----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 21:40:18]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R3m (160) Number of symmetry operations in supercell: 18 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.626166889955831 2.093568430042503 5.925773706666659 b -3.626166889955824 2.093568430042503 5.925773706666659 c 0.000000000000004 -4.187136860085012 5.925773706666659 Atomic positions (fractional): *1 Li 0.98731575064855 0.98731575064855 0.98731575064855 6.941 *2 Li 0.92806315799100 0.56381070704464 0.92806315799100 6.941 3 Li 0.56381070704463 0.92806315799100 0.92806315799100 6.941 4 Li 0.92806315799100 0.92806315799100 0.56381070704463 6.941 *5 Li 0.57344179988073 0.57344179988073 0.91997180425878 6.941 6 Li 0.57344179988073 0.91997180425878 0.57344179988073 6.941 7 Li 0.91997180425878 0.57344179988073 0.57344179988073 6.941 *8 Li 0.78083683708161 0.20953876097385 0.78083683708161 6.941 9 Li 0.20953876097385 0.78083683708161 0.78083683708161 6.941 10 Li 0.78083683708161 0.78083683708161 0.20953876097385 6.941 *11 Li 0.20549123148458 0.20549123148458 0.71674017634728 6.941 12 Li 0.20549123148458 0.71674017634729 0.20549123148458 6.941 13 Li 0.71674017634729 0.20549123148458 0.20549123148458 6.941 *14 Li 0.10298021632205 0.10298021632205 0.10298021632205 6.941 *15 I 0.49943005222307 0.49943005222307 0.49943005222307 126.904 *16 I 0.26098901028344 0.26098901028344 0.26098901028344 126.904 *17 N 0.87482603232763 0.87482603232763 0.87482603232763 14.007 *18 N 0.34516913620952 0.88414211690930 0.88414211690930 14.007 19 N 0.88414211690930 0.34516913620952 0.88414211690930 14.007 20 N 0.88414211690930 0.88414211690930 0.34516913620952 14.007 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.252333779911655 0.000000000000000 0.000000000000000 b -3.626166889955828 6.280705290127515 0.000000000000000 c 0.000000000000000 0.000000000000000 17.777321119999996 Atomic positions (fractional): *1 Li 0.66666666666667 0.33333333333333 0.32064908398188 6.941 > 1 *2 Li 0.78808415031545 0.21191584968455 0.13997900767554 6.941 > 2 3 Li 0.42383169936909 0.21191584968455 0.13997900767554 6.941 > 3 4 Li 0.78808415031545 0.57616830063091 0.13997900767554 6.941 > 4 *5 Li 0.55115666520732 0.10231333041464 0.02228513467341 6.941 > 5 6 Li 0.55115666520732 0.44884333479268 0.02228513467341 6.941 > 6 7 Li 0.89768666958536 0.44884333479268 0.02228513467341 6.941 > 7 *8 Li 0.52376602536925 0.47623397463075 0.25707081171236 6.941 > 8 9 Li 0.95246794926149 0.47623397463075 0.25707081171236 6.941 > 9 10 Li 0.52376602536925 0.04753205073851 0.25707081171236 6.941 > 10 *11 Li 0.16291701837910 0.32583403675820 0.04257421310548 6.941 > 11 12 Li 0.16291701837910 0.83708298162090 0.04257421310548 6.941 > 12 13 Li 0.67416596324180 0.83708298162090 0.04257421310548 6.941 > 13 *14 Li 0.00000000000000 0.00000000000000 0.10298021632205 6.941 > 14 15 Li 0.33333333333333 0.66666666666667 0.65398241731522 6.941 > 1 16 Li 0.45475081698212 0.54524918301788 0.47331234100888 6.941 > 2 17 Li 0.09049836603576 0.54524918301788 0.47331234100888 6.941 > 3 18 Li 0.45475081698212 0.90950163396424 0.47331234100888 6.941 > 4 19 Li 0.21782333187398 0.43564666374797 0.35561846800675 6.941 > 5 20 Li 0.21782333187398 0.78217666812602 0.35561846800675 6.941 > 6 21 Li 0.56435333625203 0.78217666812602 0.35561846800675 6.941 > 7 22 Li 0.19043269203592 0.80956730796408 0.59040414504569 6.941 > 8 23 Li 0.61913461592816 0.80956730796408 0.59040414504569 6.941 > 9 24 Li 0.19043269203592 0.38086538407184 0.59040414504569 6.941 > 10 25 Li 0.82958368504577 0.65916737009153 0.37590754643882 6.941 > 11 26 Li 0.82958368504577 0.17041631495423 0.37590754643882 6.941 > 12 27 Li 0.34083262990847 0.17041631495423 0.37590754643882 6.941 > 13 28 Li 0.66666666666667 0.33333333333333 0.43631354965538 6.941 > 14 29 Li 0.00000000000000 0.00000000000000 0.98731575064855 6.941 > 1 30 Li 0.12141748364879 0.87858251635121 0.80664567434221 6.941 > 2 31 Li 0.75716503270242 0.87858251635121 0.80664567434221 6.941 > 3 32 Li 0.12141748364879 0.24283496729758 0.80664567434221 6.941 > 4 33 Li 0.88448999854065 0.76897999708130 0.68895180134008 6.941 > 5 34 Li 0.88448999854065 0.11551000145935 0.68895180134008 6.941 > 6 35 Li 0.23102000291870 0.11551000145935 0.68895180134008 6.941 > 7 36 Li 0.85709935870259 0.14290064129741 0.92373747837903 6.941 > 8 37 Li 0.28580128259483 0.14290064129741 0.92373747837903 6.941 > 9 38 Li 0.85709935870259 0.71419871740517 0.92373747837903 6.941 > 10 39 Li 0.49625035171243 0.99250070342486 0.70924087977215 6.941 > 11 40 Li 0.49625035171243 0.50374964828757 0.70924087977215 6.941 > 12 41 Li 0.00749929657514 0.50374964828757 0.70924087977215 6.941 > 13 42 Li 0.33333333333333 0.66666666666667 0.76964688298871 6.941 > 14 *43 I 0.33333333333333 0.66666666666667 0.16609671888974 126.904 > 15 *44 I 0.00000000000000 0.00000000000000 0.26098901028344 126.904 > 16 45 I 0.00000000000000 0.00000000000000 0.49943005222307 126.904 > 15 46 I 0.66666666666667 0.33333333333333 0.59432234361678 126.904 > 16 47 I 0.66666666666667 0.33333333333333 0.83276338555641 126.904 > 15 48 I 0.33333333333333 0.66666666666667 0.92765567695011 126.904 > 16 *49 N 0.66666666666667 0.33333333333333 0.20815936566096 14.007 > 17 *50 N 0.30735134620015 0.15367567310007 0.03781779000938 14.007 > 18 51 N 0.84632432689993 0.15367567310007 0.03781779000938 14.007 > 19 52 N 0.84632432689993 0.69264865379985 0.03781779000938 14.007 > 20 53 N 0.33333333333333 0.66666666666667 0.54149269899429 14.007 > 17 54 N 0.97401801286681 0.48700900643341 0.37115112334271 14.007 > 18 55 N 0.51299099356659 0.48700900643341 0.37115112334271 14.007 > 19 56 N 0.51299099356659 0.02598198713319 0.37115112334271 14.007 > 20 57 N 0.00000000000000 0.00000000000000 0.87482603232763 14.007 > 17 58 N 0.64068467953348 0.82034233976674 0.70448445667604 14.007 > 18 59 N 0.17965766023326 0.82034233976674 0.70448445667604 14.007 > 19 60 N 0.17965766023326 0.35931532046652 0.70448445667604 14.007 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 7.252333779911655 0.000000000000000 0.000000000000000 b -3.626166889955828 6.280705290127515 0.000000000000000 c 0.000000000000000 0.000000000000000 17.777321119999996 Atomic positions (fractional): *1 Li 0.66666666666667 0.33333333333333 0.32064908398188 6.941 > 1 *2 Li 0.78808415031545 0.21191584968455 0.13997900767554 6.941 > 2 3 Li 0.42383169936909 0.21191584968455 0.13997900767554 6.941 > 3 4 Li 0.78808415031545 0.57616830063091 0.13997900767554 6.941 > 4 *5 Li 0.55115666520732 0.10231333041464 0.02228513467341 6.941 > 5 6 Li 0.55115666520732 0.44884333479268 0.02228513467341 6.941 > 6 7 Li 0.89768666958536 0.44884333479268 0.02228513467341 6.941 > 7 *8 Li 0.52376602536925 0.47623397463075 0.25707081171236 6.941 > 8 9 Li 0.95246794926149 0.47623397463075 0.25707081171236 6.941 > 9 10 Li 0.52376602536925 0.04753205073851 0.25707081171236 6.941 > 10 *11 Li 0.16291701837910 0.32583403675820 0.04257421310548 6.941 > 11 12 Li 0.16291701837910 0.83708298162090 0.04257421310548 6.941 > 12 13 Li 0.67416596324180 0.83708298162090 0.04257421310548 6.941 > 13 *14 Li 0.00000000000000 0.00000000000000 0.10298021632205 6.941 > 14 15 Li 0.33333333333333 0.66666666666667 0.65398241731522 6.941 > 1 16 Li 0.45475081698212 0.54524918301788 0.47331234100888 6.941 > 2 17 Li 0.09049836603576 0.54524918301788 0.47331234100888 6.941 > 3 18 Li 0.45475081698212 0.90950163396424 0.47331234100888 6.941 > 4 19 Li 0.21782333187398 0.43564666374797 0.35561846800675 6.941 > 5 20 Li 0.21782333187398 0.78217666812602 0.35561846800675 6.941 > 6 21 Li 0.56435333625203 0.78217666812602 0.35561846800675 6.941 > 7 22 Li 0.19043269203592 0.80956730796408 0.59040414504569 6.941 > 8 23 Li 0.61913461592816 0.80956730796408 0.59040414504569 6.941 > 9 24 Li 0.19043269203592 0.38086538407184 0.59040414504569 6.941 > 10 25 Li 0.82958368504577 0.65916737009153 0.37590754643882 6.941 > 11 26 Li 0.82958368504577 0.17041631495423 0.37590754643882 6.941 > 12 27 Li 0.34083262990847 0.17041631495423 0.37590754643882 6.941 > 13 28 Li 0.66666666666667 0.33333333333333 0.43631354965538 6.941 > 14 29 Li 0.00000000000000 0.00000000000000 0.98731575064855 6.941 > 1 30 Li 0.12141748364879 0.87858251635121 0.80664567434221 6.941 > 2 31 Li 0.75716503270242 0.87858251635121 0.80664567434221 6.941 > 3 32 Li 0.12141748364879 0.24283496729758 0.80664567434221 6.941 > 4 33 Li 0.88448999854065 0.76897999708130 0.68895180134008 6.941 > 5 34 Li 0.88448999854065 0.11551000145935 0.68895180134008 6.941 > 6 35 Li 0.23102000291870 0.11551000145935 0.68895180134008 6.941 > 7 36 Li 0.85709935870259 0.14290064129741 0.92373747837903 6.941 > 8 37 Li 0.28580128259483 0.14290064129741 0.92373747837903 6.941 > 9 38 Li 0.85709935870259 0.71419871740517 0.92373747837903 6.941 > 10 39 Li 0.49625035171243 0.99250070342486 0.70924087977215 6.941 > 11 40 Li 0.49625035171243 0.50374964828757 0.70924087977215 6.941 > 12 41 Li 0.00749929657514 0.50374964828757 0.70924087977215 6.941 > 13 42 Li 0.33333333333333 0.66666666666667 0.76964688298871 6.941 > 14 *43 I 0.33333333333333 0.66666666666667 0.16609671888974 126.904 > 15 *44 I 0.00000000000000 0.00000000000000 0.26098901028344 126.904 > 16 45 I 0.00000000000000 0.00000000000000 0.49943005222307 126.904 > 15 46 I 0.66666666666667 0.33333333333333 0.59432234361678 126.904 > 16 47 I 0.66666666666667 0.33333333333333 0.83276338555641 126.904 > 15 48 I 0.33333333333333 0.66666666666667 0.92765567695011 126.904 > 16 *49 N 0.66666666666667 0.33333333333333 0.20815936566096 14.007 > 17 *50 N 0.30735134620015 0.15367567310007 0.03781779000938 14.007 > 18 51 N 0.84632432689993 0.15367567310007 0.03781779000938 14.007 > 19 52 N 0.84632432689993 0.69264865379985 0.03781779000938 14.007 > 20 53 N 0.33333333333333 0.66666666666667 0.54149269899429 14.007 > 17 54 N 0.97401801286681 0.48700900643341 0.37115112334271 14.007 > 18 55 N 0.51299099356659 0.48700900643341 0.37115112334271 14.007 > 19 56 N 0.51299099356659 0.02598198713319 0.37115112334271 14.007 > 20 57 N 0.00000000000000 0.00000000000000 0.87482603232763 14.007 > 17 58 N 0.64068467953348 0.82034233976674 0.70448445667604 14.007 > 18 59 N 0.17965766023326 0.82034233976674 0.70448445667604 14.007 > 19 60 N 0.17965766023326 0.35931532046652 0.70448445667604 14.007 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.2448434 -0.0000000 0.0000000 0.0000000 5.2448434 0.0000000 0.0000000 0.0000000 5.3212359 -------------------------- Born effective charges -------------------------- 1 Li 0.6599603 -0.0000000 -0.0000000 0.0000000 0.6599603 -0.0000000 -0.0000000 0.0000000 0.7060350 2 Li 0.9143708 -0.0640567 0.0776021 -0.0640567 0.8404046 -0.0448036 0.0308918 -0.0178354 0.9522884 3 Li 0.9143708 0.0640567 -0.0776021 0.0640567 0.8404046 -0.0448036 -0.0308918 -0.0178354 0.9522884 4 Li 0.8034214 0.0000000 0.0000000 0.0000000 0.9513540 0.0896072 -0.0000000 0.0356708 0.9522884 5 Li 0.8176400 0.0000000 0.0000000 -0.0000000 1.1032778 0.1449454 -0.0000000 0.1551218 0.9801355 6 Li 1.0318683 -0.1236848 0.1255264 -0.1236848 0.8890494 -0.0724727 0.1343394 -0.0775609 0.9801355 7 Li 1.0318683 0.1236848 -0.1255264 0.1236848 0.8890494 -0.0724727 -0.1343394 -0.0775609 0.9801355 8 Li 0.9651414 -0.1083387 0.0490685 -0.1083387 0.8400426 -0.0283297 0.0918205 -0.0530126 1.0091994 9 Li 0.9651414 0.1083387 -0.0490685 0.1083387 0.8400426 -0.0283297 -0.0918205 -0.0530126 1.0091994 10 Li 0.7774933 0.0000000 0.0000000 0.0000000 1.0276907 0.0566594 -0.0000000 0.1060251 1.0091994 11 Li 0.8749549 0.0000000 0.0000000 -0.0000000 1.0658584 0.0959975 -0.0000000 0.0610506 0.8478938 12 Li 1.0181326 -0.0826637 0.0831363 -0.0826637 0.9226808 -0.0479988 0.0528713 -0.0305253 0.8478938 13 Li 1.0181326 0.0826637 -0.0831363 0.0826637 0.9226808 -0.0479988 -0.0528713 -0.0305253 0.8478938 14 Li 0.8109110 -0.0000000 -0.0000000 -0.0000000 0.8109110 -0.0000000 -0.0000000 0.0000000 1.1415286 15 I -1.4136124 0.0000000 -0.0000000 0.0000000 -1.4136124 -0.0000000 -0.0000000 0.0000000 -1.7948670 16 I -1.4023949 0.0000000 -0.0000000 0.0000000 -1.4023949 -0.0000000 -0.0000000 0.0000000 -1.7995664 17 N -2.3043935 0.0000000 -0.0000000 0.0000000 -2.3043935 -0.0000000 -0.0000000 0.0000000 -2.7068237 18 N -2.5332896 -0.0674705 -0.0592850 -0.0674705 -2.4553813 -0.0342282 -0.0827448 -0.0477727 -2.3049526 19 N -2.5332896 0.0674705 0.0592850 0.0674705 -2.4553813 -0.0342282 0.0827448 -0.0477727 -2.3049526 20 N -2.4164272 -0.0000000 0.0000000 0.0000000 -2.5722437 0.0684564 -0.0000000 0.0955454 -2.3049526 ---------------------------------------------------------------------------- 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: 180/180 Permutation basis: 7314/7314 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 995 Number of blocks in projector: 765 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 425 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 375 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 195 Use standard eigh solver. Tree of FC basis block matrices: - (995, 960), data: False |-- (195, 185), data: True |-- (375, 365), data: True |-- (425, 410), data: True ----- Solver_atoms: 1 -- 60 / 60 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 400 - Time: 0.540 Solver_block: 200 / 400 - Time: 0.542 Solver_block: 300 / 400 - Time: 0.542 Solver_block: 400 / 400 - Time: 0.542 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.183 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 180/180 Permutation basis: 7314/7314 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 995 Number of blocks in projector: 765 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 425 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 375 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 195 Use standard eigh solver. Tree of FC basis block matrices: - (995, 960), data: False |-- (195, 185), data: True |-- (375, 365), data: True |-- (425, 410), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 21:40:30]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 21:40:30]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R3m (160) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.626166889955831 2.093568430042503 5.925773706666659 b -3.626166889955824 2.093568430042503 5.925773706666659 c 0.000000000000004 -4.187136860085012 5.925773706666659 Atomic positions (fractional): 1 Li 0.98731575064855 0.98731575064855 0.98731575064855 6.941 2 Li 0.92806315799100 0.56381070704464 0.92806315799100 6.941 3 Li 0.56381070704463 0.92806315799100 0.92806315799100 6.941 4 Li 0.92806315799100 0.92806315799100 0.56381070704463 6.941 5 Li 0.57344179988073 0.57344179988073 0.91997180425878 6.941 6 Li 0.57344179988073 0.91997180425878 0.57344179988073 6.941 7 Li 0.91997180425878 0.57344179988073 0.57344179988073 6.941 8 Li 0.78083683708161 0.20953876097385 0.78083683708161 6.941 9 Li 0.20953876097385 0.78083683708161 0.78083683708161 6.941 10 Li 0.78083683708161 0.78083683708161 0.20953876097385 6.941 11 Li 0.20549123148458 0.20549123148458 0.71674017634728 6.941 12 Li 0.20549123148458 0.71674017634729 0.20549123148458 6.941 13 Li 0.71674017634729 0.20549123148458 0.20549123148458 6.941 14 Li 0.10298021632205 0.10298021632205 0.10298021632205 6.941 15 I 0.49943005222307 0.49943005222307 0.49943005222307 126.904 16 I 0.26098901028344 0.26098901028344 0.26098901028344 126.904 17 N 0.87482603232763 0.87482603232763 0.87482603232763 14.007 18 N 0.34516913620952 0.88414211690930 0.88414211690930 14.007 19 N 0.88414211690930 0.34516913620952 0.88414211690930 14.007 20 N 0.88414211690930 0.88414211690930 0.34516913620952 14.007 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.252333779911655 0.000000000000000 0.000000000000000 b -3.626166889955828 6.280705290127515 0.000000000000000 c 0.000000000000000 0.000000000000000 17.777321119999996 Atomic positions (fractional): 1 Li 0.66666666666667 0.33333333333333 0.32064908398188 6.941 > 1 2 Li 0.78808415031545 0.21191584968455 0.13997900767554 6.941 > 2 3 Li 0.42383169936909 0.21191584968455 0.13997900767554 6.941 > 3 4 Li 0.78808415031545 0.57616830063091 0.13997900767554 6.941 > 4 5 Li 0.55115666520732 0.10231333041464 0.02228513467341 6.941 > 5 6 Li 0.55115666520732 0.44884333479268 0.02228513467341 6.941 > 6 7 Li 0.89768666958536 0.44884333479268 0.02228513467341 6.941 > 7 8 Li 0.52376602536925 0.47623397463075 0.25707081171236 6.941 > 8 9 Li 0.95246794926149 0.47623397463075 0.25707081171236 6.941 > 9 10 Li 0.52376602536925 0.04753205073851 0.25707081171236 6.941 > 10 11 Li 0.16291701837910 0.32583403675820 0.04257421310548 6.941 > 11 12 Li 0.16291701837910 0.83708298162090 0.04257421310548 6.941 > 12 13 Li 0.67416596324180 0.83708298162090 0.04257421310548 6.941 > 13 14 Li 0.00000000000000 0.00000000000000 0.10298021632205 6.941 > 14 15 Li 0.33333333333333 0.66666666666667 0.65398241731522 6.941 > 1 16 Li 0.45475081698212 0.54524918301788 0.47331234100888 6.941 > 2 17 Li 0.09049836603576 0.54524918301788 0.47331234100888 6.941 > 3 18 Li 0.45475081698212 0.90950163396424 0.47331234100888 6.941 > 4 19 Li 0.21782333187398 0.43564666374797 0.35561846800675 6.941 > 5 20 Li 0.21782333187398 0.78217666812602 0.35561846800675 6.941 > 6 21 Li 0.56435333625203 0.78217666812602 0.35561846800675 6.941 > 7 22 Li 0.19043269203592 0.80956730796408 0.59040414504569 6.941 > 8 23 Li 0.61913461592816 0.80956730796408 0.59040414504569 6.941 > 9 24 Li 0.19043269203592 0.38086538407184 0.59040414504569 6.941 > 10 25 Li 0.82958368504577 0.65916737009153 0.37590754643882 6.941 > 11 26 Li 0.82958368504577 0.17041631495423 0.37590754643882 6.941 > 12 27 Li 0.34083262990847 0.17041631495423 0.37590754643882 6.941 > 13 28 Li 0.66666666666667 0.33333333333333 0.43631354965538 6.941 > 14 29 Li 0.00000000000000 0.00000000000000 0.98731575064855 6.941 > 1 30 Li 0.12141748364879 0.87858251635121 0.80664567434221 6.941 > 2 31 Li 0.75716503270242 0.87858251635121 0.80664567434221 6.941 > 3 32 Li 0.12141748364879 0.24283496729758 0.80664567434221 6.941 > 4 33 Li 0.88448999854065 0.76897999708130 0.68895180134008 6.941 > 5 34 Li 0.88448999854065 0.11551000145935 0.68895180134008 6.941 > 6 35 Li 0.23102000291870 0.11551000145935 0.68895180134008 6.941 > 7 36 Li 0.85709935870259 0.14290064129741 0.92373747837903 6.941 > 8 37 Li 0.28580128259483 0.14290064129741 0.92373747837903 6.941 > 9 38 Li 0.85709935870259 0.71419871740517 0.92373747837903 6.941 > 10 39 Li 0.49625035171243 0.99250070342486 0.70924087977215 6.941 > 11 40 Li 0.49625035171243 0.50374964828757 0.70924087977215 6.941 > 12 41 Li 0.00749929657514 0.50374964828757 0.70924087977215 6.941 > 13 42 Li 0.33333333333333 0.66666666666667 0.76964688298871 6.941 > 14 43 I 0.33333333333333 0.66666666666667 0.16609671888974 126.904 > 43 44 I 0.00000000000000 0.00000000000000 0.26098901028344 126.904 > 44 45 I 0.00000000000000 0.00000000000000 0.49943005222307 126.904 > 43 46 I 0.66666666666667 0.33333333333333 0.59432234361678 126.904 > 44 47 I 0.66666666666667 0.33333333333333 0.83276338555641 126.904 > 43 48 I 0.33333333333333 0.66666666666667 0.92765567695011 126.904 > 44 49 N 0.66666666666667 0.33333333333333 0.20815936566096 14.007 > 49 50 N 0.30735134620015 0.15367567310007 0.03781779000938 14.007 > 50 51 N 0.84632432689993 0.15367567310007 0.03781779000938 14.007 > 51 52 N 0.84632432689993 0.69264865379985 0.03781779000938 14.007 > 52 53 N 0.33333333333333 0.66666666666667 0.54149269899429 14.007 > 49 54 N 0.97401801286681 0.48700900643341 0.37115112334271 14.007 > 50 55 N 0.51299099356659 0.48700900643341 0.37115112334271 14.007 > 51 56 N 0.51299099356659 0.02598198713319 0.37115112334271 14.007 > 52 57 N 0.00000000000000 0.00000000000000 0.87482603232763 14.007 > 49 58 N 0.64068467953348 0.82034233976674 0.70448445667604 14.007 > 50 59 N 0.17965766023326 0.82034233976674 0.70448445667604 14.007 > 51 60 N 0.17965766023326 0.35931532046652 0.70448445667604 14.007 > 52 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.2448434 -0.0000000 0.0000000 0.0000000 5.2448434 0.0000000 0.0000000 0.0000000 5.3212359 -------------------------- Born effective charges -------------------------- 1 Li 0.6599603 -0.0000000 -0.0000000 0.0000000 0.6599603 -0.0000000 -0.0000000 0.0000000 0.7060350 2 Li 0.9143708 -0.0640567 0.0776021 -0.0640567 0.8404046 -0.0448036 0.0308918 -0.0178354 0.9522884 3 Li 0.9143708 0.0640567 -0.0776021 0.0640567 0.8404046 -0.0448036 -0.0308918 -0.0178354 0.9522884 4 Li 0.8034214 0.0000000 0.0000000 0.0000000 0.9513540 0.0896072 -0.0000000 0.0356708 0.9522884 5 Li 0.8176400 0.0000000 0.0000000 -0.0000000 1.1032778 0.1449454 -0.0000000 0.1551218 0.9801355 6 Li 1.0318683 -0.1236848 0.1255264 -0.1236848 0.8890494 -0.0724727 0.1343394 -0.0775609 0.9801355 7 Li 1.0318683 0.1236848 -0.1255264 0.1236848 0.8890494 -0.0724727 -0.1343394 -0.0775609 0.9801355 8 Li 0.9651414 -0.1083387 0.0490685 -0.1083387 0.8400426 -0.0283297 0.0918205 -0.0530126 1.0091994 9 Li 0.9651414 0.1083387 -0.0490685 0.1083387 0.8400426 -0.0283297 -0.0918205 -0.0530126 1.0091994 10 Li 0.7774933 0.0000000 0.0000000 0.0000000 1.0276907 0.0566594 -0.0000000 0.1060251 1.0091994 11 Li 0.8749549 0.0000000 0.0000000 -0.0000000 1.0658584 0.0959975 -0.0000000 0.0610506 0.8478938 12 Li 1.0181326 -0.0826637 0.0831363 -0.0826637 0.9226808 -0.0479988 0.0528713 -0.0305253 0.8478938 13 Li 1.0181326 0.0826637 -0.0831363 0.0826637 0.9226808 -0.0479988 -0.0528713 -0.0305253 0.8478938 14 Li 0.8109110 -0.0000000 -0.0000000 -0.0000000 0.8109110 -0.0000000 -0.0000000 0.0000000 1.1415286 15 I -1.4136124 0.0000000 -0.0000000 0.0000000 -1.4136124 -0.0000000 -0.0000000 0.0000000 -1.7948670 16 I -1.4023949 0.0000000 -0.0000000 0.0000000 -1.4023949 -0.0000000 -0.0000000 0.0000000 -1.7995664 17 N -2.3043935 0.0000000 -0.0000000 0.0000000 -2.3043935 -0.0000000 -0.0000000 0.0000000 -2.7068237 18 N -2.5332896 -0.0674705 -0.0592850 -0.0674705 -2.4553813 -0.0342282 -0.0827448 -0.0477727 -2.3049526 19 N -2.5332896 0.0674705 0.0592850 0.0674705 -2.4553813 -0.0342282 0.0827448 -0.0477727 -2.3049526 20 N -2.4164272 -0.0000000 0.0000000 0.0000000 -2.5722437 0.0684564 -0.0000000 0.0955454 -2.3049526 ---------------------------------------------------------------------------- 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 2, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 8, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 11, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 14, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 43, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 44, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 50, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (yyz) 0.00000000 (yyz) 0.00000000 (yzy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) 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 21:40:39]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 21:40:40]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R3m (160) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.626166889955831 2.093568430042503 5.925773706666659 b -3.626166889955824 2.093568430042503 5.925773706666659 c 0.000000000000004 -4.187136860085012 5.925773706666659 Atomic positions (fractional): 1 Li 0.98731575064855 0.98731575064855 0.98731575064855 6.941 2 Li 0.92806315799100 0.56381070704464 0.92806315799100 6.941 3 Li 0.56381070704463 0.92806315799100 0.92806315799100 6.941 4 Li 0.92806315799100 0.92806315799100 0.56381070704463 6.941 5 Li 0.57344179988073 0.57344179988073 0.91997180425878 6.941 6 Li 0.57344179988073 0.91997180425878 0.57344179988073 6.941 7 Li 0.91997180425878 0.57344179988073 0.57344179988073 6.941 8 Li 0.78083683708161 0.20953876097385 0.78083683708161 6.941 9 Li 0.20953876097385 0.78083683708161 0.78083683708161 6.941 10 Li 0.78083683708161 0.78083683708161 0.20953876097385 6.941 11 Li 0.20549123148458 0.20549123148458 0.71674017634728 6.941 12 Li 0.20549123148458 0.71674017634729 0.20549123148458 6.941 13 Li 0.71674017634729 0.20549123148458 0.20549123148458 6.941 14 Li 0.10298021632205 0.10298021632205 0.10298021632205 6.941 15 I 0.49943005222307 0.49943005222307 0.49943005222307 126.904 16 I 0.26098901028344 0.26098901028344 0.26098901028344 126.904 17 N 0.87482603232763 0.87482603232763 0.87482603232763 14.007 18 N 0.34516913620952 0.88414211690930 0.88414211690930 14.007 19 N 0.88414211690930 0.34516913620952 0.88414211690930 14.007 20 N 0.88414211690930 0.88414211690930 0.34516913620952 14.007 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.252333779911655 0.000000000000000 0.000000000000000 b -3.626166889955828 6.280705290127515 0.000000000000000 c 0.000000000000000 0.000000000000000 17.777321119999996 Atomic positions (fractional): 1 Li 0.66666666666667 0.33333333333333 0.32064908398188 6.941 > 1 2 Li 0.78808415031545 0.21191584968455 0.13997900767554 6.941 > 2 3 Li 0.42383169936909 0.21191584968455 0.13997900767554 6.941 > 3 4 Li 0.78808415031545 0.57616830063091 0.13997900767554 6.941 > 4 5 Li 0.55115666520732 0.10231333041464 0.02228513467341 6.941 > 5 6 Li 0.55115666520732 0.44884333479268 0.02228513467341 6.941 > 6 7 Li 0.89768666958536 0.44884333479268 0.02228513467341 6.941 > 7 8 Li 0.52376602536925 0.47623397463075 0.25707081171236 6.941 > 8 9 Li 0.95246794926149 0.47623397463075 0.25707081171236 6.941 > 9 10 Li 0.52376602536925 0.04753205073851 0.25707081171236 6.941 > 10 11 Li 0.16291701837910 0.32583403675820 0.04257421310548 6.941 > 11 12 Li 0.16291701837910 0.83708298162090 0.04257421310548 6.941 > 12 13 Li 0.67416596324180 0.83708298162090 0.04257421310548 6.941 > 13 14 Li 0.00000000000000 0.00000000000000 0.10298021632205 6.941 > 14 15 Li 0.33333333333333 0.66666666666667 0.65398241731522 6.941 > 1 16 Li 0.45475081698212 0.54524918301788 0.47331234100888 6.941 > 2 17 Li 0.09049836603576 0.54524918301788 0.47331234100888 6.941 > 3 18 Li 0.45475081698212 0.90950163396424 0.47331234100888 6.941 > 4 19 Li 0.21782333187398 0.43564666374797 0.35561846800675 6.941 > 5 20 Li 0.21782333187398 0.78217666812602 0.35561846800675 6.941 > 6 21 Li 0.56435333625203 0.78217666812602 0.35561846800675 6.941 > 7 22 Li 0.19043269203592 0.80956730796408 0.59040414504569 6.941 > 8 23 Li 0.61913461592816 0.80956730796408 0.59040414504569 6.941 > 9 24 Li 0.19043269203592 0.38086538407184 0.59040414504569 6.941 > 10 25 Li 0.82958368504577 0.65916737009153 0.37590754643882 6.941 > 11 26 Li 0.82958368504577 0.17041631495423 0.37590754643882 6.941 > 12 27 Li 0.34083262990847 0.17041631495423 0.37590754643882 6.941 > 13 28 Li 0.66666666666667 0.33333333333333 0.43631354965538 6.941 > 14 29 Li 0.00000000000000 0.00000000000000 0.98731575064855 6.941 > 1 30 Li 0.12141748364879 0.87858251635121 0.80664567434221 6.941 > 2 31 Li 0.75716503270242 0.87858251635121 0.80664567434221 6.941 > 3 32 Li 0.12141748364879 0.24283496729758 0.80664567434221 6.941 > 4 33 Li 0.88448999854065 0.76897999708130 0.68895180134008 6.941 > 5 34 Li 0.88448999854065 0.11551000145935 0.68895180134008 6.941 > 6 35 Li 0.23102000291870 0.11551000145935 0.68895180134008 6.941 > 7 36 Li 0.85709935870259 0.14290064129741 0.92373747837903 6.941 > 8 37 Li 0.28580128259483 0.14290064129741 0.92373747837903 6.941 > 9 38 Li 0.85709935870259 0.71419871740517 0.92373747837903 6.941 > 10 39 Li 0.49625035171243 0.99250070342486 0.70924087977215 6.941 > 11 40 Li 0.49625035171243 0.50374964828757 0.70924087977215 6.941 > 12 41 Li 0.00749929657514 0.50374964828757 0.70924087977215 6.941 > 13 42 Li 0.33333333333333 0.66666666666667 0.76964688298871 6.941 > 14 43 I 0.33333333333333 0.66666666666667 0.16609671888974 126.904 > 43 44 I 0.00000000000000 0.00000000000000 0.26098901028344 126.904 > 44 45 I 0.00000000000000 0.00000000000000 0.49943005222307 126.904 > 43 46 I 0.66666666666667 0.33333333333333 0.59432234361678 126.904 > 44 47 I 0.66666666666667 0.33333333333333 0.83276338555641 126.904 > 43 48 I 0.33333333333333 0.66666666666667 0.92765567695011 126.904 > 44 49 N 0.66666666666667 0.33333333333333 0.20815936566096 14.007 > 49 50 N 0.30735134620015 0.15367567310007 0.03781779000938 14.007 > 50 51 N 0.84632432689993 0.15367567310007 0.03781779000938 14.007 > 51 52 N 0.84632432689993 0.69264865379985 0.03781779000938 14.007 > 52 53 N 0.33333333333333 0.66666666666667 0.54149269899429 14.007 > 49 54 N 0.97401801286681 0.48700900643341 0.37115112334271 14.007 > 50 55 N 0.51299099356659 0.48700900643341 0.37115112334271 14.007 > 51 56 N 0.51299099356659 0.02598198713319 0.37115112334271 14.007 > 52 57 N 0.00000000000000 0.00000000000000 0.87482603232763 14.007 > 49 58 N 0.64068467953348 0.82034233976674 0.70448445667604 14.007 > 50 59 N 0.17965766023326 0.82034233976674 0.70448445667604 14.007 > 51 60 N 0.17965766023326 0.35931532046652 0.70448445667604 14.007 > 52 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.2448434 -0.0000000 0.0000000 0.0000000 5.2448434 0.0000000 0.0000000 0.0000000 5.3212359 -------------------------- Born effective charges -------------------------- 1 Li 0.6599603 -0.0000000 -0.0000000 0.0000000 0.6599603 -0.0000000 -0.0000000 0.0000000 0.7060350 2 Li 0.9143708 -0.0640567 0.0776021 -0.0640567 0.8404046 -0.0448036 0.0308918 -0.0178354 0.9522884 3 Li 0.9143708 0.0640567 -0.0776021 0.0640567 0.8404046 -0.0448036 -0.0308918 -0.0178354 0.9522884 4 Li 0.8034214 0.0000000 0.0000000 0.0000000 0.9513540 0.0896072 -0.0000000 0.0356708 0.9522884 5 Li 0.8176400 0.0000000 0.0000000 -0.0000000 1.1032778 0.1449454 -0.0000000 0.1551218 0.9801355 6 Li 1.0318683 -0.1236848 0.1255264 -0.1236848 0.8890494 -0.0724727 0.1343394 -0.0775609 0.9801355 7 Li 1.0318683 0.1236848 -0.1255264 0.1236848 0.8890494 -0.0724727 -0.1343394 -0.0775609 0.9801355 8 Li 0.9651414 -0.1083387 0.0490685 -0.1083387 0.8400426 -0.0283297 0.0918205 -0.0530126 1.0091994 9 Li 0.9651414 0.1083387 -0.0490685 0.1083387 0.8400426 -0.0283297 -0.0918205 -0.0530126 1.0091994 10 Li 0.7774933 0.0000000 0.0000000 0.0000000 1.0276907 0.0566594 -0.0000000 0.1060251 1.0091994 11 Li 0.8749549 0.0000000 0.0000000 -0.0000000 1.0658584 0.0959975 -0.0000000 0.0610506 0.8478938 12 Li 1.0181326 -0.0826637 0.0831363 -0.0826637 0.9226808 -0.0479988 0.0528713 -0.0305253 0.8478938 13 Li 1.0181326 0.0826637 -0.0831363 0.0826637 0.9226808 -0.0479988 -0.0528713 -0.0305253 0.8478938 14 Li 0.8109110 -0.0000000 -0.0000000 -0.0000000 0.8109110 -0.0000000 -0.0000000 0.0000000 1.1415286 15 I -1.4136124 0.0000000 -0.0000000 0.0000000 -1.4136124 -0.0000000 -0.0000000 0.0000000 -1.7948670 16 I -1.4023949 0.0000000 -0.0000000 0.0000000 -1.4023949 -0.0000000 -0.0000000 0.0000000 -1.7995664 17 N -2.3043935 0.0000000 -0.0000000 0.0000000 -2.3043935 -0.0000000 -0.0000000 0.0000000 -2.7068237 18 N -2.5332896 -0.0674705 -0.0592850 -0.0674705 -2.4553813 -0.0342282 -0.0827448 -0.0477727 -2.3049526 19 N -2.5332896 0.0674705 0.0592850 0.0674705 -2.4553813 -0.0342282 0.0827448 -0.0477727 -2.3049526 20 N -2.4164272 -0.0000000 0.0000000 0.0000000 -2.5722437 0.0684564 -0.0000000 0.0955454 -2.3049526 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yyz) 0.00000000 (yyz) 0.00000000 (yzy) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 8 8 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.64, Number of G-points: 307, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/65) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 65 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 1.616 ( 0.000 0.000 0.000) 0.000 1.616 ( 0.000 0.000 -0.000) 0.000 1.964 ( 0.000 0.000 -0.000) 0.000 2.197 ( -0.000 -0.000 0.000) 0.000 2.197 ( 0.000 -0.000 0.000) 0.000 2.491 ( 0.000 -0.000 -0.000) 0.000 3.988 ( -0.000 -0.000 0.000) 0.000 3.988 ( 0.000 -0.000 0.000) 0.000 4.792 ( 0.000 -0.000 -0.000) 0.000 4.792 ( 0.000 0.000 0.000) 0.000 5.411 ( 0.000 -0.000 0.000) 0.000 6.182 ( -0.000 -0.000 0.000) 0.000 6.182 ( 0.000 0.000 0.000) 0.000 6.546 ( 0.000 0.000 -0.000) 0.000 6.659 ( -0.000 0.000 0.000) 0.000 6.659 ( 0.000 -0.000 0.000) 0.000 6.844 ( 0.000 0.000 -0.000) 0.000 7.612 ( 0.000 -0.000 0.000) 0.000 7.612 ( 0.000 0.000 0.000) 0.000 9.216 ( 0.000 0.000 0.000) 0.000 9.216 ( 0.000 0.000 -0.000) 0.000 9.475 ( 0.000 0.000 0.000) 0.000 9.995 ( 0.000 -0.000 0.000) 0.000 9.995 ( 0.000 0.000 -0.000) 0.000 10.603 ( -0.000 0.000 0.000) 0.000 10.603 ( 0.000 0.000 -0.000) 0.000 10.668 ( 0.000 0.000 0.000) 0.000 10.711 ( 0.000 0.000 0.000) 0.000 11.176 ( 0.000 -0.000 -0.000) 0.000 12.054 ( 0.000 0.000 -0.000) 0.000 12.054 ( 0.000 -0.000 0.000) 0.000 12.780 ( 0.000 -0.000 -0.000) 0.000 12.927 ( 0.000 -0.000 -0.000) 0.000 13.544 ( 0.000 -0.000 0.000) 0.000 13.821 ( 0.000 0.000 -0.000) 0.000 13.821 ( 0.000 0.000 0.000) 0.000 14.169 ( 0.000 0.000 0.000) 0.000 14.169 ( 0.000 -0.000 0.000) 0.000 14.379 ( 0.000 -0.000 -0.000) 0.000 14.954 ( -0.000 -0.000 -0.000) 0.000 14.954 ( 0.000 0.000 -0.000) 0.000 15.498 ( -0.000 0.000 -0.000) 0.000 15.523 ( 0.000 -0.000 -0.000) 0.000 15.523 ( 0.000 -0.000 -0.000) 0.000 15.911 ( 0.000 0.000 0.000) 0.000 15.911 ( 0.000 -0.000 -0.000) 0.000 16.305 ( 0.000 0.000 -0.000) 0.000 16.939 ( -0.000 -0.000 0.000) 0.000 17.477 ( -0.000 -0.000 -0.000) 0.000 17.477 ( 0.000 -0.000 0.000) 0.000 17.722 ( 0.000 -0.000 -0.000) 0.000 18.230 ( -0.000 -0.000 0.000) 0.000 18.230 ( 0.000 -0.000 0.000) 0.000 18.978 ( -0.000 0.000 -0.000) 0.000 18.978 ( 0.000 0.000 -0.000) 0.000 19.287 ( 0.000 0.000 0.000) 0.000 20.786 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 1 (2/65) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.632 ( 22.785 13.155 5.942) 26.973 0.641 ( 21.841 12.610 9.821) 27.065 1.030 ( 28.399 16.396 14.932) 36.032 1.615 ( -0.176 -0.102 0.134) 0.243 1.622 ( 0.505 0.291 -0.858) 1.038 1.996 ( 0.838 0.484 1.911) 2.142 2.265 ( 6.058 3.498 -0.380) 7.006 2.498 ( 6.899 3.983 -6.091) 10.028 3.054 ( 22.512 12.997 23.737) 35.202 3.952 ( -1.387 -0.801 -9.935) 10.063 4.042 ( 3.448 1.990 -3.797) 5.502 4.358 ( -22.750 -13.135 -9.590) 27.965 4.830 ( -3.311 -1.911 15.250) 15.722 5.497 ( 4.137 2.389 -16.965) 17.625 6.153 ( 0.369 0.213 -8.327) 8.338 6.274 ( -3.570 -2.061 -0.868) 4.212 6.478 ( -2.027 -1.170 1.871) 2.996 6.546 ( 1.404 0.811 22.840) 22.898 6.861 ( 12.044 6.954 0.073) 13.907 7.038 ( 5.924 3.420 8.613) 10.999 7.545 ( -7.452 -4.302 -3.464) 9.275 7.607 ( 1.214 0.701 -1.073) 1.765 9.178 ( -1.938 -1.119 -16.006) 16.162 9.252 ( 1.592 0.919 -0.192) 1.848 9.455 ( -3.135 -1.810 2.511) 4.406 9.957 ( -3.444 -1.989 0.353) 3.993 10.162 ( 1.626 0.938 18.414) 18.509 10.335 ( -11.432 -6.600 2.177) 13.379 10.652 ( -0.438 -0.253 -13.681) 13.691 10.968 ( 15.381 8.880 -1.411) 17.817 10.985 ( -5.602 -3.235 -0.687) 6.505 11.360 ( 6.852 3.956 1.417) 8.038 12.042 ( -0.228 -0.132 -1.651) 1.672 12.190 ( 0.798 0.460 -0.368) 0.992 12.823 ( -0.347 -0.200 6.962) 6.974 13.066 ( 10.619 6.131 -0.415) 12.269 13.446 ( -8.929 -5.155 2.564) 10.624 13.809 ( 0.011 0.006 -2.066) 2.066 13.926 ( 6.079 3.510 0.044) 7.019 14.127 ( -4.270 -2.465 3.023) 5.783 14.138 ( -1.852 -1.069 -1.209) 2.457 14.362 ( -9.785 -5.650 1.418) 11.388 14.987 ( 2.400 1.386 0.436) 2.805 15.131 ( -2.017 -1.165 9.916) 10.186 15.437 ( -6.349 -3.666 0.284) 7.337 15.554 ( 4.250 2.454 -1.228) 5.059 15.766 ( 2.565 1.481 -0.651) 3.033 15.906 ( -1.263 -0.729 -1.275) 1.937 16.167 ( -9.476 -5.471 -3.482) 11.482 16.851 ( -5.809 -3.354 -1.524) 6.879 17.245 ( 3.142 1.814 -7.244) 8.102 17.357 ( -7.568 -4.369 0.409) 8.748 17.548 ( 6.083 3.512 -5.869) 9.153 17.798 ( 4.069 2.349 0.077) 4.699 18.225 ( -0.239 -0.138 -0.482) 0.555 18.429 ( 2.880 1.663 -6.611) 7.400 19.018 ( 3.271 1.888 -0.009) 3.777 19.186 ( 5.940 3.430 -15.620) 17.060 19.641 ( -4.049 -2.338 24.754) 25.192 20.805 ( 0.285 0.165 3.006) 3.024 ======================= Grid point 2 (3/65) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( 11.745 6.781 5.977) 14.821 1.084 ( 13.396 7.734 3.476) 15.854 1.491 ( 8.270 4.775 3.808) 10.280 1.608 ( -0.513 -0.296 0.235) 0.637 1.646 ( 2.047 1.182 1.581) 2.844 2.015 ( 0.248 0.143 -0.761) 0.813 2.438 ( 7.371 4.256 -1.224) 8.599 2.643 ( 7.105 4.102 -2.407) 8.550 3.608 ( -14.909 -8.608 -19.713) 26.171 3.849 ( 19.936 11.510 13.007) 26.440 4.031 ( -3.582 -2.068 -1.264) 4.325 4.261 ( 23.680 13.672 9.734) 29.024 4.903 ( -1.679 -0.970 22.349) 22.433 5.335 ( -3.964 -2.289 -22.522) 22.982 6.089 ( -9.557 -5.517 7.984) 13.620 6.120 ( 2.023 1.168 -7.496) 7.851 6.483 ( 0.961 0.555 1.088) 1.554 6.779 ( -1.811 -1.046 13.013) 13.180 7.147 ( 13.436 7.757 -4.666) 16.201 7.280 ( 12.321 7.114 9.167) 16.925 7.299 ( -10.345 -5.973 -3.413) 12.424 7.706 ( 6.485 3.744 5.117) 9.069 8.982 ( -5.321 -3.072 -14.222) 15.492 9.182 ( -8.292 -4.787 -2.138) 9.810 9.400 ( -2.603 -1.503 1.721) 3.464 9.881 ( -0.790 -0.456 -3.405) 3.526 10.169 ( -6.393 -3.691 7.289) 10.374 10.319 ( 0.086 0.049 13.570) 13.571 10.459 ( -7.187 -4.149 -15.230) 17.344 10.899 ( -2.789 -1.610 7.155) 7.846 11.333 ( 16.795 9.697 -1.323) 19.439 11.542 ( 7.501 4.331 1.225) 8.748 12.042 ( 2.202 1.271 -2.517) 3.578 12.208 ( 0.325 0.188 4.681) 4.696 12.855 ( -2.279 -1.316 3.417) 4.313 13.263 ( 3.343 1.930 -3.293) 5.074 13.268 ( -5.798 -3.348 4.033) 7.816 13.855 ( 5.304 3.062 1.701) 6.357 13.972 ( -7.484 -4.321 -20.897) 22.614 14.051 ( -1.392 -0.803 1.601) 2.268 14.097 ( -4.222 -2.438 9.528) 10.703 14.158 ( 5.489 3.169 -4.286) 7.652 15.050 ( 2.059 1.189 1.119) 2.628 15.171 ( -1.427 -0.824 9.881) 10.017 15.290 ( -5.998 -3.463 0.958) 6.992 15.638 ( 3.804 2.196 -3.625) 5.695 15.786 ( -8.492 -4.903 -2.397) 10.095 15.821 ( 0.710 0.410 -0.859) 1.188 15.917 ( -7.380 -4.261 -0.957) 8.575 16.691 ( -6.647 -3.838 -1.543) 7.829 17.213 ( -4.584 -2.646 0.551) 5.321 17.253 ( 0.651 0.376 -2.998) 3.091 17.634 ( 4.310 2.488 -5.057) 7.095 17.864 ( 1.520 0.878 0.121) 1.759 18.214 ( -0.279 -0.161 -0.672) 0.746 18.449 ( 1.365 0.788 -2.114) 2.637 19.112 ( 4.405 2.543 -0.009) 5.087 19.228 ( 3.772 2.178 -4.669) 6.385 19.737 ( 1.087 0.627 10.830) 10.902 20.842 ( 0.827 0.478 3.189) 3.329 ======================= Grid point 3 (4/65) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.296 ( 4.927 2.844 2.898) 6.385 1.313 ( 5.805 3.352 0.919) 6.766 1.585 ( 1.524 0.880 -0.406) 1.806 1.596 ( -0.631 -0.364 0.382) 0.823 1.726 ( 2.008 1.159 2.932) 3.738 2.008 ( -0.063 -0.036 -0.843) 0.846 2.447 ( -4.184 -2.416 -7.515) 8.934 2.732 ( 2.318 1.338 -3.651) 4.527 3.335 ( -0.995 -0.574 -2.769) 2.998 3.982 ( 0.187 0.108 -4.080) 4.085 4.109 ( 5.644 3.259 3.762) 7.525 4.998 ( 15.924 9.194 -8.635) 20.314 5.092 ( -4.059 -2.343 -15.047) 15.760 5.102 ( 9.684 5.591 39.582) 41.132 5.977 ( -4.879 -2.817 6.575) 8.658 6.158 ( 4.034 2.329 0.467) 4.682 6.517 ( 1.917 1.107 -3.054) 3.771 6.713 ( -6.335 -3.657 5.693) 9.269 7.008 ( -9.341 -5.393 -7.142) 12.937 7.463 ( 14.287 8.248 -2.359) 16.665 7.567 ( 7.091 4.094 -0.032) 8.188 8.008 ( 13.886 8.017 12.558) 20.366 8.760 ( -6.439 -3.718 -7.891) 10.842 8.879 ( -14.477 -8.359 -4.253) 17.250 9.381 ( -0.684 -0.395 4.848) 4.912 9.869 ( 1.042 0.602 -3.559) 3.757 10.057 ( -13.288 -7.672 -15.666) 21.928 10.111 ( -3.051 -1.761 5.719) 6.717 10.406 ( -1.242 -0.717 5.697) 5.874 10.961 ( 2.424 1.399 7.548) 8.050 11.653 ( 9.389 5.421 -0.092) 10.842 11.685 ( 3.007 1.736 3.317) 4.802 12.154 ( 9.609 5.548 -1.576) 11.207 12.310 ( 4.991 2.882 5.643) 8.066 12.741 ( -5.542 -3.200 -0.131) 6.401 13.132 ( -9.889 -5.710 -3.735) 12.014 13.252 ( -4.363 -2.519 9.886) 11.096 13.562 ( -6.866 -3.964 -25.502) 26.706 13.885 ( -2.988 -1.725 3.053) 4.607 14.124 ( -0.704 -0.407 6.365) 6.417 14.285 ( 5.340 3.083 -1.523) 6.352 14.300 ( 18.851 10.884 -0.329) 21.770 15.076 ( -0.210 -0.121 0.296) 0.383 15.180 ( -6.342 -3.661 3.699) 8.204 15.192 ( -0.814 -0.470 4.150) 4.255 15.514 ( -10.998 -6.349 -3.805) 13.257 15.634 ( -2.828 -1.633 -1.845) 3.751 15.726 ( -1.813 -1.047 -1.013) 2.326 15.932 ( 2.495 1.440 0.889) 3.015 16.552 ( -4.047 -2.336 -1.055) 4.790 17.156 ( -1.029 -0.594 0.384) 1.249 17.234 ( -0.445 -0.257 -2.319) 2.375 17.676 ( 1.928 1.113 -2.707) 3.504 17.878 ( -0.057 -0.033 0.050) 0.082 18.205 ( -0.129 -0.074 -0.458) 0.481 18.461 ( 0.566 0.327 -0.662) 0.931 19.200 ( 2.954 1.705 -0.005) 3.411 19.280 ( 2.161 1.248 -1.063) 2.712 19.824 ( 1.405 0.811 4.600) 4.878 20.880 ( 0.697 0.402 2.131) 2.278 ======================= Grid point 4 (5/65) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( 0.000 0.000 0.000) 0.000 1.382 ( 0.000 0.000 0.000) 0.000 1.589 ( 0.000 0.000 0.000) 0.000 1.600 ( 0.000 0.000 0.000) 0.000 1.758 ( 0.000 0.000 0.000) 0.000 2.005 ( 0.000 0.000 0.000) 0.000 2.331 ( 0.000 0.000 0.000) 0.000 2.736 ( 0.000 0.000 -0.000) 0.000 3.350 ( 0.000 0.000 0.000) 0.000 3.972 ( 0.000 0.000 0.000) 0.000 4.196 ( 0.000 0.000 0.000) 0.000 4.986 ( 0.000 0.000 0.000) 0.000 5.095 ( 0.000 0.000 0.000) 0.000 5.416 ( 0.000 0.000 -0.000) 0.000 5.946 ( 0.000 0.000 0.000) 0.000 6.271 ( 0.000 0.000 -0.000) 0.000 6.504 ( 0.000 0.000 0.000) 0.000 6.651 ( 0.000 0.000 0.000) 0.000 6.844 ( 0.000 0.000 0.000) 0.000 7.638 ( 0.000 0.000 0.000) 0.000 7.667 ( 0.000 0.000 0.000) 0.000 8.354 ( 0.000 0.000 0.000) 0.000 8.567 ( 0.000 0.000 0.000) 0.000 8.637 ( 0.000 0.000 -0.000) 0.000 9.417 ( 0.000 0.000 -0.000) 0.000 9.782 ( 0.000 0.000 0.000) 0.000 9.867 ( 0.000 0.000 0.000) 0.000 10.098 ( 0.000 0.000 -0.000) 0.000 10.405 ( 0.000 0.000 0.000) 0.000 11.032 ( 0.000 0.000 0.000) 0.000 11.728 ( 0.000 0.000 -0.000) 0.000 11.749 ( 0.000 0.000 0.000) 0.000 12.335 ( 0.000 0.000 0.000) 0.000 12.406 ( 0.000 0.000 0.000) 0.000 12.707 ( 0.000 0.000 0.000) 0.000 12.938 ( -0.000 -0.000 0.000) 0.000 13.128 ( 0.000 0.000 0.000) 0.000 13.446 ( 0.000 0.000 0.000) 0.000 13.857 ( 0.000 0.000 0.000) 0.000 14.139 ( 0.000 0.000 0.000) 0.000 14.344 ( 0.000 0.000 -0.000) 0.000 14.631 ( 0.000 0.000 0.000) 0.000 15.017 ( 0.000 0.000 -0.000) 0.000 15.074 ( -0.000 -0.000 0.000) 0.000 15.198 ( 0.000 0.000 0.000) 0.000 15.371 ( 0.000 0.000 0.000) 0.000 15.582 ( 0.000 0.000 0.000) 0.000 15.708 ( 0.000 0.000 0.000) 0.000 15.967 ( 0.000 0.000 0.000) 0.000 16.502 ( 0.000 0.000 0.000) 0.000 17.149 ( 0.000 0.000 0.000) 0.000 17.217 ( 0.000 0.000 0.000) 0.000 17.689 ( 0.000 0.000 0.000) 0.000 17.875 ( 0.000 0.000 0.000) 0.000 18.202 ( 0.000 0.000 -0.000) 0.000 18.465 ( 0.000 0.000 0.000) 0.000 19.236 ( 0.000 0.000 0.000) 0.000 19.302 ( 0.000 0.000 -0.000) 0.000 19.857 ( 0.000 0.000 0.000) 0.000 20.897 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 10 (6/65) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.762 ( -0.000 21.046 14.102) 25.334 0.771 ( -0.000 22.738 12.993) 26.189 1.108 ( -0.000 22.887 21.914) 31.686 1.602 ( 0.000 -0.545 -0.895) 1.048 1.624 ( -0.000 0.889 -0.223) 0.916 2.035 ( -0.000 0.426 2.458) 2.495 2.368 ( -0.000 10.134 8.503) 13.229 2.452 ( 0.000 13.608 -6.781) 15.204 3.165 ( -0.000 13.325 30.352) 33.148 3.931 ( 0.000 2.831 -15.538) 15.794 3.941 ( 0.000 0.684 -7.596) 7.627 4.529 ( 0.000 -10.543 -8.532) 13.563 4.547 ( 0.000 -20.569 2.778) 20.756 5.534 ( 0.000 17.453 -12.833) 21.663 6.128 ( 0.000 -0.948 -7.347) 7.408 6.173 ( 0.000 -7.201 -1.969) 7.465 6.548 ( -0.000 -10.970 17.205) 20.405 6.724 ( -0.000 14.322 13.560) 19.723 6.918 ( -0.000 11.772 9.603) 15.192 7.052 ( -0.000 -1.127 8.999) 9.070 7.513 ( 0.000 -7.549 -5.350) 9.253 7.606 ( -0.000 3.328 -0.107) 3.330 9.009 ( 0.000 -3.193 -16.355) 16.664 9.276 ( 0.000 7.825 -8.709) 11.708 9.464 ( 0.000 -6.242 0.827) 6.297 10.077 ( -0.000 -6.321 13.099) 14.545 10.121 ( 0.000 -12.634 0.773) 12.657 10.420 ( -0.000 0.015 18.445) 18.445 10.535 ( 0.000 -3.676 -13.054) 13.561 10.936 ( -0.000 17.296 -4.109) 17.778 11.072 ( -0.000 3.435 0.818) 3.531 11.412 ( -0.000 9.429 2.010) 9.641 12.093 ( -0.000 2.109 3.168) 3.806 12.108 ( 0.000 0.286 -4.587) 4.596 12.834 ( -0.000 -3.911 4.168) 5.716 13.065 ( -0.000 12.415 -0.470) 12.424 13.487 ( -0.000 -11.462 7.387) 13.636 13.808 ( 0.000 -0.815 -3.461) 3.556 13.864 ( 0.000 2.989 -4.619) 5.502 14.078 ( 0.000 -4.980 -0.862) 5.054 14.180 ( -0.000 -4.011 4.728) 6.200 14.506 ( -0.000 -9.667 5.906) 11.328 14.910 ( 0.000 -1.320 -5.540) 5.696 15.088 ( -0.000 -8.418 5.095) 9.840 15.458 ( -0.000 -5.961 1.707) 6.200 15.547 ( 0.000 3.542 -1.075) 3.701 15.810 ( -0.000 4.797 1.370) 4.989 15.953 ( -0.000 -0.073 2.833) 2.834 16.152 ( 0.000 -8.047 -6.000) 10.038 16.819 ( 0.000 -7.541 -3.197) 8.191 17.119 ( 0.000 9.775 -12.588) 15.937 17.306 ( 0.000 -8.887 -4.295) 9.870 17.578 ( 0.000 9.205 -3.108) 9.716 17.771 ( 0.000 2.590 -2.041) 3.297 18.233 ( -0.000 -0.075 0.211) 0.224 18.372 ( 0.000 6.385 -7.471) 9.828 19.069 ( -0.000 5.430 4.372) 6.971 19.108 ( 0.000 8.943 -8.894) 12.613 19.774 ( -0.000 -11.076 19.383) 22.324 20.835 ( -0.000 -0.344 5.048) 5.060 ======================= Grid point 11 (7/65) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( 5.577 13.707 6.166) 16.031 1.103 ( 5.761 11.243 11.415) 17.026 1.446 ( 5.892 7.351 5.527) 10.922 1.604 ( 1.241 -0.308 -0.602) 1.413 1.638 ( 0.532 1.297 1.339) 1.938 2.032 ( -1.266 0.148 0.269) 1.303 2.487 ( -0.214 11.050 -2.847) 11.412 2.659 ( 5.990 10.740 7.508) 14.408 3.525 ( -2.204 -6.585 -2.442) 7.361 3.829 ( 2.648 15.574 5.252) 16.648 3.999 ( 4.768 0.611 -6.286) 7.913 4.202 ( -1.404 7.793 1.124) 7.998 4.752 ( 18.902 -10.040 9.013) 23.223 5.466 ( -12.570 10.368 -8.437) 18.349 5.967 ( -2.809 -7.781 -6.477) 10.506 6.234 ( 5.459 1.061 -1.902) 5.877 6.542 ( -3.605 -2.751 14.704) 15.387 6.935 ( -4.818 -0.944 13.625) 14.483 7.043 ( 5.416 8.935 -1.197) 10.516 7.210 ( 5.053 2.466 8.003) 9.781 7.372 ( -1.841 -0.683 -2.559) 3.226 7.701 ( 3.558 4.993 6.606) 9.013 8.872 ( -0.333 -4.300 -13.519) 14.190 9.235 ( -4.844 1.267 -9.052) 10.344 9.392 ( -0.295 -5.761 -0.831) 5.828 9.881 ( -2.716 -8.304 -6.157) 10.689 10.139 ( 1.782 -13.295 13.182) 18.807 10.346 ( -4.220 -3.909 -12.757) 13.993 10.621 ( -2.682 5.860 21.993) 22.918 11.039 ( -6.630 3.896 4.041) 8.687 11.201 ( 10.948 16.011 -3.204) 19.659 11.541 ( 2.144 11.418 1.887) 11.770 12.034 ( -1.582 0.533 -1.594) 2.309 12.202 ( 2.811 -0.739 4.829) 5.636 12.844 ( 2.151 -3.176 2.238) 4.441 13.215 ( 1.071 4.297 -1.719) 4.750 13.367 ( -4.246 -4.188 5.009) 7.789 13.781 ( 2.534 -2.117 -7.009) 7.748 13.855 ( 1.869 -2.662 -6.983) 7.704 14.057 ( -2.598 -4.224 -3.420) 6.024 14.113 ( 0.017 -0.538 3.857) 3.894 14.325 ( -11.296 3.309 1.721) 11.895 14.958 ( 6.080 -2.192 -4.566) 7.913 15.099 ( 7.939 -11.989 4.776) 15.151 15.359 ( -5.108 -3.753 1.042) 6.423 15.593 ( 2.013 1.263 -1.469) 2.794 15.720 ( -7.163 -0.769 1.700) 7.402 15.911 ( -3.308 -3.568 -2.161) 5.324 16.144 ( -1.587 6.164 -0.393) 6.377 16.692 ( -2.648 -8.597 -2.956) 9.468 16.951 ( -2.752 -10.704 -4.743) 12.027 17.412 ( 8.367 1.891 -4.234) 9.566 17.554 ( -5.175 6.239 -4.964) 9.505 17.824 ( 3.845 1.349 -2.455) 4.757 18.228 ( -0.535 0.544 -0.599) 0.970 18.409 ( 2.391 3.121 -3.825) 5.485 19.113 ( -0.471 5.121 0.520) 5.169 19.212 ( 2.857 7.114 0.303) 7.673 19.798 ( -0.431 -4.135 12.230) 12.918 20.870 ( -0.070 0.374 5.028) 5.043 ======================= Grid point 12 (8/65) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( 4.196 5.962 3.072) 7.911 1.318 ( 2.736 5.411 5.605) 8.258 1.552 ( 2.244 0.543 -0.145) 2.314 1.608 ( -0.303 0.205 -0.392) 0.536 1.703 ( 3.080 0.834 1.225) 3.418 2.010 ( -0.715 -0.654 -0.376) 1.039 2.446 ( -1.028 -4.329 -13.636) 14.343 2.899 ( -8.031 12.851 18.452) 23.877 3.362 ( 2.424 6.449 -5.291) 8.687 3.908 ( 0.014 -3.740 -4.773) 6.064 4.085 ( 4.787 5.666 4.184) 8.516 4.477 ( 16.174 0.372 -12.563) 20.483 5.157 ( 5.021 6.296 8.950) 12.039 5.358 ( -0.140 9.143 15.602) 18.084 5.831 ( 2.510 -11.885 -0.543) 12.159 6.309 ( -0.245 12.535 -6.837) 14.280 6.547 ( -3.823 -2.998 9.874) 11.004 6.869 ( -5.467 -3.689 7.217) 9.777 7.005 ( -5.995 -8.565 -4.249) 11.285 7.341 ( 7.553 8.996 1.670) 11.864 7.556 ( 4.848 14.959 -0.608) 15.737 7.926 ( 10.528 1.685 11.493) 15.676 8.714 ( -3.749 -5.880 -6.287) 9.389 9.004 ( -9.556 -5.427 -9.101) 14.269 9.349 ( 2.997 -5.407 -0.370) 6.193 9.785 ( 1.777 -2.630 -10.405) 10.878 10.052 ( -6.729 -7.347 1.627) 10.094 10.185 ( -0.790 -4.343 -2.768) 5.210 10.664 ( -14.702 5.209 16.401) 22.633 11.027 ( -2.099 2.036 8.584) 9.068 11.542 ( 11.314 11.378 -1.937) 16.162 11.721 ( 2.751 8.476 4.528) 9.996 12.065 ( 5.063 4.334 -1.173) 6.767 12.285 ( 4.332 1.137 6.131) 7.592 12.793 ( -5.111 -5.238 -1.041) 7.392 13.142 ( -1.270 -6.474 -2.426) 7.029 13.331 ( -2.247 -2.674 3.875) 5.217 13.497 ( -13.218 -7.289 -18.562) 23.925 13.936 ( 5.310 -8.491 -2.968) 10.445 14.002 ( 3.506 4.756 2.873) 6.570 14.236 ( 4.596 10.155 -1.795) 11.290 14.303 ( 0.950 6.744 6.133) 9.165 14.956 ( 2.938 -6.454 -3.152) 7.760 15.132 ( 5.234 -10.261 0.916) 11.556 15.277 ( -2.350 -0.212 -1.242) 2.667 15.576 ( -6.878 -3.104 2.799) 8.049 15.624 ( -0.285 -0.525 -0.674) 0.901 15.836 ( -1.908 -0.025 -1.936) 2.719 16.092 ( -13.254 9.586 2.652) 16.571 16.531 ( -1.786 -8.962 -2.935) 9.598 16.875 ( 9.865 -12.816 -3.465) 16.540 17.404 ( -6.847 5.173 -3.751) 9.365 17.583 ( 5.720 0.387 -2.927) 6.437 17.863 ( 1.651 0.629 -2.618) 3.158 18.220 ( -0.648 1.113 -1.002) 1.632 18.449 ( 1.473 1.982 -1.712) 3.005 19.167 ( 1.563 1.798 1.460) 2.794 19.323 ( 0.435 6.723 2.790) 7.292 19.839 ( 0.428 -1.477 5.908) 6.105 20.903 ( -0.375 0.484 3.747) 3.797 ======================= Grid point 13 (9/65) ======================= q-point: ( 0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.382 ( 0.674 2.066 2.054) 2.990 1.402 ( -0.230 3.005 1.565) 3.395 1.577 ( 0.959 -0.735 0.045) 1.209 1.602 ( -0.161 0.238 -0.228) 0.367 1.738 ( 1.126 -0.802 -1.684) 2.179 1.997 ( 0.438 -1.008 0.346) 1.153 2.331 ( 4.149 -3.457 -4.757) 7.197 2.911 ( -12.867 6.320 20.194) 24.765 3.526 ( -6.077 21.319 -4.109) 22.546 3.905 ( 8.105 -4.090 0.381) 9.086 4.202 ( 0.351 1.890 1.745) 2.596 4.589 ( 15.394 -9.495 -12.458) 21.962 5.083 ( -4.112 -4.631 -2.096) 6.538 5.583 ( -1.583 3.080 0.557) 3.508 5.840 ( 1.775 -7.777 5.854) 9.895 6.393 ( -5.165 9.955 -9.396) 14.631 6.501 ( 3.210 2.111 4.883) 6.213 6.773 ( -7.379 2.127 3.955) 8.638 6.871 ( -2.399 -6.390 10.728) 12.715 7.548 ( 5.522 4.390 -3.136) 7.720 7.760 ( 2.041 13.283 1.501) 13.522 8.158 ( 9.545 -8.157 2.606) 12.824 8.565 ( -3.858 -3.539 -0.160) 5.238 8.786 ( -5.398 4.200 -5.547) 8.806 9.370 ( 3.500 -4.327 -2.275) 6.013 9.647 ( -1.228 -7.840 -4.066) 8.917 9.958 ( -0.823 8.445 -5.982) 10.382 10.145 ( -0.770 -5.126 5.885) 7.842 10.550 ( -12.534 3.417 12.168) 17.800 11.060 ( -2.277 -1.805 5.550) 6.264 11.700 ( 1.618 1.741 -1.458) 2.789 11.818 ( -1.646 5.313 1.222) 5.694 12.256 ( 6.523 3.327 -0.737) 7.360 12.468 ( 4.355 10.812 -0.098) 11.656 12.661 ( 0.194 -4.801 -0.241) 4.811 12.981 ( -4.932 -4.279 -2.797) 7.103 13.089 ( -8.349 -5.782 -12.107) 15.802 13.392 ( 5.719 -6.166 11.808) 14.497 13.915 ( 1.896 -3.079 -1.859) 4.066 14.028 ( -0.130 -2.978 -0.864) 3.104 14.361 ( 1.259 2.480 1.873) 3.353 14.591 ( 10.917 13.771 -0.690) 17.587 14.921 ( 3.680 -6.476 -4.430) 8.666 15.087 ( -2.501 -5.773 0.338) 6.301 15.199 ( -2.022 -5.193 -1.368) 5.739 15.422 ( -8.911 7.159 -2.023) 11.608 15.670 ( 3.229 -2.356 5.435) 6.747 15.774 ( -5.767 4.671 -0.877) 7.473 15.996 ( -5.366 2.642 0.804) 6.035 16.448 ( 1.939 -6.130 -0.139) 6.431 16.917 ( 10.117 -11.133 -3.356) 15.413 17.329 ( -3.821 4.423 -2.357) 6.302 17.646 ( 3.031 -0.681 -0.752) 3.197 17.869 ( 0.708 0.662 -2.327) 2.521 18.217 ( -0.399 1.352 -0.690) 1.569 18.473 ( 0.143 1.700 -0.641) 1.822 19.208 ( 1.068 -0.983 1.831) 2.336 19.391 ( -2.539 5.645 3.794) 7.260 19.851 ( -0.244 -1.449 0.615) 1.593 20.913 ( -1.126 0.178 1.593) 1.959 ======================= Grid point 14 (10/65) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( -4.554 -0.515 1.029) 4.697 1.393 ( -4.377 0.898 0.229) 4.474 1.580 ( 0.423 -0.602 0.002) 0.736 1.603 ( -0.139 0.189 0.136) 0.271 1.713 ( -0.673 -1.255 -3.410) 3.695 2.006 ( 0.726 -0.716 1.080) 1.485 2.499 ( 11.066 5.082 7.164) 14.129 2.911 ( -10.565 4.089 21.466) 24.272 3.488 ( -12.076 14.411 -3.755) 19.173 4.013 ( 0.696 -1.296 8.264) 8.394 4.130 ( -4.777 -2.485 -7.016) 8.845 4.674 ( 12.957 -6.895 -21.707) 26.204 4.933 ( -2.731 -15.621 2.713) 16.089 5.471 ( -10.406 2.963 -6.096) 12.419 5.735 ( 3.937 -11.401 -3.699) 12.617 6.307 ( -3.938 11.866 -9.684) 15.814 6.645 ( -2.986 2.838 8.173) 9.153 6.732 ( -5.863 4.698 3.465) 8.274 6.940 ( 6.317 -1.525 12.601) 14.178 7.534 ( -4.405 -4.564 -4.765) 7.934 7.775 ( -11.153 3.391 2.803) 11.990 8.048 ( -9.188 -9.743 -7.090) 15.153 8.580 ( 9.890 -0.676 1.486) 10.024 8.874 ( 6.317 9.053 1.617) 11.156 9.322 ( 1.200 -0.811 -4.191) 4.434 9.698 ( 10.302 -2.557 -2.937) 11.013 10.086 ( 4.827 1.925 8.126) 9.646 10.136 ( 0.673 5.798 -0.532) 5.861 10.497 ( -7.821 3.316 12.319) 14.964 10.965 ( -5.657 -2.650 -4.332) 7.602 11.671 ( -1.156 -1.472 -4.438) 4.817 11.796 ( -6.459 2.804 -0.513) 7.060 12.226 ( -4.253 -5.277 -2.771) 7.322 12.409 ( -13.690 -0.589 -3.017) 14.031 12.677 ( 3.461 0.601 0.160) 3.517 13.015 ( 7.642 2.092 -0.894) 7.973 13.090 ( 12.367 3.536 -3.615) 13.361 13.578 ( 10.103 -3.231 18.378) 21.219 13.919 ( 1.018 0.604 -0.050) 1.185 13.979 ( 0.721 -3.488 -4.911) 6.066 14.362 ( -3.880 -0.244 1.828) 4.296 14.595 ( -17.739 -2.148 -0.606) 17.879 14.903 ( 6.408 -5.031 -7.115) 10.817 15.026 ( 4.833 -4.343 -2.088) 6.825 15.230 ( 4.627 5.850 -1.340) 7.579 15.411 ( -0.237 6.875 -1.250) 6.992 15.679 ( -0.622 -3.992 4.694) 6.194 15.818 ( -0.100 8.297 3.411) 8.971 15.973 ( -0.841 4.786 -0.625) 4.899 16.463 ( 5.201 -3.128 0.328) 6.078 16.922 ( 6.943 -13.765 -2.481) 15.615 17.346 ( 0.293 6.870 -0.926) 6.938 17.664 ( 1.090 -2.789 0.876) 3.120 17.875 ( 0.553 1.068 -1.605) 2.005 18.223 ( -0.237 1.564 -0.128) 1.587 18.480 ( -0.759 1.238 -0.072) 1.454 19.205 ( -0.838 -2.422 1.603) 3.023 19.401 ( -5.285 4.310 4.745) 8.308 19.804 ( -1.781 -2.401 -3.878) 4.897 20.891 ( -1.865 -0.182 -0.376) 1.911 ======================= Grid point 15 (11/65) ======================= q-point: (-0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( -10.721 -1.552 -0.405) 10.840 1.270 ( -10.335 -0.239 0.545) 10.352 1.554 ( -4.101 -1.813 -0.544) 4.517 1.608 ( -0.038 1.181 -0.212) 1.201 1.648 ( -1.649 -1.438 -2.402) 3.249 2.020 ( 0.610 -0.385 0.922) 1.171 2.664 ( -8.478 4.731 1.774) 9.870 2.932 ( -14.144 7.345 22.051) 27.207 3.483 ( 7.601 -1.048 5.346) 9.352 3.916 ( -6.516 -1.996 -12.546) 14.277 4.059 ( -1.576 -0.057 4.650) 4.910 4.364 ( -12.248 -7.617 -26.363) 30.051 4.752 ( -4.998 -12.030 1.217) 13.084 5.441 ( 2.882 4.452 6.051) 8.047 5.781 ( 12.798 -4.184 -3.205) 13.841 6.320 ( -3.382 12.738 -7.064) 14.954 6.583 ( -8.155 -3.480 11.677) 14.662 6.737 ( -2.323 4.170 -1.574) 5.026 7.126 ( 7.019 -4.031 3.622) 8.868 7.287 ( -8.269 -5.471 -4.609) 10.934 7.538 ( -21.208 1.259 -1.254) 21.283 7.755 ( -6.320 -3.034 -3.287) 7.743 8.848 ( 16.792 -1.146 4.095) 17.322 9.101 ( 9.146 5.125 0.132) 10.485 9.364 ( 2.591 2.268 0.968) 3.577 9.803 ( 8.445 -0.719 -6.015) 10.394 10.088 ( -1.698 -5.277 7.883) 9.637 10.295 ( 0.124 5.712 -8.774) 10.470 10.552 ( -0.167 3.674 17.855) 18.230 10.838 ( 0.034 2.154 -9.866) 10.098 11.567 ( -12.666 -1.968 -0.117) 12.818 11.642 ( -7.457 0.518 -1.791) 7.687 12.084 ( -1.970 -3.721 0.165) 4.213 12.190 ( -6.583 -2.303 -1.941) 7.239 12.778 ( 4.551 0.704 -1.632) 4.885 13.100 ( 8.047 -2.332 -2.284) 8.684 13.336 ( 5.001 6.135 2.025) 8.170 13.841 ( 8.348 -2.366 3.301) 9.284 13.905 ( -1.156 -3.318 -5.054) 6.155 14.017 ( 6.183 3.442 9.145) 11.563 14.205 ( -13.330 -1.050 -1.063) 13.414 14.312 ( -9.285 1.459 3.933) 10.189 14.917 ( 6.801 -4.865 -6.270) 10.452 15.066 ( 5.561 -2.611 -4.181) 7.431 15.288 ( -2.044 3.788 -0.263) 4.313 15.525 ( 8.558 -0.496 -0.568) 8.591 15.687 ( -0.001 -1.333 3.460) 3.708 15.866 ( 1.176 -0.507 0.695) 1.457 16.098 ( -1.416 17.626 3.108) 17.954 16.572 ( 8.691 -0.286 -0.406) 8.705 16.882 ( 9.224 -15.216 -1.750) 17.879 17.429 ( -0.213 8.810 -0.935) 8.862 17.646 ( 0.176 -4.852 2.318) 5.381 17.878 ( -0.606 0.621 -0.910) 1.257 18.234 ( -0.386 1.383 0.251) 1.458 18.473 ( -0.990 0.452 0.304) 1.130 19.158 ( -2.969 -1.954 0.973) 3.685 19.373 ( -6.231 2.968 6.338) 9.370 19.691 ( -3.438 -2.953 -7.293) 8.587 20.848 ( -2.009 -0.253 -1.073) 2.291 ======================= Grid point 16 (12/65) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( -20.793 -0.000 0.000) 20.793 1.028 ( -19.325 -0.000 0.000) 19.325 1.340 ( -18.403 -0.000 0.000) 18.403 1.612 ( 0.022 0.000 -0.000) 0.022 1.627 ( -0.030 -0.000 0.000) 0.030 2.020 ( -1.071 -0.000 0.000) 1.071 2.464 ( -13.964 -0.000 0.000) 13.964 2.722 ( -18.574 -0.000 0.000) 18.574 3.354 ( -26.382 -0.000 0.000) 26.382 3.951 ( 11.007 0.000 -0.000) 11.007 4.085 ( 2.020 0.000 -0.000) 2.020 4.123 ( 4.267 0.000 -0.000) 4.267 4.630 ( 2.242 0.000 -0.000) 2.242 5.580 ( 4.493 0.000 -0.000) 4.493 6.033 ( 17.898 0.000 -0.000) 17.898 6.323 ( -2.670 -0.000 0.000) 2.670 6.450 ( -10.793 -0.000 0.000) 10.793 6.625 ( -8.736 -0.000 0.000) 8.736 7.048 ( -3.952 -0.000 0.000) 3.952 7.113 ( -16.498 -0.000 0.000) 16.498 7.411 ( 8.166 0.000 -0.000) 8.166 7.656 ( -3.663 -0.000 0.000) 3.663 9.117 ( 11.146 0.000 -0.000) 11.146 9.246 ( 4.217 0.000 -0.000) 4.217 9.416 ( 1.595 0.000 -0.000) 1.595 9.936 ( 7.971 0.000 -0.000) 7.971 10.062 ( -0.819 -0.000 0.000) 0.819 10.224 ( -0.753 -0.000 0.000) 0.753 10.667 ( 2.519 0.000 -0.000) 2.519 10.901 ( 7.049 0.000 -0.000) 7.049 11.243 ( -19.288 -0.000 0.000) 19.288 11.509 ( -9.573 -0.000 0.000) 9.573 12.081 ( -2.892 -0.000 0.000) 2.892 12.124 ( 4.746 0.000 -0.000) 4.746 12.791 ( -0.227 -0.000 0.000) 0.227 13.228 ( -0.502 -0.000 0.000) 0.502 13.328 ( -0.927 -0.000 0.000) 0.927 13.838 ( -1.692 -0.000 0.000) 1.692 13.934 ( 4.088 0.000 -0.000) 4.088 14.037 ( -0.596 -0.000 0.000) 0.596 14.151 ( -2.185 -0.000 0.000) 2.185 14.323 ( 4.938 0.000 -0.000) 4.938 14.973 ( 5.075 0.000 -0.000) 5.075 15.056 ( -2.339 -0.000 0.000) 2.339 15.341 ( 6.252 0.000 -0.000) 6.252 15.610 ( -0.506 -0.000 0.000) 0.506 15.688 ( 2.858 0.000 -0.000) 2.858 15.933 ( 4.826 0.000 -0.000) 4.826 16.169 ( -3.052 -0.000 0.000) 3.052 16.725 ( 9.454 0.000 -0.000) 9.454 17.000 ( 14.216 0.000 -0.000) 14.216 17.458 ( -2.387 -0.000 0.000) 2.387 17.612 ( -2.261 -0.000 0.000) 2.261 17.848 ( -2.716 -0.000 0.000) 2.716 18.235 ( -0.505 -0.000 0.000) 0.505 18.462 ( -0.646 -0.000 0.000) 0.646 19.086 ( -4.432 -0.000 0.000) 4.432 19.338 ( -3.665 -0.000 0.000) 3.665 19.556 ( -4.786 -0.000 0.000) 4.786 20.811 ( -1.463 -0.000 0.000) 1.463 ======================= Grid point 19 (13/65) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.192 ( -0.000 9.865 5.217) 11.159 1.210 ( -0.000 8.827 6.705) 11.085 1.499 ( -0.000 4.580 1.756) 4.905 1.573 ( 0.000 -1.029 -1.041) 1.464 1.662 ( -0.000 1.168 2.114) 2.415 2.033 ( 0.000 -0.792 -2.200) 2.339 2.481 ( 0.000 -3.841 -17.781) 18.191 2.651 ( -0.000 3.054 0.533) 3.101 3.669 ( -0.000 10.229 9.209) 13.764 3.774 ( 0.000 -5.730 -4.201) 7.105 4.216 ( -0.000 25.745 -3.265) 25.951 4.394 ( -0.000 4.541 6.373) 7.825 4.496 ( -0.000 10.226 25.144) 27.144 5.587 ( 0.000 4.755 -13.086) 13.923 5.972 ( 0.000 -7.832 -2.985) 8.381 6.067 ( -0.000 -3.255 6.158) 6.965 6.666 ( -0.000 1.608 8.463) 8.614 6.957 ( 0.000 -9.616 0.442) 9.626 7.098 ( -0.000 4.787 2.793) 5.542 7.248 ( -0.000 -2.225 3.293) 3.974 7.457 ( -0.000 17.713 10.440) 20.561 7.764 ( -0.000 2.442 7.852) 8.223 8.763 ( 0.000 -1.279 -9.994) 10.076 9.216 ( 0.000 -3.699 -10.996) 11.601 9.327 ( 0.000 -4.905 -1.430) 5.109 9.642 ( 0.000 -19.853 -11.574) 22.980 10.123 ( -0.000 -8.282 6.233) 10.365 10.278 ( 0.000 -2.729 -3.727) 4.619 10.868 ( -0.000 6.852 22.591) 23.607 11.187 ( -0.000 4.696 4.121) 6.248 11.243 ( -0.000 17.902 -2.020) 18.016 11.673 ( -0.000 13.499 -0.207) 13.500 12.037 ( -0.000 -3.611 1.485) 3.904 12.238 ( -0.000 5.193 7.052) 8.758 12.798 ( 0.000 -3.589 0.357) 3.607 13.257 ( 0.000 2.923 -3.749) 4.754 13.366 ( -0.000 -11.356 7.399) 13.554 13.689 ( 0.000 3.809 -8.284) 9.118 13.754 ( 0.000 -7.672 -4.234) 8.763 14.077 ( 0.000 -5.614 -5.307) 7.725 14.083 ( -0.000 4.360 1.608) 4.646 14.502 ( -0.000 6.115 -1.270) 6.246 14.749 ( 0.000 -5.740 -5.155) 7.715 14.980 ( -0.000 -8.955 5.248) 10.379 15.370 ( -0.000 -5.407 1.648) 5.653 15.570 ( 0.000 2.285 -3.904) 4.524 15.814 ( 0.000 -3.116 -5.794) 6.579 15.901 ( 0.000 -9.474 1.475) 9.588 16.054 ( -0.000 3.703 1.656) 4.056 16.607 ( 0.000 -9.687 -0.190) 9.689 17.120 ( 0.000 2.492 -5.688) 6.210 17.125 ( 0.000 -2.471 -3.252) 4.084 17.692 ( 0.000 6.885 -3.965) 7.945 17.733 ( 0.000 -1.774 -3.823) 4.214 18.224 ( 0.000 -0.811 -0.220) 0.840 18.397 ( 0.000 3.577 -3.226) 4.817 19.178 ( 0.000 6.750 -3.904) 7.798 19.276 ( -0.000 7.208 5.519) 9.079 19.844 ( -0.000 -4.084 11.464) 12.170 20.913 ( -0.000 0.409 5.424) 5.440 ======================= Grid point 20 (14/65) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( 1.660 5.589 2.919) 6.521 1.353 ( 3.134 4.517 4.099) 6.858 1.530 ( 0.693 1.062 -0.979) 1.602 1.584 ( 2.297 -0.441 -1.278) 2.666 1.681 ( 0.510 0.123 0.570) 0.775 1.993 ( -0.123 -2.066 -4.842) 5.265 2.235 ( -0.073 -11.735 -18.416) 21.837 2.829 ( 24.783 -5.854 -7.740) 26.615 3.544 ( -16.432 3.320 12.299) 20.792 3.990 ( 3.639 14.008 2.454) 14.680 4.252 ( -9.790 14.091 1.236) 17.203 4.394 ( -4.596 13.057 3.858) 14.370 5.144 ( 14.681 8.677 19.420) 25.844 5.497 ( -1.620 3.294 -3.810) 5.290 5.770 ( -5.962 -4.814 2.909) 8.197 6.221 ( 10.278 -3.995 1.234) 11.096 6.684 ( -4.867 5.082 -0.563) 7.059 6.864 ( -1.397 -6.256 2.544) 6.897 7.034 ( -3.538 -8.927 0.558) 9.619 7.374 ( 4.450 12.491 3.358) 13.679 7.709 ( -1.158 16.624 6.643) 17.939 7.863 ( 4.979 -0.610 8.235) 9.642 8.696 ( -1.589 -0.732 -3.808) 4.191 8.994 ( -7.345 -9.704 -11.798) 16.950 9.212 ( 0.947 -9.999 -2.681) 10.396 9.528 ( 10.786 -10.462 -10.391) 18.269 10.049 ( 1.085 -8.019 -3.348) 8.757 10.226 ( -6.729 1.724 5.193) 8.673 11.046 ( -5.500 5.784 18.563) 20.207 11.194 ( -7.253 5.521 2.861) 9.554 11.483 ( 8.233 13.675 -0.592) 15.973 11.793 ( 1.404 6.620 3.201) 7.486 12.051 ( 1.902 4.599 1.782) 5.287 12.328 ( -1.643 3.507 8.224) 9.090 12.773 ( 0.871 -5.091 -0.675) 5.208 13.089 ( -6.109 -7.331 -6.782) 11.707 13.340 ( 0.019 -9.518 4.383) 10.479 13.557 ( -8.439 -2.372 -10.076) 13.356 13.728 ( 1.352 -6.349 -4.337) 7.807 13.978 ( 4.033 3.040 -5.422) 7.410 14.237 ( 6.744 9.946 0.725) 12.038 14.465 ( -6.741 5.749 3.073) 9.377 14.813 ( 9.134 -3.787 -4.687) 10.943 14.930 ( 1.361 -7.594 3.168) 8.340 15.298 ( -2.639 -3.895 -0.515) 4.733 15.554 ( 0.324 -3.833 1.289) 4.056 15.693 ( -2.675 -1.008 -3.167) 4.267 15.859 ( 0.589 -1.127 -1.346) 1.851 16.164 ( 7.828 -5.582 -0.605) 9.633 16.498 ( -5.103 -6.137 1.993) 8.227 16.807 ( -13.442 1.513 -3.647) 14.010 17.338 ( 10.012 -2.053 -4.196) 11.048 17.599 ( -4.872 2.519 -2.473) 6.016 17.794 ( 4.029 0.856 -3.836) 5.628 18.218 ( 0.372 -0.434 -0.732) 0.929 18.427 ( 1.833 2.421 -1.927) 3.596 19.203 ( -1.061 4.434 -0.873) 4.642 19.400 ( 1.529 6.620 4.120) 7.946 19.873 ( -0.971 -2.226 7.641) 8.018 20.948 ( -0.667 0.462 4.299) 4.375 ======================= Grid point 21 (15/65) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.403 ( 1.765 3.083 1.814) 3.989 1.447 ( 0.748 3.147 1.968) 3.786 1.548 ( 1.455 -0.666 0.120) 1.605 1.598 ( 0.634 -0.389 -0.518) 0.906 1.690 ( 1.413 -1.180 -2.386) 3.014 1.942 ( 4.571 -3.172 -6.794) 8.782 2.095 ( 4.995 -6.690 -6.496) 10.578 3.211 ( 32.745 -12.755 -9.101) 36.301 3.430 ( -14.529 9.283 17.841) 24.811 4.102 ( -10.216 23.478 -1.972) 25.680 4.281 ( -2.521 8.878 1.621) 9.370 4.464 ( -6.547 7.152 7.194) 12.074 5.096 ( -7.800 -13.767 2.001) 15.949 5.528 ( 0.769 -3.709 -5.575) 6.739 5.875 ( -0.881 4.689 5.620) 7.372 6.335 ( 8.688 -3.494 -2.569) 9.710 6.591 ( -6.171 3.535 -1.444) 7.257 6.839 ( 1.284 -1.267 3.169) 3.646 6.940 ( -1.584 -3.059 5.394) 6.400 7.574 ( 0.131 9.492 2.451) 9.804 7.836 ( 1.888 0.430 5.393) 5.730 8.045 ( 5.066 11.903 0.718) 12.956 8.601 ( -5.113 -5.068 -0.439) 7.213 8.774 ( 0.561 -2.139 -7.105) 7.441 9.186 ( 7.226 -7.730 -2.724) 10.926 9.532 ( 5.681 -6.861 -6.508) 11.032 9.982 ( 0.671 -4.026 -0.650) 4.133 10.174 ( -4.940 4.300 2.057) 6.865 10.963 ( -17.363 3.259 9.560) 20.087 11.175 ( -5.872 1.274 10.780) 12.342 11.692 ( 2.540 6.123 -2.182) 6.979 11.862 ( 1.702 -0.607 1.354) 2.258 12.227 ( 3.354 8.043 1.146) 8.790 12.431 ( 7.350 7.523 0.730) 10.543 12.658 ( -3.999 -1.785 -2.752) 5.172 12.931 ( -1.359 -5.164 -4.752) 7.148 13.217 ( -15.006 -5.676 -7.614) 17.759 13.312 ( 2.224 -7.582 8.380) 11.518 13.688 ( 6.958 -9.142 -2.198) 11.697 14.053 ( 2.566 -0.012 -3.294) 4.175 14.404 ( -0.852 6.121 0.321) 6.189 14.555 ( 6.025 10.611 1.160) 12.258 14.811 ( 0.597 -3.381 -1.952) 3.949 14.987 ( 7.400 -0.554 -1.353) 7.543 15.212 ( -2.234 -2.049 -1.124) 3.233 15.556 ( 0.336 -4.590 1.124) 4.737 15.643 ( -0.804 0.370 2.189) 2.361 15.834 ( -2.846 2.083 -2.320) 4.221 16.142 ( -1.898 -8.243 -1.703) 8.629 16.372 ( -3.402 -1.785 4.018) 5.559 16.689 ( 0.938 -1.207 -4.492) 4.745 17.357 ( 0.368 -2.172 -2.974) 3.701 17.601 ( 1.892 1.811 -0.317) 2.638 17.826 ( 2.298 0.252 -3.047) 3.825 18.218 ( 0.447 0.170 -0.837) 0.964 18.470 ( 1.698 1.740 -0.990) 2.625 19.219 ( -0.684 1.475 0.880) 1.848 19.503 ( 0.036 5.377 3.715) 6.536 19.864 ( -2.182 -1.742 2.659) 3.856 20.955 ( -1.638 0.265 2.296) 2.832 ======================= Grid point 22 (16/65) ======================= q-point: (-0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( -2.239 0.606 1.151) 2.590 1.472 ( -2.302 2.383 0.596) 3.367 1.559 ( 1.056 -1.289 0.130) 1.672 1.601 ( 0.351 -0.034 0.002) 0.352 1.680 ( 0.894 -0.856 -2.342) 2.649 1.986 ( 2.032 -0.304 0.131) 2.059 2.223 ( 19.617 -1.852 -1.414) 19.755 3.337 ( -8.408 2.849 14.761) 17.225 3.611 ( 14.240 0.104 -2.029) 14.384 4.107 ( -7.646 9.446 -5.832) 13.480 4.264 ( -12.943 5.129 -0.380) 13.927 4.435 ( -2.478 8.329 4.236) 9.667 4.863 ( -5.161 -16.721 2.888) 17.736 5.449 ( 0.097 -4.281 -6.913) 8.132 5.669 ( -9.682 -5.691 -7.972) 13.773 6.362 ( 0.684 3.534 -4.565) 5.814 6.702 ( 5.643 3.849 3.914) 7.873 6.877 ( -2.544 3.998 1.416) 4.945 6.966 ( 2.233 -3.825 10.164) 11.087 7.572 ( -7.100 2.295 -2.662) 7.922 7.835 ( 0.616 -7.619 1.734) 7.838 8.181 ( -6.594 9.832 1.128) 11.892 8.514 ( -0.490 -0.847 -1.894) 2.132 8.804 ( 5.782 0.470 -1.887) 6.100 9.223 ( 6.167 -3.627 -2.471) 7.569 9.547 ( 4.949 -0.893 -0.558) 5.060 10.016 ( 5.982 -1.647 2.062) 6.538 10.173 ( -1.161 4.917 -1.013) 5.152 10.791 ( -10.376 0.684 8.332) 13.325 11.103 ( -12.163 1.228 7.273) 14.225 11.628 ( -3.177 -2.828 -8.479) 9.487 11.894 ( -1.254 1.160 0.343) 1.742 12.218 ( -0.289 -0.205 -2.692) 2.715 12.583 ( -7.571 -0.144 -0.968) 7.634 12.750 ( -1.939 10.933 -1.032) 11.151 12.867 ( 3.876 -4.159 -1.049) 5.781 12.934 ( 5.025 0.776 -0.719) 5.135 13.405 ( 10.898 -9.326 5.809) 15.475 13.767 ( 8.694 -3.398 3.905) 10.118 14.026 ( -2.182 0.211 -3.166) 3.851 14.440 ( -1.696 4.334 0.523) 4.683 14.646 ( 2.290 -3.338 -3.569) 5.396 14.799 ( 0.889 -1.664 -1.264) 2.271 15.030 ( -5.887 -0.408 -1.088) 6.001 15.231 ( 0.367 8.712 0.224) 8.723 15.490 ( 0.611 1.404 -2.642) 3.053 15.655 ( -0.838 -6.266 5.751) 8.547 15.828 ( 2.596 0.981 -1.407) 3.112 16.051 ( -1.356 3.199 -0.384) 3.496 16.374 ( 1.980 -2.443 2.693) 4.140 16.683 ( 4.559 -5.785 -3.661) 8.225 17.349 ( 2.012 0.726 -0.949) 2.340 17.635 ( 0.818 -0.265 0.146) 0.872 17.849 ( 1.950 0.345 -1.466) 2.463 18.226 ( 0.673 0.432 -0.392) 0.891 18.498 ( 0.262 1.096 -0.361) 1.183 19.217 ( -0.995 -0.304 0.932) 1.396 19.554 ( -2.655 3.817 3.823) 6.019 19.799 ( -3.334 -2.165 -1.638) 4.299 20.930 ( -2.475 0.014 0.520) 2.529 ======================= Grid point 23 (17/65) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.367 ( -5.980 -0.000 0.000) 5.980 1.409 ( -6.017 -0.000 0.000) 6.017 1.570 ( 0.396 0.000 -0.000) 0.396 1.612 ( 0.669 0.000 -0.000) 0.669 1.663 ( -1.560 -0.000 0.000) 1.560 2.006 ( 0.970 0.000 -0.000) 0.970 2.596 ( 19.436 0.000 -0.000) 19.436 3.257 ( -10.029 -0.000 0.000) 10.029 3.677 ( -13.242 -0.000 0.000) 13.242 3.902 ( -5.879 -0.000 0.000) 5.879 4.169 ( -6.275 -0.000 0.000) 6.275 4.364 ( -9.281 -0.000 0.000) 9.281 4.728 ( 1.882 0.000 -0.000) 1.882 5.414 ( 2.708 0.000 -0.000) 2.708 5.588 ( 4.804 0.000 -0.000) 4.804 6.379 ( -0.101 -0.000 0.000) 0.101 6.751 ( -7.139 -0.000 0.000) 7.139 6.827 ( -1.550 -0.000 0.000) 1.550 7.060 ( 3.134 0.000 -0.000) 3.134 7.376 ( -10.941 -0.000 0.000) 10.941 7.789 ( -2.857 -0.000 0.000) 2.857 7.958 ( -22.388 -0.000 0.000) 22.388 8.584 ( 11.562 0.000 -0.000) 11.562 8.948 ( 10.187 0.000 -0.000) 10.187 9.315 ( 5.781 0.000 -0.000) 5.781 9.642 ( 6.509 0.000 -0.000) 6.509 10.104 ( 1.532 0.000 -0.000) 1.532 10.234 ( 5.856 0.000 -0.000) 5.856 10.727 ( -4.048 -0.000 0.000) 4.048 10.883 ( -12.869 -0.000 0.000) 12.869 11.578 ( 2.989 0.000 -0.000) 2.989 11.821 ( -8.088 -0.000 0.000) 8.088 12.153 ( -7.977 -0.000 0.000) 7.977 12.352 ( -12.962 -0.000 0.000) 12.962 12.701 ( 2.657 0.000 -0.000) 2.657 12.961 ( 5.493 0.000 -0.000) 5.493 13.208 ( 14.014 0.000 -0.000) 14.014 13.603 ( 14.988 0.000 -0.000) 14.988 13.918 ( 4.896 0.000 -0.000) 4.896 13.968 ( -0.817 -0.000 0.000) 0.817 14.390 ( -7.262 -0.000 0.000) 7.262 14.571 ( -13.785 -0.000 0.000) 13.785 14.753 ( 2.922 0.000 -0.000) 2.922 14.946 ( 2.620 0.000 -0.000) 2.620 15.303 ( 3.056 0.000 -0.000) 3.056 15.496 ( -3.125 -0.000 0.000) 3.125 15.660 ( 3.226 0.000 -0.000) 3.226 15.859 ( 0.532 0.000 -0.000) 0.532 16.149 ( 6.727 0.000 -0.000) 6.727 16.436 ( 5.678 0.000 -0.000) 5.678 16.683 ( 2.972 0.000 -0.000) 2.972 17.419 ( 4.549 0.000 -0.000) 4.549 17.631 ( -0.551 -0.000 0.000) 0.551 17.874 ( 1.048 0.000 -0.000) 1.048 18.240 ( 0.539 0.000 -0.000) 0.539 18.495 ( -0.944 -0.000 0.000) 0.944 19.193 ( -1.832 -0.000 0.000) 1.832 19.524 ( -5.451 -0.000 0.000) 5.451 19.709 ( -3.798 -0.000 0.000) 3.798 20.885 ( -2.662 -0.000 0.000) 2.662 ======================= Grid point 28 (18/65) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( -0.000 0.784 0.141) 0.796 1.364 ( -0.000 3.443 1.414) 3.722 1.533 ( 0.000 -1.083 -1.043) 1.504 1.533 ( 0.000 1.744 -2.748) 3.255 1.670 ( 0.000 -2.062 -1.602) 2.611 1.858 ( 0.000 -8.135 -15.022) 17.084 2.074 ( 0.000 -4.745 -3.910) 6.148 2.398 ( 0.000 -12.513 -11.429) 16.947 3.774 ( -0.000 2.795 3.799) 4.716 4.130 ( -0.000 10.665 8.842) 13.854 4.434 ( -0.000 19.011 -1.839) 19.099 4.803 ( -0.000 18.544 9.717) 20.935 5.190 ( -0.000 1.457 14.967) 15.038 5.457 ( 0.000 -1.229 -5.341) 5.481 5.918 ( -0.000 7.306 8.046) 10.868 6.021 ( -0.000 -11.003 3.502) 11.547 6.762 ( 0.000 6.088 -6.143) 8.649 6.877 ( -0.000 -2.603 6.753) 7.238 6.961 ( 0.000 -8.757 -0.778) 8.791 7.461 ( -0.000 11.049 1.708) 11.180 7.825 ( -0.000 -4.961 5.244) 7.219 7.977 ( -0.000 18.027 7.388) 19.482 8.694 ( 0.000 1.607 -1.825) 2.432 8.879 ( 0.000 -9.951 -12.086) 15.656 9.124 ( 0.000 -13.807 -10.737) 17.491 9.169 ( 0.000 -10.934 0.078) 10.935 9.945 ( 0.000 -4.521 -3.671) 5.824 10.351 ( -0.000 1.492 5.873) 6.059 11.247 ( -0.000 8.093 9.590) 12.548 11.338 ( -0.000 5.844 0.064) 5.845 11.537 ( -0.000 9.272 2.429) 9.585 11.846 ( -0.000 0.597 4.947) 4.983 12.118 ( -0.000 8.482 3.498) 9.175 12.478 ( -0.000 5.166 10.193) 11.428 12.681 ( 0.000 -7.669 -0.651) 7.697 13.064 ( 0.000 -7.515 -6.595) 9.999 13.197 ( 0.000 -9.352 -3.770) 10.083 13.555 ( -0.000 -7.622 3.718) 8.481 13.721 ( 0.000 4.306 -8.126) 9.196 13.860 ( 0.000 -3.687 -10.832) 11.443 14.264 ( -0.000 11.491 -1.093) 11.543 14.633 ( -0.000 5.866 0.595) 5.896 14.640 ( -0.000 0.558 1.386) 1.494 14.917 ( -0.000 -3.766 3.922) 5.437 15.265 ( 0.000 -7.937 1.065) 8.008 15.543 ( 0.000 0.531 -2.622) 2.675 15.646 ( 0.000 -13.306 -1.486) 13.389 15.733 ( 0.000 2.207 -3.458) 4.103 16.070 ( 0.000 -4.376 -1.721) 4.702 16.533 ( -0.000 -1.116 6.379) 6.476 17.046 ( 0.000 -1.061 -6.271) 6.360 17.116 ( -0.000 2.983 -0.560) 3.035 17.621 ( 0.000 -3.496 -3.284) 4.797 17.746 ( 0.000 3.380 -2.464) 4.183 18.202 ( 0.000 -0.815 -0.293) 0.866 18.418 ( 0.000 1.757 -1.387) 2.238 19.250 ( 0.000 4.093 -1.697) 4.431 19.467 ( -0.000 4.730 3.524) 5.898 19.918 ( -0.000 -1.424 6.290) 6.449 20.987 ( -0.000 0.382 3.433) 3.454 ======================= Grid point 29 (19/65) ======================= q-point: ( 0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.373 ( 5.112 -0.769 -2.332) 5.671 1.436 ( 4.234 0.879 0.282) 4.334 1.525 ( 0.507 0.924 -0.740) 1.288 1.557 ( 2.102 -0.460 -0.941) 2.349 1.623 ( 1.146 -3.294 -3.900) 5.232 1.749 ( 1.915 -2.376 -4.671) 5.579 2.029 ( -0.385 -1.465 -0.263) 1.538 2.472 ( 27.063 -8.715 -7.437) 29.389 3.759 ( -6.983 2.954 5.064) 9.118 4.249 ( 1.865 2.646 1.526) 3.579 4.566 ( -10.103 22.046 0.311) 24.253 4.900 ( -11.742 13.395 8.674) 19.812 5.094 ( -7.031 -16.215 2.589) 17.862 5.466 ( 0.604 0.394 -2.160) 2.277 5.998 ( 2.931 -0.629 0.622) 3.061 6.101 ( 4.707 0.863 4.905) 6.853 6.725 ( -7.917 -0.840 0.742) 7.996 6.823 ( 0.639 -0.277 -0.303) 0.759 6.933 ( 0.838 -1.378 -0.086) 1.615 7.641 ( 6.103 7.400 2.262) 9.855 7.806 ( 0.248 -4.607 2.721) 5.356 8.174 ( 0.490 14.695 2.567) 14.925 8.629 ( -7.176 -6.440 -4.587) 10.677 8.706 ( 0.238 -0.697 -2.117) 2.241 8.978 ( 5.029 -6.791 -2.457) 8.800 9.232 ( 13.758 -7.792 -3.696) 16.238 9.909 ( 1.569 -2.326 -1.302) 3.093 10.341 ( -5.799 2.115 2.768) 6.765 11.248 ( -10.836 1.202 0.515) 10.915 11.399 ( -2.177 6.543 7.230) 9.991 11.672 ( 5.800 4.136 0.907) 7.181 11.844 ( -3.312 -2.887 2.052) 4.850 12.260 ( 3.086 9.433 0.564) 9.941 12.483 ( -5.730 -0.283 4.453) 7.262 12.656 ( 1.772 -2.311 -2.218) 3.661 12.913 ( -3.227 -1.770 0.312) 3.693 13.125 ( 3.243 -9.168 -3.852) 10.459 13.454 ( -10.949 0.160 -2.085) 11.147 13.571 ( -3.052 -4.746 0.299) 5.650 13.897 ( 8.966 -0.725 -6.706) 11.220 14.428 ( 5.317 4.268 0.145) 6.820 14.648 ( -2.233 7.719 2.285) 8.354 14.751 ( 3.910 2.283 -1.474) 4.762 14.899 ( 0.932 -0.034 1.419) 1.698 15.179 ( 0.325 -7.514 0.641) 7.548 15.494 ( 0.647 -3.471 0.138) 3.533 15.627 ( 3.442 -0.803 -1.414) 3.806 15.813 ( 7.345 1.029 -1.587) 7.584 15.980 ( -1.458 -7.416 -1.780) 7.765 16.536 ( -5.537 0.674 5.701) 7.976 16.801 ( -13.346 1.767 -4.200) 14.102 17.258 ( 6.158 -1.122 -1.415) 6.417 17.583 ( 1.341 -0.628 -1.122) 1.858 17.775 ( 1.740 0.932 -1.592) 2.536 18.201 ( 0.696 -0.328 -0.307) 0.828 18.443 ( 1.924 0.873 -0.615) 2.200 19.259 ( -1.356 1.772 -0.335) 2.256 19.541 ( 1.796 2.688 1.754) 3.678 19.919 ( -2.494 -0.736 2.810) 3.829 20.998 ( -1.183 0.196 1.647) 2.037 ======================= Grid point 30 (20/65) ======================= q-point: (-0.38 -0.62 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( 1.861 0.000 -0.000) 1.861 1.502 ( 1.686 0.000 -0.000) 1.686 1.538 ( -0.332 -0.000 0.000) 0.332 1.590 ( 1.699 0.000 -0.000) 1.699 1.625 ( 3.673 0.000 -0.000) 3.673 1.823 ( 12.283 0.000 -0.000) 12.283 2.024 ( 1.375 0.000 -0.000) 1.375 2.968 ( 34.866 0.000 -0.000) 34.866 3.676 ( -7.314 -0.000 0.000) 7.314 4.264 ( -3.334 -0.000 0.000) 3.334 4.454 ( -14.923 -0.000 0.000) 14.923 4.803 ( -7.455 -0.000 0.000) 7.455 4.874 ( -12.522 -0.000 0.000) 12.522 5.423 ( -2.809 -0.000 0.000) 2.809 5.831 ( -15.106 -0.000 0.000) 15.106 6.280 ( 9.370 0.000 -0.000) 9.370 6.646 ( 1.478 0.000 -0.000) 1.478 6.882 ( 4.127 0.000 -0.000) 4.127 6.939 ( 0.523 0.000 -0.000) 0.523 7.716 ( -4.459 -0.000 0.000) 4.459 7.788 ( 0.351 0.000 -0.000) 0.351 8.306 ( 1.300 0.000 -0.000) 1.300 8.499 ( -1.079 -0.000 0.000) 1.079 8.714 ( 2.723 0.000 -0.000) 2.723 9.058 ( 8.003 0.000 -0.000) 8.003 9.407 ( 10.879 0.000 -0.000) 10.879 9.932 ( 3.060 0.000 -0.000) 3.060 10.260 ( -5.524 -0.000 0.000) 5.524 11.016 ( -14.328 -0.000 0.000) 14.328 11.380 ( -9.367 -0.000 0.000) 9.367 11.676 ( -8.663 -0.000 0.000) 8.663 11.841 ( 7.068 0.000 -0.000) 7.068 12.253 ( -6.347 -0.000 0.000) 6.347 12.544 ( 12.320 0.000 -0.000) 12.320 12.765 ( 6.667 0.000 -0.000) 6.667 12.807 ( -6.062 -0.000 0.000) 6.062 13.072 ( -9.241 -0.000 0.000) 9.241 13.246 ( -2.013 -0.000 0.000) 2.013 13.615 ( 7.708 0.000 -0.000) 7.708 13.989 ( 4.392 0.000 -0.000) 4.392 14.475 ( 0.176 0.000 -0.000) 0.176 14.638 ( -3.691 -0.000 0.000) 3.691 14.781 ( 0.115 0.000 -0.000) 0.115 15.019 ( 5.965 0.000 -0.000) 5.965 15.230 ( 9.748 0.000 -0.000) 9.748 15.453 ( -4.046 -0.000 0.000) 4.046 15.671 ( 1.295 0.000 -0.000) 1.295 15.834 ( -4.125 -0.000 0.000) 4.125 16.000 ( 8.104 0.000 -0.000) 8.104 16.421 ( -7.963 -0.000 0.000) 7.963 16.644 ( -3.764 -0.000 0.000) 3.764 17.308 ( 2.296 0.000 -0.000) 2.296 17.615 ( 1.888 0.000 -0.000) 1.888 17.806 ( 2.238 0.000 -0.000) 2.238 18.212 ( 0.852 0.000 -0.000) 0.852 18.482 ( 1.939 0.000 -0.000) 1.939 19.241 ( -1.406 -0.000 0.000) 1.406 19.592 ( 1.307 0.000 -0.000) 1.307 19.860 ( -4.574 -0.000 0.000) 4.574 20.974 ( -2.197 -0.000 0.000) 2.197 ======================= Grid point 39 (21/65) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( -0.000 0.000 0.000) 0.000 1.389 ( -0.000 0.000 0.000) 0.000 1.523 ( -0.000 0.000 0.000) 0.000 1.542 ( 0.000 -0.000 -0.000) 0.000 1.581 ( -0.000 0.000 0.000) 0.000 1.721 ( -0.000 0.000 0.000) 0.000 2.029 ( -0.000 0.000 0.000) 0.000 2.151 ( -0.000 0.000 0.000) 0.000 3.847 ( -0.000 0.000 0.000) 0.000 4.243 ( -0.000 0.000 0.000) 0.000 4.848 ( 0.000 -0.000 0.000) 0.000 5.043 ( -0.000 0.000 0.000) 0.000 5.091 ( 0.000 0.000 -0.000) 0.000 5.480 ( -0.000 0.000 0.000) 0.000 5.835 ( -0.000 0.000 0.000) 0.000 6.210 ( 0.000 -0.000 -0.000) 0.000 6.788 ( -0.000 0.000 -0.000) 0.000 6.835 ( -0.000 0.000 0.000) 0.000 6.913 ( -0.000 0.000 0.000) 0.000 7.599 ( -0.000 0.000 0.000) 0.000 7.794 ( -0.000 0.000 0.000) 0.000 8.261 ( -0.000 0.000 0.000) 0.000 8.662 ( -0.000 0.000 0.000) 0.000 8.709 ( -0.000 0.000 0.000) 0.000 8.894 ( -0.000 0.000 0.000) 0.000 8.998 ( -0.000 0.000 0.000) 0.000 9.879 ( -0.000 0.000 0.000) 0.000 10.415 ( -0.000 0.000 0.000) 0.000 11.393 ( -0.000 0.000 0.000) 0.000 11.413 ( -0.000 0.000 0.000) 0.000 11.643 ( -0.000 0.000 0.000) 0.000 11.890 ( -0.000 0.000 0.000) 0.000 12.314 ( -0.000 0.000 0.000) 0.000 12.538 ( -0.000 0.000 0.000) 0.000 12.615 ( -0.000 0.000 0.000) 0.000 12.944 ( 0.000 0.000 -0.000) 0.000 13.024 ( -0.000 0.000 0.000) 0.000 13.545 ( -0.000 0.000 0.000) 0.000 13.663 ( -0.000 0.000 0.000) 0.000 13.711 ( -0.000 0.000 -0.000) 0.000 14.371 ( -0.000 0.000 0.000) 0.000 14.704 ( -0.000 0.000 0.000) 0.000 14.768 ( -0.000 0.000 0.000) 0.000 14.911 ( -0.000 -0.000 0.000) 0.000 15.113 ( -0.000 -0.000 0.000) 0.000 15.483 ( -0.000 0.000 0.000) 0.000 15.535 ( -0.000 0.000 -0.000) 0.000 15.755 ( -0.000 0.000 0.000) 0.000 15.966 ( -0.000 0.000 0.000) 0.000 16.607 ( -0.000 0.000 0.000) 0.000 16.965 ( -0.000 0.000 -0.000) 0.000 17.158 ( -0.000 0.000 0.000) 0.000 17.550 ( -0.000 0.000 0.000) 0.000 17.762 ( -0.000 0.000 0.000) 0.000 18.191 ( -0.000 0.000 0.000) 0.000 18.426 ( -0.000 0.000 0.000) 0.000 19.281 ( -0.000 0.000 -0.000) 0.000 19.542 ( -0.000 0.000 0.000) 0.000 19.950 ( -0.000 0.000 0.000) 0.000 21.016 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 78 (22/65) ======================= q-point: ( 0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.628 ( -0.000 0.000 25.756) 25.756 0.628 ( -0.000 0.000 25.756) 25.756 1.107 ( -0.000 0.000 40.854) 40.854 1.605 ( 0.000 -0.000 -0.800) 0.800 1.605 ( 0.000 -0.000 -0.800) 0.800 2.081 ( 0.000 -0.000 -1.525) 1.525 2.292 ( -0.000 0.000 8.866) 8.866 2.292 ( -0.000 0.000 8.866) 8.866 3.352 ( -0.000 0.000 30.927) 30.927 3.820 ( 0.000 -0.000 -14.605) 14.605 3.820 ( 0.000 -0.000 -14.605) 14.605 4.704 ( 0.000 -0.000 -6.840) 6.840 4.704 ( 0.000 -0.000 -6.840) 6.840 5.076 ( 0.000 -0.000 -25.753) 25.753 6.222 ( -0.000 0.000 3.916) 3.916 6.222 ( -0.000 0.000 3.916) 3.916 6.559 ( -0.000 0.000 0.796) 0.796 6.860 ( -0.000 0.000 15.464) 15.464 6.860 ( -0.000 0.000 15.464) 15.464 7.178 ( -0.000 0.000 25.821) 25.821 7.550 ( 0.000 -0.000 -4.865) 4.865 7.550 ( 0.000 -0.000 -4.865) 4.865 8.992 ( 0.000 -0.000 -14.057) 14.057 8.992 ( 0.000 -0.000 -14.057) 14.057 9.569 ( 0.000 -0.000 -3.929) 3.929 10.269 ( -0.000 0.000 12.085) 12.085 10.269 ( -0.000 0.000 12.085) 12.085 10.601 ( -0.000 0.000 6.899) 6.899 10.601 ( -0.000 0.000 6.899) 6.899 10.619 ( 0.000 -0.000 -4.603) 4.603 10.909 ( 0.000 -0.000 -2.938) 2.938 11.345 ( 0.000 -0.000 -1.712) 1.712 12.064 ( -0.000 0.000 0.843) 0.843 12.064 ( -0.000 0.000 0.843) 0.843 12.880 ( 0.000 -0.000 -3.115) 3.115 12.925 ( 0.000 -0.000 -0.244) 0.244 13.757 ( -0.000 0.000 12.019) 12.019 13.783 ( 0.000 -0.000 -3.638) 3.638 13.783 ( 0.000 -0.000 -3.638) 3.638 14.162 ( 0.000 0.000 -1.074) 1.074 14.162 ( 0.000 0.000 -1.074) 1.074 14.904 ( 0.000 -0.000 -3.709) 3.709 14.904 ( 0.000 -0.000 -3.709) 3.709 15.264 ( 0.000 -0.000 -3.996) 3.996 15.537 ( -0.000 0.000 1.000) 1.000 15.537 ( -0.000 0.000 1.000) 1.000 15.939 ( -0.000 0.000 2.348) 2.348 15.939 ( -0.000 0.000 2.348) 2.348 15.975 ( 0.000 -0.000 -15.976) 15.976 16.664 ( -0.000 0.000 2.718) 2.718 16.879 ( 0.000 -0.000 -2.727) 2.727 17.408 ( 0.000 -0.000 -6.097) 6.097 17.408 ( 0.000 -0.000 -6.097) 6.097 17.721 ( 0.000 -0.000 -0.033) 0.033 18.230 ( 0.000 0.000 -0.029) 0.029 18.230 ( -0.000 -0.000 -0.029) 0.029 19.027 ( -0.000 0.000 4.232) 4.232 19.027 ( -0.000 0.000 4.232) 4.232 20.052 ( -0.000 0.000 4.372) 4.372 20.897 ( -0.000 0.000 5.425) 5.425 ======================= Grid point 79 (23/65) ======================= q-point: ( 0.25 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( 10.218 5.899 15.643) 19.594 1.028 ( 12.327 7.117 15.703) 21.193 1.404 ( 4.605 2.659 16.466) 17.303 1.606 ( 0.158 0.091 -0.726) 0.749 1.614 ( 1.578 0.911 0.665) 1.939 2.051 ( -1.277 -0.737 1.297) 1.964 2.378 ( 3.997 2.307 11.040) 11.966 2.588 ( 11.258 6.500 12.377) 17.950 3.542 ( -9.565 -5.522 -23.723) 26.168 3.664 ( 11.044 6.376 31.007) 33.527 3.880 ( 9.237 5.333 -7.538) 13.061 4.248 ( -15.195 -8.773 -3.470) 17.886 4.995 ( 15.038 8.682 0.015) 17.364 4.997 ( 3.048 1.760 -25.714) 25.953 6.034 ( -8.921 -5.151 1.592) 10.424 6.333 ( -0.434 -0.251 4.190) 4.220 6.680 ( 2.930 1.692 10.040) 10.595 6.895 ( 1.946 1.124 3.746) 4.368 7.028 ( 0.828 0.478 20.063) 20.085 7.274 ( -3.565 -2.058 5.926) 7.216 7.444 ( -6.142 -3.546 -3.368) 7.851 7.650 ( 7.982 4.608 11.423) 14.678 8.830 ( -1.258 -0.726 -13.802) 13.878 9.055 ( 6.007 3.468 -11.655) 13.563 9.471 ( -3.665 -2.116 -2.900) 5.130 10.040 ( -13.721 -7.922 -2.529) 16.044 10.313 ( -3.265 -1.885 -12.577) 13.130 10.549 ( -6.740 -3.892 20.693) 22.108 10.651 ( -1.326 -0.766 19.830) 19.889 10.884 ( 16.506 9.530 -5.708) 19.896 10.994 ( 2.527 1.459 2.975) 4.167 11.395 ( 5.978 3.451 1.364) 7.036 12.017 ( -1.603 -0.926 -0.871) 2.046 12.197 ( 5.783 3.339 1.832) 6.925 12.870 ( 1.568 0.905 -2.271) 2.904 13.049 ( 9.305 5.372 -1.055) 10.797 13.585 ( -14.405 -8.317 4.691) 17.282 13.757 ( 1.024 0.591 -2.620) 2.875 13.827 ( 0.332 0.192 -4.333) 4.350 14.095 ( -2.894 -1.671 -1.790) 3.791 14.172 ( -1.797 -1.038 0.454) 2.124 14.448 ( -18.605 -10.742 3.737) 21.806 14.928 ( 2.967 1.713 -4.697) 5.814 15.340 ( 0.913 0.527 7.033) 7.111 15.464 ( -5.698 -3.290 1.573) 6.765 15.466 ( 0.743 0.429 -7.020) 7.072 15.783 ( 0.896 0.517 -0.463) 1.134 15.908 ( -3.138 -1.812 1.449) 3.903 16.082 ( -3.276 -1.891 -2.237) 4.395 16.758 ( -2.291 -1.323 -8.110) 8.531 16.989 ( 10.783 6.225 -9.812) 15.852 17.323 ( -4.793 -2.767 -3.603) 6.604 17.397 ( 6.003 3.466 -7.491) 10.207 17.772 ( 3.620 2.090 -2.089) 4.673 18.217 ( -0.601 -0.347 -0.302) 0.757 18.311 ( 5.223 3.016 -2.761) 6.633 19.068 ( 2.027 1.170 4.288) 4.885 19.130 ( 4.147 2.394 4.091) 6.298 19.979 ( -6.626 -3.826 9.941) 12.545 20.918 ( -1.065 -0.615 6.555) 6.669 ======================= Grid point 80 (24/65) ======================= q-point: ( 0.38 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( 7.112 4.106 5.715) 10.005 1.304 ( 4.599 2.655 9.074) 10.514 1.538 ( 2.510 1.449 2.359) 3.737 1.601 ( -0.188 -0.109 -0.795) 0.824 1.681 ( 2.936 1.695 0.722) 3.466 2.037 ( -1.094 -0.632 2.281) 2.608 2.540 ( -0.630 -0.364 9.362) 9.390 2.856 ( 1.708 0.986 19.098) 19.199 3.200 ( -2.125 -1.227 -15.362) 15.557 4.007 ( 8.907 5.142 5.254) 11.549 4.011 ( -5.248 -3.030 -1.373) 6.213 4.275 ( 21.779 12.574 -6.067) 25.869 4.865 ( 0.993 0.573 -19.601) 19.635 5.418 ( 16.055 9.269 14.153) 23.324 5.908 ( -0.957 -0.552 1.421) 1.800 6.265 ( -7.946 -4.588 7.136) 11.623 6.712 ( -6.867 -3.965 7.511) 10.922 6.999 ( 5.770 3.332 -4.048) 7.797 7.044 ( -9.627 -5.558 9.994) 14.949 7.313 ( -2.566 -1.481 5.915) 6.615 7.323 ( 8.008 4.623 -2.206) 9.506 7.960 ( 8.912 5.145 16.631) 19.557 8.711 ( -1.811 -1.046 -10.158) 10.372 9.019 ( -4.191 -2.419 -9.278) 10.464 9.401 ( -0.356 -0.205 -3.345) 3.370 9.756 ( -5.732 -3.309 -9.026) 11.192 10.089 ( -7.813 -4.511 -10.874) 14.129 10.508 ( -9.126 -5.269 20.472) 23.025 10.658 ( -6.120 -3.533 7.443) 10.263 11.083 ( 0.511 0.295 13.051) 13.064 11.280 ( 19.322 11.156 -2.616) 22.464 11.608 ( 8.325 4.807 4.387) 10.567 12.005 ( 1.790 1.034 -1.137) 2.359 12.305 ( 2.557 1.476 4.347) 5.254 12.868 ( -3.639 -2.101 -1.856) 4.594 13.188 ( 1.149 0.663 -3.161) 3.428 13.300 ( -5.806 -3.352 -13.246) 14.846 13.612 ( -13.003 -7.507 1.881) 15.132 13.873 ( 11.010 6.357 -0.482) 12.723 14.045 ( 1.428 0.825 -6.810) 7.007 14.101 ( -4.184 -2.416 2.533) 5.455 14.329 ( -0.323 -0.187 10.020) 10.027 14.955 ( 2.720 1.570 -7.577) 8.202 15.251 ( -5.343 -3.085 -4.026) 7.367 15.358 ( -4.163 -2.404 3.384) 5.879 15.560 ( 4.856 2.804 -1.114) 5.717 15.764 ( -10.520 -6.074 0.431) 12.155 15.814 ( 0.707 0.408 -0.515) 0.965 15.979 ( -4.402 -2.542 5.358) 7.386 16.625 ( -4.737 -2.735 -3.239) 6.357 17.059 ( 4.885 2.821 -13.913) 15.013 17.206 ( -3.196 -1.845 -1.261) 3.899 17.517 ( 6.859 3.960 -5.222) 9.487 17.820 ( 2.210 1.276 -3.806) 4.583 18.201 ( -0.404 -0.233 -0.471) 0.663 18.394 ( 3.445 1.989 -2.413) 4.653 19.163 ( 3.103 1.791 4.415) 5.686 19.254 ( 3.557 2.054 4.758) 6.286 19.925 ( -3.756 -2.168 7.340) 8.525 20.938 ( -1.017 -0.587 5.266) 5.396 ======================= Grid point 81 (25/65) ======================= q-point: ( 0.50 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( 3.483 2.011 1.272) 4.219 1.407 ( 0.650 0.376 4.863) 4.920 1.588 ( -0.383 -0.221 -0.960) 1.057 1.588 ( 1.207 0.697 0.717) 1.567 1.724 ( 1.191 0.688 -2.825) 3.142 2.035 ( -0.728 -0.420 2.864) 2.985 2.471 ( -4.672 -2.698 7.108) 8.924 2.969 ( -2.965 -1.712 21.798) 22.065 3.231 ( 4.151 2.396 -4.236) 6.397 3.978 ( 2.163 1.249 3.082) 3.967 4.184 ( 1.637 0.945 4.271) 4.671 4.577 ( 14.169 8.181 -24.797) 29.708 4.835 ( 5.866 3.387 -8.049) 10.520 5.631 ( -0.762 -0.440 -0.518) 1.021 6.108 ( -8.888 -5.132 5.089) 11.456 6.148 ( 8.457 4.883 8.776) 13.129 6.520 ( -4.045 -2.335 -4.281) 6.335 6.859 ( -10.508 -6.067 7.134) 14.076 7.060 ( -2.736 -1.580 13.812) 14.169 7.475 ( 7.251 4.186 -7.340) 11.134 7.482 ( 11.480 6.628 5.328) 14.287 8.260 ( 8.233 4.753 9.836) 13.679 8.622 ( -0.870 -0.502 -4.413) 4.526 8.744 ( -12.971 -7.489 -6.797) 16.448 9.383 ( 0.028 0.016 -6.611) 6.611 9.650 ( 2.222 1.283 -13.232) 13.479 9.853 ( -6.237 -3.601 -0.789) 7.245 10.441 ( -8.645 -4.991 19.743) 22.123 10.558 ( -5.600 -3.233 7.422) 9.844 11.158 ( -2.862 -1.652 11.153) 11.632 11.638 ( 10.530 6.080 -1.013) 12.202 11.734 ( 0.423 0.244 1.037) 1.146 12.129 ( 10.239 5.912 -0.641) 11.840 12.385 ( 0.161 0.093 -2.136) 2.144 12.717 ( -1.803 -1.041 -1.149) 2.378 13.046 ( -5.563 -3.212 -17.472) 18.615 13.067 ( -7.915 -4.570 -1.949) 9.345 13.563 ( 1.024 0.591 16.385) 16.427 13.957 ( -4.440 -2.564 2.837) 5.860 14.016 ( 1.169 0.675 -10.342) 10.429 14.291 ( 18.206 10.511 -0.514) 21.029 14.413 ( 0.676 0.390 7.276) 7.318 14.941 ( 1.310 0.756 -8.995) 9.121 15.114 ( -1.671 -0.965 -9.961) 10.146 15.319 ( -4.159 -2.401 5.528) 7.323 15.456 ( -12.963 -7.484 -1.305) 15.025 15.607 ( -0.055 -0.032 0.927) 0.929 15.801 ( -1.998 -1.153 3.663) 4.328 15.975 ( -0.065 -0.037 3.790) 3.791 16.519 ( -2.844 -1.642 -1.475) 3.600 17.075 ( 4.798 2.770 -11.232) 12.524 17.161 ( -0.733 -0.423 0.004) 0.846 17.621 ( 4.435 2.561 -2.170) 5.562 17.827 ( 1.162 0.671 -4.520) 4.715 18.194 ( 0.083 0.048 -0.497) 0.506 18.439 ( 1.741 1.005 -1.348) 2.421 19.252 ( 1.601 0.924 4.488) 4.854 19.347 ( 1.169 0.675 5.564) 5.726 19.889 ( -2.615 -1.510 2.139) 3.700 20.938 ( -1.584 -0.914 3.091) 3.592 ======================= Grid point 82 (26/65) ======================= q-point: (-0.38 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.384 ( -0.342 -0.198 0.257) 0.471 1.409 ( -2.877 -1.661 2.732) 4.302 1.573 ( 0.000 0.000 -1.071) 1.071 1.609 ( 0.224 0.129 0.685) 0.732 1.704 ( -0.639 -0.369 -3.741) 3.813 2.039 ( -0.479 -0.277 2.181) 2.250 2.553 ( 4.126 2.382 14.828) 15.575 3.067 ( -3.327 -1.921 26.628) 26.904 3.230 ( 1.068 0.616 -5.496) 5.632 4.091 ( 1.617 0.933 9.301) 9.487 4.104 ( -5.533 -3.194 -14.108) 15.487 4.567 ( 0.976 0.564 -26.905) 26.929 5.037 ( 12.192 7.039 4.756) 14.860 5.512 ( -11.043 -6.376 -1.729) 12.868 5.949 ( -6.035 -3.485 0.435) 6.983 6.050 ( -2.942 -1.699 -11.939) 12.412 6.668 ( 5.142 2.969 7.775) 9.783 6.700 ( -6.028 -3.480 4.099) 8.078 7.094 ( -3.355 -1.937 18.116) 18.525 7.541 ( 3.067 1.771 -8.871) 9.552 7.723 ( 0.953 0.550 6.183) 6.281 8.217 ( -15.028 -8.676 -9.714) 19.887 8.631 ( 8.108 4.681 3.502) 9.996 8.654 ( 6.043 3.489 1.793) 7.205 9.277 ( -1.314 -0.759 -8.916) 9.044 9.641 ( 5.208 3.007 -14.466) 15.666 9.910 ( 7.977 4.605 5.114) 10.535 10.393 ( -7.902 -4.562 20.229) 22.192 10.538 ( -2.389 -1.379 13.944) 14.214 11.046 ( -10.517 -6.072 0.434) 12.152 11.681 ( -2.526 -1.458 -4.414) 5.291 11.741 ( 0.106 0.061 -0.761) 0.771 12.313 ( 0.046 0.027 -6.327) 6.327 12.321 ( 1.045 0.604 -0.859) 1.482 12.695 ( -3.309 -1.910 -1.637) 4.157 12.959 ( 3.231 1.865 1.630) 4.072 13.000 ( 7.634 4.408 -4.497) 9.896 13.744 ( 3.628 2.095 15.705) 16.255 13.888 ( -2.868 -1.656 2.483) 4.139 13.974 ( 1.791 1.034 -7.522) 7.801 14.428 ( -2.534 -1.463 3.347) 4.446 14.603 ( 2.264 1.307 -3.249) 4.170 14.884 ( -0.498 -0.287 -7.682) 7.704 15.040 ( 1.537 0.888 -11.912) 12.044 15.115 ( -3.181 -1.837 1.010) 3.810 15.414 ( 3.206 1.851 3.067) 4.807 15.606 ( -0.513 -0.296 1.890) 1.981 15.798 ( -0.342 -0.198 4.313) 4.331 15.989 ( -1.311 -0.757 3.999) 4.276 16.475 ( 0.678 0.391 -3.577) 3.662 17.129 ( 5.029 2.904 -6.393) 8.637 17.151 ( -0.418 -0.241 0.190) 0.519 17.692 ( 2.280 1.316 0.686) 2.721 17.822 ( 1.433 0.828 -4.649) 4.935 18.198 ( 0.478 0.276 -0.325) 0.641 18.459 ( 0.668 0.385 -0.699) 1.041 19.288 ( -1.370 -0.791 4.531) 4.799 19.386 ( -1.211 -0.699 6.195) 6.350 19.822 ( -3.244 -1.873 -2.656) 4.592 20.909 ( -2.194 -1.266 1.223) 2.813 ======================= Grid point 83 (27/65) ======================= q-point: (-0.25 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( -6.552 -3.783 0.566) 7.587 1.315 ( -6.853 -3.957 2.472) 8.291 1.580 ( 0.968 0.559 -0.956) 1.471 1.594 ( -3.051 -1.762 -0.074) 3.524 1.652 ( -1.243 -0.718 -1.940) 2.413 2.047 ( 0.072 0.041 1.572) 1.574 2.688 ( -3.668 -2.118 8.915) 9.870 3.131 ( -11.997 -6.927 31.460) 34.375 3.380 ( 14.672 8.471 5.327) 17.759 3.763 ( -4.342 -2.507 -42.466) 42.761 4.142 ( -2.914 -1.683 10.677) 11.195 4.338 ( -6.592 -3.806 -11.284) 13.612 5.058 ( -23.810 -13.747 -6.465) 28.244 5.400 ( 12.354 7.133 12.218) 18.783 5.873 ( 1.074 0.620 -2.243) 2.563 6.012 ( 3.103 1.792 -6.530) 7.448 6.647 ( -0.515 -0.297 -0.095) 0.602 6.761 ( -1.382 -0.798 12.021) 12.127 7.176 ( 2.020 1.166 8.230) 8.554 7.414 ( -9.954 -5.747 -14.337) 18.375 7.576 ( -14.810 -8.551 8.332) 19.023 7.818 ( -9.948 -5.743 -4.651) 12.393 8.876 ( 11.319 6.535 -4.100) 13.698 8.920 ( 12.278 7.088 6.526) 15.607 9.284 ( 5.042 2.911 -3.600) 6.845 9.689 ( 7.785 4.495 -13.006) 15.811 10.101 ( 5.247 3.029 -7.476) 9.623 10.359 ( -7.596 -4.385 21.037) 22.792 10.629 ( -2.629 -1.518 13.946) 14.273 10.806 ( -2.777 -1.604 -0.434) 3.236 11.622 ( -0.378 -0.218 -1.594) 1.652 11.633 ( -9.196 -5.309 -2.065) 10.817 12.200 ( -7.141 -4.123 3.059) 8.795 12.220 ( -5.984 -3.455 -2.948) 7.512 12.717 ( 5.777 3.335 -2.011) 6.967 13.113 ( 4.370 2.523 -2.627) 5.689 13.192 ( 11.128 6.425 1.223) 12.908 13.852 ( -1.481 -0.855 -0.091) 1.713 13.856 ( 3.964 2.289 -9.613) 10.647 14.083 ( 4.456 2.573 13.653) 14.590 14.304 ( -17.456 -10.078 0.009) 20.157 14.374 ( -3.795 -2.191 6.106) 7.516 14.894 ( 4.693 2.709 -11.356) 12.583 14.992 ( 1.304 0.753 -11.922) 12.017 15.213 ( 4.771 2.755 2.139) 5.910 15.598 ( 10.383 5.995 3.677) 12.540 15.635 ( 2.623 1.514 -0.582) 3.084 15.827 ( 0.479 0.277 2.498) 2.559 15.973 ( -3.193 -1.844 6.863) 7.791 16.516 ( 5.791 3.343 -5.184) 8.461 17.146 ( 0.390 0.225 -0.584) 0.737 17.195 ( 3.330 1.923 -3.727) 5.355 17.732 ( -0.049 -0.028 2.518) 2.519 17.826 ( 1.500 0.866 -4.412) 4.740 18.210 ( 0.637 0.368 -0.011) 0.736 18.463 ( 0.099 0.057 -0.530) 0.542 19.253 ( -4.341 -2.506 4.556) 6.774 19.388 ( -2.243 -1.295 6.261) 6.776 19.700 ( -4.689 -2.707 -5.266) 7.553 20.863 ( -2.228 -1.286 0.719) 2.671 ======================= Grid point 84 (28/65) ======================= q-point: (-0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( -13.714 -7.918 3.588) 16.237 1.114 ( -13.294 -7.675 4.128) 15.896 1.427 ( -11.750 -6.784 1.690) 13.672 1.594 ( 0.782 0.451 -0.917) 1.286 1.637 ( -0.366 -0.211 0.260) 0.496 2.053 ( -0.747 -0.431 0.956) 1.287 2.549 ( -10.829 -6.252 7.277) 14.467 2.844 ( -19.542 -11.282 1.129) 22.593 3.429 ( -11.359 -6.558 -8.171) 15.453 3.843 ( 16.996 9.813 0.286) 19.627 4.138 ( -9.351 -5.399 0.914) 10.836 4.170 ( 2.288 1.321 12.746) 13.017 4.535 ( -7.991 -4.614 -14.779) 17.424 5.662 ( 3.101 1.791 5.419) 6.495 6.031 ( 11.906 6.874 2.175) 13.919 6.062 ( 5.102 2.946 -5.444) 8.022 6.557 ( -9.629 -5.559 -4.509) 11.998 6.796 ( -6.268 -3.619 21.052) 22.262 7.054 ( -5.557 -3.208 -8.814) 10.902 7.188 ( -11.145 -6.435 0.824) 12.896 7.377 ( 2.497 1.441 2.440) 3.777 7.681 ( -3.928 -2.268 1.064) 4.659 9.027 ( 6.359 3.671 -13.344) 15.231 9.224 ( 8.633 4.984 6.645) 11.981 9.395 ( 3.975 2.295 0.320) 4.601 9.849 ( 12.605 7.277 -6.974) 16.139 10.027 ( -3.225 -1.862 -6.513) 7.502 10.351 ( -5.756 -3.323 21.706) 22.701 10.561 ( 2.436 1.407 -14.167) 14.444 10.973 ( 3.889 2.246 16.145) 16.758 11.316 ( -15.379 -8.879 -2.847) 17.985 11.586 ( -6.203 -3.581 5.522) 9.044 12.102 ( 0.483 0.279 -5.641) 5.668 12.117 ( -3.060 -1.767 4.590) 5.793 12.784 ( 0.755 0.436 -1.190) 1.475 13.257 ( 8.362 4.828 2.444) 9.960 13.300 ( -4.962 -2.865 -0.162) 5.732 13.808 ( -0.020 -0.012 -3.267) 3.267 13.877 ( 3.851 2.224 -7.606) 8.810 14.044 ( -3.622 -2.091 1.090) 4.323 14.145 ( -2.099 -1.212 -1.274) 2.739 14.430 ( 0.653 0.377 12.219) 12.242 14.914 ( 3.176 1.834 -9.081) 9.793 14.961 ( 3.226 1.863 -6.328) 7.343 15.325 ( 4.400 2.540 2.579) 5.698 15.635 ( -2.483 -1.434 -2.319) 3.688 15.849 ( 7.487 4.323 3.138) 9.197 15.885 ( -0.122 -0.070 0.391) 0.415 15.979 ( 4.009 2.315 5.236) 6.989 16.656 ( 8.620 4.977 -3.948) 10.708 17.184 ( 4.197 2.423 -2.153) 5.303 17.217 ( 0.768 0.443 -4.060) 4.156 17.711 ( -3.504 -2.023 1.931) 4.483 17.818 ( 0.037 0.021 -3.716) 3.716 18.225 ( 0.508 0.293 0.227) 0.629 18.454 ( -0.512 -0.296 -1.605) 1.711 19.164 ( -5.829 -3.365 4.520) 8.107 19.340 ( -4.376 -2.526 -5.620) 7.557 19.591 ( -2.311 -1.335 7.159) 7.641 20.827 ( -1.471 -0.849 2.028) 2.645 ======================= Grid point 87 (29/65) ======================= q-point: ( 0.25 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( -0.000 9.013 11.348) 14.492 1.083 ( -0.000 11.370 12.759) 17.090 1.495 ( -0.000 -1.043 10.346) 10.398 1.584 ( 0.000 -0.683 -0.739) 1.006 1.639 ( -0.000 2.608 2.219) 3.424 2.058 ( -0.000 -1.491 1.288) 1.971 2.516 ( -0.000 2.612 10.418) 10.740 2.563 ( -0.000 7.367 7.828) 10.749 3.469 ( 0.000 1.750 -18.747) 18.828 3.726 ( 0.000 4.690 -10.694) 11.678 3.950 ( -0.000 6.474 32.907) 33.538 4.432 ( 0.000 -9.290 -11.612) 14.871 4.510 ( -0.000 2.734 8.910) 9.320 5.129 ( 0.000 23.470 -20.835) 31.384 6.163 ( 0.000 -11.026 1.381) 11.113 6.202 ( -0.000 -4.221 10.012) 10.865 6.821 ( -0.000 17.078 0.671) 17.091 6.862 ( -0.000 -10.217 9.575) 14.002 7.229 ( -0.000 9.848 4.346) 10.764 7.252 ( -0.000 -14.940 7.137) 16.557 7.440 ( -0.000 -5.438 7.174) 9.002 7.748 ( -0.000 7.854 16.220) 18.021 8.723 ( 0.000 -2.805 -9.427) 9.835 9.017 ( 0.000 10.280 -11.443) 15.383 9.426 ( 0.000 -5.504 -5.394) 7.706 9.977 ( 0.000 -20.219 -10.295) 22.689 10.250 ( 0.000 -3.435 -7.750) 8.477 10.545 ( -0.000 -15.505 18.007) 23.762 10.785 ( 0.000 14.332 -5.195) 15.245 10.986 ( -0.000 8.761 24.660) 26.170 11.058 ( -0.000 9.542 0.775) 9.574 11.410 ( -0.000 9.143 -0.271) 9.147 12.059 ( 0.000 0.907 -1.095) 1.422 12.175 ( -0.000 5.444 4.881) 7.312 12.828 ( 0.000 -0.405 -3.462) 3.486 13.049 ( -0.000 11.413 -0.894) 11.448 13.648 ( 0.000 -4.539 -11.035) 11.932 13.722 ( -0.000 -9.444 8.680) 12.827 13.775 ( 0.000 -5.494 -0.479) 5.514 14.072 ( 0.000 -1.530 -0.844) 1.747 14.214 ( 0.000 0.108 -2.405) 2.407 14.525 ( 0.000 -16.720 -0.445) 16.725 14.817 ( 0.000 -3.384 -2.171) 4.020 15.212 ( -0.000 -7.589 4.937) 9.054 15.481 ( 0.000 1.630 -6.181) 6.392 15.491 ( 0.000 -5.187 1.285) 5.343 15.781 ( 0.000 2.147 -3.965) 4.509 16.010 ( -0.000 -0.438 2.209) 2.252 16.020 ( 0.000 0.301 -2.580) 2.597 16.709 ( 0.000 1.544 -9.514) 9.638 16.949 ( 0.000 7.317 -2.269) 7.661 17.188 ( 0.000 -6.584 -6.396) 9.179 17.453 ( 0.000 10.484 -7.655) 12.982 17.730 ( 0.000 0.041 -1.574) 1.575 18.233 ( 0.000 -0.176 -0.197) 0.264 18.278 ( 0.000 4.708 -2.058) 5.138 19.093 ( -0.000 1.720 3.783) 4.155 19.178 ( -0.000 5.990 5.341) 8.025 20.042 ( -0.000 -6.868 9.013) 11.331 20.966 ( -0.000 -1.132 6.625) 6.721 ======================= Grid point 88 (30/65) ======================= q-point: ( 0.38 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( 2.645 6.792 6.080) 9.492 1.306 ( 5.080 5.290 5.918) 9.424 1.530 ( 1.018 -1.032 3.088) 3.411 1.589 ( 1.339 -0.527 -0.715) 1.607 1.670 ( 0.176 1.191 0.582) 1.337 2.049 ( -0.202 -2.714 2.765) 3.880 2.488 ( 0.565 -15.871 1.823) 15.986 2.822 ( 16.937 2.510 2.827) 17.354 3.371 ( -11.324 17.112 -3.157) 20.761 3.809 ( 8.964 2.588 -7.455) 11.943 4.137 ( -3.889 0.993 14.173) 14.730 4.190 ( -4.165 7.063 -1.662) 8.366 4.875 ( 3.535 18.243 0.989) 18.609 5.282 ( 12.272 14.877 -6.648) 20.399 5.971 ( -5.401 -9.415 9.225) 14.245 6.320 ( 3.245 -4.111 6.476) 8.329 6.776 ( -3.663 -7.743 3.245) 9.160 6.966 ( -1.359 5.468 -1.373) 5.799 7.123 ( -0.940 -4.899 0.342) 5.000 7.268 ( 1.178 -2.901 1.834) 3.629 7.506 ( -4.812 8.741 14.219) 17.371 7.972 ( 5.931 0.710 16.615) 17.656 8.657 ( 0.023 -0.250 -6.160) 6.165 8.997 ( -2.016 1.476 -10.709) 10.997 9.335 ( 0.286 -4.278 -5.785) 7.201 9.673 ( -1.712 -14.938 -11.463) 18.907 10.113 ( -3.930 -3.418 -7.659) 9.262 10.493 ( -2.255 -14.662 14.766) 20.930 10.977 ( -0.981 10.497 2.162) 10.762 11.094 ( 1.863 7.949 4.232) 9.196 11.248 ( 1.770 9.747 13.718) 16.921 11.583 ( 6.635 10.727 2.638) 12.887 12.025 ( -2.786 2.012 0.272) 3.447 12.314 ( 2.069 3.650 6.171) 7.462 12.826 ( 2.895 -1.361 -3.265) 4.571 13.147 ( -1.736 0.087 -5.169) 5.454 13.372 ( -11.485 0.537 -10.544) 15.600 13.674 ( -0.191 -13.875 4.566) 14.608 13.774 ( 5.116 3.052 -1.644) 6.179 13.978 ( -5.968 -6.958 -3.625) 9.858 14.161 ( 2.285 0.452 -0.010) 2.329 14.404 ( -3.394 0.450 4.350) 5.536 14.852 ( 5.233 -2.268 -3.544) 6.715 15.186 ( 4.254 -14.928 2.821) 15.776 15.318 ( -6.990 -1.333 -5.955) 9.279 15.566 ( 3.953 3.290 -0.049) 5.144 15.729 ( -0.916 -3.576 -0.866) 3.792 15.888 ( -5.616 -1.791 1.256) 6.028 16.170 ( 2.772 5.593 1.672) 6.462 16.603 ( -3.765 -3.842 -5.610) 7.772 16.823 ( -4.526 -6.364 -5.977) 9.834 17.288 ( 8.695 3.259 -6.784) 11.500 17.448 ( -3.511 9.130 -4.462) 10.752 17.752 ( 3.461 0.059 -3.711) 5.075 18.215 ( -1.021 0.184 -0.536) 1.168 18.344 ( 3.219 3.530 -2.171) 5.247 19.157 ( 1.990 1.501 4.226) 4.907 19.295 ( 1.736 6.583 4.593) 8.212 20.009 ( -3.309 -5.130 8.131) 10.168 20.990 ( -1.088 -0.973 5.580) 5.768 ======================= Grid point 89 (31/65) ======================= q-point: ( 0.50 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( 1.855 4.345 2.102) 5.171 1.426 ( 1.718 1.720 3.075) 3.920 1.564 ( 1.693 -0.546 1.040) 2.060 1.595 ( 0.047 0.285 -0.481) 0.561 1.682 ( 1.292 0.057 -2.777) 3.063 2.040 ( 0.415 -3.620 3.794) 5.260 2.341 ( 5.698 -18.905 1.567) 19.807 3.175 ( 12.050 5.619 -3.813) 13.832 3.374 ( -7.244 15.499 10.134) 19.884 3.824 ( 2.897 -5.156 -0.606) 5.945 4.230 ( 1.454 -0.256 3.103) 3.436 4.306 ( 2.318 13.512 5.064) 14.615 4.955 ( -6.278 18.695 -10.116) 22.164 5.525 ( 6.134 1.497 -9.419) 11.340 6.007 ( 4.168 -9.253 11.818) 15.577 6.342 ( -1.276 1.975 5.991) 6.436 6.566 ( -9.633 -2.539 -4.182) 10.804 6.976 ( -1.990 -7.375 6.152) 9.808 7.053 ( 3.039 -3.361 0.969) 4.634 7.391 ( 4.053 8.422 3.186) 9.874 7.618 ( -2.898 13.513 9.131) 16.564 8.155 ( 7.462 -7.294 9.301) 13.978 8.632 ( -1.026 2.427 -1.060) 2.841 8.805 ( -7.405 -7.313 -8.477) 13.423 9.271 ( 3.550 -4.717 -7.928) 9.884 9.530 ( 2.371 -1.398 -11.683) 12.002 9.963 ( -6.607 0.099 -2.809) 7.180 10.419 ( -0.309 -14.587 14.592) 20.635 10.926 ( -14.073 7.378 9.262) 18.392 11.246 ( 1.065 -0.954 9.441) 9.549 11.531 ( 8.655 10.961 2.572) 14.201 11.786 ( 1.628 7.364 1.154) 7.630 12.061 ( 4.440 5.569 1.003) 7.193 12.370 ( -1.042 -0.140 -1.248) 1.632 12.725 ( -6.345 -5.986 -3.651) 9.457 12.956 ( -0.945 -2.892 -10.402) 10.838 13.193 ( -10.380 1.015 -4.634) 11.413 13.600 ( 1.854 -10.451 12.220) 16.187 13.827 ( 3.649 -7.221 -5.537) 9.803 14.003 ( 8.067 5.156 -3.022) 10.040 14.228 ( 0.937 9.893 1.181) 10.007 14.430 ( 2.203 0.958 4.186) 4.826 14.847 ( 0.448 -1.741 -4.774) 5.101 15.088 ( -2.131 -5.146 -6.796) 8.787 15.220 ( 3.911 -6.264 -1.898) 7.624 15.587 ( -7.503 -1.895 0.286) 7.744 15.691 ( 1.500 -0.452 3.069) 3.445 15.832 ( -1.833 -0.009 2.448) 3.058 16.148 ( -12.603 6.371 1.449) 14.196 16.503 ( 0.598 -7.443 0.956) 7.528 16.727 ( 9.372 -8.257 -9.811) 15.883 17.303 ( -3.875 5.932 -4.707) 8.507 17.538 ( 5.537 3.975 -1.229) 6.926 17.775 ( 2.206 1.008 -5.157) 5.699 18.201 ( -0.498 0.616 -0.629) 1.012 18.411 ( 2.415 2.648 -1.809) 4.014 19.235 ( 2.469 -0.612 4.716) 5.358 19.414 ( 0.908 5.982 3.992) 7.249 19.946 ( -4.118 -3.731 4.525) 7.166 20.986 ( -2.001 -1.073 3.643) 4.293 ======================= Grid point 90 (32/65) ======================= q-point: ( 0.62 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( 0.140 3.007 0.652) 3.080 1.455 ( -1.341 -0.001 1.847) 2.283 1.571 ( -0.349 -0.171 -0.746) 0.841 1.602 ( 0.780 -0.025 0.119) 0.789 1.676 ( 0.675 -0.277 -2.789) 2.883 2.040 ( 0.194 -2.457 2.540) 3.539 2.418 ( 15.796 -10.192 9.512) 21.068 3.188 ( -6.982 6.159 -5.326) 10.726 3.523 ( -3.484 14.270 2.526) 14.905 3.954 ( 9.708 -4.017 6.784) 12.506 4.211 ( -6.336 1.823 0.590) 6.620 4.400 ( -2.077 1.802 -0.529) 2.800 4.996 ( 1.810 8.099 0.244) 8.302 5.503 ( -0.382 -6.715 -5.947) 8.978 5.859 ( -5.779 -13.740 -2.649) 15.140 6.199 ( -8.609 4.731 -7.271) 12.221 6.653 ( 5.540 3.422 6.640) 9.300 6.863 ( -6.938 -1.231 4.564) 8.395 7.150 ( 6.650 -6.375 6.062) 11.027 7.484 ( -3.199 5.658 0.618) 6.529 7.854 ( 1.843 15.968 8.259) 18.072 8.156 ( 0.169 -14.853 -2.666) 15.092 8.547 ( -2.507 -3.995 -1.580) 4.974 8.717 ( 1.988 6.159 -0.255) 6.477 9.221 ( 0.971 -1.671 -9.929) 10.115 9.498 ( 2.040 2.835 -10.130) 10.715 9.910 ( 0.656 3.811 -0.140) 3.870 10.417 ( 2.286 -12.793 18.787) 22.844 10.837 ( -10.524 3.329 12.123) 16.396 11.201 ( -10.988 -5.035 7.692) 14.327 11.637 ( -0.534 -2.967 -4.583) 5.485 11.817 ( -2.965 6.209 -1.214) 6.987 12.187 ( 1.885 -0.187 -5.240) 5.572 12.374 ( 5.582 13.537 -4.536) 15.329 12.699 ( 0.342 -2.783 2.052) 3.475 12.878 ( 2.722 0.266 -2.956) 4.027 12.984 ( -6.341 -3.955 -0.449) 7.487 13.663 ( 6.946 -10.545 3.764) 13.176 13.842 ( 7.448 -2.771 1.263) 8.046 14.019 ( -4.083 0.917 0.029) 4.185 14.382 ( 3.689 1.446 0.297) 3.973 14.584 ( 5.354 9.678 0.195) 11.062 14.813 ( 2.008 -1.279 -4.184) 4.814 14.966 ( -1.557 0.977 -9.812) 9.983 15.195 ( -3.414 -6.625 -0.102) 7.454 15.410 ( -6.528 2.201 1.297) 7.010 15.735 ( -1.422 3.225 -0.880) 3.633 15.833 ( -0.813 2.386 4.316) 4.998 16.027 ( -3.802 -2.587 4.091) 6.155 16.433 ( -1.124 -3.061 -3.244) 4.599 16.810 ( 13.300 -9.000 -4.545) 16.690 17.278 ( -2.508 5.693 -1.958) 6.522 17.639 ( 3.632 0.428 0.105) 3.658 17.789 ( 1.627 2.929 -4.628) 5.714 18.202 ( 0.021 1.199 -0.532) 1.311 18.452 ( 0.917 2.163 -1.270) 2.671 19.283 ( 1.230 -3.322 4.693) 5.880 19.492 ( -1.561 4.919 3.711) 6.356 19.853 ( -4.585 -3.492 0.508) 5.786 20.952 ( -2.693 -1.253 1.960) 3.558 ======================= Grid point 91 (33/65) ======================= q-point: (-0.25 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.389 ( -4.274 -0.647 0.821) 4.400 1.408 ( -4.814 -0.398 0.772) 4.892 1.563 ( 0.370 0.156 -1.157) 1.225 1.612 ( 0.251 0.063 -0.238) 0.351 1.661 ( -1.121 -0.012 -0.258) 1.150 2.036 ( 0.543 -1.695 0.922) 2.005 2.748 ( 15.629 0.160 10.574) 18.871 3.075 ( -2.804 0.561 -7.888) 8.390 3.516 ( -3.712 3.330 -32.327) 32.709 3.856 ( -21.499 8.369 23.218) 32.731 4.250 ( -0.875 -1.228 12.612) 12.702 4.340 ( -2.252 -1.133 0.308) 2.540 5.067 ( -3.792 -20.681 0.893) 21.045 5.339 ( 5.757 4.186 -2.500) 7.544 5.708 ( 1.455 -9.389 1.873) 9.684 6.174 ( -3.802 14.037 -3.286) 14.910 6.733 ( -4.356 1.974 2.719) 5.501 6.810 ( 0.625 2.136 2.043) 3.021 7.190 ( 1.782 -8.911 1.493) 9.209 7.410 ( -8.459 -1.270 -0.464) 8.567 7.851 ( -8.413 -5.399 0.148) 9.997 7.939 ( -15.902 1.074 1.827) 16.043 8.614 ( 12.047 -2.599 1.341) 12.397 8.876 ( 8.851 6.879 -0.344) 11.216 9.214 ( 4.587 5.012 -6.970) 9.734 9.533 ( 5.163 6.692 -9.797) 12.940 10.000 ( 5.107 3.373 -5.724) 8.380 10.485 ( 0.917 -11.048 22.649) 25.216 10.742 ( -7.768 -4.520 -6.672) 11.193 10.982 ( -11.604 -1.048 17.936) 21.388 11.579 ( 2.494 -0.682 -2.278) 3.445 11.774 ( -7.853 3.408 -1.775) 8.743 12.196 ( -1.213 -3.696 0.484) 3.920 12.365 ( -10.057 -0.671 -1.484) 10.188 12.668 ( 0.718 3.058 -0.540) 3.187 12.980 ( 6.885 -1.207 0.180) 6.993 13.082 ( 12.856 7.202 -0.177) 14.737 13.681 ( 7.354 -5.077 -6.769) 11.210 13.904 ( -0.613 -1.701 -3.264) 3.731 14.037 ( 5.405 -3.028 6.581) 9.039 14.412 ( -1.894 -0.756 3.640) 4.172 14.567 ( -13.830 -0.898 -1.213) 13.913 14.763 ( 0.377 -1.057 -3.246) 3.434 14.948 ( 0.723 2.497 -6.480) 6.982 15.152 ( 5.153 6.373 -2.653) 8.615 15.438 ( 3.205 0.304 2.399) 4.015 15.729 ( -0.397 2.286 -0.522) 2.379 15.885 ( -1.689 5.111 0.618) 5.418 16.032 ( 2.009 -0.293 6.783) 7.080 16.403 ( 3.944 0.925 -6.113) 7.334 16.869 ( 8.102 -13.273 -1.078) 15.588 17.317 ( 0.237 8.230 -1.233) 8.326 17.672 ( 2.272 -3.006 -0.730) 3.839 17.826 ( 0.917 3.947 -2.210) 4.615 18.216 ( 0.229 1.662 -0.396) 1.724 18.469 ( -0.307 1.623 -0.872) 1.868 19.275 ( -0.722 -5.337 4.234) 6.851 19.502 ( -4.431 2.763 1.392) 5.405 19.736 ( -4.746 -2.650 0.289) 5.444 20.903 ( -2.726 -1.171 1.563) 3.353 ======================= Grid point 92 (34/65) ======================= q-point: (-0.12 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( -9.020 -2.684 2.728) 9.798 1.285 ( -9.366 -1.419 1.086) 9.535 1.542 ( -3.152 -0.826 -0.192) 3.264 1.605 ( -1.241 1.717 -0.503) 2.177 1.645 ( -0.998 -0.152 1.887) 2.141 2.038 ( 0.830 -1.399 -0.125) 1.632 2.788 ( -13.993 0.688 -1.517) 14.092 2.953 ( -7.983 -8.547 -26.339) 28.819 3.312 ( 11.629 1.066 3.315) 12.139 3.889 ( -6.571 11.506 8.939) 15.983 4.148 ( -4.624 -11.494 2.585) 12.656 4.395 ( -7.972 3.803 17.472) 19.578 4.678 ( -14.910 -4.838 -0.013) 15.675 5.546 ( 6.814 -5.302 1.978) 8.857 5.752 ( 11.987 -1.114 0.405) 12.046 6.238 ( -3.262 15.311 -2.057) 15.790 6.649 ( -8.407 -4.661 1.867) 9.792 6.874 ( 0.781 -7.074 4.360) 8.346 7.041 ( 2.047 -0.746 -6.587) 6.938 7.278 ( -6.999 0.067 4.368) 8.251 7.595 ( -20.982 -3.287 5.297) 21.889 7.746 ( -3.850 -0.039 2.062) 4.368 8.811 ( 11.608 -0.744 -5.983) 13.080 9.115 ( 11.750 2.914 0.687) 12.125 9.314 ( 5.668 3.245 -6.467) 9.191 9.697 ( 8.984 11.466 -4.584) 15.271 10.018 ( -0.163 -1.237 -3.292) 3.520 10.423 ( -2.565 -4.756 -10.850) 12.121 10.586 ( -3.629 -4.487 17.262) 18.201 11.023 ( 0.786 -5.107 14.945) 15.813 11.538 ( -15.581 -0.273 -2.812) 15.835 11.670 ( -1.295 0.642 5.258) 5.453 12.072 ( -4.281 -3.023 -1.881) 5.568 12.198 ( -5.198 -1.974 3.280) 6.455 12.763 ( 3.417 2.745 0.564) 4.420 13.105 ( 9.217 -1.223 2.328) 9.585 13.334 ( 6.154 5.140 -2.113) 8.292 13.741 ( 6.717 1.733 -7.058) 9.896 13.846 ( -1.864 1.418 -3.790) 4.455 14.079 ( 1.961 -4.933 -3.929) 6.605 14.213 ( -14.141 -1.209 1.304) 14.252 14.411 ( -1.579 -7.514 3.058) 8.265 14.838 ( 6.088 4.651 1.274) 7.767 14.962 ( -0.051 8.223 -5.996) 10.177 15.281 ( 3.984 1.941 0.625) 4.476 15.536 ( 7.147 -1.724 0.821) 7.397 15.734 ( 0.361 -2.534 0.078) 2.561 15.877 ( 0.157 -1.226 0.212) 1.254 16.160 ( -0.469 11.005 1.560) 11.124 16.510 ( 9.233 3.393 -3.406) 10.410 16.851 ( 8.428 -13.151 -1.081) 15.657 17.399 ( -1.422 10.356 -1.757) 10.600 17.653 ( 1.512 -6.059 -1.822) 6.505 17.849 ( -1.166 3.187 -1.599) 3.751 18.231 ( -0.017 1.238 -0.450) 1.318 18.461 ( -1.246 0.776 -1.243) 1.923 19.213 ( -2.744 -5.823 2.769) 7.007 19.387 ( -7.471 -1.711 -4.728) 9.006 19.694 ( -2.263 1.549 8.144) 8.594 20.867 ( -1.866 -0.730 2.778) 3.426 ======================= Grid point 96 (35/65) ======================= q-point: ( 0.38 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( -0.000 5.318 3.900) 6.595 1.353 ( -0.000 5.063 4.390) 6.701 1.527 ( -0.000 -1.801 2.473) 3.059 1.552 ( 0.000 -1.363 -0.803) 1.582 1.679 ( 0.000 0.153 -1.213) 1.223 2.028 ( -0.000 -6.755 3.611) 7.660 2.286 ( 0.000 -22.094 -1.532) 22.147 2.558 ( 0.000 -8.889 -7.981) 11.946 3.713 ( 0.000 3.970 -1.738) 4.334 3.774 ( -0.000 31.107 4.649) 31.452 4.189 ( -0.000 2.033 2.861) 3.510 4.415 ( -0.000 17.567 -4.418) 18.114 5.148 ( -0.000 15.342 25.636) 29.876 5.227 ( 0.000 15.090 -18.097) 23.563 5.986 ( -0.000 -8.003 6.764) 10.478 6.266 ( -0.000 -7.318 8.649) 11.329 6.746 ( -0.000 -6.105 2.092) 6.453 7.051 ( 0.000 2.664 -6.361) 6.896 7.097 ( -0.000 -11.493 10.329) 15.453 7.208 ( 0.000 7.449 -3.485) 8.224 7.755 ( -0.000 10.506 12.135) 16.051 8.011 ( -0.000 -4.914 14.302) 15.123 8.635 ( 0.000 2.079 -1.945) 2.847 8.926 ( 0.000 -3.380 -13.463) 13.880 9.270 ( 0.000 -1.880 -4.982) 5.325 9.401 ( 0.000 -20.647 -10.436) 23.134 10.028 ( 0.000 -6.923 -4.272) 8.135 10.544 ( -0.000 -8.631 14.850) 17.176 11.015 ( -0.000 15.881 -4.177) 16.421 11.225 ( -0.000 5.265 1.963) 5.619 11.438 ( -0.000 6.711 14.711) 16.169 11.649 ( -0.000 13.249 0.176) 13.250 12.091 ( -0.000 2.004 1.407) 2.449 12.420 ( -0.000 7.551 9.469) 12.111 12.749 ( 0.000 -1.896 -4.471) 4.857 13.143 ( 0.000 -3.825 -6.771) 7.776 13.455 ( 0.000 -19.287 -2.469) 19.444 13.489 ( 0.000 10.282 -8.764) 13.510 13.720 ( 0.000 -1.956 0.200) 1.966 13.989 ( 0.000 -13.980 1.352) 14.045 14.087 ( -0.000 4.425 -0.950) 4.526 14.492 ( -0.000 6.107 -0.272) 6.113 14.719 ( -0.000 -5.246 1.603) 5.485 15.061 ( 0.000 -9.776 0.802) 9.809 15.396 ( 0.000 -5.496 0.761) 5.548 15.488 ( 0.000 4.670 -2.415) 5.257 15.696 ( 0.000 -1.893 -4.289) 4.688 15.908 ( 0.000 -11.380 -0.724) 11.403 16.089 ( -0.000 3.092 1.918) 3.638 16.610 ( 0.000 -2.658 -0.393) 2.687 16.967 ( 0.000 2.742 -8.395) 8.831 17.061 ( 0.000 0.781 -2.334) 2.462 17.572 ( 0.000 10.678 -6.327) 12.411 17.670 ( 0.000 -3.009 -1.985) 3.605 18.217 ( 0.000 -0.848 -0.460) 0.965 18.339 ( 0.000 4.231 -1.976) 4.670 19.191 ( -0.000 2.498 3.787) 4.536 19.375 ( -0.000 6.609 3.420) 7.441 20.039 ( -0.000 -5.444 7.120) 8.963 21.025 ( -0.000 -1.231 4.619) 4.781 ======================= Grid point 97 (36/65) ======================= q-point: ( 0.50 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.371 ( 1.299 3.498 1.950) 4.211 1.434 ( 1.652 2.449 2.158) 3.658 1.534 ( 1.647 -1.416 1.936) 2.910 1.569 ( 2.431 -0.541 0.190) 2.498 1.656 ( -0.471 -0.744 -2.302) 2.465 1.965 ( 3.322 -15.738 7.537) 17.763 2.115 ( 0.497 -10.210 1.397) 10.317 2.628 ( 25.099 -11.705 -9.416) 29.251 3.707 ( -5.366 6.672 3.539) 9.264 4.026 ( -10.625 25.720 0.408) 27.831 4.224 ( 0.619 1.780 2.004) 2.751 4.581 ( -1.623 20.656 2.753) 20.901 5.193 ( -6.416 11.623 -4.077) 13.889 5.389 ( 4.134 0.917 -6.186) 7.497 6.000 ( -2.067 -1.270 11.387) 11.643 6.273 ( 5.582 -9.722 3.248) 11.672 6.707 ( -5.682 -0.009 2.543) 6.225 6.937 ( -1.931 -5.391 -0.496) 5.748 7.016 ( -2.182 -5.867 2.089) 6.599 7.414 ( 8.350 12.398 1.042) 14.983 7.885 ( -4.204 12.050 7.640) 14.875 8.047 ( 2.222 -10.203 9.240) 13.944 8.663 ( 0.367 2.859 0.721) 2.972 8.754 ( -3.998 -8.541 -9.120) 13.119 9.104 ( 0.421 -9.091 -7.444) 11.757 9.337 ( 8.732 -4.829 -6.667) 12.001 9.957 ( 0.797 -4.648 -2.231) 5.217 10.496 ( -6.502 -6.952 14.845) 17.635 11.188 ( -2.646 6.667 -0.670) 7.204 11.253 ( 1.797 7.766 1.992) 8.217 11.601 ( 2.437 6.535 8.901) 11.308 11.813 ( 3.016 8.267 0.508) 8.815 12.082 ( -1.359 3.834 -2.162) 4.606 12.466 ( -7.517 2.733 1.807) 8.200 12.735 ( -0.612 -4.551 -2.024) 5.018 12.917 ( -5.678 -1.870 -5.057) 7.830 13.331 ( -0.056 -11.899 -6.641) 13.627 13.422 ( -2.859 -0.317 -1.962) 3.482 13.784 ( -4.819 -10.497 8.402) 14.283 13.852 ( 9.537 2.332 -4.327) 10.729 14.248 ( 7.992 9.598 0.562) 12.502 14.512 ( -3.864 6.281 0.130) 7.376 14.765 ( 5.972 -3.895 0.183) 7.133 14.962 ( -0.402 -7.124 -0.941) 7.197 15.236 ( -7.510 -0.094 -4.024) 8.520 15.609 ( 5.856 -3.290 3.623) 7.632 15.629 ( -1.760 -1.363 -2.228) 3.149 15.853 ( 4.238 -5.252 0.846) 6.802 16.150 ( 5.876 -7.524 -0.375) 9.554 16.554 ( -6.151 1.621 2.324) 6.772 16.689 ( -14.419 1.933 -7.094) 16.185 17.245 ( 8.893 1.123 -3.779) 9.728 17.564 ( -2.234 4.342 -0.803) 4.948 17.700 ( 3.713 2.023 -4.507) 6.180 18.204 ( -0.091 -0.307 -0.538) 0.626 18.387 ( 2.140 3.343 -1.634) 4.293 19.244 ( 0.446 1.152 4.095) 4.277 19.469 ( 1.575 5.489 1.851) 6.003 20.002 ( -3.012 -4.679 4.469) 7.138 21.027 ( -1.333 -1.397 2.895) 3.480 ======================= Grid point 98 (37/65) ======================= q-point: ( 0.62 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( 1.002 2.935 1.120) 3.298 1.477 ( 0.350 1.066 0.471) 1.217 1.562 ( 0.742 -1.001 0.147) 1.255 1.594 ( 0.134 -0.005 -0.180) 0.225 1.642 ( 1.465 -0.023 -0.917) 1.728 2.017 ( 4.490 -6.147 8.975) 11.769 2.100 ( 10.034 -11.837 9.119) 17.998 2.946 ( 25.451 -2.786 -14.266) 29.309 3.700 ( -5.280 1.440 5.945) 8.081 4.021 ( -9.799 20.715 -4.023) 23.267 4.276 ( -0.132 2.598 0.907) 2.755 4.656 ( -8.944 8.762 -1.655) 12.630 5.133 ( -6.746 -0.723 7.829) 10.360 5.403 ( 0.754 -1.527 -3.502) 3.895 5.898 ( -10.126 -4.695 1.765) 11.300 6.268 ( -0.706 -2.133 -3.177) 3.892 6.618 ( 1.701 0.089 -1.929) 2.573 6.917 ( -0.432 -4.718 3.391) 5.827 7.000 ( 4.130 -1.943 1.182) 4.715 7.638 ( 0.016 8.469 2.615) 8.863 7.979 ( 0.031 -12.674 6.261) 14.137 8.065 ( 2.481 16.437 2.647) 16.832 8.534 ( -4.288 -5.649 -5.121) 8.748 8.711 ( 1.816 1.236 0.788) 2.334 9.065 ( 5.438 -2.196 -8.092) 9.994 9.418 ( 6.689 -0.077 -3.320) 7.468 9.917 ( -0.078 -1.343 -2.244) 2.616 10.449 ( -2.985 -8.048 18.461) 20.359 11.048 ( -10.947 -2.974 0.328) 11.349 11.375 ( -2.776 2.516 3.216) 4.937 11.660 ( -7.075 0.348 -1.600) 7.262 11.842 ( 3.012 0.232 -0.545) 3.069 12.197 ( 0.092 4.376 -4.299) 6.135 12.363 ( 2.919 12.417 -0.649) 12.772 12.687 ( 1.479 0.943 2.286) 2.881 12.870 ( -2.463 -0.958 -3.290) 4.220 13.111 ( -11.249 -3.131 -0.752) 11.701 13.397 ( 7.241 -12.629 -1.862) 14.676 13.688 ( 2.881 -7.249 -1.017) 7.866 14.013 ( 5.094 0.207 3.953) 6.452 14.435 ( -0.294 5.693 2.546) 6.244 14.587 ( 3.838 9.390 1.044) 10.198 14.772 ( 0.481 -1.610 -1.143) 2.033 14.914 ( 1.558 -0.832 -6.185) 6.433 15.179 ( 1.408 4.452 -1.048) 4.785 15.523 ( -3.789 -3.955 -1.746) 5.749 15.700 ( 2.626 -2.168 -0.315) 3.420 15.886 ( -0.025 -1.989 8.063) 8.304 16.096 ( -0.916 -7.752 -1.974) 8.051 16.423 ( -6.647 -2.060 -3.311) 7.706 16.586 ( 1.990 3.590 -1.629) 4.416 17.305 ( 1.249 0.453 -1.727) 2.179 17.605 ( 1.997 1.491 0.764) 2.607 17.752 ( 2.745 3.710 -3.472) 5.775 18.204 ( 0.368 0.523 -0.403) 0.756 18.445 ( 1.945 2.752 -1.259) 3.598 19.275 ( -0.019 -1.557 3.829) 4.133 19.552 ( 1.270 3.896 0.490) 4.127 19.911 ( -4.851 -4.072 1.800) 6.585 20.995 ( -2.282 -1.504 1.357) 3.051 ======================= Grid point 99 (38/65) ======================= q-point: (-0.25 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( -2.146 -0.414 -0.031) 2.186 1.484 ( -2.552 1.446 0.489) 2.974 1.546 ( 0.626 -0.768 -0.856) 1.310 1.599 ( 0.713 -0.005 -0.223) 0.747 1.673 ( 0.815 1.279 0.805) 1.717 2.021 ( -0.143 -1.850 0.970) 2.094 2.388 ( 20.397 -9.975 12.977) 26.152 3.095 ( 1.331 9.212 -24.520) 26.227 3.576 ( -10.666 4.944 -7.668) 14.036 4.147 ( 3.087 2.507 9.555) 10.349 4.271 ( -0.342 0.460 2.530) 2.594 4.559 ( -7.511 7.959 3.870) 11.607 4.943 ( -8.906 -26.666 1.407) 28.149 5.337 ( -1.488 6.996 1.021) 7.225 5.743 ( -8.279 -2.223 13.171) 15.715 6.298 ( 1.348 9.664 -1.791) 9.920 6.689 ( 8.037 -0.082 -6.198) 10.150 6.877 ( -3.370 -0.355 -1.181) 3.588 7.025 ( 2.425 -7.604 -2.392) 8.332 7.612 ( -8.756 0.221 4.772) 9.974 7.837 ( -2.215 -7.930 -1.325) 8.339 8.240 ( -6.768 5.742 3.962) 9.719 8.488 ( 2.622 1.893 -0.269) 3.245 8.777 ( 5.713 1.714 -0.738) 6.010 9.113 ( 5.914 4.606 -6.835) 10.144 9.493 ( 2.903 4.471 -3.315) 6.277 9.917 ( 2.796 1.440 -4.061) 5.137 10.490 ( 2.056 -12.255 21.117) 24.502 10.789 ( -11.243 -5.256 -8.497) 15.041 11.182 ( -7.947 -10.252 -1.798) 13.095 11.612 ( -3.691 5.791 8.487) 10.917 11.881 ( -1.463 1.498 -1.223) 2.425 12.197 ( 0.835 2.914 0.926) 3.169 12.531 ( -7.146 5.196 -2.216) 9.109 12.759 ( -1.338 4.994 0.678) 5.214 12.888 ( 5.044 0.699 -2.280) 5.579 12.926 ( 2.713 0.326 4.351) 5.139 13.399 ( 10.500 -11.419 -4.286) 16.094 13.696 ( 7.357 -2.956 -9.583) 12.438 14.074 ( -1.301 -0.516 5.320) 5.501 14.486 ( -2.240 1.661 2.882) 4.010 14.646 ( 0.819 -1.800 3.966) 4.431 14.768 ( -0.169 0.670 -2.260) 2.364 14.964 ( 0.754 7.255 -4.151) 8.393 15.225 ( -6.803 7.822 -0.499) 10.379 15.443 ( 1.472 -0.094 -0.786) 1.672 15.672 ( 2.815 -4.035 -2.479) 5.509 15.925 ( -0.272 -4.669 6.618) 8.104 16.042 ( 0.243 2.529 0.323) 2.561 16.321 ( 1.239 -0.214 -6.529) 6.649 16.668 ( 4.721 -2.695 1.801) 5.727 17.331 ( 2.135 2.329 -0.753) 3.248 17.634 ( 0.368 -0.224 -0.354) 0.557 17.820 ( 2.344 3.314 -1.006) 4.182 18.219 ( 0.634 1.003 -0.251) 1.213 18.484 ( 0.438 2.095 -0.760) 2.272 19.264 ( -0.825 -3.669 2.596) 4.570 19.573 ( -2.039 0.464 -1.784) 2.749 19.806 ( -4.133 -1.874 2.290) 5.083 20.946 ( -2.420 -1.371 0.946) 2.937 ======================= Grid point 100 (39/65) ======================= q-point: (-0.12 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( -4.732 -1.138 0.722) 4.920 1.415 ( -5.571 -0.727 0.891) 5.689 1.556 ( 0.144 0.857 -0.642) 1.080 1.609 ( 0.515 -0.061 -0.345) 0.623 1.698 ( -0.820 1.941 1.530) 2.604 2.011 ( 0.432 -1.083 -0.340) 1.215 2.572 ( 7.749 -4.259 -26.019) 27.480 2.959 ( -0.854 -10.234 9.664) 14.102 3.447 ( -12.257 20.839 -7.899) 25.434 4.110 ( -11.429 -12.404 0.881) 16.890 4.160 ( -5.416 -5.086 5.075) 8.998 4.576 ( -3.491 -1.786 -10.052) 10.790 4.827 ( 10.515 5.043 25.309) 27.867 5.494 ( 3.347 6.085 6.889) 9.782 5.680 ( -6.027 -1.803 7.394) 9.708 6.394 ( -1.107 8.890 -0.590) 8.979 6.735 ( -8.388 -9.417 -6.208) 14.056 6.795 ( 5.092 -1.919 0.162) 5.444 6.884 ( 2.399 -4.346 -5.538) 7.437 7.499 ( -10.195 1.430 5.996) 11.914 7.779 ( -2.236 0.265 0.122) 2.255 8.008 ( -18.701 -0.645 3.008) 18.952 8.587 ( 8.425 -1.353 0.648) 8.557 8.924 ( 8.926 0.936 -4.156) 9.890 9.236 ( 4.288 7.338 -4.243) 9.499 9.631 ( 9.302 7.137 -1.944) 11.885 9.962 ( 2.963 1.641 -3.214) 4.669 10.372 ( -8.778 -8.885 -11.634) 17.069 10.624 ( 2.879 -11.590 15.442) 19.521 11.040 ( -1.211 -7.200 5.709) 9.268 11.684 ( -2.262 1.616 5.967) 6.583 11.806 ( -6.785 2.404 0.237) 7.202 12.184 ( -6.622 0.230 2.424) 7.056 12.366 ( -14.147 3.491 2.035) 14.713 12.704 ( 3.521 -1.200 -0.309) 3.733 13.010 ( 5.632 2.544 2.055) 6.513 13.167 ( 12.837 0.901 -1.127) 12.918 13.476 ( 13.105 -6.853 -12.162) 19.147 13.768 ( 6.487 6.908 -5.636) 11.025 14.053 ( -1.976 -2.863 2.798) 4.464 14.399 ( -6.110 -3.406 0.616) 7.022 14.559 ( -16.366 1.190 -1.107) 16.446 14.810 ( 3.626 4.348 2.636) 6.245 14.986 ( 1.623 3.771 2.330) 4.720 15.239 ( 3.175 3.578 -3.367) 5.850 15.499 ( 0.910 4.541 1.406) 4.840 15.665 ( 2.094 -7.458 -1.041) 7.816 15.874 ( -1.754 -3.429 0.014) 3.851 16.145 ( 6.500 -1.454 0.435) 6.675 16.367 ( 6.458 2.589 -3.644) 7.855 16.721 ( 2.152 2.842 1.279) 3.788 17.408 ( 4.210 1.427 -1.389) 4.657 17.616 ( -1.592 0.081 -1.020) 1.892 17.868 ( 0.627 1.973 -0.885) 2.251 18.234 ( 0.207 0.477 -0.565) 0.768 18.487 ( -1.228 0.744 -0.650) 1.576 19.216 ( -1.764 -3.435 0.846) 3.953 19.462 ( -6.069 -3.445 -1.676) 7.178 19.788 ( -1.249 1.588 4.622) 5.045 20.908 ( -1.628 -0.962 1.939) 2.708 ======================= Grid point 105 (40/65) ======================= q-point: ( 0.50 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( -0.000 1.117 0.034) 1.118 1.446 ( -0.000 -1.859 4.827) 5.173 1.528 ( -0.000 -0.399 0.807) 0.901 1.540 ( -0.000 0.038 3.891) 3.891 1.631 ( 0.000 -3.085 -0.195) 3.091 1.838 ( -0.000 -14.917 14.083) 20.515 2.074 ( -0.000 -4.071 2.039) 4.554 2.235 ( 0.000 -8.664 -2.920) 9.143 3.797 ( 0.000 4.210 -1.496) 4.468 4.229 ( -0.000 3.902 0.585) 3.946 4.507 ( -0.000 23.177 9.176) 24.928 4.731 ( 0.000 21.662 -14.135) 25.866 5.282 ( 0.000 -11.884 -1.295) 11.954 5.292 ( 0.000 13.298 -12.363) 18.157 6.083 ( 0.000 -15.294 3.846) 15.770 6.174 ( -0.000 4.555 6.997) 8.349 6.792 ( -0.000 1.826 6.707) 6.952 6.874 ( 0.000 -4.752 -6.288) 7.882 7.029 ( -0.000 -9.169 7.314) 11.729 7.426 ( 0.000 13.570 -3.799) 14.091 7.983 ( -0.000 -12.686 9.352) 15.760 8.077 ( -0.000 12.601 1.222) 12.660 8.686 ( 0.000 -3.305 -3.494) 4.809 8.695 ( -0.000 2.012 1.780) 2.686 8.976 ( 0.000 -9.526 -2.887) 9.954 9.119 ( 0.000 -7.486 -4.818) 8.902 9.894 ( 0.000 -3.298 -0.536) 3.342 10.590 ( -0.000 -8.374 13.861) 16.195 11.262 ( 0.000 12.188 -3.951) 12.813 11.339 ( -0.000 4.578 1.613) 4.854 11.649 ( -0.000 1.783 4.319) 4.673 11.869 ( -0.000 3.382 -0.515) 3.421 12.121 ( 0.000 7.285 -7.303) 10.315 12.566 ( 0.000 1.856 -7.178) 7.414 12.680 ( -0.000 -3.348 1.529) 3.680 12.991 ( -0.000 -3.235 3.052) 4.447 13.033 ( 0.000 -9.964 -7.562) 12.509 13.614 ( -0.000 6.244 0.614) 6.274 13.669 ( 0.000 -4.327 -2.118) 4.818 13.814 ( -0.000 -10.210 12.297) 15.983 14.252 ( -0.000 10.863 -0.148) 10.864 14.610 ( 0.000 7.287 -3.788) 8.213 14.686 ( -0.000 0.675 2.013) 2.123 14.916 ( 0.000 -2.751 -3.465) 4.424 15.294 ( 0.000 -7.765 1.644) 7.937 15.537 ( -0.000 0.187 2.496) 2.503 15.598 ( 0.000 -13.456 -2.725) 13.729 15.691 ( -0.000 4.267 -0.105) 4.269 16.080 ( -0.000 -6.154 2.446) 6.622 16.596 ( 0.000 -0.218 -1.963) 1.975 16.904 ( 0.000 3.889 -5.292) 6.567 17.114 ( -0.000 3.917 0.438) 3.941 17.585 ( 0.000 -3.027 -0.107) 3.029 17.682 ( 0.000 6.901 -3.201) 7.607 18.195 ( 0.000 -0.541 -0.337) 0.637 18.389 ( 0.000 2.922 -1.109) 3.125 19.286 ( -0.000 1.137 4.257) 4.406 19.505 ( -0.000 3.545 -0.069) 3.546 20.006 ( -0.000 -4.648 1.957) 5.043 21.039 ( -0.000 -1.710 1.274) 2.132 ======================= Grid point 106 (41/65) ======================= q-point: ( 0.62 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.424 ( 2.906 0.704 0.230) 2.999 1.470 ( 1.372 -1.393 1.714) 2.600 1.539 ( 0.756 -0.480 0.780) 1.188 1.585 ( 0.899 0.126 -0.273) 0.948 1.625 ( 0.905 -0.232 4.012) 4.119 1.901 ( 6.125 -10.482 26.821) 29.441 2.044 ( -0.780 -2.560 1.575) 3.105 2.416 ( 23.830 0.228 2.209) 23.934 3.763 ( -4.371 -0.921 -4.848) 6.592 4.271 ( 0.617 1.440 0.169) 1.576 4.529 ( -17.329 20.960 -4.709) 27.601 4.771 ( -5.173 6.803 -15.941) 18.088 5.150 ( -1.222 -12.575 3.362) 13.074 5.398 ( 4.250 7.598 -5.450) 10.270 6.007 ( 1.300 -4.153 2.012) 4.794 6.172 ( 1.107 -5.370 -2.890) 6.198 6.665 ( -10.507 0.457 -3.093) 10.962 6.899 ( 0.716 -4.698 3.966) 6.190 6.972 ( -0.187 -1.500 4.601) 4.843 7.625 ( 9.215 6.992 -2.946) 11.937 7.900 ( -1.526 -12.527 6.064) 14.001 8.197 ( 1.518 11.113 -1.123) 11.272 8.574 ( -8.172 -0.171 -0.808) 8.213 8.712 ( -0.330 -0.547 2.227) 2.317 8.929 ( 3.421 -0.898 -1.602) 3.883 9.201 ( 14.236 -2.865 1.286) 14.578 9.880 ( 0.801 -0.936 -0.417) 1.301 10.548 ( -4.027 -10.299 14.045) 17.876 11.211 ( -10.086 1.755 -5.822) 11.777 11.428 ( -0.469 1.945 -0.459) 2.053 11.688 ( 1.189 -0.217 -5.141) 5.282 11.809 ( 0.095 -2.474 -1.635) 2.967 12.191 ( 2.199 11.413 -5.113) 12.698 12.483 ( -3.464 1.141 -4.428) 5.737 12.665 ( 3.124 -2.161 2.204) 4.392 12.888 ( -4.374 0.485 -3.566) 5.664 13.046 ( 3.935 -4.287 -1.312) 5.965 13.465 ( -11.620 1.483 3.777) 12.308 13.631 ( -5.336 -7.355 3.567) 9.762 13.943 ( 8.526 0.590 9.828) 13.025 14.441 ( 6.730 3.194 1.309) 7.563 14.648 ( 1.753 8.236 -3.344) 9.061 14.735 ( 0.443 3.060 0.116) 3.094 14.861 ( -0.490 -0.560 -4.242) 4.307 15.177 ( -0.446 -5.289 -0.081) 5.308 15.483 ( 0.128 -4.315 -1.094) 4.453 15.637 ( 3.941 -0.873 2.152) 4.575 15.812 ( 8.866 0.837 1.161) 8.981 16.017 ( -2.080 -6.467 5.207) 8.560 16.507 ( -5.929 -1.795 -8.216) 10.289 16.767 ( -12.510 6.997 1.207) 14.385 17.242 ( 5.546 0.953 -0.076) 5.628 17.587 ( 1.765 -0.236 1.488) 2.321 17.737 ( 1.626 4.580 -1.788) 5.178 18.196 ( 0.612 0.145 -0.126) 0.641 18.426 ( 1.884 2.147 -0.632) 2.925 19.306 ( -1.533 -0.891 3.983) 4.360 19.544 ( 2.099 1.370 -1.371) 2.858 19.941 ( -2.588 -4.111 -0.735) 4.913 21.013 ( -1.162 -1.884 -0.258) 2.229 ======================= Grid point 107 (42/65) ======================= q-point: (-0.25 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( 0.256 -1.825 -0.481) 1.905 1.496 ( 2.107 -1.086 -0.581) 2.441 1.535 ( -0.679 0.047 0.194) 0.708 1.593 ( 0.202 0.322 0.285) 0.475 1.675 ( 1.415 1.717 1.134) 2.497 2.018 ( -0.671 -1.824 1.177) 2.272 2.175 ( 9.688 -5.750 27.522) 29.738 2.928 ( 18.415 13.481 -4.855) 23.333 3.562 ( -1.564 -10.503 -6.880) 12.653 4.261 ( -1.936 0.238 -1.353) 2.374 4.374 ( -9.855 8.683 -6.197) 14.523 4.669 ( -3.961 7.212 -8.648) 11.937 4.878 ( -12.108 -24.563 4.393) 27.736 5.423 ( -0.773 5.063 -3.289) 6.087 5.990 ( -2.557 -3.330 1.734) 4.543 6.255 ( 9.784 4.099 0.244) 10.611 6.558 ( -3.021 5.388 -1.358) 6.325 6.872 ( 1.067 -3.243 -0.613) 3.469 6.969 ( -2.527 -4.742 2.424) 5.895 7.690 ( -0.938 -4.439 -2.322) 5.097 7.805 ( -1.090 -4.263 1.320) 4.593 8.295 ( 2.019 -4.390 -0.971) 4.929 8.506 ( -0.322 5.929 -0.880) 6.003 8.739 ( 1.356 2.899 2.658) 4.160 9.035 ( 6.194 6.485 -0.439) 8.979 9.434 ( 7.739 3.332 2.245) 8.720 9.887 ( 0.311 1.819 -1.216) 2.210 10.477 ( -1.410 -14.896 15.833) 21.784 10.924 ( -15.285 -1.385 -13.588) 20.499 11.190 ( -10.533 -7.542 -6.087) 14.314 11.755 ( 2.522 4.612 -1.318) 5.419 11.837 ( 2.941 -2.398 2.104) 4.339 12.246 ( -0.625 2.913 -1.940) 3.555 12.533 ( 8.137 -0.467 -1.813) 8.350 12.754 ( 4.180 -2.829 0.901) 5.127 12.812 ( -1.188 6.954 1.945) 7.318 13.055 ( -0.531 0.252 -4.902) 4.938 13.278 ( -13.699 1.053 5.248) 14.707 13.571 ( 2.112 1.326 0.534) 2.550 14.095 ( 1.909 -1.109 4.087) 4.645 14.499 ( 1.227 -2.875 1.581) 3.503 14.669 ( -0.649 -1.673 3.266) 3.727 14.762 ( -0.227 1.961 -2.348) 3.068 14.958 ( 6.232 9.514 -3.964) 12.044 15.223 ( 10.181 -5.586 -0.321) 11.618 15.449 ( -3.567 2.701 -0.596) 4.514 15.636 ( -2.447 -0.180 -0.110) 2.456 15.939 ( -0.013 -3.342 4.569) 5.661 16.025 ( 3.846 0.778 3.183) 5.053 16.309 ( -5.641 1.126 -6.741) 8.862 16.682 ( -4.056 2.799 1.263) 5.087 17.316 ( 1.907 2.193 0.653) 2.978 17.622 ( 1.040 -0.203 0.589) 1.213 17.808 ( 2.368 3.266 0.228) 4.041 18.215 ( 0.808 0.716 0.198) 1.098 18.477 ( 1.887 1.311 -0.179) 2.305 19.273 ( -2.212 -2.840 1.871) 4.058 19.563 ( 0.713 -1.992 -1.599) 2.652 19.850 ( -2.441 -2.087 -1.270) 3.454 20.966 ( -1.490 -1.794 -0.782) 2.460 ======================= Grid point 108 (43/65) ======================= q-point: (-0.12 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( -1.142 -1.978 -0.000) 2.284 1.466 ( -1.760 -3.048 -0.000) 3.519 1.555 ( 0.862 1.494 -0.000) 1.725 1.601 ( 0.187 0.324 -0.000) 0.374 1.719 ( 1.003 1.738 -0.000) 2.007 2.001 ( -0.432 -0.749 -0.000) 0.864 2.372 ( 0.562 0.973 0.000) 1.124 2.932 ( -3.884 -6.728 -0.000) 7.769 3.699 ( 6.336 10.975 -0.000) 12.673 4.146 ( -14.796 -25.628 -0.000) 29.592 4.229 ( -2.014 -3.489 0.000) 4.028 4.460 ( 2.439 4.224 -0.000) 4.877 4.829 ( 6.171 10.688 0.000) 12.341 5.508 ( 4.306 7.458 -0.000) 8.612 5.892 ( -4.096 -7.095 0.000) 8.192 6.420 ( 2.565 4.443 -0.000) 5.130 6.628 ( 2.796 4.843 0.000) 5.593 6.768 ( -6.050 -10.479 -0.000) 12.101 6.859 ( -2.565 -4.443 -0.000) 5.131 7.636 ( -1.229 -2.129 -0.000) 2.458 7.797 ( 2.177 3.771 0.000) 4.355 8.174 ( -5.146 -8.913 -0.000) 10.292 8.542 ( 0.107 0.184 -0.000) 0.213 8.832 ( 1.638 2.837 -0.000) 3.276 9.236 ( 5.728 9.921 -0.000) 11.456 9.534 ( 1.880 3.256 -0.000) 3.760 9.934 ( 2.465 4.269 -0.000) 4.929 10.369 ( -8.070 -13.977 -0.000) 16.140 10.567 ( -4.658 -8.068 0.000) 9.316 11.030 ( -1.037 -1.796 -0.000) 2.073 11.754 ( -1.471 -2.548 -0.000) 2.942 11.870 ( -0.109 -0.188 -0.000) 0.218 12.266 ( 0.790 1.368 0.000) 1.580 12.577 ( 0.871 1.508 -0.000) 1.741 12.772 ( -7.524 -13.032 -0.000) 15.048 12.901 ( 2.623 4.543 0.000) 5.246 12.978 ( 3.766 6.522 -0.000) 7.531 13.244 ( 2.287 3.961 -0.000) 4.574 13.729 ( 6.855 11.873 0.000) 13.709 14.065 ( -2.220 -3.846 -0.000) 4.441 14.441 ( -2.775 -4.806 -0.000) 5.549 14.710 ( 1.245 2.156 -0.000) 2.490 14.825 ( 2.855 4.946 -0.000) 5.711 15.027 ( -0.127 -0.220 -0.000) 0.254 15.224 ( -3.411 -5.909 -0.000) 6.823 15.507 ( 4.613 7.990 0.000) 9.226 15.584 ( -2.559 -4.433 -0.000) 5.119 15.870 ( -2.343 -4.057 -0.000) 4.685 16.055 ( -1.274 -2.207 -0.000) 2.548 16.318 ( 3.049 5.281 -0.000) 6.098 16.736 ( 4.173 7.227 -0.000) 8.345 17.362 ( 0.632 1.095 -0.000) 1.264 17.633 ( 0.278 0.481 -0.000) 0.556 17.867 ( 1.011 1.752 -0.000) 2.022 18.232 ( 0.153 0.266 -0.000) 0.307 18.500 ( -0.117 -0.203 -0.000) 0.234 19.218 ( -1.312 -2.273 -0.000) 2.624 19.492 ( -3.086 -5.346 0.000) 6.173 19.824 ( 0.401 0.695 -0.000) 0.803 20.925 ( -0.835 -1.446 -0.000) 1.670 ======================= Grid point 115 (44/65) ======================= q-point: (-0.38 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( -0.000 0.120 0.152) 0.194 1.445 ( -0.000 -3.651 1.924) 4.127 1.533 ( -0.000 -0.456 0.814) 0.933 1.577 ( -0.000 -0.347 0.982) 1.041 1.652 ( -0.000 1.174 2.337) 2.616 2.002 ( -0.000 -5.434 28.563) 29.075 2.066 ( -0.000 0.136 13.708) 13.709 2.277 ( -0.000 6.757 11.308) 13.173 3.763 ( 0.000 -0.593 -8.921) 8.941 4.248 ( 0.000 -4.281 -0.248) 4.289 4.681 ( 0.000 -7.217 -16.094) 17.638 4.789 ( 0.000 8.126 -23.374) 24.746 5.141 ( -0.000 -2.062 8.209) 8.464 5.351 ( 0.000 9.667 -8.186) 12.667 5.930 ( -0.000 -5.307 4.020) 6.657 6.036 ( 0.000 -7.444 -12.014) 14.133 6.822 ( 0.000 3.430 -1.078) 3.596 6.838 ( 0.000 -4.738 0.006) 4.738 7.008 ( -0.000 -3.984 11.374) 12.052 7.533 ( 0.000 1.608 -5.128) 5.374 7.847 ( -0.000 -9.432 5.207) 10.773 8.196 ( 0.000 -2.408 -7.343) 7.728 8.713 ( 0.000 -0.089 -0.400) 0.410 8.750 ( -0.000 6.994 3.770) 7.945 8.970 ( -0.000 3.031 0.607) 3.091 9.012 ( -0.000 5.605 11.082) 12.419 9.880 ( -0.000 1.903 0.925) 2.116 10.558 ( -0.000 -12.994 11.590) 17.412 11.252 ( 0.000 -2.038 -14.283) 14.427 11.445 ( -0.000 -1.766 4.305) 4.653 11.664 ( 0.000 0.758 -20.321) 20.335 11.678 ( -0.000 -2.973 2.207) 3.703 12.260 ( 0.000 5.218 -2.494) 5.783 12.461 ( 0.000 1.108 -9.345) 9.410 12.562 ( -0.000 -4.005 2.361) 4.649 12.989 ( -0.000 1.135 1.600) 1.962 13.022 ( -0.000 8.693 -1.347) 8.796 13.545 ( -0.000 -4.462 2.921) 5.333 13.795 ( -0.000 2.073 9.428) 9.653 13.921 ( -0.000 -0.802 14.695) 14.717 14.376 ( -0.000 1.638 1.352) 2.123 14.647 ( 0.000 3.476 -6.098) 7.019 14.766 ( 0.000 -3.714 -0.053) 3.715 14.835 ( 0.000 0.347 -4.895) 4.907 15.115 ( 0.000 -1.625 0.200) 1.638 15.483 ( -0.000 3.360 -0.137) 3.362 15.582 ( -0.000 -0.972 3.403) 3.540 15.773 ( -0.000 1.452 1.467) 2.064 16.042 ( -0.000 -1.256 6.996) 7.108 16.478 ( 0.000 -1.170 -9.908) 9.977 17.005 ( -0.000 5.963 2.129) 6.331 17.158 ( 0.000 -0.476 -0.032) 0.477 17.593 ( -0.000 1.523 3.911) 4.197 17.751 ( 0.000 3.013 -1.089) 3.204 18.191 ( -0.000 0.367 0.012) 0.367 18.424 ( -0.000 1.318 0.091) 1.321 19.347 ( -0.000 -2.070 5.485) 5.862 19.502 ( 0.000 -1.203 -3.585) 3.782 19.905 ( 0.000 -3.834 -4.023) 5.558 20.994 ( 0.000 -2.161 -1.905) 2.881 ======================= Grid point 116 (45/65) ======================= q-point: (-0.25 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( 1.369 -3.359 -0.340) 3.643 1.425 ( 2.097 -3.808 -0.923) 4.444 1.543 ( 0.149 0.246 0.784) 0.835 1.593 ( 0.994 0.008 1.271) 1.614 1.672 ( 0.692 0.691 -0.106) 0.983 2.027 ( -0.828 -1.102 2.067) 2.484 2.324 ( 0.362 0.932 41.779) 41.791 2.703 ( 23.289 12.639 13.504) 29.741 3.521 ( -13.985 -6.268 -17.363) 23.159 4.191 ( 4.429 -9.681 -5.809) 12.128 4.404 ( -5.627 -5.723 -11.853) 14.315 4.696 ( 0.774 -6.048 -13.118) 14.466 4.997 ( -11.743 -3.518 -1.699) 12.375 5.432 ( 1.048 8.224 -6.285) 10.404 5.808 ( -1.309 -8.444 -8.289) 11.905 6.128 ( 13.193 3.883 1.876) 13.880 6.768 ( -3.101 4.308 0.615) 5.344 6.821 ( -2.367 -0.723 0.721) 2.578 7.007 ( -3.883 -7.233 8.854) 12.074 7.540 ( 5.634 -7.287 -6.758) 11.424 7.794 ( -0.681 -3.705 1.788) 4.170 8.082 ( 5.067 -15.686 -6.651) 17.775 8.642 ( -7.204 5.459 -1.451) 9.154 8.843 ( -2.476 9.929 5.296) 11.523 9.043 ( 2.508 8.595 6.098) 10.833 9.352 ( 12.357 10.131 7.271) 17.556 9.921 ( -0.360 4.407 1.353) 4.624 10.468 ( -2.929 -14.989 12.467) 19.715 10.995 ( -9.480 -3.688 -21.985) 24.224 11.288 ( -8.981 -7.488 -5.242) 12.815 11.647 ( 5.056 4.172 -7.116) 9.675 11.740 ( 6.987 -4.207 -0.793) 8.194 12.232 ( -0.169 -4.649 -1.813) 4.993 12.364 ( 0.718 -5.780 -3.136) 6.615 12.670 ( 5.031 3.006 -0.587) 5.890 12.978 ( -5.190 7.154 3.194) 9.398 13.096 ( -0.952 10.763 -3.434) 11.337 13.531 ( -3.466 2.464 6.013) 7.365 13.731 ( -11.983 1.435 11.525) 16.687 14.051 ( 3.810 -1.041 4.372) 5.892 14.447 ( 3.142 -4.159 1.610) 5.455 14.589 ( 0.440 -10.080 -2.832) 10.480 14.795 ( -0.550 2.989 -0.930) 3.178 14.823 ( 10.592 -0.273 -0.181) 10.597 15.148 ( -0.912 7.931 -1.487) 8.120 15.479 ( -1.755 2.279 -1.286) 3.151 15.683 ( 2.120 2.255 3.173) 4.432 15.860 ( 7.780 1.205 2.212) 8.177 16.074 ( -2.049 1.949 5.145) 5.871 16.375 ( -3.708 2.602 -6.638) 8.036 16.860 ( -13.618 -0.108 0.999) 13.655 17.292 ( 6.837 3.582 1.449) 7.853 17.627 ( -1.392 0.511 2.784) 3.155 17.799 ( 2.726 2.358 0.778) 3.687 18.208 ( 1.039 0.825 0.363) 1.375 18.452 ( 1.736 0.481 0.523) 1.876 19.309 ( -3.895 -3.720 2.449) 5.917 19.490 ( 2.913 -4.049 -1.555) 5.225 19.827 ( -0.554 -2.509 -5.602) 6.163 20.950 ( -0.490 -2.163 -2.591) 3.410 ======================= Grid point 124 (46/65) ======================= q-point: (-0.25 -0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( 0.000 -5.954 -1.459) 6.130 1.348 ( 0.000 -6.734 -1.001) 6.808 1.558 ( -0.000 1.191 1.146) 1.653 1.576 ( -0.000 -2.415 1.231) 2.711 1.663 ( 0.000 -0.429 -1.467) 1.529 2.046 ( -0.000 -0.115 1.794) 1.798 2.650 ( -0.000 6.463 10.151) 12.034 2.694 ( -0.000 -0.003 49.226) 49.226 3.611 ( 0.000 5.917 -12.025) 13.402 3.815 ( 0.000 -17.933 -25.286) 30.999 4.386 ( 0.000 -1.622 -8.924) 9.071 4.447 ( 0.000 -6.662 -18.475) 19.639 4.908 ( 0.000 -27.561 0.523) 27.566 5.534 ( -0.000 11.391 0.021) 11.391 5.911 ( 0.000 4.381 -5.333) 6.902 5.912 ( -0.000 1.242 3.716) 3.918 6.714 ( 0.000 -2.754 -5.977) 6.581 6.923 ( 0.000 9.216 -4.134) 10.101 7.058 ( -0.000 -12.033 17.307) 21.079 7.353 ( 0.000 -7.892 -7.741) 11.055 7.772 ( 0.000 -3.211 0.084) 3.212 7.786 ( 0.000 -19.983 -10.364) 22.510 8.767 ( -0.000 4.131 4.901) 6.410 9.014 ( -0.000 15.282 -1.340) 15.340 9.203 ( -0.000 10.529 4.499) 11.449 9.398 ( -0.000 13.089 14.178) 19.296 9.990 ( -0.000 4.952 2.065) 5.366 10.443 ( -0.000 -12.531 12.648) 17.804 10.854 ( 0.000 -8.226 -23.818) 25.198 11.201 ( 0.000 -3.941 -16.702) 17.161 11.572 ( -0.000 -11.769 3.353) 12.238 11.660 ( 0.000 8.480 -6.682) 10.796 12.147 ( -0.000 -11.754 4.248) 12.498 12.296 ( 0.000 -5.722 -6.395) 8.581 12.687 ( -0.000 8.119 0.453) 8.131 13.140 ( 0.000 7.489 -4.549) 8.763 13.171 ( -0.000 11.191 3.199) 11.640 13.646 ( -0.000 4.943 8.710) 10.015 13.844 ( -0.000 -4.807 2.275) 5.318 14.105 ( -0.000 -0.001 9.182) 9.182 14.293 ( 0.000 -15.841 1.194) 15.886 14.579 ( 0.000 -0.923 -7.417) 7.474 14.686 ( -0.000 3.530 6.704) 7.577 14.826 ( -0.000 3.452 0.343) 3.469 15.245 ( -0.000 7.114 -1.047) 7.190 15.605 ( -0.000 0.513 2.426) 2.480 15.651 ( -0.000 12.558 -1.118) 12.607 15.807 ( -0.000 -0.071 2.934) 2.935 16.112 ( 0.000 -2.695 -1.413) 3.043 16.418 ( -0.000 7.614 -0.684) 7.645 17.131 ( -0.000 -1.125 0.762) 1.359 17.135 ( -0.000 3.315 2.553) 4.184 17.716 ( -0.000 2.918 5.375) 6.116 17.769 ( 0.000 -0.298 -0.540) 0.617 18.207 ( -0.000 0.950 0.196) 0.970 18.444 ( -0.000 -0.154 1.087) 1.098 19.358 ( -0.000 -5.511 7.098) 8.986 19.367 ( 0.000 -5.395 -5.604) 7.779 19.753 ( 0.000 -2.295 -8.359) 8.669 20.909 ( 0.000 -2.225 -3.413) 4.074 ======================= Grid point 153 (47/65) ======================= q-point: ( 0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( -0.000 0.000 13.180) 13.180 1.038 ( -0.000 0.000 13.180) 13.180 1.591 ( 0.000 -0.000 -0.435) 0.435 1.591 ( 0.000 -0.000 -0.435) 0.435 1.617 ( -0.000 0.000 8.951) 8.951 2.093 ( -0.000 0.000 3.860) 3.860 2.523 ( -0.000 0.000 10.265) 10.265 2.523 ( -0.000 0.000 10.265) 10.265 3.479 ( 0.000 -0.000 -14.035) 14.035 3.479 ( 0.000 -0.000 -14.035) 14.035 4.267 ( -0.000 0.000 50.826) 50.826 4.508 ( 0.000 -0.000 -25.745) 25.745 4.552 ( 0.000 -0.000 -7.157) 7.157 4.552 ( 0.000 -0.000 -7.157) 7.157 6.339 ( -0.000 0.000 6.733) 6.733 6.339 ( -0.000 0.000 6.733) 6.733 6.580 ( -0.000 0.000 1.173) 1.173 7.086 ( -0.000 0.000 1.370) 1.370 7.086 ( -0.000 0.000 1.370) 1.370 7.525 ( -0.000 0.000 5.355) 5.355 7.525 ( -0.000 0.000 5.355) 5.355 7.757 ( -0.000 0.000 26.828) 26.828 8.770 ( 0.000 -0.000 -5.798) 5.798 8.770 ( 0.000 -0.000 -5.798) 5.798 9.431 ( 0.000 -0.000 -9.489) 9.489 10.208 ( 0.000 -0.000 -9.740) 9.740 10.208 ( 0.000 -0.000 -9.740) 9.740 10.482 ( 0.000 -0.000 -8.015) 8.015 10.821 ( 0.000 -0.000 -4.893) 4.893 11.045 ( -0.000 0.000 25.609) 25.609 11.045 ( -0.000 0.000 25.609) 25.609 11.320 ( 0.000 -0.000 -0.399) 0.399 12.090 ( -0.000 0.000 2.065) 2.065 12.090 ( -0.000 0.000 2.065) 2.065 12.796 ( 0.000 -0.000 -4.710) 4.710 12.918 ( 0.000 -0.000 -0.337) 0.337 13.666 ( 0.000 -0.000 -7.579) 7.579 13.666 ( 0.000 -0.000 -7.579) 7.579 14.060 ( -0.000 0.000 15.190) 15.190 14.101 ( 0.000 -0.000 -4.809) 4.809 14.101 ( 0.000 -0.000 -4.809) 4.809 14.853 ( 0.000 0.000 -0.325) 0.325 14.853 ( 0.000 0.000 -0.325) 0.325 15.097 ( 0.000 -0.000 -11.966) 11.966 15.555 ( -0.000 0.000 0.606) 0.606 15.555 ( -0.000 0.000 0.606) 0.606 15.726 ( 0.000 -0.000 -5.550) 5.550 15.995 ( -0.000 0.000 2.603) 2.603 15.995 ( -0.000 0.000 2.603) 2.603 16.502 ( 0.000 -0.000 -13.493) 13.493 16.938 ( -0.000 0.000 4.703) 4.703 17.249 ( 0.000 -0.000 -8.108) 8.108 17.249 ( 0.000 -0.000 -8.108) 8.108 17.720 ( 0.000 -0.000 -0.047) 0.047 18.228 ( 0.000 0.000 -0.134) 0.134 18.228 ( 0.000 0.000 -0.134) 0.134 19.133 ( -0.000 0.000 5.204) 5.204 19.133 ( -0.000 0.000 5.204) 5.204 20.171 ( -0.000 0.000 6.314) 6.314 21.028 ( -0.000 0.000 6.213) 6.213 ======================= Grid point 154 (48/65) ======================= q-point: ( 0.38 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.166 ( 3.922 2.264 7.642) 8.883 1.236 ( 7.651 4.417 5.809) 10.573 1.571 ( -0.615 -0.355 1.423) 1.591 1.593 ( 0.009 0.005 -0.398) 0.398 1.659 ( 0.224 0.129 1.013) 1.045 2.111 ( -1.085 -0.626 4.904) 5.062 2.625 ( 3.323 1.919 5.276) 6.524 2.809 ( 15.905 9.183 4.159) 18.830 3.161 ( -8.682 -5.013 -5.421) 11.397 3.638 ( 11.573 6.681 -6.760) 14.975 4.135 ( -9.405 -5.430 -8.228) 13.625 4.401 ( -5.892 -3.402 23.391) 24.360 4.548 ( 4.390 2.535 -14.278) 15.151 4.992 ( 19.722 11.387 8.265) 24.227 6.201 ( -7.904 -4.563 12.086) 15.145 6.416 ( 0.106 0.061 3.481) 3.484 6.744 ( 5.502 3.176 -2.849) 6.962 6.970 ( -3.686 -2.128 1.239) 4.433 7.124 ( -0.201 -0.116 -6.903) 6.907 7.475 ( -7.141 -4.123 12.861) 15.278 7.506 ( -2.596 -1.499 8.333) 8.856 8.049 ( 6.684 3.859 20.618) 22.015 8.649 ( -2.630 -1.518 -2.657) 4.035 8.872 ( 4.788 2.764 -5.340) 7.687 9.328 ( -1.634 -0.943 -10.085) 10.260 9.879 ( -14.742 -8.512 -10.245) 19.868 10.089 ( -3.237 -1.869 -8.487) 9.273 10.697 ( 14.306 8.260 -7.584) 18.177 10.768 ( -1.348 -0.778 -2.434) 2.889 11.102 ( -3.766 -2.175 24.373) 24.758 11.267 ( 0.784 0.453 13.027) 13.059 11.453 ( 9.495 5.482 5.942) 12.470 12.011 ( -2.623 -1.514 1.082) 3.216 12.273 ( 6.692 3.864 5.863) 9.700 12.790 ( 2.847 1.644 -4.620) 5.671 13.028 ( 7.973 4.603 -0.853) 9.246 13.397 ( -14.984 -8.651 -14.921) 22.847 13.689 ( 3.417 1.973 -4.553) 6.024 13.937 ( -5.638 -3.255 2.730) 7.059 14.087 ( -8.828 -5.097 6.194) 11.928 14.116 ( 1.960 1.132 -5.675) 6.110 14.530 ( -10.141 -5.855 3.650) 12.265 14.856 ( -0.415 -0.239 -1.071) 1.173 15.253 ( 3.041 1.755 -11.452) 11.978 15.443 ( -0.051 -0.029 2.815) 2.816 15.487 ( -4.689 -2.707 0.554) 5.443 15.764 ( 2.804 1.619 0.562) 3.286 15.954 ( -4.077 -2.354 2.508) 5.335 16.076 ( 0.668 0.386 -0.222) 0.803 16.516 ( 7.401 4.273 -12.119) 14.829 16.891 ( -5.392 -3.113 -1.767) 6.472 17.214 ( -1.024 -0.591 -6.246) 6.357 17.260 ( 7.647 4.415 -4.950) 10.123 17.730 ( 1.013 0.585 -1.642) 2.016 18.213 ( -0.753 -0.435 -0.084) 0.873 18.277 ( 3.521 2.033 -1.033) 4.195 19.175 ( 1.855 1.071 5.272) 5.691 19.229 ( 3.613 2.086 4.209) 5.926 20.152 ( -4.997 -2.885 6.907) 9.000 21.051 ( -1.467 -0.847 5.516) 5.770 ======================= Grid point 155 (49/65) ======================= q-point: ( 0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( 3.257 1.880 2.786) 4.680 1.399 ( 4.232 2.444 1.757) 5.193 1.583 ( 0.513 0.296 1.237) 1.371 1.585 ( -0.405 -0.234 -0.535) 0.711 1.658 ( 0.455 0.262 -2.534) 2.588 2.111 ( -1.620 -0.936 3.933) 4.355 2.572 ( -4.215 -2.434 -8.506) 9.800 3.117 ( 7.922 4.574 -1.845) 9.332 3.202 ( 5.233 3.021 15.716) 16.837 3.949 ( 17.526 10.119 -6.269) 21.186 3.970 ( -1.334 -0.770 -1.832) 2.393 4.418 ( -5.239 -3.025 18.507) 19.470 4.585 ( 6.250 3.608 -5.892) 9.316 5.352 ( 10.440 6.028 -7.025) 13.953 6.248 ( 0.442 0.255 14.102) 14.111 6.365 ( -6.486 -3.745 2.404) 7.866 6.589 ( -8.226 -4.749 -6.967) 11.780 7.056 ( -0.770 -0.445 -6.154) 6.218 7.064 ( 7.248 4.184 3.346) 9.013 7.390 ( -6.414 -3.703 6.352) 9.758 7.576 ( 0.840 0.485 15.507) 15.537 8.295 ( 3.883 2.242 13.469) 14.196 8.592 ( -1.308 -0.755 -0.422) 1.568 8.855 ( -3.762 -2.172 -6.333) 7.679 9.252 ( 0.815 0.470 -9.268) 9.315 9.513 ( -8.422 -4.863 -13.070) 16.291 9.963 ( -4.047 -2.336 -2.488) 5.294 10.728 ( -1.725 -0.996 2.399) 3.119 10.850 ( -0.932 -0.538 7.814) 7.888 11.324 ( 11.903 6.872 9.751) 16.852 11.357 ( 0.481 0.278 9.377) 9.394 11.690 ( 6.481 3.742 2.202) 7.801 12.008 ( 1.762 1.017 2.382) 3.133 12.383 ( -1.502 -0.867 1.443) 2.256 12.817 ( -5.752 -3.321 -2.482) 7.091 12.919 ( -6.434 -3.715 -13.545) 15.449 13.143 ( 0.513 0.296 -1.087) 1.238 13.816 ( 10.978 6.338 -5.587) 13.853 13.857 ( -4.967 -2.868 10.663) 12.108 13.898 ( -5.165 -2.982 -2.750) 6.567 14.120 ( 1.378 0.796 -1.267) 2.034 14.486 ( -0.096 -0.055 4.152) 4.153 14.816 ( -1.215 -0.701 -4.148) 4.379 15.064 ( -6.647 -3.837 -10.565) 13.059 15.401 ( -2.586 -1.493 0.838) 3.102 15.577 ( 4.787 2.764 1.236) 5.664 15.794 ( -11.714 -6.763 2.009) 13.675 15.809 ( 0.485 0.280 -0.849) 1.017 16.062 ( -0.270 -0.156 2.558) 2.577 16.604 ( -0.625 -0.361 1.542) 1.703 16.758 ( 2.472 1.427 -12.618) 12.937 17.159 ( -0.336 -0.194 -3.109) 3.133 17.433 ( 8.566 4.945 -2.588) 10.224 17.731 ( 0.757 0.437 -3.987) 4.082 18.196 ( -0.583 -0.337 -0.066) 0.677 18.352 ( 3.474 2.006 -1.684) 4.351 19.273 ( 2.911 1.681 5.429) 6.386 19.344 ( 3.869 2.234 2.723) 5.232 20.061 ( -6.420 -3.707 5.573) 9.275 21.040 ( -2.392 -1.381 4.001) 4.862 ======================= Grid point 156 (50/65) ======================= q-point: ( 0.62 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( 2.169 1.252 0.792) 2.627 1.466 ( 0.621 0.358 1.254) 1.444 1.569 ( -0.594 -0.343 -0.721) 0.995 1.598 ( 0.503 0.290 -0.389) 0.699 1.654 ( 0.874 0.505 -2.458) 2.657 2.092 ( -1.751 -1.011 1.826) 2.724 2.491 ( 2.826 1.632 -7.634) 8.302 3.172 ( 3.117 1.800 -15.962) 16.362 3.357 ( -2.248 -1.298 16.402) 16.606 4.091 ( 8.684 5.014 7.993) 12.823 4.167 ( 1.843 1.064 -2.094) 2.985 4.413 ( -5.776 -3.335 13.684) 15.223 4.789 ( 12.286 7.093 4.030) 14.747 5.481 ( 5.952 3.437 -7.390) 10.092 6.033 ( -11.215 -6.475 -12.464) 17.974 6.178 ( -10.123 -5.845 1.398) 11.773 6.663 ( 4.924 2.843 10.996) 12.379 6.965 ( -7.126 -4.114 1.802) 8.423 7.278 ( 7.302 4.216 4.925) 9.765 7.308 ( 0.904 0.522 -7.310) 7.384 7.745 ( 4.710 2.720 16.573) 17.443 8.357 ( -5.980 -3.453 -2.411) 7.314 8.598 ( 1.472 0.850 2.319) 2.875 8.664 ( -5.583 -3.223 0.579) 6.472 9.188 ( -1.619 -0.935 -9.650) 9.829 9.338 ( 1.286 0.742 -15.687) 15.757 9.893 ( -1.186 -0.685 1.684) 2.170 10.748 ( -0.056 -0.032 9.796) 9.796 10.855 ( -5.582 -3.223 17.831) 18.960 11.363 ( -6.850 -3.955 6.577) 10.287 11.631 ( 8.870 5.121 0.863) 10.278 11.728 ( -5.027 -2.902 -1.125) 5.913 12.149 ( 8.592 4.961 3.363) 10.476 12.167 ( -3.563 -2.057 -13.450) 14.065 12.742 ( 1.461 0.843 1.741) 2.424 12.857 ( -0.470 -0.271 -1.749) 1.831 13.053 ( -6.171 -3.563 0.296) 7.132 13.782 ( -2.536 -1.464 -7.419) 7.976 13.942 ( 3.927 2.267 14.501) 15.194 13.954 ( 1.785 1.031 -4.420) 4.877 14.274 ( 12.648 7.302 -1.089) 14.645 14.487 ( -1.283 -0.741 -1.156) 1.879 14.772 ( 1.317 0.760 -5.608) 5.811 14.888 ( -2.196 -1.268 -8.297) 8.676 15.364 ( -4.087 -2.360 -0.725) 4.775 15.478 ( -12.880 -7.436 2.831) 15.139 15.641 ( 0.488 0.282 1.064) 1.204 15.798 ( 0.609 0.352 -2.987) 3.069 16.108 ( 0.199 0.115 7.167) 7.171 16.466 ( -6.256 -3.612 -4.087) 8.300 16.875 ( 9.091 5.249 -5.168) 11.701 17.154 ( 0.633 0.365 -0.702) 1.013 17.598 ( 6.367 3.676 0.119) 7.353 17.713 ( 0.818 0.472 -5.518) 5.598 18.188 ( -0.043 -0.025 -0.100) 0.112 18.407 ( 2.336 1.349 -1.550) 3.111 19.364 ( 1.347 0.777 5.545) 5.759 19.430 ( 2.218 1.281 1.032) 2.762 19.941 ( -6.607 -3.815 3.070) 8.224 21.000 ( -2.974 -1.717 2.557) 4.281 ======================= Grid point 157 (51/65) ======================= q-point: (-0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( -0.377 -0.217 0.302) 0.529 1.443 ( -2.982 -1.722 0.787) 3.532 1.552 ( -0.104 -0.060 -0.950) 0.957 1.603 ( 0.314 0.181 -1.453) 1.498 1.660 ( 0.262 0.151 -0.096) 0.317 2.064 ( -1.047 -0.604 -0.036) 1.209 2.562 ( 8.303 4.794 -12.588) 15.823 3.029 ( 2.147 1.240 -43.735) 43.805 3.433 ( -0.726 -0.419 20.437) 20.454 4.035 ( -17.684 -10.210 24.285) 31.729 4.344 ( 3.923 2.265 15.989) 16.618 4.372 ( -1.384 -0.799 2.291) 2.793 5.176 ( 16.138 9.317 7.954) 20.261 5.354 ( -11.406 -6.585 -10.776) 17.017 5.901 ( 1.752 1.011 -0.863) 2.199 5.962 ( -7.986 -4.611 0.283) 9.226 6.781 ( 2.588 1.494 3.242) 4.410 6.791 ( -7.713 -4.453 3.791) 9.680 7.293 ( 1.449 0.836 -13.731) 13.833 7.393 ( -1.591 -0.919 9.149) 9.331 7.952 ( -1.370 -0.791 14.009) 14.098 8.008 ( -14.391 -8.309 -9.465) 19.124 8.687 ( 3.327 1.921 1.929) 4.299 8.716 ( 8.205 4.737 3.863) 10.232 9.096 ( 2.051 1.184 -8.352) 8.681 9.313 ( 5.915 3.415 -16.000) 17.396 9.922 ( 3.114 1.798 -2.245) 4.239 10.775 ( -5.879 -3.394 -3.292) 7.545 10.854 ( -6.732 -3.887 22.001) 23.334 11.168 ( -10.719 -6.189 19.550) 23.139 11.565 ( -1.149 -0.664 -5.827) 5.976 11.717 ( -0.801 -0.462 -1.488) 1.752 12.235 ( 6.547 3.780 -0.591) 7.583 12.331 ( 1.875 1.083 2.717) 3.474 12.633 ( -4.774 -2.756 -3.814) 6.703 12.980 ( 6.707 3.872 1.598) 7.907 12.991 ( 3.152 1.820 1.048) 3.788 13.678 ( -0.945 -0.546 -9.040) 9.106 13.920 ( -2.085 -1.204 -1.081) 2.639 14.120 ( 2.914 1.682 2.732) 4.334 14.474 ( 4.286 2.474 -7.581) 9.053 14.475 ( 1.616 0.933 5.153) 5.480 14.780 ( -3.859 -2.228 -1.985) 4.878 14.828 ( 0.266 0.154 -5.514) 5.523 15.120 ( -2.480 -1.432 -0.203) 2.870 15.467 ( 3.981 2.298 1.611) 4.870 15.629 ( -1.430 -0.826 -0.399) 1.699 15.810 ( 1.491 0.861 -1.668) 2.397 16.140 ( -1.626 -0.939 5.040) 5.379 16.347 ( -0.169 -0.098 -4.245) 4.249 17.038 ( 6.669 3.850 -1.915) 7.935 17.156 ( -0.592 -0.342 0.185) 0.708 17.703 ( 1.949 1.125 -6.031) 6.437 17.720 ( 3.470 2.004 1.665) 4.339 18.192 ( 0.521 0.301 -0.155) 0.621 18.438 ( 1.154 0.666 -1.076) 1.712 19.401 ( -1.661 -0.959 5.605) 5.924 19.450 ( -0.455 -0.263 -2.086) 2.151 19.812 ( -5.922 -3.419 3.102) 7.509 20.947 ( -2.883 -1.664 2.249) 4.017 ======================= Grid point 162 (52/65) ======================= q-point: ( 0.38 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( -0.000 4.080 5.707) 7.015 1.255 ( -0.000 6.345 4.541) 7.802 1.572 ( 0.000 -0.991 -0.312) 1.039 1.580 ( -0.000 -1.271 1.071) 1.662 1.664 ( 0.000 0.196 -1.253) 1.269 2.140 ( -0.000 -2.458 5.168) 5.723 2.609 ( 0.000 -0.925 -3.852) 3.962 2.677 ( 0.000 -5.946 -0.401) 5.960 3.267 ( -0.000 12.196 4.721) 13.078 3.574 ( 0.000 8.545 -3.318) 9.166 4.153 ( 0.000 2.196 -12.766) 12.954 4.285 ( -0.000 -6.805 4.354) 8.079 4.746 ( 0.000 18.075 -15.123) 23.567 5.076 ( -0.000 10.037 33.998) 35.448 6.245 ( -0.000 -11.941 6.782) 13.733 6.415 ( -0.000 -2.103 8.116) 8.384 6.803 ( -0.000 12.909 -2.701) 13.189 6.919 ( 0.000 -8.377 -0.758) 8.412 7.118 ( 0.000 2.547 -6.521) 7.001 7.422 ( -0.000 -12.872 7.964) 15.137 7.694 ( -0.000 4.655 8.100) 9.342 8.160 ( -0.000 2.403 18.925) 19.077 8.639 ( -0.000 -3.557 1.567) 3.887 8.846 ( 0.000 3.654 -4.652) 5.916 9.247 ( 0.000 -1.726 -10.301) 10.444 9.757 ( 0.000 -21.073 -9.501) 23.116 10.079 ( 0.000 -1.131 -7.347) 7.434 10.629 ( 0.000 17.671 -7.379) 19.149 10.732 ( 0.000 -2.867 0.383) 2.892 11.250 ( -0.000 -3.187 13.073) 13.456 11.439 ( -0.000 8.462 4.193) 9.444 11.442 ( -0.000 3.953 14.973) 15.486 12.064 ( -0.000 -0.222 2.748) 2.757 12.314 ( -0.000 8.959 7.901) 11.945 12.731 ( 0.000 -0.050 -5.029) 5.029 13.031 ( -0.000 9.912 -0.824) 9.946 13.386 ( 0.000 -6.813 -11.879) 13.695 13.630 ( 0.000 1.750 -9.029) 9.197 13.874 ( 0.000 -15.262 -1.588) 15.345 14.028 ( 0.000 1.107 -2.927) 3.130 14.229 ( -0.000 -3.685 7.698) 8.534 14.532 ( 0.000 -12.876 0.038) 12.876 14.826 ( -0.000 -3.550 2.319) 4.240 15.216 ( 0.000 6.057 -6.901) 9.182 15.380 ( 0.000 -6.624 0.966) 6.695 15.508 ( 0.000 -5.007 0.233) 5.012 15.727 ( 0.000 -1.516 -0.075) 1.518 16.027 ( -0.000 2.334 1.306) 2.675 16.039 ( 0.000 -1.966 0.497) 2.028 16.474 ( 0.000 12.343 -10.717) 16.346 16.938 ( 0.000 -3.638 -0.602) 3.687 17.066 ( 0.000 -3.332 -4.420) 5.535 17.296 ( 0.000 10.642 -6.457) 12.447 17.707 ( 0.000 -1.514 -0.671) 1.656 18.227 ( 0.000 -0.376 -0.394) 0.545 18.254 ( -0.000 2.961 -0.505) 3.003 19.192 ( -0.000 0.688 4.789) 4.838 19.273 ( -0.000 5.429 3.311) 6.359 20.200 ( -0.000 -5.072 5.943) 7.813 21.089 ( -0.000 -1.492 4.571) 4.808 ======================= Grid point 163 (53/65) ======================= q-point: ( 0.50 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.306 ( 0.915 4.058 2.736) 4.979 1.372 ( 3.448 4.097 1.435) 5.543 1.571 ( 0.851 -1.026 0.826) 1.568 1.581 ( 0.641 -0.540 0.110) 0.845 1.644 ( -0.657 -0.099 -2.290) 2.384 2.137 ( -0.722 -3.232 3.864) 5.089 2.476 ( -1.146 -12.132 -1.797) 12.318 2.779 ( 19.172 -8.533 -6.072) 21.846 3.438 ( -6.175 18.387 7.818) 20.912 3.734 ( 7.925 7.170 -0.036) 10.688 4.110 ( -3.304 12.133 -5.537) 13.740 4.351 ( 6.290 -0.483 6.930) 9.371 4.801 ( -2.128 18.347 -7.768) 20.037 5.323 ( -1.113 4.488 10.065) 11.076 6.208 ( 0.719 -10.368 8.423) 13.377 6.439 ( 0.741 -3.855 3.885) 5.523 6.718 ( -10.905 1.888 -3.370) 11.569 6.941 ( 4.503 -1.002 -2.477) 5.236 7.074 ( -1.421 2.583 -0.962) 3.102 7.414 ( 2.873 -8.359 7.520) 11.605 7.747 ( -3.867 7.244 6.349) 10.379 8.302 ( 2.815 -4.761 13.214) 14.325 8.630 ( -0.817 0.259 3.196) 3.309 8.815 ( -0.101 -3.029 -6.194) 6.896 9.170 ( -0.718 -1.476 -8.454) 8.612 9.452 ( -3.250 -14.409 -8.585) 17.085 10.000 ( -2.491 -0.533 -3.696) 4.488 10.678 ( -0.753 -2.619 4.394) 5.171 10.893 ( 8.473 15.581 -5.033) 18.436 11.298 ( 0.627 -3.874 10.528) 11.235 11.512 ( -1.618 8.323 8.681) 12.135 11.650 ( 6.107 6.618 2.699) 9.401 12.050 ( -2.763 0.308 3.272) 4.293 12.433 ( -2.367 2.212 1.731) 3.673 12.744 ( 5.101 -0.098 -5.447) 7.463 12.995 ( -12.550 -7.800 -3.005) 15.079 13.217 ( -4.213 10.026 -2.457) 11.149 13.600 ( 8.013 -7.118 -9.910) 14.597 13.793 ( 3.993 -3.275 -1.139) 5.288 14.014 ( -4.329 -4.689 4.625) 7.881 14.157 ( -2.515 0.020 3.122) 4.009 14.452 ( 0.553 -2.762 -0.655) 2.892 14.841 ( 0.989 -1.902 1.944) 2.894 15.115 ( -5.780 -3.665 -8.389) 10.827 15.252 ( -2.307 -9.759 0.608) 10.046 15.579 ( 4.011 3.956 0.460) 5.652 15.727 ( 2.905 -5.281 1.244) 6.154 15.937 ( -4.032 -1.340 2.413) 4.886 16.183 ( 3.976 5.619 -0.487) 6.900 16.462 ( -1.029 2.377 -6.656) 7.142 16.748 ( -8.711 -7.363 -1.208) 11.470 17.159 ( 6.402 3.681 -4.870) 8.846 17.371 ( 2.063 10.331 -2.664) 10.866 17.690 ( 0.858 -1.694 -1.946) 2.719 18.207 ( -0.874 -0.276 -0.219) 0.942 18.311 ( 2.694 2.973 -1.033) 4.143 19.258 ( 2.390 0.794 4.565) 5.213 19.364 ( 1.712 5.844 1.690) 6.320 20.146 ( -4.001 -5.708 4.663) 8.386 21.085 ( -1.549 -1.942 3.191) 4.044 ======================= Grid point 164 (54/65) ======================= q-point: ( 0.62 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( 0.680 3.628 1.250) 3.897 1.456 ( 2.093 1.705 0.408) 2.730 1.573 ( -0.194 -0.275 -0.243) 0.415 1.592 ( 0.004 0.005 -0.199) 0.199 1.624 ( 0.998 0.162 -1.688) 1.967 2.106 ( -1.210 -3.069 1.472) 3.613 2.405 ( 2.557 -4.327 2.572) 5.646 2.901 ( 9.934 -5.605 -20.330) 23.311 3.563 ( -4.308 10.024 9.401) 14.402 3.895 ( 10.842 -1.777 5.080) 12.104 4.195 ( 2.033 8.637 -0.243) 8.877 4.518 ( 2.562 1.929 5.055) 5.986 4.946 ( -2.733 18.676 5.467) 19.650 5.381 ( 3.116 3.431 -0.202) 4.639 6.040 ( -7.850 -10.600 -3.122) 13.554 6.330 ( -10.530 -3.728 -1.449) 11.264 6.657 ( 2.886 -2.198 4.793) 6.012 6.986 ( 2.178 1.644 -2.628) 3.788 7.095 ( 2.262 -7.197 2.567) 7.969 7.440 ( -0.281 8.665 0.961) 8.722 7.849 ( 1.621 7.367 8.649) 11.476 8.313 ( -0.734 -11.887 4.987) 12.912 8.613 ( -3.723 -3.833 -3.623) 6.456 8.712 ( -1.600 -1.784 2.214) 3.262 9.056 ( 1.619 -4.948 -10.353) 11.588 9.331 ( -1.476 4.271 -6.773) 8.142 9.934 ( -2.773 -0.662 -0.522) 2.898 10.706 ( 2.577 -5.235 11.059) 12.503 11.069 ( -2.808 6.290 3.209) 7.599 11.356 ( 4.982 -2.689 2.682) 6.265 11.635 ( -1.388 5.138 3.514) 6.378 11.791 ( 0.548 5.107 1.628) 5.389 12.064 ( 4.958 -0.433 -4.361) 6.617 12.251 ( -11.640 0.780 -0.857) 11.697 12.705 ( 1.479 -1.629 -2.075) 3.024 12.875 ( -1.942 -1.379 3.261) 4.038 13.151 ( -8.139 -0.459 -0.051) 8.152 13.610 ( 8.372 -10.599 -7.338) 15.371 13.829 ( 1.834 -3.262 -3.401) 5.057 14.004 ( 3.130 1.497 7.478) 8.244 14.250 ( 4.073 11.478 1.116) 12.230 14.450 ( 2.275 0.589 -2.116) 3.163 14.815 ( -4.336 -0.037 1.515) 4.593 14.903 ( -7.242 0.039 -7.729) 10.592 15.201 ( 7.188 -10.489 -0.807) 12.741 15.593 ( -4.251 -3.701 0.281) 5.643 15.720 ( -0.132 -0.352 -0.082) 0.385 15.895 ( -7.588 6.100 1.634) 9.872 16.167 ( -5.285 1.762 1.017) 5.663 16.496 ( -1.324 -8.251 -5.001) 9.739 16.585 ( 9.877 -4.616 1.045) 10.953 17.226 ( -0.699 6.525 -2.526) 7.032 17.533 ( 5.996 6.460 0.694) 8.841 17.674 ( 0.771 0.110 -3.881) 3.958 18.194 ( -0.392 0.158 -0.080) 0.430 18.377 ( 2.373 2.794 -1.218) 3.863 19.333 ( 2.633 -1.175 3.456) 4.501 19.459 ( 1.493 5.439 0.522) 5.664 20.028 ( -5.808 -5.515 2.977) 8.545 21.046 ( -2.499 -2.179 1.920) 3.831 ======================= Grid point 165 (55/65) ======================= q-point: (-0.25 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( -0.470 2.997 0.551) 3.083 1.475 ( -1.126 -0.379 0.354) 1.240 1.553 ( -0.765 -0.351 -0.809) 1.168 1.592 ( 0.340 0.596 -0.750) 1.017 1.650 ( 1.351 0.839 -0.243) 1.609 2.063 ( -0.961 -2.234 -0.361) 2.459 2.484 ( 3.501 7.390 -5.649) 9.938 2.724 ( -2.181 2.531 -36.615) 36.767 3.555 ( -5.868 -3.741 11.599) 13.527 4.213 ( 11.585 -0.446 7.829) 13.989 4.325 ( 6.549 -0.368 10.207) 12.133 4.511 ( -4.265 -0.265 8.657) 9.654 5.145 ( 1.497 9.935 9.188) 13.615 5.356 ( -5.982 -5.765 -6.342) 10.452 5.884 ( -3.412 -3.850 8.292) 9.758 6.123 ( -7.597 2.513 -0.874) 8.049 6.700 ( 5.607 -5.225 -2.247) 7.987 6.923 ( -6.292 -3.290 0.808) 7.146 7.097 ( 5.447 -3.642 -6.024) 8.901 7.556 ( -3.035 10.316 3.531) 11.318 8.032 ( -5.566 -7.072 -2.825) 9.433 8.097 ( -1.013 3.946 5.912) 7.180 8.539 ( 5.225 -6.786 1.414) 8.681 8.743 ( 1.210 2.157 1.265) 2.778 8.998 ( 2.209 0.019 -9.387) 9.644 9.300 ( -4.319 10.306 -7.587) 13.507 9.893 ( -0.230 -0.220 -1.209) 1.251 10.775 ( -0.778 -4.549 2.302) 5.157 10.963 ( -4.750 -12.684 9.239) 16.395 11.423 ( -3.859 -5.425 10.491) 12.425 11.524 ( -2.919 0.143 -2.724) 3.996 11.804 ( -4.399 5.905 0.201) 7.366 12.127 ( 5.647 5.353 0.563) 7.801 12.363 ( 4.801 8.767 3.566) 10.612 12.701 ( -4.250 -0.386 -1.270) 4.453 12.869 ( 6.093 -1.193 0.053) 6.209 13.002 ( -4.954 -3.047 2.205) 6.220 13.566 ( 3.646 -7.943 -5.888) 10.538 13.789 ( 6.580 -10.425 -9.169) 15.364 14.076 ( -1.005 2.448 0.581) 2.709 14.453 ( 0.840 4.458 4.875) 6.659 14.566 ( 4.034 14.227 -1.210) 14.837 14.754 ( 1.023 0.393 -2.076) 2.348 14.808 ( -0.636 -0.729 -1.595) 1.866 15.185 ( -4.208 -4.743 -0.650) 6.374 15.450 ( -3.865 -1.014 1.974) 4.456 15.695 ( -1.489 0.327 -2.671) 3.075 15.844 ( -4.505 8.189 -1.550) 9.474 16.135 ( -0.472 -3.758 -0.660) 3.845 16.342 ( -1.760 -5.194 1.642) 5.725 16.779 ( 13.408 -6.570 0.218) 14.932 17.250 ( -1.577 5.506 -0.780) 5.780 17.631 ( 1.229 -0.076 -1.743) 2.134 17.718 ( 3.496 5.459 -0.904) 6.545 18.196 ( 0.024 0.899 -0.098) 0.905 18.428 ( 1.165 2.500 -0.802) 2.872 19.359 ( 1.333 -3.823 0.891) 4.145 19.516 ( -1.108 3.984 0.165) 4.138 19.896 ( -5.354 -4.593 2.992) 7.662 20.991 ( -2.546 -2.046 1.614) 3.643 ======================= Grid point 171 (56/65) ======================= q-point: ( 0.50 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( -0.000 2.717 0.764) 2.822 1.400 ( -0.000 4.802 1.272) 4.968 1.550 ( -0.000 -1.066 0.797) 1.331 1.574 ( -0.000 -1.010 1.242) 1.601 1.636 ( 0.000 0.118 -1.932) 1.935 2.132 ( -0.000 -4.112 3.672) 5.513 2.401 ( 0.000 -9.265 -4.964) 10.511 2.421 ( -0.000 -18.800 14.434) 23.702 3.671 ( 0.000 6.618 -3.009) 7.270 3.869 ( -0.000 27.483 3.037) 27.650 4.234 ( 0.000 16.644 -11.421) 20.186 4.364 ( -0.000 3.867 13.129) 13.687 4.872 ( 0.000 16.717 -15.208) 22.600 5.425 ( -0.000 -3.298 3.870) 5.084 6.214 ( -0.000 -4.576 7.648) 8.912 6.358 ( 0.000 -9.926 1.387) 10.022 6.836 ( -0.000 -2.207 5.184) 5.635 6.859 ( 0.000 2.181 -9.142) 9.398 7.157 ( -0.000 8.900 -1.888) 9.098 7.313 ( -0.000 -11.417 9.307) 14.730 7.876 ( -0.000 8.002 -0.267) 8.006 8.302 ( -0.000 -9.139 11.856) 14.970 8.671 ( -0.000 1.514 4.320) 4.578 8.737 ( 0.000 -4.215 -3.760) 5.648 9.141 ( 0.000 0.380 -6.181) 6.193 9.235 ( 0.000 -18.689 -4.402) 19.200 9.972 ( 0.000 -3.153 -1.916) 3.690 10.756 ( -0.000 0.626 5.218) 5.255 10.923 ( -0.000 18.372 -3.339) 18.673 11.332 ( -0.000 -1.713 6.988) 7.195 11.627 ( -0.000 2.689 3.007) 4.034 11.688 ( -0.000 11.565 2.351) 11.801 12.097 ( -0.000 -4.398 1.587) 4.675 12.464 ( 0.000 1.943 -9.637) 9.831 12.668 ( 0.000 0.939 -1.883) 2.104 13.084 ( -0.000 -2.349 3.369) 4.107 13.281 ( 0.000 -15.839 -12.254) 20.025 13.407 ( -0.000 13.675 2.856) 13.970 13.713 ( 0.000 -2.952 0.608) 3.014 14.067 ( -0.000 6.286 -0.524) 6.308 14.156 ( -0.000 -13.734 10.041) 17.012 14.445 ( 0.000 3.927 -4.163) 5.723 14.767 ( -0.000 -5.349 1.892) 5.674 14.997 ( 0.000 -8.256 -5.270) 9.795 15.404 ( 0.000 -4.596 0.160) 4.599 15.511 ( -0.000 6.808 3.562) 7.683 15.663 ( -0.000 -3.064 1.497) 3.410 15.878 ( 0.000 -13.010 -1.843) 13.140 16.124 ( -0.000 3.373 1.019) 3.523 16.576 ( 0.000 4.969 -2.479) 5.553 16.802 ( 0.000 -2.141 -6.570) 6.910 17.042 ( -0.000 2.932 0.693) 3.013 17.459 ( 0.000 11.996 -3.957) 12.632 17.649 ( 0.000 -3.120 -0.071) 3.121 18.206 ( 0.000 -0.813 -0.482) 0.945 18.315 ( -0.000 3.579 -0.342) 3.595 19.287 ( -0.000 2.011 4.481) 4.912 19.411 ( -0.000 5.437 -0.105) 5.438 20.143 ( -0.000 -6.812 2.610) 7.295 21.094 ( -0.000 -2.503 1.732) 3.044 ======================= Grid point 172 (57/65) ======================= q-point: ( 0.62 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( 2.159 2.332 -0.184) 3.183 1.454 ( 0.602 2.909 0.460) 3.006 1.562 ( 0.803 -0.919 0.766) 1.441 1.580 ( 0.982 -0.179 0.485) 1.109 1.621 ( -0.766 0.800 -0.831) 1.385 2.103 ( -1.130 -3.493 1.769) 4.076 2.367 ( 3.299 -8.080 17.922) 19.934 2.500 ( 13.913 -9.996 1.488) 17.196 3.711 ( 1.691 4.796 -3.258) 6.039 3.994 ( -11.550 17.005 -3.367) 20.831 4.257 ( -1.458 8.884 -3.439) 9.637 4.544 ( 0.237 6.824 0.401) 6.840 5.041 ( 9.318 17.467 -7.524) 21.179 5.392 ( 1.685 -4.475 2.692) 5.487 6.078 ( -7.265 -5.665 -3.073) 9.712 6.329 ( 3.783 -9.842 0.120) 10.545 6.684 ( -10.008 -2.737 -1.393) 10.468 6.946 ( 4.228 2.157 2.059) 5.174 7.096 ( -6.476 -4.661 2.564) 8.381 7.434 ( 9.662 5.747 0.972) 11.284 7.946 ( 0.025 9.896 -1.281) 9.979 8.259 ( -1.510 -13.733 9.194) 16.595 8.617 ( -6.310 -4.697 -3.713) 8.698 8.732 ( 0.864 0.227 3.249) 3.370 8.962 ( -3.037 -5.221 -3.676) 7.070 9.260 ( 8.930 -1.634 -0.297) 9.083 9.934 ( 0.005 -3.037 -0.460) 3.072 10.757 ( -2.841 -0.283 7.502) 8.027 11.125 ( 2.779 8.080 -3.893) 9.389 11.336 ( -1.491 1.147 4.578) 4.949 11.682 ( 1.050 1.052 -1.698) 2.256 11.854 ( 2.612 7.192 1.155) 7.739 11.963 ( -1.250 -3.870 -2.807) 4.942 12.391 ( -1.799 0.682 -8.475) 8.690 12.665 ( -1.335 2.490 -0.860) 2.953 12.935 ( -6.150 -6.213 0.873) 8.786 13.199 ( 4.620 -8.875 -4.799) 11.097 13.454 ( -7.441 3.192 5.730) 9.919 13.767 ( 1.540 -2.116 -0.169) 2.622 14.020 ( -0.597 -2.939 7.781) 8.339 14.270 ( 7.825 10.798 1.237) 13.393 14.449 ( -0.640 5.282 -4.557) 7.005 14.798 ( 4.984 -6.172 2.529) 8.326 14.891 ( -0.092 -5.271 -4.461) 6.906 15.190 ( -11.727 0.919 -0.247) 11.766 15.601 ( -1.657 -3.468 -0.539) 3.882 15.687 ( 2.696 -1.735 2.970) 4.371 15.885 ( 12.589 -6.501 1.745) 14.276 16.161 ( 1.457 -4.136 1.369) 4.594 16.502 ( -8.134 1.240 -5.713) 10.016 16.613 ( -10.539 2.288 -0.397) 10.792 17.201 ( 7.220 3.368 -0.312) 7.973 17.554 ( 1.373 9.050 -0.685) 9.179 17.634 ( 1.126 -0.872 -0.809) 1.638 18.196 ( 0.007 -0.291 -0.241) 0.378 18.366 ( 1.758 3.292 -0.239) 3.739 19.334 ( -0.234 0.895 3.268) 3.397 19.474 ( 2.174 4.392 -0.988) 5.000 20.056 ( -2.945 -6.905 0.560) 7.528 21.063 ( -1.252 -2.808 0.412) 3.102 ======================= Grid point 173 (58/65) ======================= q-point: ( 0.75 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 134 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.448 ( 1.286 2.228 -0.000) 2.573 1.478 ( 0.392 0.679 -0.000) 0.785 1.557 ( -0.555 -0.962 -0.000) 1.111 1.591 ( -0.011 -0.019 -0.000) 0.022 1.637 ( 1.183 2.050 -0.000) 2.367 2.057 ( -1.306 -2.262 -0.000) 2.612 2.445 ( -2.549 -4.415 -0.000) 5.098 2.663 ( 5.882 10.188 0.000) 11.765 3.722 ( -3.510 -6.080 -0.000) 7.021 3.990 ( 6.776 11.737 -0.000) 13.552 4.306 ( 0.715 1.238 -0.000) 1.429 4.556 ( 0.751 1.301 -0.000) 1.502 5.243 ( 1.055 1.827 -0.000) 2.110 5.383 ( -3.240 -5.612 -0.000) 6.481 5.974 ( 1.171 2.028 -0.000) 2.342 6.252 ( -2.609 -4.519 -0.000) 5.218 6.519 ( -2.066 -3.578 -0.000) 4.131 6.955 ( -3.219 -5.576 -0.000) 6.439 7.017 ( 0.385 0.666 -0.000) 0.769 7.661 ( 4.546 7.874 -0.000) 9.092 8.022 ( -5.882 -10.188 -0.000) 11.764 8.154 ( 5.097 8.828 -0.000) 10.193 8.451 ( -2.286 -3.960 0.000) 4.572 8.749 ( -0.317 -0.548 -0.000) 0.633 8.942 ( 1.561 2.704 -0.000) 3.123 9.388 ( 2.522 4.368 -0.000) 5.044 9.896 ( -1.193 -2.067 -0.000) 2.387 10.768 ( -0.927 -1.606 -0.000) 1.854 10.964 ( -7.713 -13.359 0.000) 15.425 11.372 ( -4.682 -8.109 -0.000) 9.363 11.614 ( 2.426 4.203 -0.000) 4.853 11.873 ( 0.334 0.578 -0.000) 0.668 12.144 ( 4.940 8.557 0.000) 9.881 12.386 ( 4.437 7.686 -0.000) 8.875 12.701 ( 2.081 3.604 -0.000) 4.161 12.808 ( -2.715 -4.702 -0.000) 5.429 13.136 ( -2.326 -4.029 -0.000) 4.652 13.351 ( -3.748 -6.491 -0.000) 7.495 13.645 ( -4.245 -7.352 -0.000) 8.489 14.112 ( 1.370 2.373 -0.000) 2.741 14.493 ( 2.219 3.843 0.000) 4.437 14.577 ( 8.962 15.523 -0.000) 17.925 14.772 ( -2.145 -3.715 -0.000) 4.290 14.803 ( -1.572 -2.722 0.000) 3.144 15.171 ( 3.740 6.478 -0.000) 7.480 15.506 ( -3.061 -5.301 -0.000) 6.121 15.688 ( -1.540 -2.667 -0.000) 3.080 16.017 ( -0.113 -0.196 -0.000) 0.226 16.082 ( -2.150 -3.724 0.000) 4.300 16.312 ( -3.747 -6.491 -0.000) 7.495 16.599 ( 2.506 4.340 -0.000) 5.011 17.287 ( 0.983 1.703 -0.000) 1.966 17.621 ( 0.365 0.632 -0.000) 0.730 17.707 ( 3.710 6.426 -0.000) 7.420 18.200 ( 0.350 0.606 -0.000) 0.700 18.429 ( 1.768 3.063 -0.000) 3.537 19.330 ( -1.007 -1.745 -0.000) 2.014 19.546 ( 1.643 2.846 0.000) 3.286 19.932 ( -3.470 -6.010 -0.000) 6.940 21.010 ( -1.557 -2.697 -0.000) 3.114 ======================= Grid point 181 (59/65) ======================= q-point: ( 0.62 0.62 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.374 ( 0.000 1.459 -0.496) 1.541 1.477 ( -0.000 1.132 0.057) 1.133 1.552 ( -0.000 -0.687 1.039) 1.245 1.575 ( -0.000 0.074 0.919) 0.922 1.637 ( -0.000 1.218 0.062) 1.219 2.099 ( -0.000 -2.861 1.265) 3.128 2.292 ( -0.000 -0.958 7.814) 7.873 2.493 ( -0.000 -10.118 38.294) 39.608 3.685 ( 0.000 1.324 -10.492) 10.575 4.208 ( -0.000 9.469 -2.224) 9.726 4.360 ( 0.000 16.449 -17.631) 24.112 4.646 ( 0.000 -0.383 -1.377) 1.429 4.988 ( 0.000 15.868 -13.750) 20.997 5.322 ( -0.000 -4.813 6.836) 8.360 6.035 ( 0.000 -6.043 -12.889) 14.236 6.163 ( 0.000 -11.829 2.730) 12.139 6.799 ( 0.000 0.099 -2.424) 2.426 6.925 ( -0.000 0.636 4.786) 4.828 7.177 ( -0.000 -10.380 6.188) 12.085 7.350 ( -0.000 11.933 -3.125) 12.335 8.011 ( 0.000 9.395 -7.581) 12.072 8.199 ( -0.000 -15.819 10.302) 18.878 8.673 ( 0.000 1.134 -1.950) 2.256 8.713 ( 0.000 -1.008 -1.632) 1.918 9.045 ( -0.000 -1.893 10.098) 10.274 9.048 ( -0.000 -4.545 1.371) 4.747 9.901 ( 0.000 -2.537 0.521) 2.590 10.825 ( -0.000 -3.103 5.327) 6.165 11.136 ( 0.000 5.787 -8.710) 10.457 11.404 ( -0.000 1.266 2.640) 2.928 11.671 ( 0.000 3.166 -1.744) 3.614 11.776 ( 0.000 -14.531 -7.804) 16.493 11.996 ( -0.000 10.279 1.581) 10.400 12.309 ( 0.000 4.809 -12.013) 12.940 12.727 ( -0.000 -1.441 2.126) 2.568 12.912 ( 0.000 -3.370 -4.662) 5.753 13.056 ( 0.000 -5.465 0.858) 5.532 13.661 ( -0.000 -4.374 2.716) 5.149 13.767 ( -0.000 8.805 11.296) 14.322 14.077 ( -0.000 -4.898 7.210) 8.717 14.255 ( -0.000 10.358 0.513) 10.371 14.477 ( 0.000 5.256 -5.813) 7.837 14.713 ( -0.000 0.608 1.016) 1.184 14.838 ( 0.000 -2.701 -2.319) 3.560 15.332 ( 0.000 -6.840 1.888) 7.096 15.539 ( 0.000 -13.379 -2.821) 13.673 15.616 ( -0.000 -0.004 3.473) 3.473 15.725 ( -0.000 3.596 3.045) 4.713 16.156 ( -0.000 -2.178 3.400) 4.038 16.470 ( 0.000 -5.799 -6.514) 8.722 16.849 ( -0.000 9.617 -0.967) 9.665 17.133 ( -0.000 2.923 1.153) 3.142 17.618 ( -0.000 -1.173 3.190) 3.399 17.624 ( -0.000 8.304 -2.159) 8.580 18.189 ( 0.000 -0.269 -0.217) 0.345 18.382 ( -0.000 2.875 0.553) 2.928 19.387 ( -0.000 1.528 4.321) 4.583 19.465 ( 0.000 2.317 -3.587) 4.271 20.002 ( 0.000 -7.470 -2.042) 7.744 21.040 ( 0.000 -3.238 -1.060) 3.407 ======================= Grid point 230 (60/65) ======================= q-point: ( 0.38 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( -0.000 0.000 5.130) 5.130 1.221 ( -0.000 0.000 5.130) 5.130 1.586 ( 0.000 0.000 -0.190) 0.190 1.586 ( 0.000 -0.000 -0.190) 0.190 1.655 ( 0.000 -0.000 -1.554) 1.554 2.200 ( -0.000 0.000 4.528) 4.528 2.583 ( 0.000 -0.000 -4.444) 4.444 2.583 ( 0.000 -0.000 -4.444) 4.444 3.374 ( -0.000 0.000 3.551) 3.551 3.374 ( -0.000 0.000 3.551) 3.551 4.059 ( 0.000 -0.000 -15.606) 15.606 4.413 ( 0.000 -0.000 -5.563) 5.563 4.413 ( 0.000 -0.000 -5.563) 5.563 5.261 ( -0.000 0.000 38.325) 38.325 6.477 ( -0.000 0.000 5.475) 5.475 6.477 ( -0.000 0.000 5.475) 5.475 6.610 ( -0.000 0.000 1.673) 1.673 7.021 ( 0.000 -0.000 -3.585) 3.585 7.021 ( 0.000 -0.000 -3.585) 3.585 7.638 ( -0.000 0.000 2.075) 2.075 7.638 ( -0.000 0.000 2.075) 2.075 8.244 ( -0.000 0.000 17.856) 17.856 8.758 ( -0.000 0.000 3.467) 3.467 8.758 ( -0.000 0.000 3.467) 3.467 9.183 ( 0.000 -0.000 -12.488) 12.488 10.008 ( 0.000 -0.000 -7.837) 7.837 10.008 ( 0.000 -0.000 -7.837) 7.837 10.307 ( 0.000 -0.000 -7.593) 7.593 10.732 ( 0.000 -0.000 -3.014) 3.014 11.323 ( -0.000 0.000 0.468) 0.468 11.474 ( -0.000 0.000 12.701) 12.701 11.474 ( -0.000 0.000 12.701) 12.701 12.193 ( -0.000 0.000 8.309) 8.309 12.193 ( -0.000 0.000 8.309) 8.309 12.693 ( 0.000 -0.000 -4.435) 4.435 12.912 ( 0.000 -0.000 -0.233) 0.233 13.467 ( 0.000 -0.000 -10.499) 10.499 13.467 ( 0.000 -0.000 -10.499) 10.499 13.992 ( 0.000 -0.000 -4.369) 4.369 13.992 ( 0.000 -0.000 -4.369) 4.369 14.344 ( -0.000 0.000 10.683) 10.683 14.835 ( 0.000 -0.000 -10.629) 10.629 14.883 ( -0.000 0.000 2.300) 2.300 14.883 ( -0.000 0.000 2.300) 2.300 15.562 ( -0.000 0.000 0.118) 0.118 15.562 ( -0.000 0.000 0.118) 0.118 15.725 ( -0.000 0.000 3.972) 3.972 16.038 ( -0.000 0.000 1.383) 1.383 16.038 ( -0.000 0.000 1.383) 1.383 16.208 ( 0.000 -0.000 -13.090) 13.090 17.011 ( -0.000 0.000 2.149) 2.149 17.098 ( 0.000 -0.000 -5.577) 5.577 17.098 ( 0.000 -0.000 -5.577) 5.577 17.720 ( 0.000 -0.000 -0.033) 0.033 18.225 ( 0.000 0.000 -0.131) 0.131 18.225 ( 0.000 0.000 -0.131) 0.131 19.226 ( -0.000 0.000 3.286) 3.286 19.226 ( -0.000 0.000 3.286) 3.286 20.291 ( -0.000 0.000 4.461) 4.461 21.135 ( -0.000 0.000 3.600) 3.600 ======================= Grid point 231 (61/65) ======================= q-point: ( 0.50 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( 1.805 1.042 2.964) 3.624 1.314 ( 4.340 2.506 1.816) 5.331 1.583 ( 0.316 0.182 0.332) 0.493 1.586 ( -0.147 -0.085 -0.450) 0.481 1.635 ( -0.648 -0.374 -1.649) 1.811 2.204 ( -1.783 -1.029 2.887) 3.546 2.524 ( -2.332 -1.346 -6.704) 7.225 2.732 ( 12.810 7.396 -7.888) 16.763 3.339 ( 1.143 0.660 12.684) 12.752 3.585 ( 10.588 6.113 -1.026) 12.269 3.956 ( -0.655 -0.378 -5.539) 5.590 4.408 ( 4.891 2.824 -0.589) 5.678 4.488 ( 6.061 3.499 -5.628) 8.981 5.432 ( -5.170 -2.985 20.671) 21.516 6.456 ( -3.031 -1.750 9.326) 9.961 6.476 ( -2.378 -1.373 2.108) 3.462 6.634 ( -2.202 -1.272 -4.776) 5.411 6.993 ( 1.890 1.091 1.575) 2.691 6.994 ( -1.699 -0.981 -4.322) 4.747 7.619 ( -4.713 -2.721 0.582) 5.473 7.654 ( 3.431 1.981 4.663) 6.119 8.396 ( 2.902 1.676 10.418) 10.944 8.706 ( -3.736 -2.157 5.898) 7.307 8.812 ( -0.079 -0.046 -1.531) 1.533 9.107 ( 0.619 0.358 -8.562) 8.592 9.676 ( -16.558 -9.559 -7.538) 20.551 9.959 ( 0.095 0.055 -3.514) 3.515 10.551 ( 16.728 9.658 -5.086) 19.974 10.727 ( 1.201 0.693 -0.953) 1.683 11.374 ( 3.376 1.949 1.051) 4.037 11.505 ( -1.771 -1.023 11.425) 11.607 11.592 ( 3.223 1.861 3.243) 4.936 12.127 ( -4.175 -2.411 11.058) 12.063 12.394 ( 3.814 2.202 1.175) 4.558 12.695 ( 2.637 1.523 -4.271) 5.246 13.016 ( 7.577 4.374 -0.222) 8.752 13.170 ( -13.560 -7.829 -1.718) 15.752 13.523 ( 5.337 3.081 -11.512) 13.058 13.888 ( -4.828 -2.787 -3.305) 6.480 13.996 ( 2.853 1.647 -3.779) 5.013 14.297 ( -9.596 -5.540 9.232) 14.422 14.569 ( -6.464 -3.732 -0.783) 7.505 14.870 ( -2.685 -1.550 1.287) 3.356 15.062 ( 0.815 0.470 -4.888) 4.978 15.468 ( 0.486 0.281 -0.423) 0.703 15.494 ( -4.476 -2.584 0.313) 5.178 15.803 ( 0.866 0.500 1.599) 1.886 16.002 ( -3.948 -2.279 1.900) 4.939 16.038 ( 0.745 0.430 -2.539) 2.681 16.328 ( 12.409 7.164 -4.847) 15.126 16.875 ( -8.524 -4.921 0.354) 9.849 17.087 ( 0.653 0.377 -5.088) 5.144 17.196 ( 8.465 4.887 -1.292) 9.859 17.706 ( -0.956 -0.552 -0.653) 1.283 18.213 ( -0.696 -0.402 0.140) 0.816 18.260 ( 2.647 1.528 -0.636) 3.122 19.270 ( 2.566 1.481 3.389) 4.502 19.287 ( 2.744 1.584 1.074) 3.345 20.263 ( -4.548 -2.626 3.344) 6.226 21.136 ( -1.651 -0.953 2.413) 3.075 ======================= Grid point 232 (62/65) ======================= q-point: ( 0.62 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( 1.862 1.075 1.496) 2.620 1.416 ( 3.847 2.221 -0.057) 4.442 1.573 ( -0.553 -0.319 -0.871) 1.080 1.592 ( -0.309 -0.178 -0.503) 0.617 1.615 ( 0.350 0.202 -0.416) 0.580 2.164 ( -2.701 -1.560 0.609) 3.178 2.399 ( -4.074 -2.352 -5.030) 6.887 2.818 ( 0.597 0.344 -20.631) 20.643 3.538 ( 5.664 3.270 11.379) 13.124 3.898 ( 16.015 9.246 -0.447) 18.498 4.010 ( 6.367 3.676 7.325) 10.378 4.611 ( 6.349 3.666 -5.312) 9.053 4.615 ( 10.824 6.249 7.934) 14.804 5.384 ( -4.693 -2.710 7.532) 9.279 6.239 ( -13.695 -7.907 -2.103) 15.953 6.378 ( -6.848 -3.954 -0.643) 7.933 6.708 ( 4.355 2.514 8.274) 9.683 6.934 ( 0.125 0.072 -4.723) 4.725 7.114 ( 7.311 4.221 2.107) 8.701 7.445 ( -9.832 -5.676 -2.101) 11.546 7.808 ( 5.699 3.291 6.048) 8.938 8.452 ( -2.992 -1.727 -0.459) 3.485 8.670 ( -2.548 -1.471 5.103) 5.890 8.753 ( -2.359 -1.362 -3.282) 4.265 9.092 ( 0.947 0.547 -3.602) 3.764 9.268 ( -12.467 -7.198 -8.077) 16.507 9.944 ( -1.086 -0.627 0.435) 1.327 10.786 ( 3.417 1.973 1.873) 4.368 10.892 ( 13.440 7.759 -0.035) 15.519 11.436 ( 0.761 0.439 -1.567) 1.797 11.573 ( 1.579 0.912 8.555) 8.747 11.701 ( 6.198 3.578 0.201) 7.159 12.164 ( 0.032 0.019 13.262) 13.262 12.253 ( -12.942 -7.472 -11.370) 18.778 12.690 ( 1.803 1.041 -4.082) 4.582 12.996 ( -6.583 -3.800 12.936) 15.004 13.133 ( 0.469 0.271 -0.479) 0.723 13.614 ( 10.994 6.348 -12.843) 18.059 13.766 ( -3.469 -2.003 -4.293) 5.872 14.077 ( 6.048 3.492 -1.648) 7.175 14.158 ( -6.606 -3.814 10.908) 13.311 14.466 ( -1.793 -1.035 -5.727) 6.090 14.784 ( -4.593 -2.652 -0.122) 5.305 14.928 ( -6.278 -3.625 -0.656) 7.279 15.406 ( -2.836 -1.637 -0.041) 3.275 15.575 ( 5.665 3.271 -1.756) 6.773 15.744 ( -2.515 -1.452 -4.876) 5.675 15.837 ( -11.861 -6.848 2.003) 13.842 16.114 ( 4.183 2.415 2.074) 5.257 16.568 ( 6.074 3.507 -3.429) 7.807 16.687 ( -4.779 -2.759 4.482) 7.109 17.087 ( 2.203 1.272 -3.227) 4.109 17.411 ( 9.830 5.675 0.560) 11.364 17.668 ( -1.502 -0.867 -1.922) 2.589 18.198 ( -0.663 -0.383 0.275) 0.813 18.323 ( 3.089 1.783 -0.958) 3.693 19.355 ( 3.000 1.732 -1.591) 3.812 19.371 ( 3.617 2.089 3.518) 5.461 20.147 ( -6.828 -3.942 2.156) 8.173 21.097 ( -2.722 -1.572 1.348) 3.420 ======================= Grid point 240 (63/65) ======================= q-point: ( 0.50 0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.296 ( -0.000 2.289 0.872) 2.450 1.315 ( -0.000 4.194 1.521) 4.461 1.574 ( -0.000 -0.693 0.505) 0.858 1.588 ( 0.000 0.139 -0.042) 0.145 1.628 ( 0.000 -0.552 -1.131) 1.259 2.217 ( -0.000 -2.567 1.683) 3.069 2.495 ( 0.000 -3.215 -3.916) 5.067 2.626 ( -0.000 4.873 0.391) 4.889 3.483 ( -0.000 11.329 9.550) 14.817 3.515 ( 0.000 5.164 -4.248) 6.686 3.958 ( 0.000 5.749 -5.121) 7.700 4.366 ( -0.000 2.805 4.736) 5.504 4.493 ( 0.000 11.310 -8.467) 14.129 5.566 ( -0.000 -6.345 9.386) 11.330 6.427 ( -0.000 -8.885 8.307) 12.163 6.499 ( 0.000 -3.986 0.424) 4.008 6.699 ( 0.000 5.993 -6.569) 8.892 6.933 ( -0.000 -4.066 1.988) 4.526 7.032 ( 0.000 3.370 -2.203) 4.026 7.554 ( -0.000 -6.817 5.098) 8.513 7.730 ( 0.000 6.013 -2.650) 6.571 8.441 ( -0.000 0.728 6.229) 6.271 8.742 ( -0.000 -4.066 5.781) 7.068 8.792 ( 0.000 -2.980 -1.875) 3.521 9.066 ( 0.000 2.163 -4.990) 5.439 9.618 ( 0.000 -20.911 -2.585) 21.070 9.958 ( 0.000 1.692 -3.422) 3.817 10.518 ( -0.000 19.487 -2.260) 19.617 10.722 ( -0.000 2.039 -0.307) 2.062 11.371 ( -0.000 2.859 1.280) 3.133 11.578 ( -0.000 1.571 4.523) 4.788 11.599 ( -0.000 1.368 1.182) 1.808 12.233 ( -0.000 -3.268 12.329) 12.755 12.370 ( 0.000 1.414 -6.571) 6.722 12.653 ( 0.000 0.006 -1.396) 1.396 13.018 ( -0.000 8.899 -0.348) 8.905 13.293 ( -0.000 0.545 5.803) 5.829 13.359 ( 0.000 -3.153 -14.711) 15.045 13.845 ( 0.000 -8.339 0.425) 8.350 13.976 ( 0.000 2.598 -1.345) 2.925 14.394 ( -0.000 -3.717 3.058) 4.813 14.517 ( 0.000 -13.068 0.683) 13.085 14.873 ( -0.000 -3.491 1.343) 3.740 15.069 ( 0.000 2.742 -4.786) 5.516 15.433 ( -0.000 -2.450 2.574) 3.554 15.503 ( 0.000 -5.106 -0.501) 5.131 15.773 ( -0.000 -4.016 3.508) 5.332 16.031 ( 0.000 3.599 -1.023) 3.742 16.033 ( 0.000 -3.589 -0.956) 3.714 16.313 ( -0.000 15.874 -3.599) 16.276 16.905 ( 0.000 -7.759 -2.076) 8.032 17.023 ( -0.000 -0.372 0.582) 0.691 17.204 ( -0.000 10.309 -2.181) 10.537 17.700 ( 0.000 -1.883 -0.021) 1.883 18.218 ( 0.000 -0.609 -0.348) 0.701 18.251 ( -0.000 2.615 0.159) 2.620 19.272 ( -0.000 1.716 2.429) 2.974 19.308 ( -0.000 4.243 -0.082) 4.244 20.282 ( -0.000 -4.981 1.608) 5.234 21.150 ( -0.000 -1.808 1.147) 2.141 ======================= Grid point 241 (64/65) ======================= q-point: ( 0.62 0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( 1.512 2.619 -0.000) 3.025 1.385 ( 2.197 3.806 -0.000) 4.395 1.579 ( -0.123 -0.213 -0.000) 0.246 1.586 ( 0.066 0.114 -0.000) 0.132 1.611 ( -0.351 -0.608 -0.000) 0.703 2.178 ( -1.797 -3.113 -0.000) 3.594 2.463 ( -0.633 -1.097 -0.000) 1.266 2.679 ( -0.770 -1.334 -0.000) 1.541 3.543 ( 3.494 6.051 -0.000) 6.987 3.758 ( 6.877 11.911 -0.000) 13.754 4.026 ( 4.639 8.035 -0.000) 9.278 4.470 ( 2.349 4.069 -0.000) 4.699 4.652 ( 8.997 15.583 -0.000) 17.994 5.480 ( -3.211 -5.561 -0.000) 6.421 6.266 ( -7.057 -12.223 -0.000) 14.114 6.479 ( -2.321 -4.020 -0.000) 4.642 6.699 ( 0.730 1.264 -0.000) 1.459 6.916 ( -0.104 -0.181 -0.000) 0.209 7.071 ( 2.168 3.755 -0.000) 4.336 7.499 ( -3.420 -5.924 -0.000) 6.841 7.792 ( 3.083 5.339 -0.000) 6.165 8.460 ( -1.500 -2.597 -0.000) 2.999 8.696 ( -2.666 -4.617 -0.000) 5.332 8.754 ( -0.618 -1.071 0.000) 1.237 9.054 ( -1.277 -2.211 -0.000) 2.553 9.351 ( -6.362 -11.019 -0.000) 12.724 9.957 ( 0.086 0.149 -0.000) 0.172 10.728 ( 2.641 4.575 -0.000) 5.282 10.832 ( 8.585 14.870 -0.000) 17.170 11.406 ( -0.524 -0.907 -0.000) 1.047 11.609 ( 1.783 3.088 -0.000) 3.566 11.677 ( 3.726 6.453 -0.000) 7.452 12.165 ( -5.642 -9.773 -0.000) 11.285 12.353 ( 0.418 0.724 -0.000) 0.835 12.643 ( -0.447 -0.774 -0.000) 0.894 13.066 ( -2.686 -4.653 -0.000) 5.372 13.230 ( 1.330 2.303 -0.000) 2.659 13.405 ( 2.151 3.725 -0.000) 4.301 13.775 ( -1.124 -1.946 -0.000) 2.247 14.034 ( 2.631 4.557 -0.000) 5.262 14.280 ( -5.777 -10.006 -0.000) 11.554 14.394 ( -0.947 -1.640 0.000) 1.894 14.881 ( -0.171 -0.297 -0.000) 0.343 15.003 ( -3.075 -5.326 -0.000) 6.150 15.258 ( -5.527 -9.573 -0.000) 11.054 15.581 ( 2.513 4.353 -0.000) 5.026 15.751 ( -1.553 -2.690 -0.000) 3.107 15.966 ( -0.802 -1.388 -0.000) 1.603 16.171 ( 3.544 6.139 -0.000) 7.088 16.382 ( 1.063 1.841 -0.000) 2.125 16.742 ( -5.489 -9.508 -0.000) 10.978 17.104 ( 3.372 5.840 -0.000) 6.744 17.342 ( 5.573 9.653 -0.000) 11.146 17.670 ( -1.102 -1.909 -0.000) 2.205 18.205 ( -0.379 -0.657 -0.000) 0.759 18.300 ( 1.793 3.106 -0.000) 3.586 19.317 ( 1.081 1.872 -0.000) 2.162 19.374 ( 2.711 4.696 -0.000) 5.423 20.196 ( -3.622 -6.273 -0.000) 7.243 21.119 ( -1.406 -2.436 -0.000) 2.813 ======================= Grid point 314 (65/65) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 35 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( -0.000 0.000 0.000) 0.000 1.275 ( -0.000 0.000 0.000) 0.000 1.583 ( -0.000 0.000 0.000) 0.000 1.583 ( -0.000 0.000 0.000) 0.000 1.632 ( -0.000 0.000 0.000) 0.000 2.250 ( -0.000 0.000 0.000) 0.000 2.504 ( -0.000 0.000 0.000) 0.000 2.504 ( -0.000 0.000 0.000) 0.000 3.446 ( -0.000 0.000 0.000) 0.000 3.446 ( -0.000 0.000 0.000) 0.000 3.888 ( -0.000 0.000 0.000) 0.000 4.347 ( -0.000 0.000 0.000) 0.000 4.347 ( -0.000 0.000 0.000) 0.000 5.696 ( -0.000 0.000 0.000) 0.000 6.538 ( -0.000 0.000 0.000) 0.000 6.538 ( -0.000 0.000 0.000) 0.000 6.636 ( -0.000 0.000 0.000) 0.000 6.987 ( -0.000 0.000 0.000) 0.000 6.987 ( -0.000 0.000 0.000) 0.000 7.641 ( -0.000 0.000 0.000) 0.000 7.641 ( -0.000 0.000 0.000) 0.000 8.445 ( -0.000 0.000 0.000) 0.000 8.817 ( -0.000 0.000 0.000) 0.000 8.817 ( -0.000 0.000 0.000) 0.000 9.021 ( -0.000 0.000 0.000) 0.000 9.919 ( -0.000 0.000 0.000) 0.000 9.919 ( -0.000 0.000 0.000) 0.000 10.215 ( -0.000 0.000 0.000) 0.000 10.700 ( -0.000 0.000 0.000) 0.000 11.330 ( -0.000 0.000 0.000) 0.000 11.591 ( -0.000 0.000 0.000) 0.000 11.591 ( -0.000 0.000 0.000) 0.000 12.330 ( -0.000 0.000 0.000) 0.000 12.330 ( -0.000 0.000 0.000) 0.000 12.640 ( -0.000 0.000 0.000) 0.000 12.909 ( -0.000 0.000 0.000) 0.000 13.322 ( -0.000 0.000 0.000) 0.000 13.322 ( -0.000 0.000 0.000) 0.000 13.944 ( -0.000 0.000 0.000) 0.000 13.944 ( -0.000 0.000 0.000) 0.000 14.470 ( -0.000 0.000 0.000) 0.000 14.711 ( -0.000 0.000 0.000) 0.000 14.913 ( -0.000 0.000 0.000) 0.000 14.913 ( -0.000 0.000 0.000) 0.000 15.563 ( -0.000 0.000 0.000) 0.000 15.563 ( -0.000 0.000 0.000) 0.000 15.809 ( -0.000 0.000 0.000) 0.000 16.028 ( 0.000 -0.000 -0.000) 0.000 16.052 ( -0.000 0.000 0.000) 0.000 16.052 ( -0.000 0.000 0.000) 0.000 17.033 ( -0.000 0.000 0.000) 0.000 17.036 ( -0.000 0.000 0.000) 0.000 17.036 ( -0.000 0.000 0.000) 0.000 17.719 ( -0.000 0.000 0.000) 0.000 18.224 ( -0.000 0.000 0.000) 0.000 18.224 ( -0.000 0.000 0.000) 0.000 19.262 ( -0.000 0.000 0.000) 0.000 19.262 ( -0.000 0.000 0.000) 0.000 20.341 ( -0.000 0.000 0.000) 0.000 21.173 ( -0.000 0.000 0.000) 0.000 =================== 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 3/30720 10.0 295.031 295.031 251.640 0.000 -0.000 -0.000 3/30720 20.0 36.715 36.715 34.185 0.000 -0.000 -0.000 3/30720 30.0 14.419 14.419 14.339 0.000 -0.000 -0.000 3/30720 40.0 8.341 8.341 8.642 0.000 -0.000 -0.000 3/30720 50.0 5.770 5.770 6.128 0.000 -0.000 -0.000 3/30720 60.0 4.396 4.396 4.741 0.000 -0.000 -0.000 3/30720 70.0 3.550 3.550 3.867 0.000 -0.000 -0.000 3/30720 80.0 2.978 2.978 3.268 0.000 -0.000 -0.000 3/30720 90.0 2.567 2.567 2.833 0.000 -0.000 -0.000 3/30720 100.0 2.256 2.256 2.502 0.000 -0.000 -0.000 3/30720 110.0 2.014 2.014 2.243 0.000 -0.000 -0.000 3/30720 120.0 1.819 1.819 2.033 0.000 -0.000 -0.000 3/30720 130.0 1.659 1.659 1.861 0.000 -0.000 -0.000 3/30720 140.0 1.526 1.526 1.716 0.000 -0.000 -0.000 3/30720 150.0 1.412 1.412 1.592 0.000 -0.000 -0.000 3/30720 160.0 1.315 1.315 1.486 0.000 -0.000 -0.000 3/30720 170.0 1.231 1.231 1.393 0.000 -0.000 -0.000 3/30720 180.0 1.157 1.157 1.311 0.000 -0.000 -0.000 3/30720 190.0 1.091 1.091 1.239 0.000 -0.000 -0.000 3/30720 200.0 1.033 1.033 1.175 0.000 -0.000 -0.000 3/30720 210.0 0.981 0.981 1.116 0.000 -0.000 -0.000 3/30720 220.0 0.934 0.934 1.064 0.000 -0.000 -0.000 3/30720 230.0 0.892 0.892 1.016 0.000 -0.000 -0.000 3/30720 240.0 0.853 0.853 0.973 0.000 -0.000 -0.000 3/30720 250.0 0.818 0.818 0.933 0.000 -0.000 -0.000 3/30720 260.0 0.786 0.786 0.897 0.000 -0.000 -0.000 3/30720 270.0 0.756 0.756 0.863 0.000 -0.000 -0.000 3/30720 280.0 0.728 0.728 0.831 0.000 -0.000 -0.000 3/30720 290.0 0.702 0.702 0.802 0.000 -0.000 -0.000 3/30720 300.0 0.679 0.679 0.775 0.000 -0.000 -0.000 3/30720 310.0 0.656 0.656 0.750 0.000 -0.000 -0.000 3/30720 320.0 0.636 0.636 0.726 0.000 -0.000 -0.000 3/30720 330.0 0.616 0.616 0.704 0.000 -0.000 -0.000 3/30720 340.0 0.598 0.598 0.683 0.000 -0.000 -0.000 3/30720 350.0 0.581 0.581 0.664 0.000 -0.000 -0.000 3/30720 360.0 0.564 0.564 0.645 0.000 -0.000 -0.000 3/30720 370.0 0.549 0.549 0.628 0.000 -0.000 -0.000 3/30720 380.0 0.535 0.535 0.611 0.000 -0.000 -0.000 3/30720 390.0 0.521 0.521 0.595 0.000 -0.000 -0.000 3/30720 400.0 0.508 0.508 0.581 0.000 -0.000 -0.000 3/30720 410.0 0.495 0.495 0.566 0.000 -0.000 -0.000 3/30720 420.0 0.484 0.484 0.553 0.000 -0.000 -0.000 3/30720 430.0 0.472 0.472 0.540 0.000 -0.000 -0.000 3/30720 440.0 0.462 0.462 0.528 0.000 -0.000 -0.000 3/30720 450.0 0.451 0.451 0.516 0.000 -0.000 -0.000 3/30720 460.0 0.442 0.442 0.505 0.000 -0.000 -0.000 3/30720 470.0 0.432 0.432 0.494 0.000 -0.000 -0.000 3/30720 480.0 0.423 0.423 0.484 0.000 -0.000 -0.000 3/30720 490.0 0.415 0.415 0.474 0.000 -0.000 -0.000 3/30720 500.0 0.406 0.406 0.464 0.000 -0.000 -0.000 3/30720 510.0 0.398 0.398 0.455 0.000 -0.000 -0.000 3/30720 520.0 0.391 0.391 0.447 0.000 -0.000 -0.000 3/30720 530.0 0.383 0.383 0.438 0.000 -0.000 -0.000 3/30720 540.0 0.376 0.376 0.430 0.000 -0.000 -0.000 3/30720 550.0 0.369 0.369 0.422 0.000 -0.000 -0.000 3/30720 560.0 0.363 0.363 0.415 0.000 -0.000 -0.000 3/30720 570.0 0.357 0.357 0.408 0.000 -0.000 -0.000 3/30720 580.0 0.350 0.350 0.401 0.000 -0.000 -0.000 3/30720 590.0 0.345 0.345 0.394 0.000 -0.000 -0.000 3/30720 600.0 0.339 0.339 0.387 0.000 -0.000 -0.000 3/30720 610.0 0.333 0.333 0.381 0.000 -0.000 -0.000 3/30720 620.0 0.328 0.328 0.375 0.000 -0.000 -0.000 3/30720 630.0 0.323 0.323 0.369 0.000 -0.000 -0.000 3/30720 640.0 0.318 0.318 0.363 0.000 -0.000 -0.000 3/30720 650.0 0.313 0.313 0.358 0.000 -0.000 -0.000 3/30720 660.0 0.308 0.308 0.352 0.000 -0.000 -0.000 3/30720 670.0 0.304 0.304 0.347 0.000 -0.000 -0.000 3/30720 680.0 0.299 0.299 0.342 0.000 -0.000 -0.000 3/30720 690.0 0.295 0.295 0.337 0.000 -0.000 -0.000 3/30720 700.0 0.291 0.291 0.332 0.000 -0.000 -0.000 3/30720 710.0 0.287 0.287 0.327 0.000 -0.000 -0.000 3/30720 720.0 0.283 0.283 0.323 0.000 -0.000 -0.000 3/30720 730.0 0.279 0.279 0.319 0.000 -0.000 -0.000 3/30720 740.0 0.275 0.275 0.314 0.000 -0.000 -0.000 3/30720 750.0 0.271 0.271 0.310 0.000 -0.000 -0.000 3/30720 760.0 0.268 0.268 0.306 0.000 -0.000 -0.000 3/30720 770.0 0.264 0.264 0.302 0.000 -0.000 -0.000 3/30720 780.0 0.261 0.261 0.298 0.000 -0.000 -0.000 3/30720 790.0 0.258 0.258 0.294 0.000 -0.000 -0.000 3/30720 800.0 0.255 0.255 0.291 0.000 -0.000 -0.000 3/30720 810.0 0.251 0.251 0.287 0.000 -0.000 -0.000 3/30720 820.0 0.248 0.248 0.284 0.000 -0.000 -0.000 3/30720 830.0 0.245 0.245 0.280 0.000 -0.000 -0.000 3/30720 840.0 0.242 0.242 0.277 0.000 -0.000 -0.000 3/30720 850.0 0.240 0.240 0.274 0.000 -0.000 -0.000 3/30720 860.0 0.237 0.237 0.271 0.000 -0.000 -0.000 3/30720 870.0 0.234 0.234 0.267 0.000 -0.000 -0.000 3/30720 880.0 0.231 0.231 0.264 0.000 -0.000 -0.000 3/30720 890.0 0.229 0.229 0.262 0.000 -0.000 -0.000 3/30720 900.0 0.226 0.226 0.259 0.000 -0.000 -0.000 3/30720 910.0 0.224 0.224 0.256 0.000 -0.000 -0.000 3/30720 920.0 0.221 0.221 0.253 0.000 -0.000 -0.000 3/30720 930.0 0.219 0.219 0.250 0.000 -0.000 -0.000 3/30720 940.0 0.217 0.217 0.248 0.000 -0.000 -0.000 3/30720 950.0 0.215 0.215 0.245 0.000 -0.000 -0.000 3/30720 960.0 0.212 0.212 0.243 0.000 -0.000 -0.000 3/30720 970.0 0.210 0.210 0.240 0.000 -0.000 -0.000 3/30720 980.0 0.208 0.208 0.238 0.000 -0.000 -0.000 3/30720 990.0 0.206 0.206 0.235 0.000 -0.000 -0.000 3/30720 1000.0 0.204 0.204 0.233 0.000 -0.000 -0.000 3/30720 Thermal conductivity related properties were written into "kappa-m888.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 21:42:05]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|