0.641 0.068) 3.975 4.993 ( -0.410 -1.757 -0.084) 1.806 5.038 ( -0.353 1.768 -1.917) 2.632 5.167 ( 3.604 -0.187 1.581) 3.939 5.291 ( 1.981 0.024 -8.379) 8.610 5.360 ( -0.192 -1.105 2.988) 3.192 5.438 ( -1.177 -2.732 -1.203) 3.209 5.664 ( -3.804 -6.261 3.291) 8.031 5.725 ( -5.875 -3.662 -1.488) 7.081 5.831 ( -0.141 2.816 0.533) 2.870 5.970 ( 0.677 3.076 -1.585) 3.526 6.003 ( 0.645 -0.387 2.221) 2.345 6.196 ( -0.230 0.683 -4.621) 4.677 6.288 ( 0.337 -0.469 2.628) 2.691 6.449 ( 2.374 0.065 -4.590) 5.168 6.878 ( 4.091 5.492 7.694) 10.301 6.959 ( -2.978 5.127 -1.052) 6.022 7.246 ( -0.683 -1.143 0.870) 1.591 7.324 ( 0.040 0.460 -3.085) 3.119 ======================= Grid point 127 (66/88) ======================= q-point: (-0.14 -0.57 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( -7.504 -4.322 9.804) 13.081 1.394 ( -9.911 -12.114 -0.161) 15.653 1.464 ( 0.049 2.424 2.182) 3.262 1.518 ( 0.456 6.112 -2.796) 6.736 1.621 ( 5.093 5.133 0.163) 7.232 1.658 ( 4.464 4.018 -0.139) 6.007 1.687 ( 6.791 3.635 -0.362) 7.711 1.785 ( 3.288 4.832 -1.092) 5.946 1.947 ( -1.097 1.348 -2.026) 2.669 1.952 ( 2.102 -4.279 2.231) 5.263 2.189 ( -0.729 -1.239 5.724) 5.902 2.205 ( -5.901 -0.164 0.867) 5.967 2.439 ( -11.234 -6.798 1.597) 13.228 2.507 ( -2.754 -1.191 1.263) 3.256 2.625 ( 1.247 1.729 0.768) 2.266 2.675 ( 3.002 4.032 -3.389) 6.063 2.771 ( -1.614 -0.545 -0.453) 1.763 2.911 ( -1.708 -1.747 -1.776) 3.021 2.990 ( -2.584 1.759 0.400) 3.151 3.075 ( -1.266 1.072 0.228) 1.675 3.181 ( 0.923 1.317 4.151) 4.452 3.258 ( -0.833 -0.665 0.477) 1.167 3.446 ( -0.047 -1.280 -1.800) 2.209 3.479 ( -1.494 1.814 -1.771) 2.942 3.518 ( 3.154 -0.207 0.581) 3.213 3.616 ( 0.405 1.866 3.553) 4.033 3.688 ( 4.570 0.827 3.021) 5.540 3.759 ( -0.083 3.968 -4.209) 5.785 3.801 ( 1.416 0.453 3.014) 3.360 3.921 ( 0.768 0.540 -1.884) 2.105 3.985 ( 1.926 -0.185 0.745) 2.074 4.083 ( 0.920 0.934 -2.937) 3.216 4.155 ( -2.108 -2.038 1.486) 3.287 4.221 ( -0.023 0.010 -0.857) 0.858 4.376 ( 2.398 1.936 -0.191) 3.087 4.424 ( 1.660 -1.336 -3.693) 4.263 4.517 ( -2.522 -1.417 -6.043) 6.699 4.638 ( 2.522 -0.148 -0.372) 2.554 4.701 ( 0.749 -1.821 -2.052) 2.844 4.746 ( 2.009 -1.316 3.173) 3.979 4.870 ( -4.826 0.093 2.329) 5.360 4.887 ( -2.296 -1.585 2.000) 3.433 5.005 ( 0.219 -0.650 1.103) 1.298 5.101 ( 6.164 -2.540 1.589) 6.854 5.199 ( 2.367 0.406 0.187) 2.409 5.269 ( 2.951 0.048 -5.614) 6.343 5.377 ( -2.644 -0.993 1.328) 3.121 5.470 ( 1.124 -0.555 -0.763) 1.467 5.660 ( -7.781 -0.749 0.564) 7.837 5.695 ( -3.704 0.910 3.888) 5.447 5.888 ( 0.883 -4.488 1.007) 4.683 5.949 ( 2.579 0.192 -0.485) 2.631 6.033 ( 1.170 -0.510 2.751) 3.033 6.160 ( -0.833 -0.118 -3.597) 3.694 6.299 ( 0.462 0.955 0.905) 1.394 6.435 ( 2.798 0.772 -5.709) 6.405 6.782 ( -6.662 6.047 -4.862) 10.227 6.864 ( 4.340 4.922 6.826) 9.469 7.272 ( -1.748 -1.815 0.113) 2.522 7.324 ( 0.734 -1.007 -0.490) 1.339 ======================= Grid point 132 (67/88) ======================= q-point: (-0.43 -0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( -15.908 -0.000 7.752) 17.696 1.064 ( -18.056 -0.000 -1.966) 18.163 1.332 ( 10.325 0.000 -2.507) 10.625 1.407 ( 11.047 0.000 -3.909) 11.719 1.734 ( -1.055 -0.000 8.720) 8.784 1.950 ( -4.972 -0.000 -6.841) 8.457 1.960 ( -0.578 -0.000 -0.130) 0.593 2.038 ( -12.161 -0.000 3.139) 12.559 2.065 ( 7.718 0.000 -0.187) 7.720 2.135 ( 6.029 0.000 4.179) 7.335 2.148 ( -7.614 -0.000 4.483) 8.835 2.281 ( -3.487 -0.000 0.570) 3.533 2.330 ( -0.593 -0.000 -5.894) 5.924 2.407 ( -0.971 -0.000 -3.179) 3.324 2.425 ( -2.897 -0.000 4.112) 5.030 2.755 ( 9.770 0.000 -3.829) 10.493 2.790 ( -4.085 -0.000 4.447) 6.039 2.905 ( -8.857 -0.000 -0.317) 8.863 2.990 ( 1.861 0.000 2.072) 2.785 3.056 ( 3.820 0.000 -3.029) 4.875 3.205 ( 6.146 0.000 0.365) 6.157 3.221 ( -1.170 -0.000 -2.207) 2.498 3.414 ( -1.449 -0.000 0.780) 1.645 3.490 ( 5.861 0.000 6.801) 8.978 3.575 ( -2.305 -0.000 5.243) 5.727 3.585 ( 3.883 0.000 8.177) 9.052 3.787 ( 0.174 0.000 -5.676) 5.678 3.878 ( 1.990 0.000 -2.846) 3.472 3.978 ( 1.232 0.000 1.158) 1.691 4.019 ( -3.462 -0.000 4.858) 5.965 4.077 ( -1.947 -0.000 0.849) 2.124 4.103 ( -2.412 -0.000 -0.712) 2.514 4.268 ( 3.084 0.000 -1.609) 3.478 4.284 ( -2.355 -0.000 -6.730) 7.130 4.331 ( 5.381 0.000 -0.668) 5.422 4.353 ( 1.099 0.000 -1.096) 1.553 4.498 ( 2.422 0.000 -7.529) 7.909 4.511 ( 0.393 0.000 -1.710) 1.754 4.600 ( -2.620 -0.000 11.670) 11.961 4.639 ( -2.305 -0.000 -2.287) 3.247 4.643 ( 2.884 0.000 -2.231) 3.646 4.856 ( 2.874 0.000 1.336) 3.169 5.069 ( -3.462 -0.000 1.780) 3.893 5.096 ( -1.002 -0.000 -3.677) 3.812 5.153 ( 1.635 0.000 3.238) 3.628 5.304 ( -5.050 -0.000 -5.840) 7.721 5.381 ( 5.067 0.000 -1.034) 5.171 5.400 ( -0.523 -0.000 5.204) 5.230 5.427 ( -0.287 -0.000 -4.122) 4.132 5.530 ( -3.347 -0.000 -2.370) 4.101 5.943 ( -3.909 -0.000 4.014) 5.603 6.007 ( 1.566 0.000 1.764) 2.359 6.073 ( -2.662 -0.000 -2.159) 3.427 6.231 ( -5.047 -0.000 4.152) 6.536 6.236 ( 4.087 0.000 -5.582) 6.918 6.436 ( 2.286 0.000 -4.002) 4.609 7.002 ( -1.421 -0.000 5.455) 5.637 7.037 ( 6.479 0.000 5.615) 8.573 7.225 ( -2.031 -0.000 -0.616) 2.122 7.379 ( 1.316 0.000 -6.617) 6.746 ======================= Grid point 133 (68/88) ======================= q-point: (-0.29 -0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.873 ( -14.114 -6.320 9.608) 18.206 0.971 ( -16.517 -7.783 0.808) 18.277 1.443 ( 10.367 -2.343 -1.246) 10.702 1.518 ( 10.755 -2.759 -0.753) 11.129 1.719 ( -1.898 4.039 4.779) 6.538 1.828 ( -7.920 0.780 -2.963) 8.492 1.898 ( -19.477 -6.303 1.057) 20.499 1.965 ( -3.475 4.429 2.392) 6.117 2.047 ( 2.996 9.099 -1.185) 9.653 2.066 ( 5.319 6.692 0.436) 8.559 2.131 ( 4.513 5.836 1.234) 7.480 2.228 ( -1.765 1.761 1.399) 2.859 2.325 ( -2.290 -3.177 -3.871) 5.507 2.461 ( -3.796 -5.986 -1.281) 7.203 2.527 ( 4.421 -4.137 4.576) 7.590 2.727 ( -3.051 2.494 1.842) 4.350 2.758 ( -1.548 0.426 -3.027) 3.427 2.942 ( -0.187 -3.306 1.932) 3.833 2.962 ( 3.003 3.311 0.808) 4.543 3.107 ( 1.029 -0.487 -2.870) 3.088 3.180 ( -3.126 -1.608 0.252) 3.525 3.241 ( -0.525 -0.551 -0.049) 0.763 3.434 ( 3.426 0.282 -1.006) 3.582 3.524 ( 2.073 2.296 7.428) 8.046 3.619 ( 5.153 -1.341 3.431) 6.334 3.669 ( 3.584 5.071 -2.629) 6.744 3.733 ( 2.430 0.136 3.258) 4.067 3.872 ( 1.547 0.493 -7.595) 7.767 3.920 ( -4.026 5.338 2.771) 7.237 3.989 ( -2.677 4.013 5.777) 7.526 4.051 ( -1.124 -2.409 1.002) 2.841 4.108 ( 2.143 -0.314 -0.178) 2.174 4.171 ( 0.845 7.305 -4.798) 8.780 4.268 ( -0.627 2.051 -2.186) 3.063 4.323 ( 3.148 2.181 -1.875) 4.264 4.410 ( 4.841 -5.219 -5.592) 9.052 4.471 ( 0.805 0.948 0.157) 1.254 4.539 ( 2.206 -3.081 -3.050) 4.864 4.599 ( -2.499 -3.319 -0.361) 4.171 4.699 ( 2.106 -2.576 2.298) 4.044 4.754 ( 0.112 -5.534 9.477) 10.976 4.917 ( 2.170 -2.170 -0.154) 3.072 5.015 ( -1.335 2.744 2.220) 3.774 5.044 ( -1.306 2.220 -3.640) 4.459 5.201 ( 1.162 -0.839 2.852) 3.192 5.260 ( -0.231 -1.650 -6.783) 6.984 5.329 ( -1.979 1.711 -1.445) 2.989 5.394 ( 1.088 -0.961 -0.214) 1.467 5.522 ( -3.598 -5.858 0.020) 6.875 5.581 ( -2.147 -7.522 1.130) 7.904 5.894 ( -4.562 3.620 4.795) 7.544 6.015 ( -1.602 1.818 0.261) 2.437 6.022 ( 1.196 0.453 -0.447) 1.355 6.189 ( -0.698 1.579 -1.793) 2.489 6.276 ( 0.543 -2.202 0.648) 2.358 6.440 ( 2.200 -0.323 -3.605) 4.236 6.976 ( -2.699 2.720 -0.201) 3.837 7.072 ( 3.747 5.160 2.264) 6.767 7.223 ( -1.434 -0.779 1.867) 2.480 7.318 ( -0.503 1.434 -5.673) 5.873 ======================= Grid point 134 (69/88) ======================= q-point: (-0.14 -0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( -9.405 -9.848 10.269) 17.056 1.054 ( -12.236 -13.684 2.600) 18.540 1.525 ( 3.696 1.426 -0.532) 3.998 1.605 ( 4.500 2.002 -2.003) 5.317 1.685 ( 3.389 1.749 0.811) 3.899 1.795 ( 3.381 1.593 -1.095) 3.894 1.836 ( -5.640 0.130 -1.426) 5.819 1.865 ( -1.935 5.180 1.126) 5.643 1.945 ( -13.746 -6.969 1.050) 15.447 1.976 ( 6.557 8.587 0.327) 10.809 2.088 ( 2.286 3.923 3.223) 5.568 2.192 ( -0.574 0.869 2.277) 2.504 2.320 ( -2.484 -0.282 -1.688) 3.017 2.467 ( -8.638 -0.558 -0.949) 8.708 2.579 ( -2.234 -1.842 5.286) 6.027 2.722 ( 1.805 0.755 -2.043) 2.828 2.793 ( 6.942 -1.796 -0.646) 7.199 2.889 ( -3.377 2.204 -0.197) 4.038 2.996 ( -2.338 0.908 1.199) 2.780 3.067 ( -0.305 -0.881 -0.823) 1.244 3.183 ( -3.596 -1.127 -2.812) 4.701 3.274 ( 3.614 0.163 4.352) 5.659 3.436 ( 1.283 0.585 -1.163) 1.828 3.527 ( -1.050 5.101 0.162) 5.211 3.571 ( 4.622 1.654 0.199) 4.914 3.679 ( 1.332 2.234 2.209) 3.412 3.774 ( 4.574 1.691 4.088) 6.364 3.800 ( -1.258 2.838 -3.810) 4.915 3.869 ( 3.032 2.135 3.252) 4.932 3.977 ( -1.778 4.010 -2.680) 5.141 3.981 ( -0.644 -0.496 1.220) 1.466 4.090 ( 0.985 0.839 -3.337) 3.579 4.127 ( 3.097 0.504 -1.223) 3.367 4.234 ( 0.163 1.497 0.577) 1.613 4.333 ( 0.391 -3.070 -4.276) 5.278 4.430 ( 0.951 -0.179 -5.390) 5.476 4.459 ( -0.465 0.853 0.581) 1.132 4.619 ( 0.102 -3.068 -2.984) 4.281 4.687 ( 5.531 -1.294 -0.751) 5.729 4.758 ( 2.285 -1.916 0.467) 3.018 4.863 ( -3.520 0.527 7.236) 8.064 4.884 ( -2.588 1.353 4.304) 5.201 5.005 ( 1.074 -0.018 0.456) 1.167 5.090 ( 5.054 -6.094 2.168) 8.208 5.203 ( -1.418 -0.589 -7.922) 8.069 5.252 ( 3.577 1.056 2.158) 4.309 5.327 ( -0.782 -3.621 -2.666) 4.564 5.451 ( -0.065 -2.237 1.284) 2.580 5.561 ( -4.213 -3.591 0.041) 5.536 5.677 ( -3.742 -3.043 3.873) 6.185 5.844 ( -2.929 0.227 4.415) 5.304 5.990 ( 3.387 0.747 -0.688) 3.536 6.039 ( 0.046 -1.238 0.828) 1.490 6.149 ( 0.349 1.354 -1.527) 2.071 6.313 ( 0.412 -0.717 0.918) 1.236 6.434 ( 1.737 0.492 -4.360) 4.719 6.808 ( -7.931 7.699 -6.682) 12.916 7.008 ( 1.375 4.118 2.828) 5.181 7.220 ( -2.371 -0.782 -0.542) 2.555 7.313 ( 1.012 -1.230 0.630) 1.713 ======================= Grid point 140 (70/88) ======================= q-point: (-0.29 -0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.747 ( -18.408 -0.000 4.611) 18.977 0.749 ( -14.078 -0.000 11.666) 18.284 1.525 ( 12.208 0.000 0.147) 12.209 1.533 ( -17.473 -0.000 7.206) 18.900 1.622 ( -6.339 -0.000 4.938) 8.035 1.766 ( -5.600 -0.000 -6.439) 8.533 1.778 ( -0.474 -0.000 1.621) 1.689 2.000 ( -2.044 -0.000 1.718) 2.670 2.060 ( -13.089 -0.000 -10.184) 16.584 2.206 ( 8.327 0.000 -1.094) 8.399 2.215 ( -6.682 -0.000 3.217) 7.416 2.229 ( 0.421 0.000 -0.047) 0.424 2.286 ( 10.416 0.000 3.455) 10.974 2.449 ( -0.650 -0.000 3.398) 3.459 2.529 ( 12.391 0.000 0.854) 12.421 2.713 ( -4.574 -0.000 -1.685) 4.874 2.752 ( -4.244 -0.000 3.009) 5.203 2.921 ( 0.678 0.000 1.038) 1.240 3.054 ( 0.838 0.000 -3.251) 3.357 3.054 ( 1.247 0.000 -2.628) 2.909 3.166 ( 0.732 0.000 1.949) 2.082 3.208 ( 1.993 0.000 -5.398) 5.754 3.467 ( 2.613 0.000 -1.136) 2.849 3.617 ( 0.361 0.000 4.095) 4.111 3.675 ( 4.789 0.000 5.695) 7.441 3.719 ( 0.305 0.000 -5.294) 5.302 3.748 ( 5.091 0.000 3.304) 6.069 3.858 ( 1.655 0.000 -3.807) 4.152 3.965 ( -8.098 -0.000 7.538) 11.063 4.026 ( 3.107 0.000 -1.627) 3.507 4.098 ( 2.547 0.000 -1.765) 3.099 4.117 ( 0.194 0.000 3.988) 3.993 4.209 ( 1.062 0.000 -0.761) 1.307 4.286 ( 0.981 0.000 -5.108) 5.201 4.319 ( 2.761 0.000 0.812) 2.878 4.377 ( -0.900 -0.000 0.486) 1.023 4.472 ( -3.859 -0.000 -4.711) 6.090 4.494 ( 2.955 0.000 -4.915) 5.735 4.574 ( 3.082 0.000 0.864) 3.201 4.666 ( 1.620 0.000 0.231) 1.637 4.801 ( 4.030 0.000 15.197) 15.723 4.915 ( 3.946 0.000 -2.867) 4.878 5.041 ( -2.195 -0.000 -2.688) 3.471 5.045 ( -1.819 -0.000 1.151) 2.153 5.163 ( -2.318 -0.000 -3.824) 4.472 5.217 ( -0.028 -0.000 1.944) 1.944 5.374 ( 1.964 0.000 -2.134) 2.900 5.407 ( -5.586 -0.000 4.121) 6.941 5.426 ( 1.836 0.000 -2.083) 2.776 5.473 ( -0.997 -0.000 1.396) 1.716 5.909 ( -7.822 -0.000 7.486) 10.827 6.016 ( -0.391 -0.000 -1.782) 1.824 6.018 ( -0.561 -0.000 -1.248) 1.368 6.216 ( -3.419 -0.000 5.867) 6.791 6.248 ( 4.164 0.000 -4.506) 6.135 6.439 ( 2.190 0.000 -2.847) 3.592 6.963 ( -2.714 -0.000 -3.847) 4.708 7.146 ( 0.179 0.000 -7.652) 7.654 7.223 ( -1.524 -0.000 4.571) 4.818 7.287 ( -0.705 -0.000 -3.957) 4.019 ======================= Grid point 141 (71/88) ======================= q-point: (-0.14 -0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.734 ( -13.240 -10.352 8.216) 18.708 0.785 ( -11.966 -9.023 10.314) 18.193 1.471 ( -26.714 -12.106 14.337) 32.645 1.593 ( 2.888 2.816 -0.282) 4.043 1.629 ( -6.281 1.407 -4.314) 7.748 1.719 ( 9.328 -2.213 0.471) 9.598 1.821 ( 6.119 -1.485 -1.807) 6.551 1.867 ( -6.472 2.377 -3.592) 7.774 2.026 ( -2.355 6.588 -4.489) 8.313 2.073 ( -2.779 -2.369 2.782) 4.591 2.204 ( 0.451 3.298 3.563) 4.875 2.278 ( 4.329 6.760 3.494) 8.755 2.340 ( 5.787 2.112 -0.815) 6.214 2.410 ( -1.710 2.250 0.262) 2.838 2.612 ( -1.912 2.436 1.812) 3.587 2.724 ( 0.357 0.001 -0.704) 0.789 2.775 ( 8.724 -7.020 0.481) 11.208 2.896 ( -7.143 1.443 3.184) 7.953 2.975 ( -5.047 1.816 -6.585) 8.493 3.083 ( 6.621 0.000 -0.818) 6.672 3.126 ( 0.809 1.156 -5.991) 6.155 3.301 ( 3.555 -3.558 2.021) 5.420 3.452 ( -1.037 0.773 -1.228) 1.783 3.618 ( 0.395 2.050 -2.606) 3.339 3.655 ( -1.180 4.569 5.230) 7.044 3.729 ( 2.869 0.699 -1.274) 3.216 3.784 ( 0.121 1.717 -3.664) 4.048 3.878 ( 3.716 -3.661 0.678) 5.261 3.884 ( -3.453 5.045 7.869) 9.965 3.994 ( -1.632 4.553 0.480) 4.861 4.056 ( 3.180 3.090 -1.878) 4.815 4.120 ( -0.401 5.354 -1.362) 5.539 4.131 ( 2.382 -0.551 -3.644) 4.388 4.261 ( 0.129 0.816 -0.709) 1.089 4.355 ( 0.100 0.653 1.814) 1.931 4.402 ( 1.328 1.627 -1.462) 2.559 4.466 ( -0.584 0.399 -0.600) 0.928 4.566 ( 5.164 -4.849 -3.240) 7.790 4.648 ( 5.210 -8.193 2.854) 10.120 4.747 ( 1.602 -1.783 -0.628) 2.478 4.899 ( 1.657 -0.375 3.320) 3.729 4.920 ( -1.388 3.424 1.436) 3.964 4.993 ( 1.391 -2.287 0.523) 2.727 5.054 ( 0.221 -1.056 0.440) 1.165 5.170 ( -1.142 0.393 -1.654) 2.048 5.208 ( 0.611 -3.024 -2.295) 3.845 5.337 ( -0.069 2.063 3.755) 4.285 5.407 ( -0.627 -1.358 -0.662) 1.635 5.486 ( 2.138 -4.318 1.506) 5.048 5.584 ( 1.002 -6.798 3.498) 7.711 5.862 ( -7.360 1.670 7.203) 10.433 6.007 ( -0.367 -0.868 -1.130) 1.472 6.016 ( 1.423 -0.100 -0.765) 1.619 6.191 ( 0.450 2.191 2.135) 3.092 6.293 ( 0.859 -2.201 0.049) 2.363 6.435 ( 1.354 0.460 -3.372) 3.663 6.828 ( -9.076 7.831 -9.082) 15.040 7.010 ( -6.069 -0.139 -9.439) 11.222 7.229 ( -0.478 1.061 4.499) 4.647 7.306 ( 1.113 -1.151 1.576) 2.247 ======================= Grid point 148 (72/88) ======================= q-point: (-0.14 -0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.591 ( -10.801 -0.000 16.076) 19.368 0.624 ( -15.720 -0.000 11.034) 19.206 1.246 ( -21.937 -0.000 24.619) 32.974 1.518 ( -12.324 -0.000 -7.197) 14.271 1.642 ( -4.186 -0.000 -3.165) 5.248 1.760 ( -2.169 -0.000 -4.087) 4.627 1.790 ( 12.652 0.000 -5.181) 13.671 1.863 ( 9.769 0.000 0.121) 9.770 2.047 ( 1.736 0.000 7.509) 7.707 2.104 ( -8.968 -0.000 1.809) 9.149 2.221 ( -1.074 -0.000 1.338) 1.715 2.327 ( 5.290 0.000 0.455) 5.309 2.452 ( -2.716 -0.000 2.810) 3.908 2.512 ( 8.623 0.000 3.697) 9.382 2.593 ( -3.964 -0.000 -4.427) 5.943 2.732 ( -1.499 -0.000 2.014) 2.510 2.772 ( 11.074 0.000 -0.799) 11.103 2.855 ( -7.840 -0.000 3.804) 8.714 2.909 ( -4.369 -0.000 -8.058) 9.166 3.090 ( 6.009 0.000 -7.137) 9.330 3.183 ( 4.169 0.000 -9.507) 10.381 3.281 ( 3.051 0.000 4.146) 5.147 3.419 ( -3.398 -0.000 -2.305) 4.106 3.584 ( -6.702 -0.000 -6.858) 9.589 3.657 ( -0.673 -0.000 2.573) 2.659 3.738 ( 2.343 0.000 -4.404) 4.988 3.854 ( -3.839 -0.000 8.367) 9.205 3.865 ( 1.267 0.000 -0.085) 1.270 3.936 ( -0.534 -0.000 1.527) 1.618 4.081 ( 5.457 0.000 -0.352) 5.468 4.097 ( 0.648 0.000 -4.006) 4.058 4.175 ( 2.697 0.000 1.949) 3.328 4.231 ( -2.694 -0.000 -0.530) 2.746 4.258 ( 2.520 0.000 -1.723) 3.053 4.347 ( -1.800 -0.000 -0.327) 1.829 4.428 ( 5.067 0.000 -0.253) 5.073 4.448 ( 4.477 0.000 0.820) 4.551 4.504 ( 0.437 0.000 4.518) 4.539 4.657 ( 4.196 0.000 3.615) 5.538 4.708 ( 2.948 0.000 -1.272) 3.211 4.907 ( -0.815 -0.000 -3.063) 3.169 4.931 ( -1.800 -0.000 -9.630) 9.797 4.965 ( -0.857 -0.000 1.634) 1.845 5.073 ( 0.542 0.000 6.032) 6.057 5.175 ( 5.089 0.000 -1.164) 5.220 5.218 ( -2.445 -0.000 2.292) 3.351 5.326 ( -4.731 -0.000 0.679) 4.779 5.429 ( 2.401 0.000 -2.426) 3.413 5.474 ( 6.181 0.000 4.471) 7.629 5.598 ( 12.108 0.000 8.066) 14.549 5.843 ( -8.976 -0.000 7.057) 11.418 5.989 ( -0.010 -0.000 -0.784) 0.784 6.029 ( 1.655 0.000 1.453) 2.203 6.235 ( -2.844 -0.000 6.265) 6.880 6.269 ( 3.088 0.000 -3.700) 4.819 6.422 ( -1.106 -0.000 -4.463) 4.598 6.760 ( -19.312 -0.000 -14.075) 23.897 6.851 ( -2.713 -0.000 -6.581) 7.118 7.257 ( -0.917 -0.000 4.558) 4.650 7.317 ( 0.932 0.000 1.655) 1.899 ======================= Grid point 149 (73/88) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( -6.016 -0.000 -13.802) 15.056 0.950 ( 6.016 0.000 13.802) 15.056 1.158 ( -1.499 -0.000 -19.004) 19.063 1.158 ( 1.499 0.000 19.004) 19.063 1.648 ( 5.413 0.000 -7.631) 9.356 1.648 ( -5.413 -0.000 7.631) 9.356 1.928 ( -13.860 -0.000 2.643) 14.110 1.928 ( 13.860 0.000 -2.643) 14.110 2.173 ( -3.981 -0.000 -8.620) 9.495 2.173 ( 3.981 0.000 8.620) 9.495 2.365 ( 1.327 0.000 -2.043) 2.436 2.365 ( -1.327 -0.000 2.043) 2.436 2.469 ( -3.389 -0.000 0.651) 3.451 2.469 ( 3.389 0.000 -0.651) 3.451 2.646 ( 0.523 0.000 -7.138) 7.157 2.646 ( -0.523 -0.000 7.138) 7.157 2.786 ( -2.164 -0.000 -3.009) 3.706 2.786 ( 2.164 0.000 3.009) 3.706 2.834 ( 0.250 0.000 -5.251) 5.257 2.834 ( -0.250 -0.000 5.251) 5.257 3.186 ( -8.677 -0.000 -3.747) 9.451 3.186 ( 8.677 0.000 3.747) 9.451 3.393 ( -3.262 -0.000 0.884) 3.380 3.393 ( 3.262 0.000 -0.884) 3.380 3.683 ( 3.371 0.000 -2.023) 3.931 3.683 ( -3.371 -0.000 2.023) 3.931 3.917 ( -3.251 -0.000 0.662) 3.317 3.917 ( 3.251 0.000 -0.662) 3.317 4.086 ( 4.171 0.000 -6.393) 7.633 4.086 ( -4.171 -0.000 6.393) 7.633 4.126 ( -0.716 -0.000 -6.576) 6.615 4.126 ( 0.716 0.000 6.576) 6.615 4.241 ( 1.912 0.000 -0.808) 2.075 4.241 ( -1.912 -0.000 0.808) 2.075 4.334 ( -2.150 -0.000 -2.345) 3.181 4.334 ( 2.150 0.000 2.345) 3.181 4.518 ( -5.214 -0.000 -0.860) 5.285 4.518 ( 5.214 0.000 0.860) 5.285 4.791 ( 2.389 0.000 -1.357) 2.747 4.791 ( -2.389 -0.000 1.357) 2.747 4.935 ( 0.580 0.000 -9.235) 9.253 4.935 ( -0.580 -0.000 9.235) 9.253 4.967 ( 3.508 0.000 -1.843) 3.963 4.967 ( -3.508 -0.000 1.843) 3.963 5.148 ( -0.228 -0.000 -1.536) 1.553 5.148 ( 0.228 0.000 1.536) 1.553 5.370 ( 1.373 0.000 -3.693) 3.940 5.370 ( -1.373 -0.000 3.693) 3.940 5.710 ( -1.990 -0.000 -3.450) 3.983 5.710 ( 1.990 0.000 3.450) 3.983 5.923 ( -3.889 -0.000 -3.099) 4.973 5.923 ( 3.889 0.000 3.099) 4.973 6.162 ( -0.356 -0.000 -4.405) 4.419 6.162 ( 0.356 0.000 4.405) 4.419 6.329 ( 6.905 0.000 -3.032) 7.541 6.329 ( -6.905 -0.000 3.032) 7.541 6.599 ( -3.109 -0.000 -3.876) 4.969 6.599 ( 3.109 0.000 3.876) 4.969 7.337 ( 0.251 0.000 -1.006) 1.037 7.337 ( -0.251 -0.000 1.006) 1.037 ======================= Grid point 151 (74/88) ======================= q-point: ( 0.14 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.924 ( 3.873 -6.910 -12.000) 14.378 1.076 ( 1.365 -4.095 -17.235) 17.767 1.141 ( 10.050 -2.176 12.257) 15.999 1.309 ( 4.820 -2.617 15.437) 16.383 1.640 ( -4.330 1.436 4.054) 6.103 1.680 ( 7.165 -1.734 -7.069) 10.214 1.864 ( -12.378 -4.618 4.758) 14.042 1.991 ( 8.363 2.999 -7.674) 11.740 2.083 ( -7.026 -0.313 -5.905) 9.184 2.220 ( 4.603 1.562 0.366) 4.874 2.297 ( 2.789 4.745 -2.285) 5.959 2.303 ( -0.792 6.661 5.861) 8.908 2.385 ( -2.914 4.895 -1.582) 5.912 2.429 ( 0.976 4.083 -2.470) 4.871 2.637 ( -0.413 -1.188 -3.237) 3.473 2.692 ( -2.238 -1.194 6.109) 6.615 2.774 ( -3.460 -0.283 5.525) 6.525 2.826 ( -1.363 -1.978 -2.756) 3.656 2.857 ( 4.552 -2.526 -0.523) 5.233 2.913 ( -1.574 -4.978 3.648) 6.369 3.147 ( -6.071 -4.293 -0.296) 7.442 3.300 ( 7.742 -0.334 2.734) 8.217 3.387 ( 0.289 -1.791 0.607) 1.913 3.421 ( 1.642 -0.993 0.446) 1.970 3.644 ( -4.338 1.963 2.188) 5.240 3.691 ( 2.121 0.507 -0.459) 2.229 3.865 ( -2.227 3.900 -1.952) 4.897 3.919 ( 0.467 2.971 3.183) 4.379 3.988 ( 3.718 9.217 -6.209) 11.719 4.028 ( -1.256 5.365 6.459) 8.490 4.077 ( -2.463 -0.400 -4.423) 5.078 4.125 ( -2.143 5.367 -1.807) 6.055 4.159 ( 0.209 1.807 -0.294) 1.843 4.215 ( 1.621 2.636 2.401) 3.917 4.305 ( -3.060 -0.870 -1.768) 3.639 4.388 ( 1.961 -1.778 3.859) 4.679 4.501 ( -4.985 -1.524 -1.304) 5.373 4.634 ( 4.939 -4.467 3.574) 7.558 4.758 ( -1.244 2.129 -4.900) 5.485 4.811 ( -1.120 -3.376 0.733) 3.632 4.869 ( -1.908 0.498 -5.981) 6.298 4.919 ( -1.362 0.398 -2.025) 2.473 4.976 ( 0.311 -1.336 1.133) 1.779 5.067 ( -0.609 -2.348 6.823) 7.241 5.154 ( 0.435 -0.928 -1.862) 2.125 5.217 ( 6.314 -2.125 0.518) 6.682 5.335 ( -1.038 1.109 -1.960) 2.480 5.364 ( -1.172 -0.670 2.977) 3.269 5.663 ( -5.824 -2.052 -2.676) 6.730 5.703 ( -6.879 -0.160 3.751) 7.837 5.917 ( 4.486 0.106 -3.292) 5.565 6.006 ( 8.622 0.883 0.617) 8.689 6.140 ( -0.690 -1.095 -4.510) 4.692 6.183 ( -0.672 0.540 3.576) 3.679 6.271 ( -4.481 1.071 2.280) 5.141 6.346 ( 4.829 0.916 -2.848) 5.681 6.569 ( -1.774 -0.541 -3.100) 3.613 6.692 ( 4.976 -2.967 5.399) 7.920 7.334 ( 0.270 0.084 -1.724) 1.747 7.344 ( -0.113 -0.375 0.410) 0.567 ======================= Grid point 152 (75/88) ======================= q-point: ( 0.29 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( 7.630 -10.616 -6.786) 14.730 1.132 ( 4.077 -8.920 -11.658) 15.235 1.311 ( 4.375 -2.171 11.418) 12.419 1.515 ( 5.631 -5.283 9.204) 12.014 1.570 ( -2.448 4.073 5.313) 7.128 1.688 ( 5.473 6.360 -3.479) 9.083 1.864 ( -10.601 -2.284 2.658) 11.165 1.909 ( -1.519 2.300 -2.122) 3.479 2.038 ( 0.664 2.127 -6.293) 6.676 2.090 ( -2.403 8.874 0.448) 9.204 2.228 ( -0.388 7.383 -1.298) 7.507 2.275 ( -0.557 -1.569 -5.050) 5.317 2.317 ( 8.040 -2.182 -2.421) 8.675 2.404 ( 0.167 -3.442 -4.223) 5.450 2.634 ( 0.337 1.170 1.198) 1.708 2.730 ( 0.607 -1.196 1.816) 2.258 2.750 ( -4.790 2.105 3.381) 6.229 2.838 ( -4.186 -1.281 2.782) 5.187 2.939 ( 2.712 -2.079 1.381) 3.686 2.995 ( 1.887 -4.201 -0.791) 4.673 3.170 ( -5.398 -3.368 -0.239) 6.367 3.336 ( 4.767 1.603 -0.338) 5.041 3.430 ( -1.640 -0.884 1.286) 2.264 3.502 ( 3.223 -1.603 3.288) 4.876 3.579 ( -3.818 2.327 4.108) 6.072 3.689 ( 0.920 3.535 -0.825) 3.745 3.738 ( 0.510 2.600 -2.069) 3.362 3.813 ( 1.536 8.537 -0.411) 8.684 3.880 ( -1.696 3.337 5.752) 6.863 3.972 ( -2.444 3.539 -5.388) 6.895 3.997 ( 1.334 2.782 1.669) 3.508 4.058 ( -0.850 -1.527 -2.724) 3.236 4.155 ( 0.763 0.236 0.851) 1.167 4.212 ( -0.544 0.558 3.009) 3.108 4.313 ( -2.175 -3.025 1.108) 3.887 4.440 ( -1.650 2.975 -1.628) 3.772 4.464 ( 0.013 -1.769 3.488) 3.911 4.670 ( -3.140 1.955 -1.782) 4.106 4.675 ( -3.545 4.031 -8.554) 10.099 4.807 ( -3.042 -3.727 0.877) 4.890 4.856 ( 1.973 2.397 0.305) 3.119 4.949 ( 3.506 -4.053 0.000) 5.359 5.019 ( 3.457 -0.961 -0.909) 3.701 5.109 ( -1.503 -0.915 3.077) 3.545 5.148 ( -0.403 0.160 -0.742) 0.860 5.303 ( 4.825 -2.558 1.056) 5.562 5.324 ( -0.842 -1.576 -0.130) 1.791 5.418 ( 0.195 -1.629 -0.051) 1.641 5.650 ( -3.878 -2.337 -2.449) 5.147 5.685 ( -4.883 -2.277 3.888) 6.644 5.930 ( 5.337 1.672 -3.407) 6.548 6.008 ( 1.531 1.812 -3.055) 3.868 6.125 ( -3.446 -2.049 -2.773) 4.875 6.186 ( 0.170 0.343 0.918) 0.995 6.248 ( 0.503 3.111 5.211) 6.089 6.376 ( 4.812 -0.230 0.241) 4.824 6.542 ( -1.628 -0.337 -3.429) 3.811 6.834 ( 4.995 -3.849 6.020) 8.718 7.305 ( -0.771 1.637 -2.840) 3.367 7.352 ( -0.158 -0.409 0.196) 0.480 ======================= Grid point 153 (76/88) ======================= q-point: ( 0.43 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( 4.608 -6.992 -3.762) 9.180 1.299 ( 3.636 -8.264 -3.722) 9.766 1.450 ( -2.369 -2.886 2.679) 4.595 1.496 ( 1.071 -0.243 7.727) 7.804 1.549 ( 0.466 6.713 -1.391) 6.872 1.707 ( 2.710 5.308 -0.423) 5.975 1.778 ( 0.707 0.740 4.045) 4.172 1.822 ( -5.047 0.043 1.617) 5.300 1.899 ( -2.748 3.648 0.412) 4.586 2.046 ( -1.180 3.999 -3.758) 5.613 2.081 ( 0.080 2.658 -1.524) 3.065 2.307 ( -0.120 -4.174 -2.769) 5.011 2.459 ( 9.253 -5.622 -6.898) 12.838 2.485 ( 2.363 -6.343 -2.601) 7.251 2.591 ( -0.322 5.809 4.619) 7.429 2.654 ( -8.040 3.970 2.354) 9.270 2.764 ( 2.155 -0.348 0.278) 2.201 2.812 ( -3.743 -0.067 -0.315) 3.756 2.992 ( -0.860 -1.370 3.263) 3.642 3.096 ( 8.029 -1.501 -1.922) 8.391 3.184 ( -5.416 -3.219 0.363) 6.311 3.332 ( 2.464 1.463 -0.292) 2.880 3.426 ( -2.072 -0.322 0.340) 2.124 3.452 ( -3.274 3.941 1.213) 5.265 3.542 ( 0.417 2.339 -0.452) 2.419 3.637 ( 0.201 1.716 0.737) 1.879 3.727 ( 0.830 0.657 0.206) 1.079 3.794 ( 2.826 -1.396 1.025) 3.314 3.854 ( -0.471 1.750 6.688) 6.929 3.891 ( -1.388 0.448 -6.109) 6.281 3.992 ( 2.047 0.184 2.131) 2.960 4.075 ( -0.204 -1.389 -0.912) 1.674 4.174 ( 1.410 0.547 1.508) 2.135 4.189 ( -4.782 0.926 -0.753) 4.929 4.331 ( -1.589 2.891 -1.289) 3.542 4.372 ( -1.535 -3.432 2.829) 4.705 4.476 ( 1.993 3.776 -3.263) 5.374 4.570 ( -2.053 -1.773 -0.851) 2.843 4.612 ( -0.763 1.331 -1.342) 2.039 4.808 ( -1.122 1.047 -0.390) 1.583 4.860 ( 0.487 -0.870 0.041) 0.997 5.006 ( 1.675 0.874 1.317) 2.303 5.051 ( 1.705 -0.478 -0.896) 1.985 5.121 ( -0.328 -0.014 -0.033) 0.330 5.204 ( 0.799 -5.874 1.505) 6.116 5.326 ( -1.880 1.873 -0.841) 2.784 5.381 ( 3.205 0.185 2.699) 4.194 5.417 ( -0.676 -1.672 -2.392) 2.995 5.647 ( -1.934 -1.401 -1.166) 2.657 5.713 ( -0.363 -0.381 1.558) 1.644 5.913 ( 2.099 1.141 -2.073) 3.163 5.978 ( -0.055 0.671 -0.733) 0.995 6.141 ( -2.450 -3.749 -1.794) 4.825 6.183 ( -0.446 -0.141 -0.247) 0.529 6.210 ( 1.249 4.306 3.383) 5.616 6.421 ( 2.745 0.006 1.433) 3.096 6.515 ( -1.255 -0.190 -2.309) 2.635 6.965 ( 2.844 -2.576 3.756) 5.370 7.239 ( -1.294 1.901 -2.502) 3.398 7.357 ( -0.071 -0.153 0.065) 0.181 ======================= Grid point 158 (77/88) ======================= q-point: ( 0.14 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( 11.572 0.000 -11.801) 16.528 0.961 ( 6.204 0.000 -19.486) 20.449 1.320 ( 14.984 0.000 11.817) 19.083 1.430 ( 6.408 0.000 14.187) 15.567 1.649 ( -3.592 -0.000 4.641) 5.869 1.668 ( 11.277 0.000 -12.662) 16.955 1.716 ( -11.559 -0.000 3.560) 12.095 1.955 ( -8.922 -0.000 -8.285) 12.175 2.117 ( 9.293 0.000 -2.330) 9.580 2.254 ( -1.229 -0.000 -0.962) 1.561 2.262 ( 0.202 0.000 -10.254) 10.256 2.335 ( -3.915 -0.000 3.773) 5.438 2.504 ( 0.739 0.000 2.726) 2.824 2.537 ( 5.511 0.000 -1.634) 5.749 2.538 ( -5.917 -0.000 -2.653) 6.485 2.687 ( -8.085 -0.000 8.797) 11.948 2.761 ( 3.109 0.000 -2.380) 3.915 2.801 ( 0.295 0.000 1.209) 1.244 2.867 ( -6.601 -0.000 12.883) 14.476 2.899 ( 8.077 0.000 -0.220) 8.080 3.045 ( -6.403 -0.000 2.023) 6.715 3.376 ( 0.781 0.000 1.597) 1.778 3.377 ( 3.406 0.000 -4.657) 5.770 3.436 ( 4.889 0.000 7.098) 8.619 3.646 ( -4.081 -0.000 4.041) 5.744 3.687 ( -1.413 -0.000 -0.823) 1.635 3.878 ( -2.105 -0.000 0.320) 2.130 3.977 ( 2.404 0.000 2.010) 3.133 4.004 ( -2.943 -0.000 -7.225) 7.801 4.069 ( -4.778 -0.000 2.393) 5.344 4.084 ( 3.813 0.000 -5.946) 7.064 4.165 ( -2.134 -0.000 3.399) 4.014 4.218 ( -0.067 -0.000 -0.866) 0.869 4.258 ( 3.240 0.000 -3.248) 4.588 4.298 ( -1.438 -0.000 3.597) 3.874 4.372 ( -2.209 -0.000 3.608) 4.231 4.454 ( -2.474 -0.000 0.068) 2.475 4.622 ( 2.098 0.000 2.489) 3.255 4.731 ( -3.818 -0.000 -2.543) 4.587 4.734 ( -0.307 -0.000 -12.087) 12.091 4.834 ( -3.083 -0.000 0.597) 3.140 4.862 ( -3.057 -0.000 0.893) 3.185 4.998 ( 2.356 0.000 -1.501) 2.794 5.081 ( -0.271 -0.000 8.124) 8.129 5.153 ( 1.739 0.000 -2.128) 2.749 5.249 ( 6.220 0.000 -0.387) 6.232 5.335 ( 0.923 0.000 -0.749) 1.189 5.368 ( -3.088 -0.000 3.695) 4.815 5.564 ( -4.961 -0.000 -3.937) 6.333 5.638 ( -10.730 -0.000 2.828) 11.097 5.953 ( 6.540 0.000 -3.004) 7.197 6.048 ( 0.142 0.000 -5.623) 5.625 6.092 ( -0.924 -0.000 -4.936) 5.021 6.203 ( -0.969 -0.000 3.098) 3.246 6.302 ( 3.477 0.000 6.827) 7.662 6.359 ( 3.496 0.000 -5.933) 6.887 6.598 ( 5.826 0.000 3.599) 6.849 6.726 ( 3.825 0.000 5.147) 6.413 7.330 ( 1.298 0.000 -2.500) 2.816 7.338 ( -0.435 -0.000 -0.287) 0.521 ======================= Grid point 159 (78/88) ======================= q-point: ( 0.29 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( 11.598 -6.324 -11.108) 17.259 0.981 ( 9.813 -6.105 -12.707) 17.176 1.464 ( 6.858 4.947 9.871) 12.998 1.536 ( 0.345 -2.402 8.434) 8.777 1.620 ( -5.394 0.194 7.205) 9.002 1.724 ( 9.315 -3.293 -3.936) 10.635 1.766 ( -4.156 -2.105 -0.288) 4.668 1.905 ( 0.935 -6.443 -4.392) 7.853 2.009 ( 4.596 9.253 -5.643) 11.772 2.195 ( -1.653 0.915 -7.929) 8.151 2.301 ( -4.290 3.207 -0.587) 5.389 2.323 ( -0.468 9.216 -1.873) 9.416 2.327 ( -2.690 -0.667 -0.935) 2.925 2.413 ( 2.320 4.814 -0.721) 5.393 2.621 ( 2.429 -2.144 -0.002) 3.240 2.709 ( -3.966 -4.072 3.099) 6.475 2.767 ( 0.277 2.973 0.001) 2.986 2.864 ( 1.709 -5.117 2.778) 6.067 2.874 ( -3.998 2.301 9.256) 10.341 2.996 ( 9.111 -2.234 0.929) 9.426 3.059 ( -6.234 -3.794 2.334) 7.662 3.356 ( -2.229 -1.805 -4.167) 5.059 3.410 ( 0.886 -0.518 2.601) 2.796 3.530 ( 2.473 0.191 5.665) 6.185 3.616 ( -3.005 1.359 6.402) 7.201 3.695 ( -1.862 -2.357 1.221) 3.242 3.800 ( -1.693 6.317 -3.592) 7.462 3.942 ( -3.476 -0.195 -4.943) 6.046 3.959 ( -2.157 4.509 5.303) 7.287 4.023 ( 3.677 7.470 -1.861) 8.532 4.040 ( 0.519 6.442 -5.746) 8.648 4.058 ( -2.999 0.145 1.680) 3.440 4.181 ( 2.353 4.084 -1.026) 4.824 4.226 ( -0.221 -0.262 0.014) 0.343 4.286 ( -0.937 1.043 3.626) 3.888 4.422 ( -1.764 -1.454 1.919) 2.985 4.476 ( -1.199 -2.838 3.689) 4.806 4.622 ( -1.885 0.842 -12.780) 12.945 4.686 ( -1.324 -3.014 -1.158) 3.490 4.724 ( -4.444 2.686 1.199) 5.329 4.837 ( -2.377 -9.283 2.549) 9.916 4.890 ( -0.750 -0.803 1.616) 1.954 5.031 ( 4.833 -0.175 -1.982) 5.226 5.112 ( -0.430 0.115 3.216) 3.246 5.149 ( 0.866 -0.432 -1.551) 1.828 5.229 ( -2.436 1.069 -3.772) 4.616 5.360 ( -0.614 -0.234 3.406) 3.468 5.400 ( 4.998 -1.163 -1.443) 5.330 5.549 ( -2.931 -3.718 -3.648) 5.978 5.603 ( -4.660 -4.345 2.649) 6.900 5.989 ( 5.786 0.411 -2.575) 6.347 6.003 ( -1.048 0.355 -4.338) 4.477 6.052 ( -1.794 0.442 -4.687) 5.038 6.192 ( -1.960 0.944 1.026) 2.406 6.325 ( 0.621 1.818 2.037) 2.800 6.387 ( 2.476 -1.649 -1.991) 3.579 6.642 ( 8.236 5.640 7.586) 12.537 6.845 ( 4.625 -3.896 6.787) 9.090 7.313 ( 0.483 1.331 -3.342) 3.630 7.336 ( -0.397 -0.638 -0.958) 1.217 ======================= Grid point 160 (79/88) ======================= q-point: ( 0.43 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( 9.880 -10.110 -7.854) 16.171 1.165 ( 8.461 -8.973 -6.539) 13.960 1.439 ( -4.646 1.623 6.489) 8.144 1.567 ( -2.394 1.715 3.382) 4.484 1.683 ( -2.051 -4.100 6.490) 7.946 1.717 ( 0.760 8.803 2.579) 9.205 1.752 ( -5.368 -1.916 1.229) 5.831 1.875 ( 0.918 6.554 0.933) 6.683 2.009 ( -2.471 9.429 -2.516) 10.067 2.076 ( 5.103 0.446 -4.228) 6.642 2.128 ( -3.494 3.313 -0.766) 4.876 2.231 ( 3.287 -1.853 -3.281) 5.001 2.342 ( 0.829 -5.083 -6.229) 8.083 2.480 ( 9.707 -2.660 -1.758) 10.217 2.653 ( 0.600 0.888 1.346) 1.720 2.698 ( -0.660 3.181 -1.982) 3.805 2.763 ( -4.923 -1.856 1.889) 5.590 2.839 ( 3.881 3.125 3.921) 6.340 2.975 ( 1.867 -2.507 3.252) 4.511 3.063 ( -5.879 -2.252 0.316) 6.303 3.143 ( 10.190 -3.649 0.326) 10.828 3.345 ( -4.716 -1.737 -2.003) 5.410 3.407 ( -0.661 2.071 1.535) 2.661 3.497 ( -4.044 3.119 2.116) 5.528 3.607 ( -0.191 4.983 -1.101) 5.106 3.667 ( -2.669 1.208 1.248) 3.184 3.738 ( -2.571 -1.085 2.848) 3.988 3.839 ( -0.858 5.390 1.682) 5.711 3.879 ( 0.007 3.000 -2.115) 3.671 3.942 ( 1.137 1.872 1.516) 2.663 3.971 ( -0.927 0.408 1.049) 1.458 4.069 ( 1.239 0.721 -2.211) 2.635 4.146 ( 0.008 -0.916 -1.971) 2.174 4.220 ( -0.407 1.612 1.386) 2.165 4.314 ( -2.287 -2.346 5.409) 6.323 4.367 ( -3.280 4.122 -2.695) 5.917 4.510 ( 0.409 0.828 -5.667) 5.742 4.543 ( 0.457 -1.761 3.070) 3.569 4.652 ( 0.410 2.850 1.693) 3.341 4.747 ( -4.048 -4.085 -0.028) 5.751 4.885 ( 1.297 1.137 0.238) 1.741 5.005 ( -0.561 -7.113 -0.871) 7.188 5.048 ( 1.104 1.530 -1.781) 2.595 5.094 ( -0.697 -2.030 -0.541) 2.213 5.125 ( -2.870 0.951 0.848) 3.141 5.265 ( 0.284 -5.221 0.062) 5.229 5.346 ( -2.847 0.978 -3.508) 4.622 5.450 ( 3.595 -1.323 0.820) 3.918 5.585 ( 0.300 -3.867 -1.821) 4.285 5.715 ( 4.326 -3.710 1.462) 5.883 5.941 ( 0.223 3.025 -4.720) 5.610 5.987 ( -1.788 1.071 -2.090) 2.951 6.033 ( -1.070 -2.607 0.089) 2.820 6.167 ( -0.694 -0.037 -2.200) 2.308 6.299 ( -0.591 2.678 3.344) 4.325 6.408 ( 0.445 -0.837 -2.787) 2.944 6.648 ( 7.491 6.353 8.137) 12.755 6.973 ( 2.528 -1.941 5.088) 6.004 7.255 ( -0.231 2.351 -3.353) 4.101 7.340 ( -0.606 -0.902 -1.113) 1.556 ======================= Grid point 161 (80/88) ======================= q-point: ( 0.57 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( 5.533 -5.469 -6.569) 10.182 1.349 ( 0.575 -2.143 4.141) 4.698 1.431 ( 0.930 -2.771 -0.551) 2.975 1.533 ( 0.947 5.509 -0.043) 5.590 1.577 ( -3.204 0.867 3.634) 4.922 1.641 ( -2.820 7.521 -1.194) 8.120 1.730 ( -5.209 -0.388 1.460) 5.424 1.783 ( -4.544 3.042 -3.327) 6.401 1.905 ( 0.929 -1.620 2.357) 3.007 1.986 ( -1.336 0.239 -1.813) 2.265 2.120 ( 1.031 1.040 6.426) 6.590 2.345 ( 3.637 -2.727 -3.494) 5.733 2.445 ( 3.126 -6.860 -3.582) 8.346 2.569 ( -4.249 7.382 6.080) 10.465 2.582 ( 6.747 2.025 -4.507) 8.363 2.641 ( 0.731 -0.201 0.018) 0.758 2.769 ( 1.179 -1.374 -0.237) 1.826 2.882 ( 6.856 0.898 2.397) 7.319 2.989 ( -3.059 1.243 -1.291) 3.545 3.062 ( -0.961 -0.508 2.051) 2.321 3.264 ( 5.649 -0.372 -1.180) 5.782 3.291 ( -3.655 0.695 -4.309) 5.693 3.402 ( -1.666 -2.088 2.514) 3.668 3.439 ( 1.124 0.495 1.152) 1.684 3.541 ( 1.174 1.057 -2.144) 2.663 3.626 ( -3.203 1.453 1.937) 4.015 3.698 ( -5.165 0.513 1.824) 5.501 3.783 ( -2.595 1.321 -4.073) 5.007 3.831 ( 0.717 1.686 -0.858) 2.023 3.936 ( -2.626 1.784 2.680) 4.155 3.970 ( 0.013 0.865 0.524) 1.012 4.043 ( 0.171 -1.740 -3.274) 3.711 4.179 ( 2.434 -0.950 0.491) 2.659 4.220 ( 2.769 -0.149 -0.335) 2.793 4.306 ( -1.166 -0.910 2.433) 2.847 4.369 ( -2.811 -2.063 3.034) 4.622 4.475 ( 2.610 1.319 -0.828) 3.039 4.608 ( 0.416 -0.806 5.471) 5.546 4.633 ( 3.025 0.523 -1.185) 3.290 4.767 ( -3.039 -2.100 1.136) 3.865 4.885 ( 2.247 0.753 -0.928) 2.545 4.987 ( -0.241 1.182 -3.679) 3.872 5.042 ( -1.961 0.219 -0.763) 2.116 5.099 ( -2.957 -1.379 0.830) 3.367 5.199 ( -4.308 -6.716 1.057) 8.049 5.259 ( -2.568 2.071 -5.615) 6.513 5.353 ( 2.518 -1.472 2.551) 3.875 5.473 ( 0.517 0.770 -0.703) 1.164 5.670 ( 5.718 -2.426 -0.536) 6.234 5.755 ( 3.316 2.825 -0.449) 4.380 5.890 ( -3.374 0.110 1.619) 3.744 5.955 ( -1.917 -1.774 -3.350) 4.247 6.084 ( -1.341 -3.810 0.413) 4.061 6.149 ( 0.199 -0.448 -5.003) 5.027 6.268 ( 0.773 3.301 4.749) 5.835 6.393 ( -0.937 0.498 -2.338) 2.568 6.649 ( 6.242 5.399 7.640) 11.246 6.970 ( -2.916 3.127 -2.834) 5.130 7.240 ( 1.895 -1.040 1.657) 2.723 7.343 ( -0.729 -0.888 -1.219) 1.675 ======================= Grid point 162 (81/88) ======================= q-point: (-0.29 0.14 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.255 ( -5.103 8.814 6.724) 12.204 1.289 ( 1.180 7.144 -5.815) 9.287 1.392 ( 0.301 10.030 2.411) 10.320 1.504 ( 2.489 -1.503 -2.064) 3.566 1.533 ( -3.582 4.691 -5.164) 7.842 1.570 ( -2.843 -1.245 2.124) 3.761 1.775 ( 1.961 -12.104 -2.513) 12.517 1.815 ( -2.924 -9.591 -0.475) 10.038 1.972 ( 5.209 -3.008 1.019) 6.101 2.065 ( -3.227 -7.192 -0.437) 7.894 2.162 ( 5.404 2.259 4.247) 7.235 2.309 ( -7.187 3.563 -0.321) 8.028 2.431 ( 2.031 6.610 7.214) 9.993 2.506 ( -0.297 5.603 0.101) 5.612 2.578 ( 1.446 -3.661 0.321) 3.949 2.651 ( -1.063 -1.895 -6.289) 6.653 2.813 ( 4.657 0.161 -0.198) 4.664 2.908 ( -5.025 2.315 0.048) 5.532 2.936 ( 6.152 1.553 2.873) 6.965 3.050 ( 0.798 2.760 -2.003) 3.503 3.248 ( -0.312 0.283 0.615) 0.746 3.274 ( -0.958 -1.278 -1.557) 2.230 3.444 ( 0.298 -0.529 0.611) 0.862 3.469 ( -0.573 -0.284 -1.150) 1.316 3.569 ( 5.127 -1.534 -1.240) 5.493 3.619 ( -1.760 -2.793 1.400) 3.586 3.682 ( -3.896 -2.605 0.893) 4.771 3.696 ( -4.085 -0.303 -2.846) 4.988 3.841 ( 4.050 -1.502 -1.891) 4.715 3.914 ( -3.916 -2.016 -0.828) 4.481 3.989 ( 1.144 -0.460 5.087) 5.235 4.055 ( -0.743 -2.122 -3.715) 4.342 4.164 ( 2.437 2.397 0.393) 3.441 4.218 ( -1.014 1.632 -1.657) 2.537 4.354 ( 1.104 0.541 -1.155) 1.686 4.382 ( -2.623 -1.976 1.191) 3.493 4.525 ( 7.103 -0.833 3.390) 7.914 4.655 ( -2.014 -2.789 2.036) 3.997 4.682 ( 4.148 -1.417 2.037) 4.834 4.781 ( -3.453 -2.010 -1.394) 4.232 4.885 ( 3.815 1.027 2.261) 4.552 4.980 ( 1.200 0.771 1.580) 2.129 4.998 ( -3.754 0.107 -0.843) 3.849 5.087 ( -3.702 -0.682 -3.882) 5.408 5.179 ( 0.324 2.354 -1.383) 2.749 5.217 ( -5.074 -0.786 -1.602) 5.379 5.399 ( 1.823 0.622 2.725) 3.337 5.444 ( -0.043 1.591 -1.536) 2.212 5.727 ( 4.086 1.162 0.078) 4.249 5.734 ( 2.855 1.546 -1.346) 3.514 5.890 ( -2.823 -1.401 4.651) 5.618 5.958 ( -2.778 -1.853 -2.534) 4.192 6.125 ( 0.410 -2.109 -3.027) 3.712 6.143 ( -2.061 -2.009 -1.029) 3.056 6.262 ( 3.942 2.132 3.352) 5.596 6.350 ( -2.629 1.170 -1.568) 3.277 6.657 ( 5.247 4.216 6.893) 9.635 6.828 ( -5.186 4.561 -6.085) 9.205 7.301 ( 1.578 -1.682 2.532) 3.425 7.344 ( -0.664 -0.690 -1.312) 1.624 ======================= Grid point 163 (82/88) ======================= q-point: (-0.14 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 77 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( 0.023 7.554 -10.199) 12.692 1.116 ( -0.023 7.554 10.199) 12.692 1.281 ( -3.646 7.900 -11.892) 14.735 1.281 ( 3.646 7.900 11.892) 14.735 1.617 ( 6.549 -4.258 -3.845) 8.706 1.617 ( -6.549 -4.258 3.845) 8.706 1.962 ( 2.501 -4.313 -5.938) 7.753 1.962 ( -2.501 -4.313 5.938) 7.753 2.099 ( -5.166 -3.627 -2.761) 6.890 2.099 ( 5.166 -3.627 2.761) 6.890 2.194 ( -3.526 -1.454 -1.765) 4.203 2.194 ( 3.526 -1.454 1.765) 4.203 2.408 ( -1.154 2.402 -4.086) 4.878 2.408 ( 1.154 2.402 4.086) 4.878 2.647 ( 0.106 -2.113 -6.037) 6.397 2.647 ( -0.106 -2.113 6.037) 6.397 2.831 ( -3.118 1.980 -0.072) 3.694 2.831 ( 3.118 1.980 0.072) 3.694 2.958 ( -3.606 3.426 -3.554) 6.113 2.958 ( 3.606 3.426 3.554) 6.113 3.260 ( -3.300 1.388 -1.567) 3.908 3.260 ( 3.300 1.388 1.567) 3.908 3.423 ( 1.313 2.122 -1.577) 2.952 3.423 ( -1.313 2.122 1.577) 2.952 3.636 ( -3.975 -2.088 -0.117) 4.492 3.636 ( 3.975 -2.088 0.117) 4.492 3.774 ( -1.964 -8.485 -0.627) 8.732 3.774 ( 1.964 -8.485 0.627) 8.732 3.912 ( -1.867 -2.452 -1.622) 3.483 3.912 ( 1.867 -2.452 1.622) 3.483 4.075 ( -1.205 -3.890 -3.848) 5.603 4.075 ( 1.205 -3.890 3.848) 5.603 4.158 ( -1.013 1.338 -3.561) 3.937 4.158 ( 1.013 1.338 3.561) 3.937 4.362 ( -1.620 0.478 -2.612) 3.110 4.362 ( 1.620 0.478 2.612) 3.110 4.612 ( -7.049 1.623 -4.342) 8.437 4.612 ( 7.049 1.623 4.342) 8.437 4.771 ( -3.570 -2.259 -3.287) 5.353 4.771 ( 3.570 -2.259 3.287) 5.353 4.933 ( -0.338 1.754 -2.794) 3.317 4.933 ( 0.338 1.754 2.794) 3.317 5.028 ( -2.403 -0.271 -7.272) 7.663 5.028 ( 2.403 -0.271 7.272) 7.663 5.178 ( -2.098 -0.466 -2.085) 2.994 5.178 ( 2.098 -0.466 2.085) 2.994 5.387 ( -0.613 3.174 -3.479) 4.749 5.387 ( 0.613 3.174 3.479) 4.749 5.725 ( 1.173 0.802 -2.415) 2.802 5.725 ( -1.173 0.802 2.415) 2.802 5.930 ( -2.917 -0.324 -3.436) 4.519 5.930 ( 2.917 -0.324 3.436) 4.519 6.158 ( 2.542 -1.335 -3.433) 4.475 6.158 ( -2.542 -1.335 3.433) 4.475 6.295 ( -1.580 0.033 -2.920) 3.320 6.295 ( 1.580 0.033 2.920) 3.320 6.671 ( -4.915 3.488 -6.165) 8.621 6.671 ( 4.915 3.488 6.165) 8.621 7.340 ( -0.248 -0.351 -1.541) 1.600 7.340 ( 0.248 -0.351 1.541) 1.600 ======================= Grid point 167 (83/88) ======================= q-point: ( 0.29 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.940 ( 13.456 0.000 -13.781) 19.261 0.964 ( 12.464 0.000 -9.764) 15.833 1.465 ( -15.419 -0.000 5.231) 16.282 1.622 ( 3.798 0.000 8.171) 9.010 1.652 ( -12.838 -0.000 -3.662) 13.350 1.693 ( 9.239 0.000 6.189) 11.120 1.821 ( 16.501 0.000 -9.284) 18.933 1.864 ( 12.915 0.000 8.502) 15.463 2.123 ( 4.325 0.000 -10.110) 10.996 2.165 ( -8.761 -0.000 2.218) 9.038 2.256 ( 0.699 0.000 -1.648) 1.791 2.286 ( -0.194 -0.000 -4.330) 4.334 2.383 ( -2.895 -0.000 -4.511) 5.360 2.519 ( 1.222 0.000 -3.716) 3.912 2.533 ( -10.273 -0.000 0.457) 10.283 2.650 ( 1.497 0.000 4.281) 4.535 2.809 ( 5.296 0.000 -2.137) 5.711 2.887 ( -5.523 -0.000 4.401) 7.062 2.915 ( 4.907 0.000 7.951) 9.343 2.996 ( -4.271 -0.000 7.676) 8.784 3.069 ( 8.237 0.000 3.536) 8.964 3.257 ( -5.741 -0.000 -6.596) 8.744 3.422 ( -1.254 -0.000 3.556) 3.770 3.602 ( 1.292 0.000 5.043) 5.206 3.633 ( -4.175 -0.000 2.115) 4.680 3.638 ( -4.054 -0.000 6.423) 7.595 3.834 ( -2.128 -0.000 -1.761) 2.762 3.872 ( -2.770 -0.000 -6.320) 6.900 4.007 ( -2.009 -0.000 0.662) 2.116 4.025 ( -2.118 -0.000 4.761) 5.210 4.098 ( 6.589 0.000 -5.995) 8.908 4.148 ( -0.665 -0.000 -1.506) 1.647 4.239 ( 0.691 0.000 1.479) 1.633 4.275 ( -1.949 -0.000 -2.454) 3.134 4.336 ( -1.300 -0.000 6.171) 6.307 4.349 ( -0.235 -0.000 -0.791) 0.826 4.412 ( 0.411 0.000 0.173) 0.446 4.537 ( -2.017 -0.000 -11.971) 12.139 4.623 ( -2.778 -0.000 -3.631) 4.572 4.674 ( -0.531 -0.000 0.198) 0.567 4.774 ( -7.724 -0.000 7.617) 10.848 4.877 ( -0.882 -0.000 3.644) 3.749 5.084 ( 7.717 0.000 -2.782) 8.203 5.102 ( -1.790 -0.000 -0.128) 1.794 5.131 ( 0.585 0.000 -3.866) 3.910 5.225 ( -2.006 -0.000 -0.663) 2.112 5.370 ( -1.111 -0.000 3.693) 3.857 5.445 ( -1.438 -0.000 -5.501) 5.686 5.466 ( 7.300 0.000 -1.671) 7.489 5.500 ( -4.452 -0.000 -0.138) 4.455 5.984 ( -0.402 -0.000 -0.235) 0.466 5.993 ( -1.366 -0.000 0.421) 1.430 6.064 ( 6.970 0.000 -7.107) 9.954 6.191 ( -3.128 -0.000 1.485) 3.463 6.343 ( 3.309 0.000 -6.434) 7.236 6.372 ( -2.483 -0.000 3.552) 4.333 6.849 ( 3.103 0.000 6.183) 6.918 6.882 ( 8.813 0.000 13.408) 16.045 7.306 ( -1.814 -0.000 -1.858) 2.596 7.322 ( 2.171 0.000 -4.331) 4.845 ======================= Grid point 168 (84/88) ======================= q-point: ( 0.43 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( 13.822 -5.831 -8.671) 17.327 1.070 ( 11.188 -5.915 -8.098) 15.024 1.379 ( -14.254 -1.925 5.114) 15.265 1.518 ( -12.536 -0.848 -1.092) 12.612 1.701 ( 1.697 -0.278 6.807) 7.021 1.760 ( 6.736 3.509 4.471) 8.814 1.893 ( 6.525 4.284 2.012) 8.061 2.016 ( -2.358 7.067 1.244) 7.553 2.058 ( 8.018 -2.351 -2.769) 8.802 2.122 ( 3.768 2.831 -7.215) 8.618 2.155 ( -5.057 3.124 3.014) 6.664 2.239 ( -1.241 2.682 -6.511) 7.151 2.305 ( 1.699 2.962 -0.749) 3.495 2.466 ( 3.874 -4.140 -2.304) 6.120 2.612 ( -3.435 -6.680 -3.088) 8.121 2.678 ( -1.951 -0.111 4.289) 4.713 2.777 ( 3.769 3.433 -2.347) 5.612 2.946 ( 2.007 1.484 2.876) 3.808 2.960 ( -4.063 -2.448 1.491) 4.973 3.015 ( 5.371 -0.641 5.271) 7.553 3.174 ( 4.688 -2.166 0.912) 5.244 3.223 ( -4.952 -4.000 0.067) 6.366 3.424 ( -2.613 -0.442 0.899) 2.799 3.546 ( -3.057 4.409 4.588) 7.060 3.628 ( -6.083 -0.533 3.587) 7.081 3.677 ( -2.218 0.667 -1.852) 2.965 3.732 ( -1.816 3.882 1.255) 4.465 3.840 ( -1.135 -1.242 -4.168) 4.495 3.962 ( -0.129 5.854 1.097) 5.957 4.020 ( 0.377 4.109 0.098) 4.128 4.053 ( -1.167 -1.842 3.408) 4.046 4.087 ( 5.269 6.941 -0.763) 8.748 4.157 ( 0.784 3.937 -5.660) 6.939 4.257 ( 0.680 1.508 0.803) 1.839 4.310 ( -3.053 -0.201 5.490) 6.285 4.380 ( -3.997 3.179 -4.926) 7.095 4.476 ( -0.666 -6.023 -2.410) 6.521 4.496 ( 2.527 -1.868 -0.335) 3.160 4.607 ( -2.089 -2.798 -2.940) 4.565 4.712 ( -1.565 -0.880 1.131) 2.122 4.810 ( -5.006 -7.224 7.042) 11.262 4.905 ( -1.391 -2.770 0.625) 3.162 5.054 ( 2.379 1.434 -4.036) 4.900 5.091 ( 0.188 2.120 -4.541) 5.015 5.154 ( -2.546 1.927 1.214) 3.416 5.206 ( 4.295 -2.211 1.315) 5.007 5.343 ( -0.755 2.593 -2.308) 3.552 5.436 ( -0.438 -1.468 -2.514) 2.944 5.491 ( 1.701 -6.041 1.239) 6.397 5.634 ( 2.990 -8.531 -2.050) 9.269 5.966 ( -2.355 2.365 0.176) 3.342 5.977 ( 0.263 1.776 0.116) 1.799 6.063 ( 4.277 1.852 -2.353) 5.221 6.154 ( -1.835 0.857 -1.338) 2.427 6.336 ( 0.654 0.437 -0.384) 0.875 6.377 ( -0.811 -1.243 -0.875) 1.723 6.871 ( 5.140 4.868 8.197) 10.831 7.012 ( 2.482 0.045 7.856) 8.239 7.268 ( -0.765 1.201 -2.845) 3.181 7.312 ( 0.552 -0.236 -3.477) 3.528 ======================= Grid point 169 (85/88) ======================= q-point: ( 0.57 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( 9.805 -6.875 -7.492) 14.126 1.286 ( 11.484 -9.289 -2.763) 15.026 1.341 ( -11.492 -3.002 5.857) 13.243 1.466 ( -9.652 -5.024 0.055) 10.881 1.701 ( -2.164 6.217 5.817) 8.785 1.723 ( 2.519 6.251 -4.005) 7.840 1.817 ( 0.519 7.557 7.138) 10.408 1.879 ( -1.898 9.312 -0.176) 9.506 1.920 ( -0.153 3.357 -0.696) 3.432 2.013 ( -3.799 6.172 -4.167) 8.360 2.166 ( 0.582 -0.330 4.891) 4.936 2.237 ( 1.028 -4.113 -7.499) 8.615 2.416 ( 9.973 -4.855 2.182) 11.304 2.560 ( -0.993 -4.154 -1.718) 4.603 2.663 ( -1.487 1.033 1.437) 2.312 2.670 ( 1.090 0.249 -2.520) 2.756 2.764 ( 5.379 0.348 -0.247) 5.396 2.875 ( -5.011 0.266 -0.637) 5.059 3.042 ( 5.755 -1.221 0.271) 5.890 3.106 ( 7.520 0.730 4.383) 8.735 3.189 ( -9.569 -3.165 0.666) 10.101 3.264 ( -1.629 0.111 -3.361) 3.737 3.425 ( 5.173 0.392 1.782) 5.486 3.484 ( -0.068 2.439 3.347) 4.142 3.553 ( -1.865 3.053 -5.000) 6.149 3.592 ( -7.591 -0.680 0.920) 7.677 3.711 ( -3.077 2.188 5.805) 6.925 3.773 ( -0.736 3.101 -6.212) 6.981 3.920 ( 0.768 6.943 1.402) 7.124 3.944 ( 0.572 1.347 -1.911) 2.407 4.020 ( -1.372 2.486 5.838) 6.492 4.041 ( 1.098 2.218 -2.804) 3.739 4.166 ( 4.577 -2.499 -2.572) 5.815 4.211 ( -2.777 -0.439 1.427) 3.153 4.312 ( 0.980 0.094 -0.139) 0.994 4.343 ( -2.183 -1.149 3.944) 4.652 4.495 ( 2.539 -0.848 -2.376) 3.580 4.580 ( -4.690 -3.638 -2.906) 6.609 4.634 ( 2.657 -1.557 5.230) 6.069 4.725 ( -1.448 -1.251 -0.716) 2.043 4.902 ( -0.908 -1.757 4.336) 4.766 4.961 ( -0.532 -3.616 -4.156) 5.535 5.009 ( 0.383 1.417 -2.607) 2.992 5.047 ( -3.088 -0.495 -2.676) 4.116 5.130 ( 1.101 0.141 5.155) 5.273 5.224 ( -1.903 0.532 -5.150) 5.516 5.361 ( 3.347 -2.649 3.247) 5.363 5.447 ( -1.848 -1.948 -2.596) 3.734 5.654 ( 6.080 -5.914 2.046) 8.725 5.782 ( -0.423 -7.878 -3.926) 8.812 5.868 ( -0.093 5.722 -0.851) 5.786 5.914 ( -2.944 3.336 0.084) 4.450 6.072 ( -0.065 0.082 4.225) 4.226 6.121 ( 0.524 0.276 -5.044) 5.079 6.336 ( 0.399 0.996 3.211) 3.386 6.378 ( -0.292 -0.200 -2.616) 2.640 6.860 ( 5.283 6.413 7.535) 11.217 6.995 ( -2.564 3.945 -2.268) 5.223 7.252 ( 1.554 -0.339 1.310) 2.061 7.304 ( -1.044 -1.081 -2.498) 2.915 ======================= Grid point 170 (86/88) ======================= q-point: ( 0.71 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 77 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( 6.850 -0.671 -8.355) 10.825 1.338 ( -6.850 -0.671 8.355) 10.825 1.524 ( -5.962 -4.392 0.262) 7.409 1.524 ( 5.962 -4.392 -0.262) 7.409 1.577 ( 0.129 3.842 -3.342) 5.094 1.577 ( -0.129 3.842 3.342) 5.094 1.691 ( 3.437 7.302 -5.729) 9.898 1.691 ( -3.437 7.302 5.729) 9.898 1.945 ( -0.913 -2.721 -2.192) 3.612 1.945 ( 0.913 -2.721 2.192) 3.612 2.244 ( -2.737 -2.010 -7.875) 8.576 2.244 ( 2.737 -2.010 7.875) 8.576 2.561 ( -2.932 -0.565 -4.916) 5.752 2.561 ( 2.932 -0.565 4.916) 5.752 2.604 ( 0.301 4.224 -3.090) 5.242 2.604 ( -0.301 4.224 3.090) 5.242 2.843 ( -5.949 -1.670 -0.335) 6.188 2.843 ( 5.949 -1.670 0.335) 6.188 3.087 ( -2.877 4.133 -4.484) 6.743 3.087 ( 2.877 4.133 4.484) 6.743 3.213 ( -3.118 -2.805 0.650) 4.244 3.213 ( 3.118 -2.805 -0.650) 4.244 3.464 ( -1.662 1.066 -3.357) 3.894 3.464 ( 1.662 1.066 3.357) 3.894 3.556 ( -6.449 -2.725 1.205) 7.104 3.556 ( 6.449 -2.725 -1.205) 7.104 3.682 ( 0.558 2.704 -6.514) 7.074 3.682 ( -0.558 2.704 6.514) 7.074 3.866 ( -1.081 1.448 -1.969) 2.672 3.866 ( 1.081 1.448 1.969) 2.672 4.018 ( 1.777 0.403 -4.973) 5.297 4.018 ( -1.777 0.403 4.973) 5.297 4.214 ( -0.764 -0.061 -1.317) 1.524 4.214 ( 0.764 -0.061 1.317) 1.524 4.351 ( 0.095 -1.065 -0.498) 1.179 4.351 ( -0.095 -1.065 0.498) 1.179 4.564 ( -5.618 -2.503 -2.433) 6.614 4.564 ( 5.618 -2.503 2.433) 6.614 4.713 ( -2.428 -1.057 -3.934) 4.742 4.713 ( 2.428 -1.057 3.934) 4.742 4.942 ( -2.534 -0.154 -3.841) 4.604 4.942 ( 2.534 -0.154 3.841) 4.604 5.019 ( -1.038 -0.340 -2.373) 2.612 5.019 ( 1.038 -0.340 2.373) 2.612 5.186 ( 0.125 -0.936 -4.144) 4.250 5.186 ( -0.125 -0.936 4.144) 4.250 5.434 ( -1.085 -0.324 -3.454) 3.635 5.434 ( 1.085 -0.324 3.454) 3.635 5.774 ( -2.341 1.346 -0.214) 2.709 5.774 ( 2.341 1.346 0.214) 2.709 5.868 ( 2.454 -2.747 -6.521) 7.490 5.868 ( -2.454 -2.747 6.521) 7.490 6.100 ( 2.118 -0.732 -5.842) 6.257 6.100 ( -2.118 -0.732 5.842) 6.257 6.342 ( 0.269 1.474 -4.770) 5.000 6.342 ( -0.269 1.474 4.770) 5.000 6.837 ( -5.178 5.713 -6.529) 10.103 6.837 ( 5.178 5.713 6.529) 10.103 7.301 ( -1.271 -1.507 -2.645) 3.299 7.301 ( 1.271 -1.507 2.645) 3.299 ======================= Grid point 176 (87/88) ======================= q-point: ( 0.43 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( 12.421 0.000 -8.228) 14.899 1.087 ( 13.240 0.000 -4.085) 13.856 1.262 ( -12.151 -0.000 4.188) 12.852 1.366 ( -15.263 -0.000 -0.273) 15.266 1.791 ( 4.271 0.000 8.950) 9.917 1.869 ( 6.846 0.000 -2.737) 7.373 1.987 ( 4.275 0.000 -2.525) 4.965 2.030 ( -8.097 -0.000 2.865) 8.589 2.140 ( -2.640 -0.000 0.079) 2.641 2.145 ( 3.247 0.000 7.908) 8.549 2.165 ( 9.728 0.000 -6.850) 11.898 2.233 ( -1.684 -0.000 -3.043) 3.478 2.373 ( -5.240 -0.000 0.216) 5.245 2.379 ( 4.041 0.000 -6.885) 7.983 2.515 ( 6.724 0.000 -4.633) 8.166 2.646 ( -11.558 -0.000 6.791) 13.406 2.868 ( 2.178 0.000 3.079) 3.771 2.895 ( 7.879 0.000 -4.880) 9.267 3.005 ( -2.997 -0.000 2.852) 4.137 3.049 ( -2.901 -0.000 -4.418) 5.285 3.114 ( 0.262 0.000 7.723) 7.728 3.216 ( 0.592 0.000 0.415) 0.723 3.409 ( 2.410 0.000 1.110) 2.654 3.557 ( -9.045 -0.000 0.617) 9.066 3.641 ( 0.678 0.000 3.505) 3.570 3.658 ( -1.858 -0.000 5.121) 5.448 3.773 ( -3.217 -0.000 0.621) 3.276 3.779 ( 1.785 0.000 -7.743) 7.946 4.019 ( 1.532 0.000 -0.638) 1.659 4.028 ( -2.809 -0.000 3.512) 4.497 4.133 ( 2.459 0.000 -3.771) 4.502 4.135 ( -0.004 -0.000 0.720) 0.720 4.224 ( 1.118 0.000 2.300) 2.557 4.226 ( 0.582 0.000 -2.959) 3.015 4.291 ( -1.967 -0.000 -3.081) 3.656 4.358 ( -5.260 -0.000 -3.296) 6.208 4.426 ( 2.583 0.000 3.030) 3.981 4.496 ( 0.743 0.000 0.171) 0.763 4.576 ( 2.869 0.000 -0.280) 2.883 4.651 ( -1.416 -0.000 -1.883) 2.356 4.768 ( -4.954 -0.000 10.151) 11.296 4.831 ( -1.627 -0.000 -5.112) 5.364 5.081 ( 1.284 0.000 -3.374) 3.610 5.093 ( -0.650 -0.000 -2.717) 2.794 5.164 ( 1.905 0.000 6.660) 6.927 5.257 ( 3.247 0.000 -3.847) 5.034 5.348 ( -1.201 -0.000 -1.011) 1.570 5.390 ( -0.834 -0.000 -0.681) 1.077 5.471 ( -0.482 -0.000 3.033) 3.072 5.517 ( 1.704 0.000 -4.594) 4.900 5.999 ( 0.832 0.000 1.690) 1.884 6.007 ( -0.220 -0.000 2.737) 2.746 6.100 ( 5.692 0.000 -6.568) 8.691 6.139 ( -4.676 -0.000 2.124) 5.136 6.335 ( 4.065 0.000 -5.794) 7.078 6.351 ( -4.223 -0.000 4.157) 5.925 6.987 ( 4.491 0.000 5.326) 6.966 7.075 ( -1.711 -0.000 5.124) 5.402 7.259 ( -1.122 -0.000 1.603) 1.956 7.297 ( 1.711 0.000 -6.019) 6.258 ======================= Grid point 177 (88/88) ======================= q-point: ( 0.57 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 77 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.177 ( 9.548 -4.916 -5.810) 12.210 1.177 ( -9.548 -4.916 5.810) 12.210 1.280 ( -10.994 -3.634 1.107) 11.632 1.280 ( 10.994 -3.634 -1.107) 11.632 1.824 ( 0.988 4.592 -7.249) 8.638 1.824 ( -0.988 4.592 7.249) 8.638 1.964 ( 0.411 3.581 -3.599) 5.093 1.964 ( -0.411 3.581 3.599) 5.093 2.068 ( -4.378 7.431 -5.058) 9.998 2.068 ( 4.378 7.431 5.058) 9.998 2.192 ( 3.439 0.872 -4.351) 5.614 2.192 ( -3.439 0.872 4.351) 5.614 2.422 ( -4.233 -4.897 -3.449) 7.334 2.422 ( 4.233 -4.897 3.449) 7.334 2.617 ( 7.609 -4.106 -4.583) 9.786 2.617 ( -7.609 -4.106 4.583) 9.786 2.862 ( -0.942 3.644 -3.693) 5.272 2.862 ( 0.942 3.644 3.693) 5.272 3.047 ( -7.879 -3.704 0.854) 8.748 3.047 ( 7.879 -3.704 -0.854) 8.748 3.198 ( -4.174 -1.265 -5.053) 6.675 3.198 ( 4.174 -1.265 5.053) 6.675 3.484 ( -8.345 -1.110 -1.182) 8.501 3.484 ( 8.345 -1.110 1.182) 8.501 3.593 ( 0.818 5.404 -6.429) 8.438 3.593 ( -0.818 5.404 6.429) 8.438 3.774 ( 1.069 0.569 -7.578) 7.674 3.774 ( -1.069 0.569 7.578) 7.674 4.000 ( 0.264 2.412 -1.948) 3.111 4.000 ( -0.264 2.412 1.948) 3.111 4.095 ( -0.635 3.044 -3.153) 4.428 4.095 ( 0.635 3.044 3.153) 4.428 4.204 ( -3.598 4.401 -1.511) 5.883 4.204 ( 3.598 4.401 1.511) 5.883 4.297 ( 2.430 -2.711 -3.395) 4.978 4.297 ( -2.430 -2.711 3.395) 4.978 4.487 ( -1.524 -1.523 -3.719) 4.298 4.487 ( 1.524 -1.523 3.719) 4.298 4.650 ( -3.117 -2.647 -3.640) 5.475 4.650 ( 3.117 -2.647 3.640) 5.475 4.848 ( 1.129 -5.186 -7.134) 8.892 4.848 ( -1.129 -5.186 7.134) 8.892 5.049 ( 0.129 2.616 -1.389) 2.964 5.049 ( -0.129 2.616 1.389) 2.964 5.207 ( -1.332 2.096 -5.066) 5.642 5.207 ( 1.332 2.096 5.066) 5.642 5.363 ( -2.168 -1.602 -3.058) 4.076 5.363 ( 2.168 -1.602 3.058) 4.076 5.587 ( -2.433 -7.811 -4.738) 9.455 5.587 ( 2.433 -7.811 4.738) 9.455 5.973 ( 1.266 4.150 -3.008) 5.279 5.973 ( -1.266 4.150 3.008) 5.279 6.105 ( 2.704 0.663 -5.892) 6.517 6.105 ( -2.704 0.663 5.892) 6.517 6.351 ( 3.030 -0.863 -4.923) 5.845 6.351 ( -3.030 -0.863 4.923) 5.845 7.023 ( -3.447 3.213 -3.574) 5.914 7.023 ( 3.447 3.213 3.574) 5.914 7.271 ( 0.491 0.114 -4.390) 4.419 7.271 ( -0.491 0.114 4.390) 4.419 =================== 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 3/17640 10.0 160.083 140.631 157.829 -0.000 9.594 0.000 3/17640 20.0 31.133 24.453 24.372 -0.000 0.421 0.000 3/17640 30.0 12.429 9.676 9.425 -0.000 -0.031 0.000 3/17640 40.0 7.000 5.443 5.271 -0.000 -0.081 0.000 3/17640 50.0 4.719 3.665 3.559 -0.000 -0.081 0.000 3/17640 60.0 3.532 2.740 2.678 -0.000 -0.073 0.000 3/17640 70.0 2.822 2.187 2.153 -0.000 -0.063 0.000 3/17640 80.0 2.355 1.823 1.808 -0.000 -0.055 0.000 3/17640 90.0 2.025 1.566 1.564 -0.000 -0.048 0.000 3/17640 100.0 1.780 1.375 1.381 -0.000 -0.043 0.000 3/17640 110.0 1.590 1.228 1.239 -0.000 -0.038 0.000 3/17640 120.0 1.438 1.110 1.125 -0.000 -0.034 0.000 3/17640 130.0 1.314 1.013 1.031 -0.000 -0.031 0.000 3/17640 140.0 1.211 0.933 0.952 -0.000 -0.028 0.000 3/17640 150.0 1.123 0.865 0.885 -0.000 -0.026 0.000 3/17640 160.0 1.048 0.806 0.827 -0.000 -0.024 0.000 3/17640 170.0 0.982 0.756 0.777 -0.000 -0.022 0.000 3/17640 180.0 0.924 0.711 0.732 -0.000 -0.021 0.000 3/17640 190.0 0.873 0.671 0.693 -0.000 -0.020 0.000 3/17640 200.0 0.827 0.636 0.657 -0.000 -0.018 0.000 3/17640 210.0 0.786 0.605 0.625 -0.000 -0.017 0.000 3/17640 220.0 0.749 0.576 0.596 -0.000 -0.017 0.000 3/17640 230.0 0.716 0.550 0.570 -0.000 -0.016 0.000 3/17640 240.0 0.685 0.526 0.546 -0.000 -0.015 0.000 3/17640 250.0 0.657 0.505 0.524 -0.000 -0.014 0.000 3/17640 260.0 0.631 0.485 0.503 -0.000 -0.014 0.000 3/17640 270.0 0.607 0.466 0.485 -0.000 -0.013 0.000 3/17640 280.0 0.585 0.449 0.467 -0.000 -0.013 0.000 3/17640 290.0 0.565 0.433 0.451 -0.000 -0.012 0.000 3/17640 300.0 0.545 0.419 0.436 -0.000 -0.012 0.000 3/17640 310.0 0.527 0.405 0.422 -0.000 -0.011 0.000 3/17640 320.0 0.511 0.392 0.408 -0.000 -0.011 0.000 3/17640 330.0 0.495 0.380 0.396 -0.000 -0.011 0.000 3/17640 340.0 0.480 0.369 0.384 -0.000 -0.010 0.000 3/17640 350.0 0.466 0.358 0.373 -0.000 -0.010 0.000 3/17640 360.0 0.453 0.348 0.363 -0.000 -0.010 0.000 3/17640 370.0 0.441 0.338 0.353 -0.000 -0.009 0.000 3/17640 380.0 0.429 0.329 0.344 -0.000 -0.009 0.000 3/17640 390.0 0.418 0.321 0.335 -0.000 -0.009 0.000 3/17640 400.0 0.408 0.313 0.327 -0.000 -0.009 0.000 3/17640 410.0 0.398 0.305 0.319 -0.000 -0.008 0.000 3/17640 420.0 0.388 0.298 0.311 -0.000 -0.008 0.000 3/17640 430.0 0.379 0.291 0.304 -0.000 -0.008 0.000 3/17640 440.0 0.370 0.284 0.297 -0.000 -0.008 0.000 3/17640 450.0 0.362 0.278 0.290 -0.000 -0.008 0.000 3/17640 460.0 0.354 0.272 0.284 -0.000 -0.007 0.000 3/17640 470.0 0.347 0.266 0.278 -0.000 -0.007 0.000 3/17640 480.0 0.339 0.260 0.272 -0.000 -0.007 0.000 3/17640 490.0 0.332 0.255 0.267 -0.000 -0.007 0.000 3/17640 500.0 0.326 0.250 0.261 -0.000 -0.007 0.000 3/17640 510.0 0.319 0.245 0.256 -0.000 -0.007 0.000 3/17640 520.0 0.313 0.240 0.251 -0.000 -0.007 0.000 3/17640 530.0 0.307 0.236 0.246 -0.000 -0.006 0.000 3/17640 540.0 0.301 0.231 0.242 -0.000 -0.006 0.000 3/17640 550.0 0.296 0.227 0.237 -0.000 -0.006 0.000 3/17640 560.0 0.291 0.223 0.233 -0.000 -0.006 0.000 3/17640 570.0 0.285 0.219 0.229 -0.000 -0.006 0.000 3/17640 580.0 0.281 0.215 0.225 -0.000 -0.006 0.000 3/17640 590.0 0.276 0.211 0.221 -0.000 -0.006 0.000 3/17640 600.0 0.271 0.208 0.218 -0.000 -0.006 0.000 3/17640 610.0 0.267 0.204 0.214 -0.000 -0.006 0.000 3/17640 620.0 0.262 0.201 0.211 -0.000 -0.005 0.000 3/17640 630.0 0.258 0.198 0.207 -0.000 -0.005 0.000 3/17640 640.0 0.254 0.195 0.204 -0.000 -0.005 0.000 3/17640 650.0 0.250 0.192 0.201 -0.000 -0.005 0.000 3/17640 660.0 0.246 0.189 0.198 -0.000 -0.005 0.000 3/17640 670.0 0.243 0.186 0.195 -0.000 -0.005 0.000 3/17640 680.0 0.239 0.183 0.192 -0.000 -0.005 0.000 3/17640 690.0 0.236 0.181 0.189 -0.000 -0.005 0.000 3/17640 700.0 0.232 0.178 0.187 -0.000 -0.005 0.000 3/17640 710.0 0.229 0.176 0.184 -0.000 -0.005 0.000 3/17640 720.0 0.226 0.173 0.181 -0.000 -0.005 0.000 3/17640 730.0 0.223 0.171 0.179 -0.000 -0.005 0.000 3/17640 740.0 0.220 0.168 0.177 -0.000 -0.005 0.000 3/17640 750.0 0.217 0.166 0.174 -0.000 -0.004 0.000 3/17640 760.0 0.214 0.164 0.172 -0.000 -0.004 0.000 3/17640 770.0 0.211 0.162 0.170 -0.000 -0.004 0.000 3/17640 780.0 0.208 0.160 0.168 -0.000 -0.004 0.000 3/17640 790.0 0.206 0.158 0.165 -0.000 -0.004 0.000 3/17640 800.0 0.203 0.156 0.163 -0.000 -0.004 0.000 3/17640 810.0 0.201 0.154 0.161 -0.000 -0.004 0.000 3/17640 820.0 0.198 0.152 0.159 -0.000 -0.004 0.000 3/17640 830.0 0.196 0.150 0.157 -0.000 -0.004 0.000 3/17640 840.0 0.194 0.148 0.156 -0.000 -0.004 0.000 3/17640 850.0 0.191 0.147 0.154 -0.000 -0.004 0.000 3/17640 860.0 0.189 0.145 0.152 -0.000 -0.004 0.000 3/17640 870.0 0.187 0.143 0.150 -0.000 -0.004 0.000 3/17640 880.0 0.185 0.142 0.148 -0.000 -0.004 0.000 3/17640 890.0 0.183 0.140 0.147 -0.000 -0.004 0.000 3/17640 900.0 0.181 0.138 0.145 -0.000 -0.004 0.000 3/17640 910.0 0.179 0.137 0.144 -0.000 -0.004 0.000 3/17640 920.0 0.177 0.135 0.142 -0.000 -0.004 0.000 3/17640 930.0 0.175 0.134 0.141 -0.000 -0.004 0.000 3/17640 940.0 0.173 0.133 0.139 -0.000 -0.004 0.000 3/17640 950.0 0.171 0.131 0.138 -0.000 -0.004 0.000 3/17640 960.0 0.169 0.130 0.136 -0.000 -0.003 0.000 3/17640 970.0 0.168 0.128 0.135 -0.000 -0.003 0.000 3/17640 980.0 0.166 0.127 0.133 -0.000 -0.003 0.000 3/17640 990.0 0.164 0.126 0.132 -0.000 -0.003 0.000 3/17640 1000.0 0.163 0.125 0.131 -0.000 -0.003 0.000 3/17640 Thermal conductivity related properties were written into "kappa-m776.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:55:55]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|