----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 04:46:33]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.190134740001593 0.000000000000000 0.000000000000000 b 0.000000000000000 6.868017400000000 0.000000000000000 c -1.132616556386392 0.000000000000000 6.721382056664972 Atomic positions (fractional): *1 Tb 0.92306139177946 0.64194923837015 0.18066823867886 158.925 2 Tb 0.07693860822054 0.14194923837015 0.31933176132114 158.925 3 Tb 0.07693860822054 0.35805076162985 0.81933176132114 158.925 4 Tb 0.92306139177946 0.85805076162985 0.68066823867886 158.925 *5 Tb 0.36319847973254 0.55429815046973 0.24995040419936 158.925 6 Tb 0.63680152026746 0.05429815046973 0.25004959580064 158.925 7 Tb 0.63680152026746 0.44570184953027 0.75004959580064 158.925 8 Tb 0.36319847973254 0.94570184953027 0.74995040419936 158.925 *9 S 0.42274884632685 0.27782439040283 0.97050074000087 32.065 10 S 0.57725115367314 0.77782439040283 0.52949925999913 32.065 11 S 0.57725115367314 0.72217560959717 0.02949925999913 32.065 12 S 0.42274884632685 0.22217560959717 0.47050074000087 32.065 *13 S 0.81948564591701 0.13540482547765 0.92790877099066 32.065 14 S 0.18051435408299 0.63540482547765 0.57209122900934 32.065 15 S 0.18051435408299 0.86459517452235 0.07209122900935 32.065 16 S 0.81948564591701 0.36459517452235 0.42790877099065 32.065 *17 O 0.11697700182501 0.08727565925518 0.64963270000748 15.999 18 O 0.88302299817498 0.58727565925518 0.85036729999252 15.999 19 O 0.88302299817498 0.91272434074482 0.35036729999252 15.999 20 O 0.11697700182501 0.41272434074482 0.14963270000748 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.190134740001593 0.000000000000000 0.000000000000000 b 0.000000000000000 6.868017400000000 0.000000000000000 c -1.132616556386392 0.000000000000000 6.721382056664972 Atomic positions (fractional): *1 Tb 0.92306139177946 0.64194923837015 0.18066823867886 158.925 > 1 2 Tb 0.07693860822054 0.14194923837015 0.31933176132114 158.925 > 2 3 Tb 0.07693860822054 0.35805076162985 0.81933176132114 158.925 > 3 4 Tb 0.92306139177946 0.85805076162985 0.68066823867886 158.925 > 4 *5 Tb 0.36319847973254 0.55429815046973 0.24995040419936 158.925 > 5 6 Tb 0.63680152026746 0.05429815046973 0.25004959580064 158.925 > 6 7 Tb 0.63680152026746 0.44570184953027 0.75004959580064 158.925 > 7 8 Tb 0.36319847973254 0.94570184953027 0.74995040419936 158.925 > 8 *9 S 0.42274884632685 0.27782439040283 0.97050074000087 32.065 > 9 10 S 0.57725115367314 0.77782439040283 0.52949925999913 32.065 > 10 11 S 0.57725115367314 0.72217560959717 0.02949925999913 32.065 > 11 12 S 0.42274884632685 0.22217560959717 0.47050074000087 32.065 > 12 *13 S 0.81948564591701 0.13540482547765 0.92790877099066 32.065 > 13 14 S 0.18051435408299 0.63540482547765 0.57209122900934 32.065 > 14 15 S 0.18051435408299 0.86459517452235 0.07209122900935 32.065 > 15 16 S 0.81948564591701 0.36459517452235 0.42790877099065 32.065 > 16 *17 O 0.11697700182501 0.08727565925518 0.64963270000748 15.999 > 17 18 O 0.88302299817498 0.58727565925518 0.85036729999252 15.999 > 18 19 O 0.88302299817498 0.91272434074482 0.35036729999252 15.999 > 19 20 O 0.11697700182501 0.41272434074482 0.14963270000748 15.999 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 8.190134740001593 0.000000000000000 0.000000000000000 b 0.000000000000000 13.736034800000001 0.000000000000000 c -2.265233112772784 0.000000000000000 13.442764113329943 Atomic positions (fractional): *1 Tb 0.92306139177946 0.32097461918508 0.09033411933943 158.925 > 1 2 Tb 0.92306139177946 0.82097461918508 0.09033411933943 158.925 > 1 3 Tb 0.92306139177946 0.32097461918508 0.59033411933943 158.925 > 1 4 Tb 0.92306139177946 0.82097461918508 0.59033411933943 158.925 > 1 5 Tb 0.07693860822054 0.07097461918508 0.15966588066057 158.925 > 2 6 Tb 0.07693860822054 0.57097461918508 0.15966588066057 158.925 > 2 7 Tb 0.07693860822054 0.07097461918508 0.65966588066057 158.925 > 2 8 Tb 0.07693860822054 0.57097461918508 0.65966588066057 158.925 > 2 9 Tb 0.07693860822054 0.17902538081492 0.40966588066057 158.925 > 3 10 Tb 0.07693860822054 0.67902538081492 0.40966588066057 158.925 > 3 11 Tb 0.07693860822054 0.17902538081492 0.90966588066057 158.925 > 3 12 Tb 0.07693860822054 0.67902538081492 0.90966588066057 158.925 > 3 13 Tb 0.92306139177946 0.42902538081492 0.34033411933943 158.925 > 4 14 Tb 0.92306139177946 0.92902538081492 0.34033411933943 158.925 > 4 15 Tb 0.92306139177946 0.42902538081492 0.84033411933943 158.925 > 4 16 Tb 0.92306139177946 0.92902538081492 0.84033411933943 158.925 > 4 *17 Tb 0.36319847973254 0.27714907523487 0.12497520209968 158.925 > 5 18 Tb 0.36319847973254 0.77714907523487 0.12497520209968 158.925 > 5 19 Tb 0.36319847973254 0.27714907523487 0.62497520209968 158.925 > 5 20 Tb 0.36319847973254 0.77714907523487 0.62497520209968 158.925 > 5 21 Tb 0.63680152026746 0.02714907523487 0.12502479790032 158.925 > 6 22 Tb 0.63680152026746 0.52714907523487 0.12502479790032 158.925 > 6 23 Tb 0.63680152026746 0.02714907523487 0.62502479790032 158.925 > 6 24 Tb 0.63680152026746 0.52714907523487 0.62502479790032 158.925 > 6 25 Tb 0.63680152026746 0.22285092476513 0.37502479790032 158.925 > 7 26 Tb 0.63680152026746 0.72285092476513 0.37502479790032 158.925 > 7 27 Tb 0.63680152026746 0.22285092476513 0.87502479790032 158.925 > 7 28 Tb 0.63680152026746 0.72285092476513 0.87502479790032 158.925 > 7 29 Tb 0.36319847973254 0.47285092476513 0.37497520209968 158.925 > 8 30 Tb 0.36319847973254 0.97285092476513 0.37497520209968 158.925 > 8 31 Tb 0.36319847973254 0.47285092476513 0.87497520209968 158.925 > 8 32 Tb 0.36319847973254 0.97285092476513 0.87497520209968 158.925 > 8 *33 S 0.42274884632685 0.13891219520141 0.48525037000044 32.065 > 9 34 S 0.42274884632685 0.63891219520141 0.48525037000044 32.065 > 9 35 S 0.42274884632685 0.13891219520141 0.98525037000044 32.065 > 9 36 S 0.42274884632685 0.63891219520141 0.98525037000044 32.065 > 9 37 S 0.57725115367314 0.38891219520141 0.26474962999956 32.065 > 10 38 S 0.57725115367314 0.88891219520141 0.26474962999956 32.065 > 10 39 S 0.57725115367314 0.38891219520141 0.76474962999956 32.065 > 10 40 S 0.57725115367314 0.88891219520141 0.76474962999956 32.065 > 10 41 S 0.57725115367314 0.36108780479859 0.01474962999956 32.065 > 11 42 S 0.57725115367314 0.86108780479859 0.01474962999956 32.065 > 11 43 S 0.57725115367314 0.36108780479859 0.51474962999956 32.065 > 11 44 S 0.57725115367314 0.86108780479859 0.51474962999956 32.065 > 11 45 S 0.42274884632685 0.11108780479859 0.23525037000044 32.065 > 12 46 S 0.42274884632685 0.61108780479859 0.23525037000044 32.065 > 12 47 S 0.42274884632685 0.11108780479859 0.73525037000044 32.065 > 12 48 S 0.42274884632685 0.61108780479859 0.73525037000044 32.065 > 12 *49 S 0.81948564591701 0.06770241273882 0.46395438549533 32.065 > 13 50 S 0.81948564591701 0.56770241273882 0.46395438549533 32.065 > 13 51 S 0.81948564591701 0.06770241273882 0.96395438549533 32.065 > 13 52 S 0.81948564591701 0.56770241273882 0.96395438549533 32.065 > 13 53 S 0.18051435408299 0.31770241273882 0.28604561450467 32.065 > 14 54 S 0.18051435408299 0.81770241273882 0.28604561450467 32.065 > 14 55 S 0.18051435408299 0.31770241273882 0.78604561450467 32.065 > 14 56 S 0.18051435408299 0.81770241273882 0.78604561450467 32.065 > 14 57 S 0.18051435408299 0.43229758726118 0.03604561450467 32.065 > 15 58 S 0.18051435408299 0.93229758726118 0.03604561450467 32.065 > 15 59 S 0.18051435408299 0.43229758726118 0.53604561450467 32.065 > 15 60 S 0.18051435408299 0.93229758726118 0.53604561450467 32.065 > 15 61 S 0.81948564591701 0.18229758726118 0.21395438549533 32.065 > 16 62 S 0.81948564591701 0.68229758726118 0.21395438549533 32.065 > 16 63 S 0.81948564591701 0.18229758726118 0.71395438549533 32.065 > 16 64 S 0.81948564591701 0.68229758726118 0.71395438549533 32.065 > 16 *65 O 0.11697700182501 0.04363782962759 0.32481635000374 15.999 > 17 66 O 0.11697700182501 0.54363782962759 0.32481635000374 15.999 > 17 67 O 0.11697700182501 0.04363782962759 0.82481635000374 15.999 > 17 68 O 0.11697700182501 0.54363782962759 0.82481635000374 15.999 > 17 69 O 0.88302299817498 0.29363782962759 0.42518364999626 15.999 > 18 70 O 0.88302299817498 0.79363782962759 0.42518364999626 15.999 > 18 71 O 0.88302299817498 0.29363782962759 0.92518364999626 15.999 > 18 72 O 0.88302299817498 0.79363782962759 0.92518364999626 15.999 > 18 73 O 0.88302299817498 0.45636217037241 0.17518364999626 15.999 > 19 74 O 0.88302299817498 0.95636217037241 0.17518364999626 15.999 > 19 75 O 0.88302299817498 0.45636217037241 0.67518364999626 15.999 > 19 76 O 0.88302299817498 0.95636217037241 0.67518364999626 15.999 > 19 77 O 0.11697700182501 0.20636217037241 0.07481635000374 15.999 > 20 78 O 0.11697700182501 0.70636217037241 0.07481635000374 15.999 > 20 79 O 0.11697700182501 0.20636217037241 0.57481635000374 15.999 > 20 80 O 0.11697700182501 0.70636217037241 0.57481635000374 15.999 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.6241949 0.0000000 -0.2863373 0.0000000 6.7938540 0.0000000 -0.2863422 0.0000000 6.6841587 -------------------------- Born effective charges -------------------------- 1 Tb 4.0396080 -0.2201383 -0.3223072 -0.1517660 3.9860188 0.0365617 -0.1523630 0.0158603 4.0878730 2 Tb 4.0396080 0.2201383 -0.3223072 0.1517660 3.9860188 -0.0365617 -0.1523630 -0.0158603 4.0878730 3 Tb 4.0396080 -0.2201383 -0.3223072 -0.1517660 3.9860188 0.0365617 -0.1523630 0.0158603 4.0878730 4 Tb 4.0396080 0.2201383 -0.3223072 0.1517660 3.9860188 -0.0365617 -0.1523630 -0.0158603 4.0878730 5 Tb 3.8295155 -0.0549807 -0.0908348 0.1467065 4.1742254 -0.0218039 -0.1008633 -0.1167838 3.6949181 6 Tb 3.8295155 0.0549807 -0.0908348 -0.1467065 4.1742254 0.0218039 -0.1008633 0.1167838 3.6949181 7 Tb 3.8295155 -0.0549807 -0.0908348 0.1467065 4.1742254 -0.0218039 -0.1008633 -0.1167838 3.6949181 8 Tb 3.8295155 0.0549807 -0.0908348 -0.1467065 4.1742254 0.0218039 -0.1008633 0.1167838 3.6949181 9 S -2.2720972 0.2486678 -0.0987397 0.1298038 -2.6911969 -0.1591114 -0.0021046 -0.3784713 -2.4158915 10 S -2.2720972 -0.2486678 -0.0987397 -0.1298038 -2.6911969 0.1591114 -0.0021046 0.3784713 -2.4158915 11 S -2.2720972 0.2486678 -0.0987397 0.1298038 -2.6911969 -0.1591114 -0.0021046 -0.3784713 -2.4158915 12 S -2.2720972 -0.2486678 -0.0987397 -0.1298038 -2.6911969 0.1591114 -0.0021046 0.3784713 -2.4158915 13 S -2.5596975 0.1669696 0.4132031 0.1839185 -2.4587144 0.1990813 0.2820337 0.1854878 -2.5731104 14 S -2.5596975 -0.1669696 0.4132031 -0.1839185 -2.4587144 -0.1990813 0.2820337 -0.1854878 -2.5731104 15 S -2.5596975 0.1669696 0.4132031 0.1839185 -2.4587144 0.1990813 0.2820337 0.1854878 -2.5731104 16 S -2.5596975 -0.1669696 0.4132031 -0.1839185 -2.4587144 -0.1990813 0.2820337 -0.1854878 -2.5731104 17 O -3.0373288 0.1995331 0.0986785 0.2332286 -3.0103330 0.1156773 -0.0267028 0.1064105 -2.7937891 18 O -3.0373288 -0.1995331 0.0986785 -0.2332286 -3.0103330 -0.1156773 -0.0267028 -0.1064105 -2.7937891 19 O -3.0373288 0.1995331 0.0986785 0.2332286 -3.0103330 0.1156773 -0.0267028 0.1064105 -2.7937891 20 O -3.0373288 -0.1995331 0.0986785 -0.2332286 -3.0103330 -0.1156773 -0.0267028 -0.1064105 -2.7937891 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1860 Number of blocks in projector: 1860 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 220 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 220 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 220 Use standard eigh solver. Tree of FC basis block matrices: - (1860, 1816), data: False |-- (220, 215), data: True |-- (220, 215), data: True |-- (220, 215), data: True |-- (400, 391), data: True |-- (400, 390), data: True |-- (400, 390), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 640 - Time: 2.120 Solver_block: 200 / 640 - Time: 2.129 Solver_block: 300 / 640 - Time: 2.135 Solver_block: 400 / 640 - Time: 2.124 Solver_block: 500 / 640 - Time: 2.132 Solver_block: 600 / 640 - Time: 2.129 Solver_block: 640 / 640 - Time: 0.908 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 13.725 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1860 Number of blocks in projector: 1860 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 220 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 220 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 220 Use standard eigh solver. Tree of FC basis block matrices: - (1860, 1816), data: False |-- (220, 215), data: True |-- (220, 215), data: True |-- (220, 215), data: True |-- (400, 391), data: True |-- (400, 390), data: True |-- (400, 390), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-09 04:47:06]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 04:47:07]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.190134740001593 0.000000000000000 0.000000000000000 b 0.000000000000000 6.868017400000000 0.000000000000000 c -1.132616556386392 0.000000000000000 6.721382056664972 Atomic positions (fractional): 1 Tb 0.92306139177946 0.64194923837015 0.18066823867886 158.925 2 Tb 0.07693860822054 0.14194923837015 0.31933176132114 158.925 3 Tb 0.07693860822054 0.35805076162985 0.81933176132114 158.925 4 Tb 0.92306139177946 0.85805076162985 0.68066823867886 158.925 5 Tb 0.36319847973254 0.55429815046973 0.24995040419936 158.925 6 Tb 0.63680152026746 0.05429815046973 0.25004959580064 158.925 7 Tb 0.63680152026746 0.44570184953027 0.75004959580064 158.925 8 Tb 0.36319847973254 0.94570184953027 0.74995040419936 158.925 9 S 0.42274884632685 0.27782439040283 0.97050074000087 32.065 10 S 0.57725115367314 0.77782439040283 0.52949925999913 32.065 11 S 0.57725115367314 0.72217560959717 0.02949925999913 32.065 12 S 0.42274884632685 0.22217560959717 0.47050074000087 32.065 13 S 0.81948564591701 0.13540482547765 0.92790877099066 32.065 14 S 0.18051435408299 0.63540482547765 0.57209122900934 32.065 15 S 0.18051435408299 0.86459517452235 0.07209122900935 32.065 16 S 0.81948564591701 0.36459517452235 0.42790877099065 32.065 17 O 0.11697700182501 0.08727565925518 0.64963270000748 15.999 18 O 0.88302299817498 0.58727565925518 0.85036729999252 15.999 19 O 0.88302299817498 0.91272434074482 0.35036729999252 15.999 20 O 0.11697700182501 0.41272434074482 0.14963270000748 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.190134740001593 0.000000000000000 0.000000000000000 b 0.000000000000000 13.736034800000001 0.000000000000000 c -2.265233112772784 0.000000000000000 13.442764113329943 Atomic positions (fractional): 1 Tb 0.92306139177946 0.32097461918508 0.09033411933943 158.925 > 1 2 Tb 0.92306139177946 0.82097461918508 0.09033411933943 158.925 > 1 3 Tb 0.92306139177946 0.32097461918508 0.59033411933943 158.925 > 1 4 Tb 0.92306139177946 0.82097461918508 0.59033411933943 158.925 > 1 5 Tb 0.07693860822054 0.07097461918508 0.15966588066057 158.925 > 5 6 Tb 0.07693860822054 0.57097461918508 0.15966588066057 158.925 > 5 7 Tb 0.07693860822054 0.07097461918508 0.65966588066057 158.925 > 5 8 Tb 0.07693860822054 0.57097461918508 0.65966588066057 158.925 > 5 9 Tb 0.07693860822054 0.17902538081492 0.40966588066057 158.925 > 9 10 Tb 0.07693860822054 0.67902538081492 0.40966588066057 158.925 > 9 11 Tb 0.07693860822054 0.17902538081492 0.90966588066057 158.925 > 9 12 Tb 0.07693860822054 0.67902538081492 0.90966588066057 158.925 > 9 13 Tb 0.92306139177946 0.42902538081492 0.34033411933943 158.925 > 13 14 Tb 0.92306139177946 0.92902538081492 0.34033411933943 158.925 > 13 15 Tb 0.92306139177946 0.42902538081492 0.84033411933943 158.925 > 13 16 Tb 0.92306139177946 0.92902538081492 0.84033411933943 158.925 > 13 17 Tb 0.36319847973254 0.27714907523487 0.12497520209968 158.925 > 17 18 Tb 0.36319847973254 0.77714907523487 0.12497520209968 158.925 > 17 19 Tb 0.36319847973254 0.27714907523487 0.62497520209968 158.925 > 17 20 Tb 0.36319847973254 0.77714907523487 0.62497520209968 158.925 > 17 21 Tb 0.63680152026746 0.02714907523487 0.12502479790032 158.925 > 21 22 Tb 0.63680152026746 0.52714907523487 0.12502479790032 158.925 > 21 23 Tb 0.63680152026746 0.02714907523487 0.62502479790032 158.925 > 21 24 Tb 0.63680152026746 0.52714907523487 0.62502479790032 158.925 > 21 25 Tb 0.63680152026746 0.22285092476513 0.37502479790032 158.925 > 25 26 Tb 0.63680152026746 0.72285092476513 0.37502479790032 158.925 > 25 27 Tb 0.63680152026746 0.22285092476513 0.87502479790032 158.925 > 25 28 Tb 0.63680152026746 0.72285092476513 0.87502479790032 158.925 > 25 29 Tb 0.36319847973254 0.47285092476513 0.37497520209968 158.925 > 29 30 Tb 0.36319847973254 0.97285092476513 0.37497520209968 158.925 > 29 31 Tb 0.36319847973254 0.47285092476513 0.87497520209968 158.925 > 29 32 Tb 0.36319847973254 0.97285092476513 0.87497520209968 158.925 > 29 33 S 0.42274884632685 0.13891219520141 0.48525037000044 32.065 > 33 34 S 0.42274884632685 0.63891219520141 0.48525037000044 32.065 > 33 35 S 0.42274884632685 0.13891219520141 0.98525037000044 32.065 > 33 36 S 0.42274884632685 0.63891219520141 0.98525037000044 32.065 > 33 37 S 0.57725115367314 0.38891219520141 0.26474962999956 32.065 > 37 38 S 0.57725115367314 0.88891219520141 0.26474962999956 32.065 > 37 39 S 0.57725115367314 0.38891219520141 0.76474962999956 32.065 > 37 40 S 0.57725115367314 0.88891219520141 0.76474962999956 32.065 > 37 41 S 0.57725115367314 0.36108780479859 0.01474962999956 32.065 > 41 42 S 0.57725115367314 0.86108780479859 0.01474962999956 32.065 > 41 43 S 0.57725115367314 0.36108780479859 0.51474962999956 32.065 > 41 44 S 0.57725115367314 0.86108780479859 0.51474962999956 32.065 > 41 45 S 0.42274884632685 0.11108780479859 0.23525037000044 32.065 > 45 46 S 0.42274884632685 0.61108780479859 0.23525037000044 32.065 > 45 47 S 0.42274884632685 0.11108780479859 0.73525037000044 32.065 > 45 48 S 0.42274884632685 0.61108780479859 0.73525037000044 32.065 > 45 49 S 0.81948564591701 0.06770241273882 0.46395438549533 32.065 > 49 50 S 0.81948564591701 0.56770241273882 0.46395438549533 32.065 > 49 51 S 0.81948564591701 0.06770241273882 0.96395438549533 32.065 > 49 52 S 0.81948564591701 0.56770241273882 0.96395438549533 32.065 > 49 53 S 0.18051435408299 0.31770241273882 0.28604561450467 32.065 > 53 54 S 0.18051435408299 0.81770241273882 0.28604561450467 32.065 > 53 55 S 0.18051435408299 0.31770241273882 0.78604561450467 32.065 > 53 56 S 0.18051435408299 0.81770241273882 0.78604561450467 32.065 > 53 57 S 0.18051435408299 0.43229758726118 0.03604561450467 32.065 > 57 58 S 0.18051435408299 0.93229758726118 0.03604561450467 32.065 > 57 59 S 0.18051435408299 0.43229758726118 0.53604561450467 32.065 > 57 60 S 0.18051435408299 0.93229758726118 0.53604561450467 32.065 > 57 61 S 0.81948564591701 0.18229758726118 0.21395438549533 32.065 > 61 62 S 0.81948564591701 0.68229758726118 0.21395438549533 32.065 > 61 63 S 0.81948564591701 0.18229758726118 0.71395438549533 32.065 > 61 64 S 0.81948564591701 0.68229758726118 0.71395438549533 32.065 > 61 65 O 0.11697700182501 0.04363782962759 0.32481635000374 15.999 > 65 66 O 0.11697700182501 0.54363782962759 0.32481635000374 15.999 > 65 67 O 0.11697700182501 0.04363782962759 0.82481635000374 15.999 > 65 68 O 0.11697700182501 0.54363782962759 0.82481635000374 15.999 > 65 69 O 0.88302299817498 0.29363782962759 0.42518364999626 15.999 > 69 70 O 0.88302299817498 0.79363782962759 0.42518364999626 15.999 > 69 71 O 0.88302299817498 0.29363782962759 0.92518364999626 15.999 > 69 72 O 0.88302299817498 0.79363782962759 0.92518364999626 15.999 > 69 73 O 0.88302299817498 0.45636217037241 0.17518364999626 15.999 > 73 74 O 0.88302299817498 0.95636217037241 0.17518364999626 15.999 > 73 75 O 0.88302299817498 0.45636217037241 0.67518364999626 15.999 > 73 76 O 0.88302299817498 0.95636217037241 0.67518364999626 15.999 > 73 77 O 0.11697700182501 0.20636217037241 0.07481635000374 15.999 > 77 78 O 0.11697700182501 0.70636217037241 0.07481635000374 15.999 > 77 79 O 0.11697700182501 0.20636217037241 0.57481635000374 15.999 > 77 80 O 0.11697700182501 0.70636217037241 0.57481635000374 15.999 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.6241949 0.0000000 -0.2863373 0.0000000 6.7938540 0.0000000 -0.2863422 0.0000000 6.6841587 -------------------------- Born effective charges -------------------------- 1 Tb 4.0396080 -0.2201383 -0.3223072 -0.1517660 3.9860188 0.0365617 -0.1523630 0.0158603 4.0878730 2 Tb 4.0396080 0.2201383 -0.3223072 0.1517660 3.9860188 -0.0365617 -0.1523630 -0.0158603 4.0878730 3 Tb 4.0396080 -0.2201383 -0.3223072 -0.1517660 3.9860188 0.0365617 -0.1523630 0.0158603 4.0878730 4 Tb 4.0396080 0.2201383 -0.3223072 0.1517660 3.9860188 -0.0365617 -0.1523630 -0.0158603 4.0878730 5 Tb 3.8295155 -0.0549807 -0.0908348 0.1467065 4.1742254 -0.0218039 -0.1008633 -0.1167838 3.6949181 6 Tb 3.8295155 0.0549807 -0.0908348 -0.1467065 4.1742254 0.0218039 -0.1008633 0.1167838 3.6949181 7 Tb 3.8295155 -0.0549807 -0.0908348 0.1467065 4.1742254 -0.0218039 -0.1008633 -0.1167838 3.6949181 8 Tb 3.8295155 0.0549807 -0.0908348 -0.1467065 4.1742254 0.0218039 -0.1008633 0.1167838 3.6949181 9 S -2.2720972 0.2486678 -0.0987397 0.1298038 -2.6911969 -0.1591114 -0.0021046 -0.3784713 -2.4158915 10 S -2.2720972 -0.2486678 -0.0987397 -0.1298038 -2.6911969 0.1591114 -0.0021046 0.3784713 -2.4158915 11 S -2.2720972 0.2486678 -0.0987397 0.1298038 -2.6911969 -0.1591114 -0.0021046 -0.3784713 -2.4158915 12 S -2.2720972 -0.2486678 -0.0987397 -0.1298038 -2.6911969 0.1591114 -0.0021046 0.3784713 -2.4158915 13 S -2.5596975 0.1669696 0.4132031 0.1839185 -2.4587144 0.1990813 0.2820337 0.1854878 -2.5731104 14 S -2.5596975 -0.1669696 0.4132031 -0.1839185 -2.4587144 -0.1990813 0.2820337 -0.1854878 -2.5731104 15 S -2.5596975 0.1669696 0.4132031 0.1839185 -2.4587144 0.1990813 0.2820337 0.1854878 -2.5731104 16 S -2.5596975 -0.1669696 0.4132031 -0.1839185 -2.4587144 -0.1990813 0.2820337 -0.1854878 -2.5731104 17 O -3.0373288 0.1995331 0.0986785 0.2332286 -3.0103330 0.1156773 -0.0267028 0.1064105 -2.7937891 18 O -3.0373288 -0.1995331 0.0986785 -0.2332286 -3.0103330 -0.1156773 -0.0267028 -0.1064105 -2.7937891 19 O -3.0373288 0.1995331 0.0986785 0.2332286 -3.0103330 0.1156773 -0.0267028 0.1064105 -2.7937891 20 O -3.0373288 -0.1995331 0.0986785 -0.2332286 -3.0103330 -0.1156773 -0.0267028 -0.1064105 -2.7937891 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0017 0.0000 0.0099] [ 0.0017 0.0000 -0.0099] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0017 0.0000 0.0099] [ 0.0017 0.0000 -0.0099] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0017 0.0000 0.0099] [ 0.0017 0.0000 -0.0099] 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 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0017 0.0000 0.0099] [ 0.0017 0.0000 -0.0099] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0017 0.0000 0.0099] [ 0.0017 0.0000 -0.0099] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000002 (xxz) 0.00000002 (xxz) 0.00000002 (xzx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (xz) -0.00000001 (xz) 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 2026-01-09 04:47:20]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 04:47:21]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.190134740001593 0.000000000000000 0.000000000000000 b 0.000000000000000 6.868017400000000 0.000000000000000 c -1.132616556386392 0.000000000000000 6.721382056664972 Atomic positions (fractional): 1 Tb 0.92306139177946 0.64194923837015 0.18066823867886 158.925 2 Tb 0.07693860822054 0.14194923837015 0.31933176132114 158.925 3 Tb 0.07693860822054 0.35805076162985 0.81933176132114 158.925 4 Tb 0.92306139177946 0.85805076162985 0.68066823867886 158.925 5 Tb 0.36319847973254 0.55429815046973 0.24995040419936 158.925 6 Tb 0.63680152026746 0.05429815046973 0.25004959580064 158.925 7 Tb 0.63680152026746 0.44570184953027 0.75004959580064 158.925 8 Tb 0.36319847973254 0.94570184953027 0.74995040419936 158.925 9 S 0.42274884632685 0.27782439040283 0.97050074000087 32.065 10 S 0.57725115367314 0.77782439040283 0.52949925999913 32.065 11 S 0.57725115367314 0.72217560959717 0.02949925999913 32.065 12 S 0.42274884632685 0.22217560959717 0.47050074000087 32.065 13 S 0.81948564591701 0.13540482547765 0.92790877099066 32.065 14 S 0.18051435408299 0.63540482547765 0.57209122900934 32.065 15 S 0.18051435408299 0.86459517452235 0.07209122900935 32.065 16 S 0.81948564591701 0.36459517452235 0.42790877099065 32.065 17 O 0.11697700182501 0.08727565925518 0.64963270000748 15.999 18 O 0.88302299817498 0.58727565925518 0.85036729999252 15.999 19 O 0.88302299817498 0.91272434074482 0.35036729999252 15.999 20 O 0.11697700182501 0.41272434074482 0.14963270000748 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.190134740001593 0.000000000000000 0.000000000000000 b 0.000000000000000 13.736034800000001 0.000000000000000 c -2.265233112772784 0.000000000000000 13.442764113329943 Atomic positions (fractional): 1 Tb 0.92306139177946 0.32097461918508 0.09033411933943 158.925 > 1 2 Tb 0.92306139177946 0.82097461918508 0.09033411933943 158.925 > 1 3 Tb 0.92306139177946 0.32097461918508 0.59033411933943 158.925 > 1 4 Tb 0.92306139177946 0.82097461918508 0.59033411933943 158.925 > 1 5 Tb 0.07693860822054 0.07097461918508 0.15966588066057 158.925 > 5 6 Tb 0.07693860822054 0.57097461918508 0.15966588066057 158.925 > 5 7 Tb 0.07693860822054 0.07097461918508 0.65966588066057 158.925 > 5 8 Tb 0.07693860822054 0.57097461918508 0.65966588066057 158.925 > 5 9 Tb 0.07693860822054 0.17902538081492 0.40966588066057 158.925 > 9 10 Tb 0.07693860822054 0.67902538081492 0.40966588066057 158.925 > 9 11 Tb 0.07693860822054 0.17902538081492 0.90966588066057 158.925 > 9 12 Tb 0.07693860822054 0.67902538081492 0.90966588066057 158.925 > 9 13 Tb 0.92306139177946 0.42902538081492 0.34033411933943 158.925 > 13 14 Tb 0.92306139177946 0.92902538081492 0.34033411933943 158.925 > 13 15 Tb 0.92306139177946 0.42902538081492 0.84033411933943 158.925 > 13 16 Tb 0.92306139177946 0.92902538081492 0.84033411933943 158.925 > 13 17 Tb 0.36319847973254 0.27714907523487 0.12497520209968 158.925 > 17 18 Tb 0.36319847973254 0.77714907523487 0.12497520209968 158.925 > 17 19 Tb 0.36319847973254 0.27714907523487 0.62497520209968 158.925 > 17 20 Tb 0.36319847973254 0.77714907523487 0.62497520209968 158.925 > 17 21 Tb 0.63680152026746 0.02714907523487 0.12502479790032 158.925 > 21 22 Tb 0.63680152026746 0.52714907523487 0.12502479790032 158.925 > 21 23 Tb 0.63680152026746 0.02714907523487 0.62502479790032 158.925 > 21 24 Tb 0.63680152026746 0.52714907523487 0.62502479790032 158.925 > 21 25 Tb 0.63680152026746 0.22285092476513 0.37502479790032 158.925 > 25 26 Tb 0.63680152026746 0.72285092476513 0.37502479790032 158.925 > 25 27 Tb 0.63680152026746 0.22285092476513 0.87502479790032 158.925 > 25 28 Tb 0.63680152026746 0.72285092476513 0.87502479790032 158.925 > 25 29 Tb 0.36319847973254 0.47285092476513 0.37497520209968 158.925 > 29 30 Tb 0.36319847973254 0.97285092476513 0.37497520209968 158.925 > 29 31 Tb 0.36319847973254 0.47285092476513 0.87497520209968 158.925 > 29 32 Tb 0.36319847973254 0.97285092476513 0.87497520209968 158.925 > 29 33 S 0.42274884632685 0.13891219520141 0.48525037000044 32.065 > 33 34 S 0.42274884632685 0.63891219520141 0.48525037000044 32.065 > 33 35 S 0.42274884632685 0.13891219520141 0.98525037000044 32.065 > 33 36 S 0.42274884632685 0.63891219520141 0.98525037000044 32.065 > 33 37 S 0.57725115367314 0.38891219520141 0.26474962999956 32.065 > 37 38 S 0.57725115367314 0.88891219520141 0.26474962999956 32.065 > 37 39 S 0.57725115367314 0.38891219520141 0.76474962999956 32.065 > 37 40 S 0.57725115367314 0.88891219520141 0.76474962999956 32.065 > 37 41 S 0.57725115367314 0.36108780479859 0.01474962999956 32.065 > 41 42 S 0.57725115367314 0.86108780479859 0.01474962999956 32.065 > 41 43 S 0.57725115367314 0.36108780479859 0.51474962999956 32.065 > 41 44 S 0.57725115367314 0.86108780479859 0.51474962999956 32.065 > 41 45 S 0.42274884632685 0.11108780479859 0.23525037000044 32.065 > 45 46 S 0.42274884632685 0.61108780479859 0.23525037000044 32.065 > 45 47 S 0.42274884632685 0.11108780479859 0.73525037000044 32.065 > 45 48 S 0.42274884632685 0.61108780479859 0.73525037000044 32.065 > 45 49 S 0.81948564591701 0.06770241273882 0.46395438549533 32.065 > 49 50 S 0.81948564591701 0.56770241273882 0.46395438549533 32.065 > 49 51 S 0.81948564591701 0.06770241273882 0.96395438549533 32.065 > 49 52 S 0.81948564591701 0.56770241273882 0.96395438549533 32.065 > 49 53 S 0.18051435408299 0.31770241273882 0.28604561450467 32.065 > 53 54 S 0.18051435408299 0.81770241273882 0.28604561450467 32.065 > 53 55 S 0.18051435408299 0.31770241273882 0.78604561450467 32.065 > 53 56 S 0.18051435408299 0.81770241273882 0.78604561450467 32.065 > 53 57 S 0.18051435408299 0.43229758726118 0.03604561450467 32.065 > 57 58 S 0.18051435408299 0.93229758726118 0.03604561450467 32.065 > 57 59 S 0.18051435408299 0.43229758726118 0.53604561450467 32.065 > 57 60 S 0.18051435408299 0.93229758726118 0.53604561450467 32.065 > 57 61 S 0.81948564591701 0.18229758726118 0.21395438549533 32.065 > 61 62 S 0.81948564591701 0.68229758726118 0.21395438549533 32.065 > 61 63 S 0.81948564591701 0.18229758726118 0.71395438549533 32.065 > 61 64 S 0.81948564591701 0.68229758726118 0.71395438549533 32.065 > 61 65 O 0.11697700182501 0.04363782962759 0.32481635000374 15.999 > 65 66 O 0.11697700182501 0.54363782962759 0.32481635000374 15.999 > 65 67 O 0.11697700182501 0.04363782962759 0.82481635000374 15.999 > 65 68 O 0.11697700182501 0.54363782962759 0.82481635000374 15.999 > 65 69 O 0.88302299817498 0.29363782962759 0.42518364999626 15.999 > 69 70 O 0.88302299817498 0.79363782962759 0.42518364999626 15.999 > 69 71 O 0.88302299817498 0.29363782962759 0.92518364999626 15.999 > 69 72 O 0.88302299817498 0.79363782962759 0.92518364999626 15.999 > 69 73 O 0.88302299817498 0.45636217037241 0.17518364999626 15.999 > 73 74 O 0.88302299817498 0.95636217037241 0.17518364999626 15.999 > 73 75 O 0.88302299817498 0.45636217037241 0.67518364999626 15.999 > 73 76 O 0.88302299817498 0.95636217037241 0.67518364999626 15.999 > 73 77 O 0.11697700182501 0.20636217037241 0.07481635000374 15.999 > 77 78 O 0.11697700182501 0.70636217037241 0.07481635000374 15.999 > 77 79 O 0.11697700182501 0.20636217037241 0.57481635000374 15.999 > 77 80 O 0.11697700182501 0.70636217037241 0.57481635000374 15.999 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.6241949 0.0000000 -0.2863373 0.0000000 6.7938540 0.0000000 -0.2863422 0.0000000 6.6841587 -------------------------- Born effective charges -------------------------- 1 Tb 4.0396080 -0.2201383 -0.3223072 -0.1517660 3.9860188 0.0365617 -0.1523630 0.0158603 4.0878730 2 Tb 4.0396080 0.2201383 -0.3223072 0.1517660 3.9860188 -0.0365617 -0.1523630 -0.0158603 4.0878730 3 Tb 4.0396080 -0.2201383 -0.3223072 -0.1517660 3.9860188 0.0365617 -0.1523630 0.0158603 4.0878730 4 Tb 4.0396080 0.2201383 -0.3223072 0.1517660 3.9860188 -0.0365617 -0.1523630 -0.0158603 4.0878730 5 Tb 3.8295155 -0.0549807 -0.0908348 0.1467065 4.1742254 -0.0218039 -0.1008633 -0.1167838 3.6949181 6 Tb 3.8295155 0.0549807 -0.0908348 -0.1467065 4.1742254 0.0218039 -0.1008633 0.1167838 3.6949181 7 Tb 3.8295155 -0.0549807 -0.0908348 0.1467065 4.1742254 -0.0218039 -0.1008633 -0.1167838 3.6949181 8 Tb 3.8295155 0.0549807 -0.0908348 -0.1467065 4.1742254 0.0218039 -0.1008633 0.1167838 3.6949181 9 S -2.2720972 0.2486678 -0.0987397 0.1298038 -2.6911969 -0.1591114 -0.0021046 -0.3784713 -2.4158915 10 S -2.2720972 -0.2486678 -0.0987397 -0.1298038 -2.6911969 0.1591114 -0.0021046 0.3784713 -2.4158915 11 S -2.2720972 0.2486678 -0.0987397 0.1298038 -2.6911969 -0.1591114 -0.0021046 -0.3784713 -2.4158915 12 S -2.2720972 -0.2486678 -0.0987397 -0.1298038 -2.6911969 0.1591114 -0.0021046 0.3784713 -2.4158915 13 S -2.5596975 0.1669696 0.4132031 0.1839185 -2.4587144 0.1990813 0.2820337 0.1854878 -2.5731104 14 S -2.5596975 -0.1669696 0.4132031 -0.1839185 -2.4587144 -0.1990813 0.2820337 -0.1854878 -2.5731104 15 S -2.5596975 0.1669696 0.4132031 0.1839185 -2.4587144 0.1990813 0.2820337 0.1854878 -2.5731104 16 S -2.5596975 -0.1669696 0.4132031 -0.1839185 -2.4587144 -0.1990813 0.2820337 -0.1854878 -2.5731104 17 O -3.0373288 0.1995331 0.0986785 0.2332286 -3.0103330 0.1156773 -0.0267028 0.1064105 -2.7937891 18 O -3.0373288 -0.1995331 0.0986785 -0.2332286 -3.0103330 -0.1156773 -0.0267028 -0.1064105 -2.7937891 19 O -3.0373288 0.1995331 0.0986785 0.2332286 -3.0103330 0.1156773 -0.0267028 0.1064105 -2.7937891 20 O -3.0373288 -0.1995331 0.0986785 -0.2332286 -3.0103330 -0.1156773 -0.0267028 -0.1064105 -2.7937891 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000002 (xxz) 0.00000002 (xxz) 0.00000002 (xzx) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 7 7 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.57, Number of G-points: 301, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/88) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.911 ( 0.000 0.000 0.000) 0.000 1.953 ( 0.000 0.000 0.000) 0.000 2.470 ( 0.000 0.000 0.000) 0.000 2.487 ( 0.000 0.000 0.000) 0.000 2.506 ( 0.000 0.000 0.000) 0.000 2.890 ( 0.000 0.000 0.000) 0.000 2.959 ( 0.000 0.000 0.000) 0.000 2.967 ( 0.000 0.000 0.000) 0.000 3.116 ( 0.000 0.000 0.000) 0.000 3.241 ( 0.000 0.000 0.000) 0.000 3.375 ( 0.000 0.000 0.000) 0.000 3.548 ( 0.000 0.000 0.000) 0.000 3.724 ( 0.000 0.000 0.000) 0.000 3.791 ( 0.000 0.000 0.000) 0.000 3.877 ( 0.000 0.000 0.000) 0.000 4.288 ( 0.000 0.000 0.000) 0.000 4.294 ( 0.000 0.000 0.000) 0.000 4.653 ( 0.000 0.000 0.000) 0.000 4.745 ( 0.000 0.000 0.000) 0.000 4.787 ( 0.000 0.000 0.000) 0.000 5.286 ( 0.000 0.000 0.000) 0.000 5.321 ( 0.000 0.000 0.000) 0.000 5.345 ( 0.000 0.000 0.000) 0.000 5.677 ( 0.000 0.000 0.000) 0.000 5.873 ( 0.000 0.000 0.000) 0.000 5.876 ( 0.000 0.000 0.000) 0.000 6.158 ( 0.000 0.000 0.000) 0.000 6.201 ( 0.000 0.000 0.000) 0.000 6.323 ( 0.000 0.000 0.000) 0.000 6.570 ( 0.000 0.000 0.000) 0.000 6.616 ( 0.000 0.000 0.000) 0.000 6.833 ( 0.000 0.000 0.000) 0.000 6.857 ( 0.000 0.000 0.000) 0.000 7.002 ( 0.000 0.000 0.000) 0.000 7.048 ( 0.000 0.000 0.000) 0.000 7.117 ( 0.000 0.000 0.000) 0.000 7.263 ( 0.000 0.000 0.000) 0.000 7.742 ( 0.000 0.000 0.000) 0.000 7.868 ( 0.000 0.000 0.000) 0.000 8.210 ( 0.000 0.000 0.000) 0.000 8.254 ( 0.000 0.000 0.000) 0.000 8.262 ( 0.000 0.000 0.000) 0.000 8.375 ( 0.000 0.000 0.000) 0.000 8.962 ( 0.000 0.000 0.000) 0.000 9.073 ( 0.000 0.000 0.000) 0.000 11.534 ( 0.000 0.000 0.000) 0.000 11.553 ( 0.000 0.000 0.000) 0.000 11.642 ( 0.000 0.000 0.000) 0.000 11.740 ( 0.000 0.000 0.000) 0.000 12.468 ( 0.000 0.000 0.000) 0.000 12.589 ( 0.000 0.000 0.000) 0.000 12.722 ( 0.000 0.000 0.000) 0.000 12.942 ( 0.000 0.000 0.000) 0.000 13.897 ( 0.000 0.000 0.000) 0.000 13.905 ( 0.000 0.000 0.000) 0.000 14.160 ( 0.000 0.000 0.000) 0.000 15.612 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/88) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.481 ( 23.574 0.000 0.100) 23.574 0.543 ( 26.320 0.000 -0.196) 26.321 0.822 ( 39.397 0.000 -3.204) 39.527 1.928 ( 1.592 0.000 -0.357) 1.631 1.979 ( 1.134 0.000 1.912) 2.223 2.206 ( -16.268 0.000 0.437) 16.274 2.500 ( 2.938 0.000 0.496) 2.979 2.686 ( -15.343 0.000 3.646) 15.770 2.728 ( 8.990 0.000 1.766) 9.161 2.938 ( -2.324 0.000 -1.293) 2.659 2.998 ( 2.670 0.000 1.987) 3.328 3.097 ( -0.103 0.000 -1.572) 1.575 3.332 ( 0.103 0.000 0.392) 0.406 3.375 ( 3.070 0.000 0.505) 3.111 3.392 ( -14.191 0.000 -0.253) 14.194 3.572 ( -4.056 0.000 2.291) 4.658 3.931 ( 6.454 0.000 -6.335) 9.044 4.081 ( 14.142 0.000 -3.926) 14.677 4.229 ( -4.929 0.000 0.975) 5.025 4.309 ( -0.827 0.000 6.680) 6.731 4.547 ( -7.158 0.000 0.761) 7.198 4.819 ( 3.810 0.000 0.502) 3.843 4.979 ( 0.899 0.000 21.200) 21.219 5.200 ( -7.791 0.000 -4.149) 8.827 5.310 ( -2.503 0.000 -1.504) 2.920 5.335 ( -1.254 0.000 1.243) 1.765 5.660 ( -2.100 0.000 1.452) 2.553 5.893 ( 1.561 0.000 0.122) 1.566 6.116 ( -1.630 0.000 0.638) 1.750 6.157 ( -0.838 0.000 3.964) 4.051 6.272 ( 3.587 0.000 2.907) 4.617 6.532 ( -2.416 0.000 2.341) 3.365 6.633 ( 0.357 0.000 -1.274) 1.324 6.726 ( -4.136 0.000 -0.044) 4.136 6.908 ( -5.499 0.000 -1.830) 5.795 6.995 ( 8.545 0.000 -8.225) 11.860 7.036 ( -0.532 0.000 0.260) 0.592 7.215 ( -1.902 0.000 19.869) 19.959 7.221 ( 7.035 0.000 -0.819) 7.082 7.744 ( -0.098 0.000 1.029) 1.034 7.794 ( 3.879 0.000 -20.756) 21.115 7.877 ( 1.027 0.000 -1.267) 1.631 8.241 ( -1.396 0.000 0.268) 1.422 8.242 ( -1.812 0.000 -0.353) 1.846 8.375 ( 0.176 0.000 -0.883) 0.901 8.777 ( 3.364 0.000 -25.264) 25.487 8.978 ( 0.989 0.000 2.009) 2.239 9.069 ( 0.254 0.000 -2.908) 2.919 11.512 ( -1.340 0.000 -0.772) 1.546 11.551 ( -0.671 0.000 0.677) 0.953 11.652 ( 0.951 0.000 -0.167) 0.965 11.795 ( 2.979 0.000 -17.214) 17.470 12.474 ( 0.526 0.000 -0.359) 0.637 12.585 ( -0.518 0.000 1.436) 1.527 12.727 ( 0.551 0.000 -0.628) 0.835 13.845 ( -0.455 0.000 -4.148) 4.173 13.924 ( 1.728 0.000 -0.124) 1.733 14.168 ( 0.726 0.000 -0.373) 0.816 14.578 ( -4.280 0.000 21.190) 21.618 15.610 ( -0.123 0.000 -0.268) 0.294 ======================= Grid point 2 (3/88) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( 23.170 0.000 -0.082) 23.170 1.058 ( 23.786 0.000 -0.396) 23.790 1.539 ( 30.499 0.000 -3.071) 30.653 1.838 ( -18.861 0.000 -0.985) 18.886 1.935 ( -8.045 0.000 0.937) 8.099 1.968 ( 0.824 0.000 2.040) 2.200 2.401 ( -10.050 0.000 2.619) 10.385 2.611 ( 5.814 0.000 1.643) 6.041 2.850 ( -0.138 0.000 -0.633) 0.648 2.891 ( -0.496 0.000 0.481) 0.691 3.065 ( 2.131 0.000 3.022) 3.698 3.099 ( 0.439 0.000 1.916) 1.965 3.114 ( -10.466 0.000 0.020) 10.466 3.277 ( -2.896 0.000 -3.802) 4.779 3.416 ( -0.271 0.000 0.406) 0.488 3.495 ( -4.464 0.000 2.448) 5.091 4.081 ( 9.843 0.000 -8.482) 12.993 4.099 ( -3.657 0.000 -4.415) 5.732 4.235 ( -0.950 0.000 3.362) 3.494 4.404 ( -7.563 0.000 4.319) 8.709 4.449 ( 12.607 0.000 2.502) 12.853 4.865 ( 0.528 0.000 -0.079) 0.534 4.986 ( -10.983 0.000 -1.071) 11.035 5.088 ( 3.553 0.000 8.782) 9.474 5.269 ( -0.340 0.000 -1.848) 1.879 5.288 ( -2.833 0.000 -3.214) 4.284 5.604 ( -3.415 0.000 1.673) 3.803 5.930 ( 1.656 0.000 0.198) 1.668 6.104 ( -0.240 0.000 1.536) 1.554 6.155 ( -0.204 0.000 0.859) 0.883 6.341 ( 2.076 0.000 2.434) 3.199 6.515 ( 0.198 0.000 1.837) 1.848 6.606 ( -2.446 0.000 -0.951) 2.624 6.665 ( -2.040 0.000 0.413) 2.081 6.811 ( -3.023 0.000 -1.971) 3.609 7.000 ( -0.823 0.000 -3.029) 3.139 7.130 ( 3.761 0.000 1.005) 3.894 7.259 ( 2.214 0.000 2.911) 3.657 7.356 ( 5.986 0.000 -1.211) 6.107 7.738 ( -0.853 0.000 1.221) 1.489 7.812 ( 1.751 0.000 -2.035) 2.684 7.896 ( 1.036 0.000 -0.905) 1.375 8.196 ( -2.130 0.000 -0.495) 2.186 8.201 ( -2.245 0.000 -0.258) 2.259 8.376 ( 0.261 0.000 -0.789) 0.831 8.756 ( 0.591 0.000 -9.041) 9.060 9.002 ( 0.405 0.000 2.040) 2.080 9.070 ( 0.835 0.000 -3.032) 3.145 11.489 ( -0.544 0.000 -0.457) 0.710 11.531 ( -1.333 0.000 0.408) 1.394 11.673 ( 0.965 0.000 -0.165) 0.979 11.797 ( 1.011 0.000 -5.581) 5.672 12.484 ( 0.541 0.000 -0.373) 0.657 12.580 ( -0.387 0.000 1.235) 1.294 12.735 ( 0.333 0.000 -0.479) 0.583 13.819 ( -0.921 0.000 -1.456) 1.723 13.962 ( 1.727 0.000 -0.099) 1.730 14.183 ( 0.795 0.000 -0.506) 0.943 14.561 ( -2.035 0.000 7.537) 7.807 15.607 ( -0.131 0.000 -0.272) 0.302 ======================= Grid point 3 (4/88) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( -0.000 0.000 -0.000) 0.000 1.403 ( -0.000 0.000 -0.000) 0.000 1.432 ( 0.000 0.000 -0.000) 0.000 1.742 ( 0.000 0.000 0.000) 0.000 1.905 ( 0.000 0.000 0.000) 0.000 1.978 ( 0.000 0.000 0.000) 0.000 2.312 ( 0.000 0.000 0.000) 0.000 2.694 ( 0.000 0.000 -0.000) 0.000 2.790 ( 0.000 0.000 0.000) 0.000 2.859 ( 0.000 0.000 -0.000) 0.000 3.051 ( 0.000 0.000 0.000) 0.000 3.091 ( -0.000 0.000 -0.000) 0.000 3.110 ( 0.000 0.000 0.000) 0.000 3.233 ( 0.000 0.000 0.000) 0.000 3.404 ( 0.000 0.000 0.000) 0.000 3.442 ( 0.000 0.000 0.000) 0.000 4.051 ( 0.000 0.000 0.000) 0.000 4.219 ( 0.000 0.000 0.000) 0.000 4.223 ( 0.000 0.000 0.000) 0.000 4.288 ( 0.000 0.000 -0.000) 0.000 4.675 ( -0.000 0.000 -0.000) 0.000 4.781 ( 0.000 0.000 0.000) 0.000 4.862 ( 0.000 0.000 -0.000) 0.000 5.176 ( -0.000 0.000 -0.000) 0.000 5.219 ( 0.000 0.000 0.000) 0.000 5.271 ( 0.000 0.000 0.000) 0.000 5.565 ( 0.000 0.000 0.000) 0.000 5.949 ( 0.000 0.000 0.000) 0.000 6.105 ( 0.000 0.000 0.000) 0.000 6.154 ( 0.000 0.000 -0.000) 0.000 6.368 ( 0.000 0.000 0.000) 0.000 6.546 ( 0.000 0.000 0.000) 0.000 6.551 ( -0.000 0.000 -0.000) 0.000 6.645 ( 0.000 0.000 -0.000) 0.000 6.776 ( 0.000 0.000 0.000) 0.000 6.985 ( 0.000 0.000 0.000) 0.000 7.165 ( 0.000 0.000 -0.000) 0.000 7.294 ( 0.000 0.000 0.000) 0.000 7.423 ( 0.000 0.000 -0.000) 0.000 7.727 ( 0.000 0.000 0.000) 0.000 7.833 ( 0.000 0.000 0.000) 0.000 7.906 ( 0.000 0.000 0.000) 0.000 8.170 ( 0.000 0.000 -0.000) 0.000 8.171 ( 0.000 0.000 0.000) 0.000 8.378 ( 0.000 0.000 0.000) 0.000 8.746 ( 0.000 0.000 -0.000) 0.000 9.008 ( 0.000 0.000 -0.000) 0.000 9.075 ( 0.000 0.000 0.000) 0.000 11.486 ( 0.000 0.000 0.000) 0.000 11.514 ( 0.000 0.000 -0.000) 0.000 11.684 ( 0.000 0.000 0.000) 0.000 11.797 ( 0.000 0.000 0.000) 0.000 12.490 ( 0.000 0.000 0.000) 0.000 12.578 ( 0.000 0.000 0.000) 0.000 12.738 ( 0.000 0.000 0.000) 0.000 13.806 ( 0.000 0.000 -0.000) 0.000 13.982 ( 0.000 0.000 -0.000) 0.000 14.191 ( 0.000 0.000 0.000) 0.000 14.552 ( 0.000 0.000 0.000) 0.000 15.605 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 7 (5/88) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.557 ( 0.000 26.459 0.000) 26.459 0.586 ( 0.000 27.393 0.000) 27.393 0.990 ( 0.000 46.355 0.000) 46.355 1.995 ( 0.000 2.469 0.000) 2.469 2.050 ( 0.000 11.906 0.000) 11.906 2.461 ( 0.000 -1.199 0.000) 1.199 2.496 ( 0.000 -0.412 0.000) 0.412 2.502 ( 0.000 1.100 0.000) 1.100 2.821 ( 0.000 -9.851 0.000) 9.851 2.902 ( 0.000 0.944 0.000) 0.944 2.948 ( 0.000 -3.289 0.000) 3.289 3.023 ( 0.000 -9.745 0.000) 9.745 3.220 ( 0.000 -1.387 0.000) 1.387 3.356 ( 0.000 1.001 0.000) 1.001 3.603 ( 0.000 2.372 0.000) 2.372 3.743 ( 0.000 -7.226 0.000) 7.226 3.843 ( 0.000 10.369 0.000) 10.369 3.867 ( 0.000 1.139 0.000) 1.139 4.192 ( 0.000 -6.733 0.000) 6.733 4.264 ( 0.000 -2.673 0.000) 2.673 4.576 ( 0.000 -6.302 0.000) 6.302 4.800 ( 0.000 0.343 0.000) 0.343 4.931 ( 0.000 11.879 0.000) 11.879 5.162 ( 0.000 -11.082 0.000) 11.082 5.232 ( 0.000 -2.378 0.000) 2.378 5.432 ( 0.000 3.092 0.000) 3.092 5.621 ( 0.000 -4.738 0.000) 4.738 5.863 ( 0.000 -0.888 0.000) 0.888 5.878 ( 0.000 0.157 0.000) 0.157 6.176 ( 0.000 1.094 0.000) 1.094 6.385 ( 0.000 -0.536 0.000) 0.536 6.391 ( 0.000 6.051 0.000) 6.051 6.591 ( 0.000 -1.912 0.000) 1.912 6.743 ( 0.000 -12.684 0.000) 12.684 6.864 ( 0.000 2.215 0.000) 2.215 6.901 ( 0.000 1.218 0.000) 1.218 7.017 ( 0.000 -4.694 0.000) 4.694 7.231 ( 0.000 6.037 0.000) 6.037 7.351 ( 0.000 6.009 0.000) 6.009 7.744 ( 0.000 0.411 0.000) 0.411 7.881 ( 0.000 1.143 0.000) 1.143 8.179 ( 0.000 -2.885 0.000) 2.885 8.196 ( 0.000 -0.555 0.000) 0.555 8.278 ( 0.000 1.010 0.000) 1.010 8.291 ( 0.000 -3.433 0.000) 3.433 8.450 ( 0.000 4.792 0.000) 4.792 9.095 ( 0.000 1.943 0.000) 1.943 9.268 ( 0.000 -0.659 0.000) 0.659 11.546 ( 0.000 -0.538 0.000) 0.538 11.620 ( 0.000 -1.749 0.000) 1.749 11.753 ( 0.000 1.243 0.000) 1.243 12.066 ( 0.000 5.194 0.000) 5.194 12.385 ( 0.000 -7.103 0.000) 7.103 12.731 ( 0.000 0.253 0.000) 0.253 12.930 ( 0.000 -0.400 0.000) 0.400 13.408 ( 0.000 8.055 0.000) 8.055 13.917 ( 0.000 1.745 0.000) 1.745 13.971 ( 0.000 -13.659 0.000) 13.659 14.718 ( 0.000 11.875 0.000) 11.875 15.586 ( 0.000 -2.588 0.000) 2.588 ======================= Grid point 8 (6/88) ======================= q-point: ( 0.17 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.629 ( 10.453 19.011 0.770) 21.708 0.748 ( 16.200 19.371 1.153) 25.278 1.331 ( 24.752 33.479 -2.574) 41.714 2.008 ( 0.740 3.376 1.092) 3.625 2.072 ( 1.277 11.142 1.689) 11.341 2.204 ( -14.643 0.570 -1.086) 14.694 2.485 ( 1.720 -1.642 0.265) 2.393 2.673 ( -12.698 -0.981 3.278) 13.151 2.721 ( 6.212 -0.920 1.283) 6.410 2.871 ( 3.557 -7.276 2.166) 8.383 2.935 ( -1.395 -3.724 1.364) 4.204 3.067 ( 2.335 -2.605 -1.901) 3.982 3.286 ( 1.364 -3.505 2.371) 4.446 3.340 ( -1.253 0.087 -4.795) 4.957 3.407 ( -10.367 1.091 -0.769) 10.452 3.725 ( -4.744 10.301 3.218) 11.789 3.837 ( 5.111 -7.679 -6.300) 11.170 4.104 ( 8.896 0.527 -6.540) 11.054 4.146 ( 0.652 -4.842 5.977) 7.720 4.265 ( -0.277 -3.691 3.892) 5.371 4.548 ( -3.297 -2.934 0.246) 4.420 4.885 ( 1.290 -0.356 6.907) 7.036 4.935 ( 2.363 3.103 3.578) 5.293 5.064 ( -6.470 -8.155 -1.549) 10.525 5.257 ( 0.487 -3.038 -1.179) 3.295 5.391 ( -2.539 3.494 -2.189) 4.843 5.625 ( -1.080 -3.456 1.606) 3.960 5.885 ( 1.246 -0.835 -0.527) 1.589 6.025 ( 7.962 -4.818 0.664) 9.330 6.158 ( -0.836 0.171 0.565) 1.023 6.327 ( -1.387 4.448 3.689) 5.943 6.422 ( -0.409 -1.882 0.756) 2.069 6.593 ( -0.542 -2.756 -0.013) 2.809 6.709 ( -2.389 -8.977 -0.999) 9.343 6.803 ( -3.146 1.924 0.836) 3.781 6.933 ( 1.406 -6.562 -6.359) 9.245 7.104 ( 7.951 3.317 -1.823) 8.806 7.252 ( 0.822 3.083 6.748) 7.464 7.346 ( -0.231 6.385 1.591) 6.584 7.747 ( -0.207 0.904 1.275) 1.577 7.854 ( -0.255 0.734 -3.655) 3.737 8.038 ( -7.022 9.368 -0.374) 11.713 8.223 ( -0.248 -1.638 0.770) 1.827 8.269 ( -0.737 1.670 -0.299) 1.850 8.333 ( 3.252 -3.725 -3.121) 5.847 8.560 ( 6.781 -5.169 -5.949) 10.397 9.070 ( -1.704 2.375 -3.217) 4.347 9.191 ( -3.209 4.793 -3.065) 6.532 11.535 ( -0.827 -0.285 -0.505) 1.010 11.632 ( 0.934 -1.408 0.217) 1.703 11.723 ( -5.268 6.283 9.854) 12.819 11.875 ( -4.346 9.241 -20.850) 23.217 12.357 ( -0.139 -6.121 -1.330) 6.266 12.731 ( 0.171 0.247 -2.108) 2.130 12.832 ( -3.589 13.034 5.995) 14.789 13.628 ( 7.419 -10.670 4.280) 13.682 13.868 ( -0.334 -1.269 -11.479) 11.554 14.109 ( 6.627 -15.129 7.916) 18.316 14.631 ( -6.910 14.036 8.620) 17.863 15.621 ( 1.927 -1.268 -1.433) 2.716 ======================= Grid point 9 (7/88) ======================= q-point: ( 0.33 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.972 ( 20.428 3.453 -0.907) 20.738 1.141 ( 20.606 10.876 1.542) 23.351 1.683 ( 0.076 7.496 -0.958) 7.557 1.870 ( -13.176 4.527 -1.535) 14.016 2.087 ( 7.082 11.405 1.270) 13.485 2.111 ( 2.205 13.255 0.636) 13.452 2.412 ( -7.117 2.286 1.784) 7.685 2.587 ( 5.522 -1.991 1.166) 5.984 2.830 ( 1.340 -2.789 1.437) 3.411 2.897 ( -1.460 0.865 1.629) 2.353 2.960 ( 2.199 -9.460 1.719) 9.863 3.104 ( -3.885 2.182 -0.389) 4.473 3.134 ( -4.174 2.167 0.827) 4.775 3.265 ( -1.410 -0.871 -1.278) 2.093 3.392 ( 0.680 -0.991 -2.507) 2.781 3.624 ( -5.512 8.110 1.226) 9.882 3.879 ( -0.325 -9.206 -6.252) 11.133 4.102 ( 3.377 -6.079 -1.801) 7.183 4.220 ( -1.047 -1.909 3.204) 3.874 4.424 ( 11.013 -2.881 2.127) 11.580 4.453 ( -5.516 1.848 1.139) 5.928 4.839 ( -4.718 -5.839 -4.037) 8.524 4.953 ( -3.450 1.968 2.150) 4.516 5.043 ( 4.073 -3.705 8.331) 9.986 5.232 ( -2.079 -2.332 -3.730) 4.865 5.338 ( -1.252 4.075 -2.325) 4.856 5.585 ( -2.924 -1.615 1.436) 3.636 5.909 ( 1.233 -1.911 -0.515) 2.332 6.084 ( -0.249 -1.474 2.431) 2.854 6.181 ( 1.187 1.617 0.501) 2.067 6.346 ( 0.815 0.430 2.779) 2.928 6.426 ( 1.597 -4.306 0.078) 4.593 6.555 ( -2.785 -3.784 0.084) 4.699 6.667 ( -1.257 -4.772 -0.977) 5.030 6.752 ( -1.910 0.682 0.258) 2.045 6.928 ( 0.222 -6.664 -4.502) 8.046 7.237 ( 3.100 7.096 1.900) 7.973 7.316 ( 3.093 1.793 2.481) 4.352 7.376 ( 4.674 2.319 -2.648) 5.851 7.720 ( -3.729 1.094 3.159) 5.008 7.860 ( 1.367 0.499 -1.868) 2.368 7.929 ( -3.415 3.404 0.160) 4.824 8.215 ( -0.370 1.478 0.587) 1.633 8.247 ( -1.196 3.363 -0.554) 3.613 8.378 ( 1.715 0.431 -1.453) 2.289 8.628 ( 2.144 -6.962 -4.950) 8.807 9.036 ( -0.543 2.333 -1.269) 2.710 9.152 ( -0.475 4.489 -1.756) 4.843 11.519 ( -0.389 0.333 -0.489) 0.708 11.628 ( -3.036 7.706 2.794) 8.741 11.665 ( 0.235 1.150 0.236) 1.197 11.813 ( 0.563 1.777 -7.634) 7.858 12.362 ( 0.585 -5.894 -0.640) 5.957 12.724 ( -0.220 -1.127 -1.441) 1.843 12.808 ( -1.109 14.245 3.960) 14.827 13.727 ( 2.076 -10.766 4.646) 11.908 13.827 ( -0.402 -1.495 -7.826) 7.977 14.234 ( 4.241 -17.807 0.574) 18.314 14.542 ( -4.372 16.130 6.585) 17.963 15.640 ( 0.588 0.998 -0.825) 1.422 ======================= Grid point 10 (8/88) ======================= q-point: (-0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 77 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.370 ( 0.000 -7.884 -0.000) 7.884 1.410 ( -0.000 5.331 -0.000) 5.331 1.520 ( 0.000 2.187 0.000) 2.187 1.599 ( 0.000 10.583 -0.000) 10.583 2.107 ( 0.000 11.673 0.000) 11.673 2.220 ( 0.000 3.986 0.000) 3.986 2.433 ( 0.000 19.486 0.000) 19.486 2.659 ( 0.000 -3.446 0.000) 3.446 2.799 ( 0.000 -0.548 0.000) 0.548 2.879 ( 0.000 1.728 -0.000) 1.728 2.978 ( 0.000 -5.467 -0.000) 5.467 2.993 ( 0.000 -5.729 0.000) 5.729 3.179 ( -0.000 5.405 -0.000) 5.405 3.246 ( 0.000 1.707 0.000) 1.707 3.386 ( 0.000 -1.245 0.000) 1.245 3.554 ( 0.000 6.860 0.000) 6.860 3.847 ( 0.000 -10.544 0.000) 10.544 4.157 ( 0.000 -7.863 -0.000) 7.863 4.232 ( 0.000 -3.143 -0.000) 3.143 4.366 ( 0.000 4.831 0.000) 4.831 4.577 ( -0.000 -7.628 -0.000) 7.628 4.752 ( 0.000 -3.822 0.000) 3.822 4.917 ( 0.000 4.981 0.000) 4.981 5.147 ( -0.000 -4.168 -0.000) 4.168 5.155 ( 0.000 -1.891 0.000) 1.891 5.327 ( 0.000 3.804 0.000) 3.804 5.549 ( 0.000 -0.924 -0.000) 0.924 5.923 ( 0.000 -2.470 0.000) 2.470 6.085 ( 0.000 -1.433 -0.000) 1.433 6.190 ( 0.000 3.070 -0.000) 3.070 6.357 ( 0.000 -1.241 0.000) 1.241 6.465 ( 0.000 -4.916 0.000) 4.916 6.510 ( -0.000 -3.120 0.000) 3.120 6.652 ( 0.000 -3.399 0.000) 3.399 6.733 ( 0.000 0.372 -0.000) 0.372 6.921 ( 0.000 -6.107 0.000) 6.107 7.265 ( 0.000 6.926 -0.000) 6.926 7.344 ( 0.000 -0.817 -0.000) 0.817 7.466 ( 0.000 7.617 -0.000) 7.617 7.658 ( 0.000 -3.634 0.000) 3.634 7.884 ( 0.000 -1.762 0.000) 1.762 7.887 ( -0.000 2.892 -0.000) 2.892 8.217 ( 0.000 3.325 -0.000) 3.325 8.227 ( 0.000 4.048 0.000) 4.048 8.392 ( 0.000 1.729 0.000) 1.729 8.637 ( 0.000 -6.797 -0.000) 6.797 9.030 ( 0.000 2.026 -0.000) 2.026 9.145 ( 0.000 4.002 0.000) 4.002 11.516 ( 0.000 0.341 0.000) 0.341 11.596 ( 0.000 8.961 -0.000) 8.961 11.673 ( 0.000 -0.558 0.000) 0.558 11.808 ( 0.000 0.968 0.000) 0.968 12.368 ( 0.000 -5.715 0.000) 5.715 12.718 ( 0.000 -1.924 0.000) 1.924 12.804 ( 0.000 14.498 -0.000) 14.498 13.759 ( 0.000 -11.148 -0.000) 11.148 13.805 ( 0.000 -0.938 0.000) 0.938 14.281 ( 0.000 -21.265 -0.000) 21.265 14.505 ( 0.000 19.652 0.000) 19.652 15.644 ( 0.000 1.679 0.000) 1.679 ======================= Grid point 14 (9/88) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( 0.000 24.872 0.000) 24.872 1.124 ( 0.000 24.029 0.000) 24.029 1.874 ( 0.000 34.891 0.000) 34.891 2.017 ( 0.000 -1.812 0.000) 1.812 2.311 ( 0.000 9.180 0.000) 9.180 2.428 ( 0.000 -1.190 0.000) 1.190 2.499 ( 0.000 0.512 0.000) 0.512 2.509 ( 0.000 0.326 0.000) 0.326 2.634 ( 0.000 -3.546 0.000) 3.546 2.794 ( 0.000 -10.290 0.000) 10.290 2.911 ( 0.000 -0.644 0.000) 0.644 2.927 ( 0.000 2.504 0.000) 2.504 3.213 ( 0.000 1.029 0.000) 1.029 3.420 ( 0.000 5.090 0.000) 5.090 3.525 ( 0.000 -12.299 0.000) 12.299 3.628 ( 0.000 -0.407 0.000) 0.407 3.858 ( 0.000 -4.133 0.000) 4.133 4.078 ( 0.000 8.122 0.000) 8.122 4.094 ( 0.000 1.667 0.000) 1.667 4.146 ( 0.000 -9.435 0.000) 9.435 4.437 ( 0.000 -6.259 0.000) 6.259 4.737 ( 0.000 -9.534 0.000) 9.534 4.920 ( 0.000 -7.417 0.000) 7.417 4.987 ( 0.000 -4.136 0.000) 4.136 5.378 ( 0.000 9.333 0.000) 9.333 5.499 ( 0.000 7.406 0.000) 7.406 5.515 ( 0.000 -4.765 0.000) 4.765 5.842 ( 0.000 -1.031 0.000) 1.031 5.875 ( 0.000 -0.636 0.000) 0.636 6.174 ( 0.000 -2.050 0.000) 2.050 6.382 ( 0.000 0.353 0.000) 0.353 6.486 ( 0.000 -0.965 0.000) 0.965 6.527 ( 0.000 -7.080 0.000) 7.080 6.607 ( 0.000 6.842 0.000) 6.842 6.761 ( 0.000 -9.926 0.000) 9.926 6.916 ( 0.000 2.082 0.000) 2.082 7.079 ( 0.000 5.685 0.000) 5.685 7.267 ( 0.000 -1.894 0.000) 1.894 7.488 ( 0.000 7.428 0.000) 7.428 7.759 ( 0.000 1.012 0.000) 1.012 7.903 ( 0.000 0.440 0.000) 0.440 8.136 ( 0.000 -4.743 0.000) 4.743 8.213 ( 0.000 -0.787 0.000) 0.787 8.217 ( 0.000 2.934 0.000) 2.934 8.296 ( 0.000 0.780 0.000) 0.780 8.510 ( 0.000 0.475 0.000) 0.475 9.142 ( 0.000 2.359 0.000) 2.359 9.250 ( 0.000 -1.106 0.000) 1.106 11.537 ( 0.000 -0.250 0.000) 0.250 11.583 ( 0.000 -1.626 0.000) 1.626 11.794 ( 0.000 2.796 0.000) 2.796 12.169 ( 0.000 -1.912 0.000) 1.912 12.244 ( 0.000 0.460 0.000) 0.460 12.688 ( 0.000 -4.727 0.000) 4.727 12.976 ( 0.000 5.358 0.000) 5.358 13.584 ( 0.000 3.217 0.000) 3.217 13.697 ( 0.000 -7.221 0.000) 7.221 13.951 ( 0.000 0.962 0.000) 0.962 14.964 ( 0.000 11.303 0.000) 11.303 15.503 ( 0.000 -5.389 0.000) 5.389 ======================= Grid point 15 (10/88) ======================= q-point: ( 0.17 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( 0.661 24.108 0.042) 24.117 1.195 ( 9.243 22.231 0.291) 24.078 1.956 ( 1.543 17.266 1.064) 17.367 2.084 ( 8.825 6.199 0.123) 10.786 2.200 ( -13.200 1.072 -0.704) 13.262 2.348 ( 0.402 9.622 1.890) 9.814 2.434 ( -0.256 -1.669 0.915) 1.920 2.658 ( 1.463 -0.293 0.721) 1.657 2.663 ( -4.006 -4.886 3.444) 7.196 2.729 ( 5.569 -0.288 -0.470) 5.596 2.927 ( 0.176 2.995 2.228) 3.737 3.006 ( 6.718 -1.965 0.631) 7.028 3.226 ( 0.109 -2.051 0.469) 2.107 3.358 ( -8.341 -0.440 -5.228) 9.854 3.449 ( -0.116 3.379 -3.161) 4.629 3.653 ( 2.971 -8.119 -6.257) 10.672 3.905 ( -1.721 2.599 2.865) 4.234 4.021 ( -4.640 -2.400 0.778) 5.282 4.136 ( 7.363 -1.108 -2.742) 7.935 4.159 ( -0.073 -5.200 5.188) 7.346 4.448 ( 0.083 -5.124 0.184) 5.128 4.713 ( -3.416 -13.981 0.006) 14.392 4.900 ( 0.625 -2.221 0.991) 2.511 5.014 ( 0.714 -3.291 2.191) 4.017 5.348 ( -2.536 8.169 -1.727) 8.726 5.454 ( -2.034 4.872 0.973) 5.368 5.549 ( 1.327 -2.439 -1.474) 3.143 5.862 ( 0.975 -1.245 -1.704) 2.324 5.962 ( 7.329 -1.711 -1.108) 7.607 6.150 ( -1.565 -1.613 1.183) 2.540 6.361 ( -2.440 -0.071 4.213) 4.869 6.467 ( -1.684 -0.136 0.880) 1.905 6.518 ( -0.904 -5.912 -0.968) 6.058 6.574 ( -2.935 3.391 1.077) 4.612 6.753 ( 0.232 -8.986 -3.576) 9.674 6.874 ( -3.247 2.358 1.480) 4.277 7.167 ( 7.247 2.790 -0.676) 7.795 7.278 ( 0.499 -1.025 2.452) 2.704 7.489 ( 0.359 8.058 -1.419) 8.189 7.776 ( 1.015 1.756 1.159) 2.336 7.864 ( -1.707 0.251 -2.937) 3.406 8.092 ( -4.411 -4.054 -1.298) 6.130 8.220 ( 0.535 0.683 1.285) 1.551 8.264 ( -1.188 -0.198 1.319) 1.786 8.313 ( 6.052 2.447 1.239) 6.644 8.536 ( 2.176 0.028 -2.256) 3.135 9.124 ( -1.168 2.707 -2.638) 3.956 9.229 ( -1.284 0.024 -1.225) 1.775 11.532 ( -0.214 0.139 -0.425) 0.496 11.598 ( 1.316 -1.609 -0.069) 2.080 11.797 ( -0.274 3.027 3.146) 4.375 12.056 ( -7.209 4.479 -8.090) 11.725 12.250 ( 0.744 -1.704 -0.393) 1.901 12.695 ( -0.530 -4.476 1.262) 4.680 13.009 ( 1.563 5.527 7.049) 9.092 13.591 ( 0.674 2.476 0.048) 2.567 13.684 ( 0.392 -11.063 -9.219) 14.407 13.954 ( -0.854 -1.094 5.535) 5.706 14.937 ( -2.305 13.838 2.757) 14.297 15.547 ( 3.442 -5.542 -1.200) 6.634 ======================= Grid point 16 (11/88) ======================= q-point: ( 0.33 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.200 ( 8.019 17.154 -0.625) 18.946 1.437 ( 13.337 16.202 0.727) 20.998 1.831 ( -12.506 8.239 -1.501) 15.051 1.980 ( -8.295 4.338 1.631) 9.502 2.238 ( 0.091 0.115 -0.551) 0.570 2.306 ( -1.027 -1.053 1.784) 2.312 2.516 ( 5.985 6.511 2.889) 9.304 2.652 ( 4.316 5.022 5.662) 8.713 2.733 ( 4.037 -1.507 -1.960) 4.734 2.803 ( 1.896 -0.328 -1.159) 2.246 2.934 ( -0.705 1.161 3.249) 3.522 3.153 ( -8.721 1.424 -3.625) 9.551 3.183 ( 8.865 2.790 2.175) 9.545 3.244 ( 2.364 0.239 1.723) 2.935 3.433 ( -0.883 4.726 -6.561) 8.134 3.634 ( -3.482 -3.929 -9.264) 10.648 3.872 ( 0.145 -0.015 -0.519) 0.539 3.934 ( -3.995 -2.449 4.386) 6.418 4.152 ( -0.314 -4.480 3.228) 5.530 4.318 ( 6.432 -7.350 1.142) 9.833 4.409 ( -3.236 -5.116 -0.609) 6.084 4.628 ( -3.146 -12.974 -1.633) 13.450 4.943 ( 1.583 -2.791 2.545) 4.095 5.042 ( 2.349 0.122 1.732) 2.921 5.270 ( -4.134 6.576 -2.311) 8.104 5.431 ( -0.670 5.734 0.790) 5.827 5.552 ( -0.530 -1.461 -1.338) 2.050 5.860 ( -0.194 -2.551 -1.826) 3.143 6.059 ( 1.150 -0.744 2.092) 2.501 6.175 ( 3.709 -2.232 -0.317) 4.341 6.327 ( -1.864 -1.476 3.038) 3.858 6.440 ( -0.827 0.839 0.270) 1.209 6.478 ( -2.477 -1.286 0.551) 2.845 6.532 ( -1.060 -4.797 -0.277) 4.920 6.752 ( 0.882 -6.816 -3.598) 7.758 6.816 ( -2.891 0.572 1.684) 3.394 7.292 ( 1.578 -0.392 0.209) 1.640 7.315 ( 3.912 -0.987 2.684) 4.846 7.513 ( 4.269 9.327 -4.808) 11.328 7.766 ( -3.988 2.568 4.083) 6.258 7.846 ( 0.785 -1.135 -2.822) 3.141 7.983 ( -4.640 1.287 0.359) 4.828 8.238 ( 0.531 -0.061 1.931) 2.003 8.253 ( 0.140 -2.777 -0.702) 2.867 8.428 ( 3.904 4.265 0.871) 5.848 8.562 ( 0.989 0.074 -2.672) 2.850 9.093 ( -0.720 3.037 -1.897) 3.653 9.204 ( -0.660 0.749 -1.230) 1.584 11.530 ( 0.128 0.881 -0.386) 0.970 11.627 ( 1.270 -1.480 -0.092) 1.952 11.804 ( -0.683 4.232 6.788) 8.028 11.902 ( -4.094 6.564 -9.662) 12.377 12.267 ( 0.905 -2.350 -0.477) 2.563 12.671 ( -1.600 -4.377 0.337) 4.673 13.062 ( 0.928 8.409 6.724) 10.807 13.607 ( 0.744 0.418 0.209) 0.879 13.659 ( 0.309 -15.479 -8.285) 17.559 13.950 ( -1.057 -4.837 4.055) 6.400 14.911 ( -1.022 16.921 2.119) 17.084 15.602 ( 2.003 -4.717 -0.824) 5.191 ======================= Grid point 17 (12/88) ======================= q-point: (-0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 77 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( 0.000 7.846 0.000) 7.846 1.608 ( -0.000 12.487 -0.000) 12.487 1.682 ( -0.000 10.550 0.000) 10.550 1.820 ( 0.000 10.047 -0.000) 10.047 2.198 ( 0.000 -3.246 0.000) 3.246 2.318 ( 0.000 0.074 -0.000) 0.074 2.614 ( 0.000 5.202 -0.000) 5.202 2.697 ( 0.000 -7.546 -0.000) 7.546 2.811 ( 0.000 -7.747 0.000) 7.747 2.817 ( -0.000 10.607 0.000) 10.607 2.978 ( -0.000 5.447 -0.000) 5.447 2.987 ( 0.000 4.135 0.000) 4.135 3.283 ( 0.000 0.063 0.000) 0.063 3.316 ( -0.000 7.285 -0.000) 7.285 3.407 ( 0.000 5.483 -0.000) 5.483 3.543 ( 0.000 -4.103 0.000) 4.103 3.838 ( 0.000 7.772 0.000) 7.772 3.935 ( -0.000 -11.309 0.000) 11.309 4.171 ( 0.000 -3.017 -0.000) 3.017 4.306 ( 0.000 -8.292 -0.000) 8.292 4.427 ( 0.000 -7.909 0.000) 7.909 4.593 ( 0.000 -11.242 0.000) 11.242 4.962 ( 0.000 -1.827 -0.000) 1.827 5.099 ( 0.000 -3.507 0.000) 3.507 5.198 ( 0.000 9.695 -0.000) 9.695 5.426 ( 0.000 6.163 0.000) 6.163 5.537 ( 0.000 -0.641 -0.000) 0.641 5.855 ( 0.000 -3.804 0.000) 3.804 6.069 ( 0.000 0.171 -0.000) 0.171 6.221 ( -0.000 -1.844 0.000) 1.844 6.312 ( 0.000 -2.110 0.000) 2.110 6.440 ( 0.000 -3.556 -0.000) 3.556 6.444 ( -0.000 3.191 0.000) 3.191 6.522 ( 0.000 -6.626 0.000) 6.626 6.766 ( 0.000 -7.518 -0.000) 7.518 6.776 ( -0.000 1.265 0.000) 1.265 7.305 ( 0.000 -1.212 0.000) 1.212 7.353 ( -0.000 0.735 -0.000) 0.735 7.640 ( 0.000 2.272 -0.000) 2.272 7.646 ( -0.000 7.699 0.000) 7.699 7.852 ( 0.000 -0.757 -0.000) 0.757 7.939 ( 0.000 2.260 -0.000) 2.260 8.247 ( 0.000 -0.960 -0.000) 0.960 8.256 ( 0.000 -2.286 0.000) 2.286 8.470 ( 0.000 5.256 0.000) 5.256 8.564 ( 0.000 0.247 -0.000) 0.247 9.084 ( 0.000 2.912 0.000) 2.912 9.195 ( 0.000 0.794 0.000) 0.794 11.532 ( 0.000 1.217 0.000) 1.217 11.641 ( 0.000 -1.338 -0.000) 1.338 11.815 ( 0.000 9.342 -0.000) 9.342 11.836 ( 0.000 1.720 0.000) 1.720 12.277 ( 0.000 -2.457 0.000) 2.457 12.652 ( 0.000 -4.648 0.000) 4.648 13.084 ( 0.000 10.336 -0.000) 10.336 13.617 ( 0.000 -1.285 -0.000) 1.285 13.647 ( 0.000 -16.273 0.000) 16.273 13.945 ( 0.000 -6.565 0.000) 6.565 14.905 ( 0.000 18.006 0.000) 18.006 15.620 ( 0.000 -4.184 0.000) 4.184 ======================= Grid point 21 (13/88) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.564 ( 0.000 18.933 0.000) 18.933 1.592 ( 0.000 21.870 0.000) 21.870 1.881 ( 0.000 -11.279 0.000) 11.279 2.000 ( 0.000 -15.759 0.000) 15.759 2.436 ( 0.000 2.163 0.000) 2.163 2.459 ( 0.000 3.694 0.000) 3.694 2.510 ( 0.000 0.385 0.000) 0.385 2.550 ( 0.000 -4.797 0.000) 4.797 2.711 ( 0.000 7.413 0.000) 7.413 2.854 ( 0.000 -5.097 0.000) 5.097 2.907 ( 0.000 25.523 0.000) 25.523 3.048 ( 0.000 8.749 0.000) 8.749 3.205 ( 0.000 -6.259 0.000) 6.259 3.302 ( 0.000 -7.324 0.000) 7.324 3.557 ( 0.000 0.548 0.000) 0.548 3.612 ( 0.000 7.971 0.000) 7.971 3.653 ( 0.000 -13.404 0.000) 13.404 3.886 ( 0.000 -14.339 0.000) 14.339 4.142 ( 0.000 6.125 0.000) 6.125 4.299 ( 0.000 -7.748 0.000) 7.748 4.301 ( 0.000 9.277 0.000) 9.277 4.489 ( 0.000 -10.219 0.000) 10.219 4.868 ( 0.000 0.021 0.000) 0.021 4.901 ( 0.000 -3.171 0.000) 3.171 5.425 ( 0.000 0.011 0.000) 0.011 5.442 ( 0.000 -2.044 0.000) 2.044 5.782 ( 0.000 12.302 0.000) 12.302 5.828 ( 0.000 -0.134 0.000) 0.134 5.862 ( 0.000 1.637 0.000) 1.637 6.063 ( 0.000 -9.023 0.000) 9.023 6.394 ( 0.000 0.729 0.000) 0.729 6.429 ( 0.000 -2.754 0.000) 2.754 6.473 ( 0.000 1.800 0.000) 1.800 6.572 ( 0.000 -7.261 0.000) 7.261 6.788 ( 0.000 8.373 0.000) 8.373 6.915 ( 0.000 -3.035 0.000) 3.035 7.166 ( 0.000 2.454 0.000) 2.454 7.208 ( 0.000 -2.510 0.000) 2.510 7.667 ( 0.000 9.012 0.000) 9.012 7.774 ( 0.000 -0.452 0.000) 0.452 7.897 ( 0.000 -0.167 0.000) 0.167 7.976 ( 0.000 -8.180 0.000) 8.180 8.248 ( 0.000 2.074 0.000) 2.074 8.272 ( 0.000 0.244 0.000) 0.244 8.350 ( 0.000 5.608 0.000) 5.608 8.467 ( 0.000 -4.447 0.000) 4.447 9.188 ( 0.000 1.930 0.000) 1.930 9.223 ( 0.000 -1.482 0.000) 1.482 11.539 ( 0.000 0.438 0.000) 0.438 11.555 ( 0.000 -1.080 0.000) 1.080 11.876 ( 0.000 5.280 0.000) 5.280 12.014 ( 0.000 -7.838 0.000) 7.838 12.387 ( 0.000 8.264 0.000) 8.264 12.555 ( 0.000 -7.605 0.000) 7.605 13.138 ( 0.000 9.815 0.000) 9.815 13.373 ( 0.000 -12.478 0.000) 12.478 13.822 ( 0.000 7.710 0.000) 7.710 13.935 ( 0.000 -2.970 0.000) 2.970 15.182 ( 0.000 9.627 0.000) 9.627 15.364 ( 0.000 -7.817 0.000) 7.817 ======================= Grid point 22 (14/88) ======================= q-point: ( 0.17 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( 0.722 19.550 -0.714) 19.577 1.642 ( 5.087 19.929 -0.507) 20.575 1.918 ( 2.642 -11.063 0.390) 11.381 2.027 ( 2.777 -14.154 -0.944) 14.455 2.269 ( -12.010 5.120 -0.440) 13.063 2.377 ( -8.414 -4.064 1.257) 9.428 2.496 ( 0.360 3.118 6.075) 6.838 2.556 ( -0.346 -3.567 5.233) 6.343 2.796 ( 4.632 7.634 1.993) 9.149 2.873 ( 2.116 5.259 0.288) 5.677 3.013 ( 3.371 4.310 -2.386) 5.969 3.047 ( 1.186 5.298 -0.495) 5.452 3.205 ( 4.488 3.825 -0.827) 5.955 3.335 ( -0.124 0.656 -5.254) 5.296 3.489 ( -0.335 -5.420 -2.356) 5.919 3.541 ( -1.037 -0.734 -4.088) 4.281 3.808 ( 5.243 -4.821 0.839) 7.172 3.928 ( 4.713 -9.802 -1.460) 10.974 4.091 ( -4.043 4.172 3.246) 6.655 4.184 ( -5.734 0.056 0.536) 5.759 4.366 ( 0.891 -1.588 -0.086) 1.823 4.446 ( -3.771 -8.882 -0.984) 9.699 4.888 ( 1.673 0.940 1.293) 2.314 4.935 ( 2.518 -3.386 1.538) 4.491 5.412 ( -0.851 1.586 0.122) 1.804 5.459 ( 0.902 -2.790 1.315) 3.213 5.712 ( -3.433 10.939 -3.955) 12.128 5.833 ( -0.198 -2.035 -3.056) 3.677 5.953 ( 6.214 1.849 -0.120) 6.484 6.065 ( 0.635 -6.530 0.787) 6.608 6.366 ( -2.958 0.732 2.813) 4.147 6.405 ( -2.296 -3.171 1.685) 4.262 6.467 ( -0.308 1.484 -1.160) 1.908 6.558 ( -1.141 -6.555 -1.334) 6.786 6.746 ( -3.585 7.484 2.466) 8.657 6.869 ( -4.194 -3.367 2.611) 5.979 7.212 ( 3.959 1.519 -0.255) 4.248 7.242 ( 2.678 -1.667 -0.571) 3.206 7.673 ( 1.064 8.876 -2.820) 9.374 7.797 ( 1.993 -1.563 -2.149) 3.322 7.872 ( -2.143 1.642 -0.248) 2.711 7.965 ( -0.278 -6.769 -0.685) 6.809 8.223 ( -1.469 0.952 2.730) 3.243 8.253 ( -2.920 -1.389 2.377) 4.013 8.414 ( 5.383 5.546 0.313) 7.735 8.507 ( 3.260 -3.091 -0.891) 4.580 9.176 ( -0.717 2.181 -1.896) 2.978 9.213 ( -0.614 -1.367 -1.233) 1.940 11.543 ( 0.538 0.883 -0.358) 1.094 11.567 ( 1.146 -1.365 -0.248) 1.799 11.877 ( -0.128 4.875 0.922) 4.963 11.997 ( -1.485 -6.212 -1.316) 6.521 12.363 ( -1.754 8.987 -0.583) 9.175 12.551 ( -0.856 -8.606 1.514) 8.780 13.148 ( 0.722 8.573 2.412) 8.935 13.368 ( -0.301 -12.430 -0.968) 12.471 13.787 ( -2.553 8.072 -1.909) 8.679 13.914 ( -2.006 -3.772 0.584) 4.312 15.195 ( 1.026 11.039 1.016) 11.133 15.399 ( 2.862 -8.545 -0.217) 9.014 ======================= Grid point 23 (15/88) ======================= q-point: ( 0.33 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.602 ( 2.556 19.585 -1.251) 19.791 1.769 ( 6.940 13.848 -0.708) 15.505 1.960 ( 0.968 -7.116 1.040) 7.256 2.029 ( -9.936 9.240 -1.814) 13.689 2.084 ( 2.194 -12.717 -1.144) 12.956 2.198 ( -8.575 -5.944 1.416) 10.529 2.551 ( 1.605 -1.609 6.606) 6.986 2.581 ( 1.243 -2.752 7.182) 7.791 2.863 ( 0.918 7.710 -0.083) 7.765 2.931 ( -1.491 0.259 3.870) 4.155 2.960 ( 2.933 5.093 -1.861) 6.165 3.110 ( 2.265 -7.348 -2.494) 8.084 3.231 ( -4.055 8.428 -3.499) 9.985 3.383 ( 4.840 3.142 -4.624) 7.395 3.495 ( 3.022 1.577 -1.443) 3.702 3.585 ( 4.295 -1.673 -3.190) 5.606 3.828 ( 0.688 6.707 -5.849) 8.925 4.014 ( 0.839 -0.406 4.876) 4.965 4.081 ( -2.487 -0.852 5.682) 6.261 4.107 ( 3.118 -10.690 -1.040) 11.183 4.313 ( -5.909 -2.879 -1.545) 6.752 4.365 ( -2.840 -9.544 -0.864) 9.995 4.930 ( 1.689 1.587 1.151) 2.587 4.992 ( 2.140 -3.589 0.985) 4.293 5.396 ( -0.780 4.819 0.420) 4.900 5.482 ( 0.651 -3.155 2.598) 4.139 5.636 ( -2.456 9.867 -4.419) 11.087 5.793 ( -2.072 -4.706 -3.054) 5.980 6.059 ( 3.387 1.020 0.506) 3.573 6.110 ( 3.247 -3.464 -0.032) 4.748 6.312 ( -2.715 0.449 2.391) 3.646 6.362 ( -2.133 -4.353 1.472) 5.066 6.457 ( -0.153 1.026 -0.990) 1.434 6.520 ( -2.009 -3.362 -0.400) 3.937 6.695 ( -1.580 3.936 0.932) 4.343 6.792 ( -3.678 -3.512 2.417) 5.631 7.288 ( 2.008 0.142 -0.597) 2.100 7.296 ( 3.171 -0.659 0.829) 3.344 7.688 ( 1.625 6.643 -4.364) 8.112 7.782 ( -2.459 -2.433 -2.800) 4.450 7.868 ( 1.496 4.548 1.723) 5.089 7.967 ( 0.300 -3.320 -0.209) 3.340 8.197 ( -1.708 -1.097 1.177) 2.346 8.214 ( -1.533 -1.855 3.052) 3.887 8.519 ( 4.038 3.768 0.739) 5.572 8.566 ( 2.407 -0.701 -0.882) 2.657 9.153 ( -0.656 2.573 -1.752) 3.181 9.195 ( -0.558 -1.370 -1.341) 1.997 11.557 ( 0.801 1.627 -0.362) 1.849 11.593 ( 1.268 -1.746 -0.278) 2.176 11.878 ( -0.153 3.703 1.547) 4.016 11.951 ( -2.081 -2.291 -1.918) 3.641 12.331 ( -0.936 8.296 -0.242) 8.352 12.528 ( -1.556 -9.086 1.078) 9.281 13.183 ( 1.397 5.538 3.764) 6.840 13.353 ( -0.585 -11.449 -1.960) 11.630 13.730 ( -2.005 8.028 -1.665) 8.441 13.871 ( -1.965 -4.912 0.189) 5.293 15.223 ( 1.100 13.011 0.835) 13.084 15.454 ( 2.187 -9.234 -0.125) 9.491 ======================= Grid point 24 (16/88) ======================= q-point: (-0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 77 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.642 ( 0.000 18.109 0.000) 18.109 1.864 ( -0.000 8.978 0.000) 8.978 1.910 ( -0.000 10.168 0.000) 10.168 1.960 ( -0.000 1.077 -0.000) 1.077 2.093 ( 0.000 -7.148 0.000) 7.148 2.104 ( 0.000 -13.051 -0.000) 13.051 2.569 ( 0.000 -2.619 -0.000) 2.619 2.634 ( -0.000 -7.512 -0.000) 7.512 2.835 ( 0.000 9.854 0.000) 9.854 2.943 ( 0.000 1.213 0.000) 1.213 3.025 ( -0.000 1.758 -0.000) 1.758 3.092 ( 0.000 2.412 0.000) 2.412 3.213 ( 0.000 -1.052 0.000) 1.052 3.349 ( 0.000 -6.234 -0.000) 6.234 3.590 ( 0.000 5.538 -0.000) 5.538 3.607 ( 0.000 6.330 0.000) 6.330 3.851 ( -0.000 8.656 0.000) 8.656 4.007 ( 0.000 7.449 -0.000) 7.449 4.107 ( 0.000 -3.106 0.000) 3.106 4.125 ( 0.000 -10.787 0.000) 10.787 4.227 ( 0.000 -6.635 0.000) 6.635 4.327 ( 0.000 -12.463 -0.000) 12.463 4.952 ( 0.000 1.547 0.000) 1.547 5.016 ( 0.000 -4.092 0.000) 4.092 5.388 ( 0.000 7.081 -0.000) 7.081 5.497 ( 0.000 -3.557 0.000) 3.557 5.597 ( 0.000 9.473 -0.000) 9.473 5.761 ( 0.000 -5.786 0.000) 5.786 6.093 ( 0.000 2.073 -0.000) 2.073 6.152 ( 0.000 -3.494 0.000) 3.494 6.287 ( 0.000 0.068 0.000) 0.068 6.340 ( 0.000 -5.024 -0.000) 5.024 6.456 ( 0.000 0.485 0.000) 0.485 6.494 ( 0.000 -1.071 -0.000) 1.071 6.684 ( 0.000 1.421 -0.000) 1.421 6.754 ( 0.000 -3.117 0.000) 3.117 7.306 ( 0.000 0.956 0.000) 0.956 7.334 ( 0.000 -1.522 -0.000) 1.522 7.706 ( 0.000 2.928 -0.000) 2.928 7.737 ( -0.000 0.573 0.000) 0.573 7.892 ( -0.000 4.817 0.000) 4.817 7.968 ( 0.000 -0.639 -0.000) 0.639 8.184 ( 0.000 -2.403 -0.000) 2.403 8.200 ( 0.000 -2.774 0.000) 2.774 8.565 ( 0.000 3.124 0.000) 3.124 8.589 ( 0.000 0.675 -0.000) 0.675 9.143 ( 0.000 2.606 0.000) 2.606 9.187 ( 0.000 -1.415 0.000) 1.415 11.566 ( 0.000 1.966 0.000) 1.966 11.607 ( 0.000 -1.868 -0.000) 1.868 11.881 ( 0.000 2.563 0.000) 2.563 11.920 ( 0.000 0.143 -0.000) 0.143 12.322 ( 0.000 7.360 0.000) 7.360 12.511 ( 0.000 -8.875 0.000) 8.875 13.210 ( 0.000 3.787 -0.000) 3.787 13.340 ( 0.000 -10.372 0.000) 10.372 13.706 ( 0.000 7.609 -0.000) 7.609 13.849 ( 0.000 -5.329 0.000) 5.329 15.236 ( 0.000 13.740 0.000) 13.740 15.477 ( 0.000 -9.367 0.000) 9.367 ======================= Grid point 49 (17/88) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.490 ( -12.907 0.000 22.540) 25.974 0.562 ( -4.748 0.000 25.726) 26.160 0.989 ( -5.243 0.000 44.693) 45.000 1.905 ( -0.698 0.000 -0.751) 1.025 1.941 ( 3.433 0.000 -1.546) 3.766 2.464 ( -0.684 0.000 -0.979) 1.195 2.495 ( -0.925 0.000 1.528) 1.786 2.572 ( 3.982 0.000 4.530) 6.031 2.865 ( 6.456 0.000 -1.027) 6.537 2.920 ( 6.208 0.000 -3.218) 6.993 2.927 ( -0.972 0.000 -3.380) 3.517 3.112 ( -9.643 0.000 1.154) 9.712 3.300 ( 4.235 0.000 1.358) 4.447 3.414 ( -0.999 0.000 4.128) 4.248 3.515 ( 0.151 0.000 -4.895) 4.897 3.675 ( -1.138 0.000 -2.250) 2.522 3.784 ( 1.498 0.000 -0.272) 1.523 3.817 ( -6.093 0.000 -4.104) 7.346 4.277 ( -1.227 0.000 -1.267) 1.764 4.428 ( 1.638 0.000 0.761) 1.806 4.572 ( -0.035 0.000 -7.566) 7.566 4.706 ( 2.770 0.000 -3.441) 4.418 5.252 ( -4.258 0.000 -0.430) 4.280 5.331 ( 14.101 0.000 -0.093) 14.101 5.349 ( -2.097 0.000 0.306) 2.119 5.429 ( 32.592 0.000 3.869) 32.821 5.682 ( 1.577 0.000 0.103) 1.581 5.917 ( -1.355 0.000 4.145) 4.360 5.975 ( -12.120 0.000 6.612) 13.806 6.122 ( -0.262 0.000 -3.031) 3.043 6.233 ( 4.589 0.000 2.495) 5.223 6.447 ( -16.055 0.000 1.941) 16.172 6.530 ( 3.552 0.000 -4.066) 5.399 6.630 ( -1.763 0.000 1.392) 2.246 6.882 ( -3.463 0.000 3.501) 4.925 6.947 ( 5.239 0.000 -0.684) 5.284 6.973 ( -1.990 0.000 -2.487) 3.185 7.072 ( 1.527 0.000 2.737) 3.134 7.076 ( 0.222 0.000 -3.536) 3.543 7.722 ( 0.704 0.000 -1.295) 1.474 7.887 ( -1.396 0.000 1.252) 1.875 8.148 ( 6.070 0.000 -4.764) 7.716 8.223 ( 0.162 0.000 -3.527) 3.531 8.234 ( -4.875 0.000 -2.745) 5.594 8.412 ( 4.227 0.000 3.950) 5.785 8.633 ( -31.370 0.000 3.083) 31.521 8.953 ( 2.469 0.000 -0.873) 2.619 9.048 ( -2.810 0.000 -2.355) 3.666 11.542 ( -1.051 0.000 1.085) 1.511 11.582 ( 0.300 0.000 2.321) 2.340 11.650 ( -0.210 0.000 0.642) 0.676 12.263 ( -17.816 0.000 -10.661) 20.762 12.518 ( 2.328 0.000 -3.809) 4.464 12.686 ( -35.482 0.000 6.078) 35.998 12.827 ( -1.908 0.000 7.046) 7.300 13.400 ( 31.472 0.000 -9.575) 32.896 13.919 ( -0.320 0.000 1.259) 1.299 14.200 ( 16.929 0.000 -2.357) 17.092 14.342 ( 3.655 0.000 13.633) 14.114 15.572 ( 0.298 0.000 -3.815) 3.826 ======================= Grid point 50 (18/88) ======================= q-point: ( 0.17 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.576 ( 14.845 0.000 10.312) 18.075 0.766 ( 14.494 0.000 17.426) 22.666 1.282 ( 16.276 0.000 35.523) 39.074 1.880 ( -1.380 0.000 -3.981) 4.213 2.008 ( 1.827 0.000 0.489) 1.891 2.313 ( -12.000 0.000 9.338) 15.205 2.496 ( 4.926 0.000 -1.523) 5.156 2.743 ( -16.272 0.000 1.747) 16.366 2.778 ( 8.702 0.000 2.265) 8.992 2.870 ( -2.342 0.000 -4.274) 4.874 3.029 ( 5.080 0.000 1.492) 5.294 3.066 ( 3.479 0.000 -0.687) 3.546 3.298 ( -3.548 0.000 -0.893) 3.659 3.370 ( -13.645 0.000 -1.946) 13.783 3.515 ( 4.188 0.000 8.409) 9.394 3.552 ( -0.112 0.000 -5.438) 5.439 3.720 ( 1.485 0.000 -11.834) 11.927 3.974 ( 5.294 0.000 -1.306) 5.453 4.288 ( 4.348 0.000 1.600) 4.633 4.390 ( -3.988 0.000 -0.536) 4.024 4.501 ( -2.959 0.000 -5.463) 6.213 4.777 ( 3.781 0.000 -4.152) 5.615 5.128 ( -7.416 0.000 0.491) 7.432 5.241 ( -5.264 0.000 1.120) 5.382 5.271 ( -4.320 0.000 -2.155) 4.828 5.572 ( -11.703 0.000 15.294) 19.257 5.695 ( -0.861 0.000 1.323) 1.579 5.945 ( 1.105 0.000 4.343) 4.482 6.128 ( 1.381 0.000 -0.113) 1.385 6.252 ( -3.165 0.000 3.298) 4.571 6.335 ( 3.727 0.000 3.502) 5.114 6.468 ( 28.919 0.000 -23.355) 37.172 6.556 ( -0.771 0.000 -4.433) 4.500 6.604 ( -0.508 0.000 2.588) 2.638 6.778 ( -4.150 0.000 1.557) 4.432 6.846 ( -6.213 0.000 -3.578) 7.170 7.073 ( 3.005 0.000 3.623) 4.706 7.163 ( 6.794 0.000 -4.236) 8.006 7.293 ( 18.322 0.000 -4.197) 18.797 7.744 ( 1.633 0.000 -1.200) 2.027 7.857 ( -22.054 0.000 16.929) 27.803 7.866 ( -0.650 0.000 0.241) 0.693 8.196 ( -1.430 0.000 -3.827) 4.086 8.211 ( 2.257 0.000 -5.007) 5.492 8.283 ( -4.941 0.000 -1.238) 5.094 8.584 ( 6.149 0.000 2.031) 6.476 8.969 ( -1.904 0.000 -4.469) 4.857 9.026 ( 2.860 0.000 0.519) 2.907 11.520 ( -1.294 0.000 1.511) 1.989 11.581 ( -1.081 0.000 2.047) 2.315 11.659 ( 0.776 0.000 0.629) 0.999 11.887 ( -8.950 0.000 8.510) 12.350 12.470 ( -2.051 0.000 0.500) 2.111 12.541 ( 0.758 0.000 -2.625) 2.732 12.820 ( -0.981 0.000 6.248) 6.325 13.685 ( 6.727 0.000 -8.305) 10.688 13.935 ( 1.404 0.000 1.197) 1.845 14.253 ( -1.776 0.000 1.704) 2.461 14.582 ( 5.564 0.000 -2.940) 6.292 15.565 ( 0.407 0.000 -4.027) 4.048 ======================= Grid point 51 (19/88) ======================= q-point: ( 0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( 20.848 0.000 2.750) 21.029 1.167 ( 18.632 0.000 9.634) 20.975 1.716 ( 2.742 0.000 12.185) 12.490 1.805 ( 4.450 0.000 3.890) 5.911 1.976 ( -6.416 0.000 2.452) 6.869 2.170 ( -3.920 0.000 15.503) 15.991 2.418 ( -13.417 0.000 0.031) 13.417 2.622 ( 6.006 0.000 -1.898) 6.298 2.774 ( -2.351 0.000 -5.818) 6.275 2.950 ( 2.315 0.000 4.155) 4.756 3.084 ( -1.818 0.000 -2.617) 3.186 3.093 ( -0.168 0.000 -2.057) 2.064 3.101 ( -9.206 0.000 -1.098) 9.272 3.258 ( 1.375 0.000 4.888) 5.077 3.514 ( -3.409 0.000 -1.415) 3.691 3.517 ( -3.533 0.000 7.101) 7.932 3.851 ( 12.093 0.000 -11.565) 16.733 3.967 ( -1.293 0.000 -4.430) 4.615 4.279 ( -4.640 0.000 -0.970) 4.740 4.428 ( -3.265 0.000 -2.607) 4.178 4.489 ( 10.959 0.000 -0.481) 10.969 4.813 ( 1.353 0.000 -4.736) 4.925 4.969 ( -8.432 0.000 2.944) 8.931 5.169 ( -2.705 0.000 -2.052) 3.396 5.199 ( -0.887 0.000 -4.148) 4.242 5.439 ( -6.414 0.000 14.055) 15.450 5.660 ( -2.925 0.000 2.727) 3.999 5.985 ( 0.891 0.000 4.571) 4.657 6.154 ( 0.008 0.000 2.404) 2.404 6.206 ( -1.841 0.000 3.206) 3.697 6.388 ( 0.157 0.000 2.435) 2.440 6.516 ( -0.851 0.000 -4.212) 4.297 6.584 ( -2.327 0.000 1.172) 2.606 6.696 ( -1.165 0.000 1.562) 1.948 6.748 ( -1.481 0.000 -3.419) 3.726 6.803 ( 9.658 0.000 -12.070) 15.459 7.166 ( 4.739 0.000 3.430) 5.850 7.291 ( 6.661 0.000 -4.256) 7.905 7.460 ( -7.238 0.000 11.940) 13.963 7.723 ( 7.697 0.000 -5.467) 9.441 7.766 ( 0.239 0.000 0.533) 0.584 7.867 ( 0.853 0.000 -1.429) 1.664 8.150 ( -1.361 0.000 -3.722) 3.963 8.175 ( -4.687 0.000 -4.015) 6.172 8.230 ( 1.562 0.000 -5.775) 5.982 8.703 ( 4.882 0.000 2.809) 5.633 8.921 ( -0.402 0.000 -6.778) 6.790 9.091 ( 2.477 0.000 2.220) 3.326 11.507 ( -0.517 0.000 2.044) 2.109 11.557 ( -1.727 0.000 2.126) 2.739 11.679 ( 0.839 0.000 0.625) 1.046 11.851 ( 0.554 0.000 6.583) 6.607 12.453 ( 0.283 0.000 -2.719) 2.734 12.530 ( -0.668 0.000 -3.242) 3.310 12.828 ( -0.455 0.000 6.436) 6.452 13.752 ( 2.710 0.000 -2.677) 3.809 13.972 ( 1.514 0.000 1.049) 1.842 14.218 ( -1.444 0.000 -2.494) 2.882 14.590 ( -2.671 0.000 1.930) 3.295 15.563 ( 0.725 0.000 -3.870) 3.938 ======================= Grid point 52 (20/88) ======================= q-point: (-0.50 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( 2.557 0.000 -2.951) 3.905 1.478 ( 0.806 0.000 6.601) 6.650 1.525 ( -0.652 0.000 8.968) 8.992 1.803 ( -3.239 0.000 5.605) 6.474 1.965 ( 0.137 0.000 2.642) 2.646 2.230 ( -5.127 0.000 21.416) 22.021 2.265 ( -1.671 0.000 -3.703) 4.062 2.644 ( -2.799 0.000 -5.961) 6.585 2.763 ( 4.890 0.000 -2.568) 5.523 2.859 ( -2.994 0.000 0.719) 3.079 3.028 ( -0.475 0.000 -3.587) 3.619 3.064 ( -1.669 0.000 -2.881) 3.330 3.068 ( -1.819 0.000 0.871) 2.017 3.326 ( 1.327 0.000 7.209) 7.330 3.437 ( -1.644 0.000 0.511) 1.721 3.491 ( -0.871 0.000 6.577) 6.634 3.975 ( 3.765 0.000 -5.117) 6.353 4.065 ( 12.111 0.000 -9.513) 15.400 4.208 ( -1.370 0.000 -1.637) 2.134 4.327 ( -6.329 0.000 -0.893) 6.392 4.609 ( -2.254 0.000 -5.988) 6.398 4.817 ( 0.993 0.000 -4.480) 4.589 4.876 ( 0.493 0.000 7.215) 7.232 5.096 ( -3.030 0.000 -1.397) 3.336 5.210 ( 2.813 0.000 -4.607) 5.398 5.401 ( -2.020 0.000 10.391) 10.586 5.615 ( -2.039 0.000 3.709) 4.233 5.999 ( -1.163 0.000 4.141) 4.301 6.135 ( -2.361 0.000 2.458) 3.409 6.196 ( -0.569 0.000 3.440) 3.486 6.356 ( -3.210 0.000 -1.483) 3.536 6.484 ( -0.877 0.000 -4.715) 4.796 6.566 ( 0.932 0.000 0.551) 1.082 6.674 ( -1.008 0.000 2.610) 2.798 6.757 ( 2.570 0.000 -1.405) 2.929 6.926 ( 5.528 0.000 -4.876) 7.371 7.220 ( -3.659 0.000 4.656) 5.922 7.364 ( -1.793 0.000 6.242) 6.494 7.374 ( 2.046 0.000 -3.869) 4.377 7.754 ( -1.475 0.000 1.892) 2.399 7.810 ( -0.253 0.000 -2.219) 2.233 7.882 ( 1.112 0.000 -2.148) 2.419 8.119 ( 2.670 0.000 -8.002) 8.436 8.135 ( 1.292 0.000 -3.139) 3.394 8.244 ( 1.837 0.000 -5.577) 5.871 8.811 ( 4.623 0.000 4.565) 6.497 8.908 ( 1.174 0.000 -6.790) 6.890 9.132 ( 0.673 0.000 2.575) 2.662 11.513 ( 0.281 0.000 2.421) 2.437 11.534 ( -0.989 0.000 2.118) 2.338 11.691 ( 0.023 0.000 0.593) 0.594 11.920 ( 3.574 0.000 8.674) 9.382 12.453 ( 0.688 0.000 -3.901) 3.961 12.502 ( -0.554 0.000 -4.737) 4.769 12.841 ( -0.697 0.000 7.208) 7.241 13.794 ( 1.798 0.000 1.039) 2.076 13.992 ( -0.102 0.000 0.935) 0.941 14.176 ( -0.912 0.000 -9.305) 9.350 14.520 ( -4.954 0.000 4.511) 6.700 15.567 ( 0.944 0.000 -3.496) 3.621 ======================= Grid point 53 (21/88) ======================= q-point: (-0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( -19.310 0.000 9.587) 21.559 1.187 ( -22.474 0.000 10.806) 24.937 1.721 ( -9.388 0.000 7.721) 12.155 1.936 ( 3.917 0.000 0.416) 3.939 1.944 ( 6.907 0.000 5.529) 8.847 2.037 ( -10.895 0.000 14.159) 17.865 2.308 ( 8.682 0.000 -5.210) 10.126 2.562 ( -1.257 0.000 -3.159) 3.399 2.849 ( 4.025 0.000 -4.419) 5.977 2.868 ( -5.742 0.000 1.186) 5.863 2.982 ( -3.865 0.000 -5.904) 7.056 3.048 ( 1.985 0.000 -0.609) 2.076 3.108 ( 12.146 0.000 0.743) 12.168 3.360 ( 0.325 0.000 4.381) 4.393 3.467 ( 2.810 0.000 0.616) 2.877 3.499 ( -1.724 0.000 6.555) 6.778 4.059 ( 5.127 0.000 -4.535) 6.844 4.149 ( -7.491 0.000 -3.310) 8.190 4.221 ( 2.685 0.000 0.284) 2.700 4.294 ( 10.125 0.000 -4.392) 11.036 4.422 ( -11.235 0.000 -1.776) 11.374 4.811 ( -0.619 0.000 -5.374) 5.409 4.879 ( -3.489 0.000 -2.922) 4.551 5.140 ( 6.427 0.000 6.288) 8.991 5.265 ( 3.631 0.000 -1.789) 4.048 5.400 ( -1.454 0.000 6.529) 6.689 5.615 ( 0.879 0.000 2.556) 2.703 5.973 ( -2.430 0.000 3.808) 4.517 6.100 ( -1.004 0.000 1.005) 1.421 6.192 ( -1.370 0.000 4.167) 4.387 6.270 ( -3.624 0.000 -4.508) 5.784 6.464 ( 0.407 0.000 -3.273) 3.298 6.605 ( 2.333 0.000 -0.622) 2.415 6.681 ( 1.019 0.000 1.816) 2.082 6.823 ( 4.065 0.000 -0.631) 4.114 6.999 ( 2.231 0.000 -1.003) 2.446 7.096 ( -7.520 0.000 -0.331) 7.527 7.316 ( -7.703 0.000 4.703) 9.025 7.333 ( -4.571 0.000 -2.955) 5.443 7.735 ( -0.749 0.000 0.896) 1.168 7.814 ( 4.484 0.000 -1.484) 4.723 7.896 ( 0.775 0.000 -0.928) 1.209 8.171 ( 2.748 0.000 -2.669) 3.831 8.184 ( 4.341 0.000 -4.669) 6.375 8.271 ( 2.683 0.000 -5.068) 5.734 8.913 ( 1.218 0.000 -5.391) 5.527 8.923 ( 4.671 0.000 4.687) 6.617 9.136 ( -1.054 0.000 2.002) 2.263 11.528 ( 0.341 0.000 3.172) 3.190 11.539 ( 0.634 0.000 1.205) 1.362 11.683 ( -0.963 0.000 0.640) 1.156 12.076 ( 8.882 0.000 14.862) 17.314 12.451 ( 0.453 0.000 -3.940) 3.966 12.482 ( 0.515 0.000 -5.694) 5.717 12.847 ( -1.243 0.000 7.793) 7.891 13.837 ( 1.858 0.000 2.776) 3.341 13.975 ( -1.749 0.000 0.981) 2.006 14.087 ( -4.215 0.000 -20.799) 21.221 14.428 ( -5.867 0.000 7.886) 9.829 15.574 ( 0.825 0.000 -3.286) 3.388 ======================= Grid point 54 (22/88) ======================= q-point: (-0.17 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.728 ( -16.782 0.000 19.873) 26.011 0.779 ( -20.895 0.000 18.250) 27.742 1.269 ( -29.762 0.000 29.301) 41.766 1.924 ( -0.940 0.000 -3.674) 3.793 1.938 ( -3.279 0.000 2.274) 3.990 2.248 ( 15.135 0.000 2.945) 15.419 2.469 ( 3.035 0.000 -2.675) 4.046 2.644 ( 11.021 0.000 0.885) 11.057 2.700 ( -8.773 0.000 0.078) 8.774 2.894 ( -1.206 0.000 -7.103) 7.204 2.917 ( 2.972 0.000 -3.125) 4.312 3.115 ( 4.608 0.000 -0.268) 4.616 3.346 ( -4.216 0.000 2.738) 5.027 3.411 ( 15.246 0.000 2.141) 15.395 3.452 ( -3.907 0.000 5.468) 6.720 3.512 ( 1.636 0.000 -2.914) 3.342 3.972 ( -8.124 0.000 -1.835) 8.329 4.027 ( -10.476 0.000 -4.888) 11.560 4.273 ( 2.557 0.000 -0.416) 2.591 4.320 ( 3.622 0.000 5.382) 6.487 4.483 ( 9.047 0.000 -5.222) 10.446 4.748 ( -3.084 0.000 -6.034) 6.777 4.826 ( 2.569 0.000 4.909) 5.540 5.277 ( 3.111 0.000 2.656) 4.091 5.336 ( 2.772 0.000 1.040) 2.961 5.386 ( -1.209 0.000 5.187) 5.326 5.648 ( 1.561 0.000 0.306) 1.591 5.937 ( -2.171 0.000 3.814) 4.389 6.115 ( 2.007 0.000 0.274) 2.025 6.152 ( -4.640 0.000 3.683) 5.924 6.195 ( -1.626 0.000 -4.190) 4.494 6.480 ( 2.254 0.000 -3.101) 3.833 6.639 ( 0.831 0.000 -0.398) 0.921 6.720 ( 0.290 0.000 -0.774) 0.827 6.878 ( -10.089 0.000 -3.546) 10.694 6.913 ( 4.858 0.000 -1.314) 5.033 7.036 ( -0.445 0.000 -1.532) 1.596 7.121 ( -10.296 0.000 3.828) 10.985 7.197 ( -7.148 0.000 -2.681) 7.634 7.724 ( -0.420 0.000 -0.450) 0.615 7.902 ( -0.314 0.000 0.767) 0.829 7.976 ( 10.227 0.000 -0.773) 10.256 8.212 ( 1.927 0.000 -2.925) 3.503 8.241 ( 2.367 0.000 -2.511) 3.451 8.319 ( 3.209 0.000 -1.201) 3.427 8.922 ( 1.349 0.000 -3.275) 3.542 8.994 ( -1.149 0.000 -2.166) 2.452 9.105 ( -2.283 0.000 0.264) 2.299 11.549 ( 0.107 0.000 1.756) 1.760 11.557 ( 0.966 0.000 2.103) 2.315 11.662 ( -1.105 0.000 0.671) 1.293 12.374 ( 5.847 0.000 -2.781) 6.474 12.488 ( 1.910 0.000 -5.348) 5.679 12.549 ( 22.342 0.000 20.104) 30.056 12.842 ( -1.879 0.000 7.780) 8.003 13.689 ( -26.304 0.000 -33.721) 42.767 13.938 ( -1.856 0.000 1.156) 2.186 13.944 ( 4.065 0.000 3.124) 5.127 14.353 ( -4.556 0.000 11.664) 12.522 15.577 ( 0.498 0.000 -3.448) 3.484 ======================= Grid point 55 (23/88) ======================= q-point: ( 0.00 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.654 ( 1.582 15.634 14.783) 21.574 0.761 ( -6.954 20.272 14.722) 26.001 1.448 ( -6.003 32.914 31.424) 45.901 1.979 ( 3.601 2.952 -1.661) 4.944 2.039 ( -0.678 11.757 -1.081) 11.826 2.453 ( -1.425 -0.798 0.310) 1.663 2.487 ( -7.046 -1.101 0.043) 7.131 2.550 ( 10.220 -1.298 2.828) 10.683 2.807 ( 3.814 -8.054 -1.826) 9.096 2.882 ( 9.192 -0.511 -0.261) 9.210 2.898 ( 0.954 -2.344 -3.373) 4.216 3.023 ( -10.441 -6.798 0.450) 12.467 3.262 ( 3.871 -3.671 1.359) 5.505 3.378 ( -4.633 -0.816 2.963) 5.560 3.569 ( -5.096 1.645 -4.985) 7.316 3.678 ( 4.338 -5.120 -4.714) 8.201 3.753 ( -2.740 4.910 -5.982) 8.210 3.919 ( -0.267 5.409 3.317) 6.350 4.197 ( 0.176 -5.117 0.601) 5.155 4.343 ( 1.529 -5.174 3.513) 6.438 4.535 ( 0.480 -3.868 -5.328) 6.601 4.862 ( 0.490 9.115 -5.659) 10.740 5.014 ( 12.897 -11.843 11.810) 21.120 5.201 ( -4.158 -3.981 3.934) 6.972 5.272 ( 0.427 -6.815 4.035) 7.931 5.403 ( -2.590 1.776 -2.113) 3.785 5.635 ( 2.330 -4.406 0.780) 5.045 5.906 ( -0.196 -0.624 3.901) 3.955 5.940 ( -5.564 -1.565 4.766) 7.491 6.150 ( 0.953 1.555 -2.170) 2.835 6.348 ( 7.318 4.582 -1.023) 8.694 6.433 ( 0.050 0.858 0.882) 1.232 6.571 ( -1.268 -0.716 -1.291) 1.946 6.728 ( -0.456 -8.728 -1.611) 8.887 6.820 ( -3.371 1.881 -3.086) 4.942 6.938 ( -3.029 1.011 4.459) 5.485 6.991 ( 0.006 0.758 -1.604) 1.774 7.143 ( 3.292 7.178 -4.911) 9.299 7.293 ( 2.781 13.360 -2.626) 13.896 7.719 ( 0.784 -0.095 -1.650) 1.830 7.889 ( -2.397 0.515 0.479) 2.498 8.137 ( 3.914 -0.715 -4.403) 5.934 8.204 ( 0.089 -1.678 -2.761) 3.232 8.252 ( -0.270 -1.291 -0.926) 1.611 8.378 ( -0.118 -3.815 5.347) 6.570 8.479 ( -10.931 -1.369 4.060) 11.740 9.058 ( -3.372 2.004 -3.532) 5.278 9.136 ( -1.124 5.738 -6.703) 8.895 11.546 ( -0.635 -0.163 0.027) 0.656 11.625 ( 1.514 2.006 -0.958) 2.689 11.633 ( -0.108 -0.078 -0.325) 0.351 12.196 ( -12.243 -4.702 -7.127) 14.926 12.361 ( -5.124 -5.792 8.192) 11.265 12.662 ( -0.553 2.375 -3.471) 4.242 13.001 ( 2.842 1.337 4.811) 5.745 13.427 ( 7.409 4.457 -11.095) 14.066 13.722 ( -0.199 -6.741 6.258) 9.200 14.209 ( 0.423 -2.568 7.184) 7.641 14.642 ( 7.360 16.926 -1.623) 18.528 15.553 ( -0.875 -2.209 -3.465) 4.202 ======================= Grid point 56 (24/88) ======================= q-point: ( 0.17 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.767 ( 4.834 16.299 11.165) 20.339 0.878 ( 14.007 12.725 11.499) 22.143 1.639 ( 11.602 27.497 26.327) 39.797 1.986 ( -2.976 6.147 -3.146) 7.519 2.075 ( 3.402 8.534 -1.171) 9.262 2.296 ( -10.302 -0.928 9.064) 13.753 2.474 ( 3.668 -1.949 -1.519) 4.423 2.704 ( -13.045 -2.985 -0.176) 13.383 2.766 ( 5.386 -1.610 2.240) 6.051 2.900 ( -0.177 2.502 -2.942) 3.867 2.911 ( 4.650 -9.569 0.458) 10.649 3.047 ( 5.793 -1.289 0.727) 5.979 3.260 ( -5.088 -1.762 -1.112) 5.498 3.360 ( -6.484 -3.196 -0.163) 7.231 3.411 ( 0.971 -4.791 2.743) 5.606 3.613 ( -5.167 -2.765 -10.476) 12.004 3.715 ( 3.143 4.892 -6.767) 8.922 4.049 ( 2.102 4.961 3.225) 6.279 4.246 ( 7.694 -3.282 1.636) 8.523 4.338 ( -2.580 -4.108 1.461) 5.066 4.500 ( -1.776 -1.545 -4.931) 5.464 4.830 ( -1.795 1.922 -5.444) 6.046 5.079 ( -5.753 -0.545 3.199) 6.605 5.191 ( -0.158 -5.048 5.043) 7.137 5.284 ( -1.693 -13.744 8.513) 16.255 5.328 ( -3.539 2.428 -2.544) 4.989 5.680 ( -0.324 -3.987 2.846) 4.910 5.911 ( 0.603 -2.880 2.478) 3.847 6.055 ( 11.169 -6.875 0.957) 13.150 6.162 ( 0.911 1.514 -0.069) 1.768 6.376 ( -2.441 5.764 1.285) 6.390 6.474 ( -0.215 -0.497 3.584) 3.625 6.553 ( 1.403 -0.756 -4.030) 4.333 6.677 ( -3.938 -8.605 -1.735) 9.621 6.760 ( 0.934 0.799 -6.690) 6.802 6.871 ( -3.531 3.699 4.781) 7.001 7.073 ( 5.964 2.828 -1.189) 6.707 7.232 ( 5.628 3.131 -4.668) 7.954 7.399 ( 6.955 6.524 -0.530) 9.551 7.733 ( 0.578 -0.445 -1.905) 2.040 7.808 ( -3.953 -0.088 0.289) 3.965 8.090 ( -9.684 9.154 5.812) 14.538 8.182 ( 0.602 -0.450 -5.819) 5.867 8.232 ( -0.416 1.173 -2.084) 2.427 8.244 ( -2.211 -0.429 -2.163) 3.123 8.533 ( 5.402 -2.940 2.793) 6.755 8.993 ( -1.591 2.097 -4.377) 5.108 9.107 ( 0.491 4.686 -3.251) 5.724 11.529 ( -0.847 0.121 0.163) 0.871 11.635 ( 0.164 3.013 -2.365) 3.834 11.644 ( 0.717 -0.067 0.311) 0.785 11.930 ( -8.731 3.611 5.613) 10.990 12.329 ( -0.576 -5.937 0.346) 5.975 12.657 ( 0.572 3.508 -3.174) 4.765 12.964 ( -3.581 11.067 4.239) 12.380 13.622 ( 8.244 -6.554 -9.200) 13.984 13.771 ( 3.272 -9.703 6.595) 12.180 14.205 ( -2.145 -4.024 2.648) 5.273 14.721 ( -0.139 11.404 1.465) 11.499 15.551 ( 1.756 -1.684 -4.563) 5.171 ======================= Grid point 57 (25/88) ======================= q-point: ( 0.33 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.018 ( 15.341 5.266 4.908) 16.946 1.241 ( 16.958 7.512 8.105) 20.241 1.814 ( -10.290 0.955 3.700) 10.977 1.885 ( -4.189 12.387 8.204) 15.437 2.147 ( 1.714 13.637 4.335) 14.412 2.203 ( 1.346 2.647 8.072) 8.601 2.444 ( -5.704 4.167 2.789) 7.594 2.579 ( 4.889 -2.143 -2.601) 5.938 2.838 ( -1.028 3.981 -2.573) 4.850 2.911 ( -1.523 -5.957 -0.179) 6.151 2.945 ( 1.830 -6.002 -1.360) 6.420 3.077 ( -5.180 -0.893 -1.479) 5.460 3.175 ( 0.144 3.345 2.364) 4.099 3.277 ( -0.193 1.946 3.458) 3.973 3.435 ( -1.944 -5.209 5.171) 7.593 3.525 ( 1.077 -4.691 -9.085) 10.281 3.783 ( 3.081 1.029 -3.539) 4.804 4.023 ( -0.465 0.904 -2.306) 2.520 4.271 ( -3.239 -1.399 0.052) 3.529 4.432 ( -3.560 -0.231 -3.023) 4.676 4.460 ( 9.346 -3.100 -0.756) 9.876 4.773 ( -1.255 -3.346 -2.750) 4.510 4.994 ( -3.828 3.215 3.535) 6.122 5.151 ( -3.609 -1.572 -2.888) 4.882 5.247 ( -2.692 2.475 -3.160) 4.833 5.293 ( -0.118 -9.283 10.301) 13.867 5.649 ( -3.099 -1.928 3.438) 5.014 5.945 ( 1.364 -3.507 3.399) 5.070 6.155 ( -1.002 -0.262 3.446) 3.599 6.220 ( 1.659 -0.418 2.326) 2.888 6.383 ( 2.748 0.542 0.434) 2.834 6.432 ( -2.352 -3.793 0.286) 4.472 6.534 ( -2.974 -2.275 -1.745) 4.131 6.621 ( 0.071 -5.649 -3.003) 6.398 6.767 ( -0.387 -0.177 -0.770) 0.880 6.850 ( 1.399 1.076 -0.047) 1.766 7.214 ( 7.899 5.561 -2.391) 9.952 7.309 ( 2.965 -0.020 -2.900) 4.148 7.458 ( -3.380 -0.711 8.257) 8.950 7.742 ( 2.751 1.698 -4.616) 5.636 7.796 ( 1.662 0.115 -1.256) 2.087 7.940 ( -6.295 5.912 1.622) 8.787 8.171 ( 0.783 2.901 -7.493) 8.073 8.206 ( -0.999 2.649 -3.424) 4.443 8.235 ( 1.362 1.029 -3.497) 3.891 8.641 ( 3.966 -4.115 4.023) 6.989 8.961 ( 0.306 2.897 -5.887) 6.568 9.129 ( 1.776 2.555 -0.109) 3.113 11.519 ( -0.209 0.493 0.611) 0.813 11.608 ( -1.815 4.603 -0.968) 5.041 11.665 ( 0.946 -1.146 0.792) 1.684 11.877 ( 0.071 2.351 6.321) 6.745 12.325 ( 0.435 -5.811 -2.219) 6.236 12.654 ( 0.172 3.657 -3.387) 4.987 12.912 ( -2.972 8.452 3.522) 9.626 13.695 ( 1.954 -4.031 -0.508) 4.508 13.880 ( 5.006 -9.235 2.991) 10.922 14.153 ( -2.555 -6.552 -3.880) 8.032 14.681 ( -4.252 10.625 5.831) 12.844 15.575 ( 1.968 0.125 -4.935) 5.314 ======================= Grid point 58 (26/88) ======================= q-point: (-0.50 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.333 ( 9.438 0.223 -0.497) 9.454 1.421 ( -10.920 -2.006 4.622) 12.026 1.695 ( -3.616 12.118 7.055) 14.480 1.717 ( 2.902 0.727 11.406) 11.792 2.134 ( -1.694 9.762 2.763) 10.286 2.214 ( -0.786 -0.563 -1.633) 1.898 2.519 ( -4.122 17.025 7.976) 19.247 2.611 ( 0.370 -2.344 -4.858) 5.407 2.766 ( 0.451 -0.687 -2.317) 2.458 2.851 ( -1.026 -0.293 -2.031) 2.295 2.961 ( -3.443 -6.284 -2.615) 7.627 3.010 ( 2.008 1.024 3.300) 3.996 3.169 ( -2.204 5.234 -0.764) 5.730 3.310 ( 0.122 -1.631 6.108) 6.323 3.437 ( 1.711 0.131 2.787) 3.273 3.543 ( 1.295 2.963 0.406) 3.259 3.819 ( 3.973 -5.523 -1.335) 6.933 4.063 ( 3.740 -5.680 -7.476) 10.106 4.238 ( -0.811 0.030 0.069) 0.815 4.340 ( -2.410 1.622 -2.783) 4.023 4.537 ( -1.761 -5.940 -3.732) 7.232 4.808 ( 4.425 -1.169 -0.223) 4.582 4.935 ( -2.969 4.918 4.462) 7.274 5.052 ( -4.406 -3.535 -2.115) 6.032 5.226 ( 1.763 0.895 -3.661) 4.161 5.336 ( 1.142 -4.648 6.616) 8.166 5.606 ( -1.700 -0.450 3.794) 4.182 5.972 ( -0.275 -2.673 4.056) 4.865 6.117 ( -3.307 -1.226 2.730) 4.460 6.230 ( -0.466 2.944 3.226) 4.392 6.346 ( -3.522 -1.312 -1.305) 3.979 6.462 ( -1.366 -1.553 -3.788) 4.316 6.483 ( 2.246 -5.442 0.982) 5.968 6.635 ( 1.724 -4.937 -1.439) 5.424 6.751 ( -0.652 1.826 2.220) 2.948 6.914 ( 4.227 -3.097 -0.726) 5.290 7.290 ( -3.623 3.406 0.513) 4.999 7.329 ( 0.847 -0.076 -0.663) 1.079 7.451 ( 3.840 3.954 0.741) 5.561 7.704 ( -7.108 -0.002 3.457) 7.904 7.846 ( 1.551 -2.570 -3.600) 4.688 7.865 ( 1.494 2.144 -2.248) 3.447 8.171 ( 0.989 2.150 -7.727) 8.081 8.191 ( 1.359 5.418 -2.637) 6.177 8.262 ( 2.639 2.390 -4.574) 5.796 8.720 ( 2.096 -5.558 4.549) 7.482 8.970 ( 2.561 3.747 -4.746) 6.567 9.161 ( 0.977 1.922 0.827) 2.309 11.525 ( 0.496 0.463 0.833) 1.074 11.574 ( -1.141 3.952 0.256) 4.122 11.679 ( 0.039 -0.947 0.705) 1.181 11.941 ( 3.583 1.738 7.943) 8.886 12.329 ( 0.734 -5.472 -3.397) 6.483 12.643 ( 0.227 4.959 -4.795) 6.902 12.868 ( -2.417 3.808 3.606) 5.774 13.719 ( 0.042 -4.081 3.278) 5.235 13.979 ( 2.784 -3.111 6.778) 7.961 14.078 ( -1.839 -11.658 -13.461) 17.902 14.607 ( -4.901 11.944 7.171) 14.768 15.594 ( 1.491 1.116 -4.477) 4.849 ======================= Grid point 59 (27/88) ======================= q-point: (-0.33 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( -19.495 1.416 8.650) 21.375 1.206 ( -17.024 7.660 8.375) 20.461 1.812 ( 7.416 5.571 6.932) 11.579 1.951 ( 8.800 1.951 3.616) 9.711 2.089 ( -4.116 11.391 -0.983) 12.151 2.164 ( -8.602 7.776 8.281) 14.249 2.377 ( 0.197 7.877 1.217) 7.973 2.544 ( -1.438 -1.020 -2.912) 3.405 2.798 ( -0.599 -3.762 -3.063) 4.889 2.850 ( -1.477 -0.322 -1.083) 1.859 2.884 ( -3.061 -7.412 -4.049) 8.983 3.099 ( -0.551 0.946 -1.989) 2.270 3.135 ( 8.103 3.431 2.535) 9.157 3.333 ( 0.800 -1.843 5.276) 5.646 3.496 ( 1.190 2.318 3.596) 4.441 3.578 ( 1.826 6.938 0.260) 7.179 3.943 ( 7.169 -6.519 -0.665) 9.712 4.054 ( -4.159 -8.735 -5.265) 11.014 4.188 ( 0.219 -2.030 -0.021) 2.042 4.385 ( -4.007 0.845 -3.017) 5.086 4.414 ( 0.666 0.787 -1.974) 2.227 4.863 ( -0.364 -0.882 -3.116) 3.259 4.883 ( -2.016 5.832 -3.013) 6.867 5.039 ( 3.230 -7.738 7.057) 10.960 5.272 ( 2.763 -0.359 -0.808) 2.901 5.376 ( 1.116 -1.785 3.461) 4.051 5.610 ( 0.430 -0.060 2.887) 2.919 5.964 ( -1.617 -0.987 4.188) 4.597 6.066 ( -1.569 -2.346 0.645) 2.895 6.223 ( -2.194 2.138 4.316) 5.292 6.271 ( -2.549 -0.170 -4.374) 5.066 6.416 ( -1.196 -2.226 -1.550) 2.964 6.538 ( 2.522 -4.787 -0.778) 5.467 6.670 ( 1.964 -4.349 -0.491) 4.797 6.769 ( 1.600 0.227 1.811) 2.427 6.992 ( 2.847 -4.138 1.278) 5.183 7.180 ( -5.558 3.780 -1.834) 6.967 7.307 ( -3.065 1.721 -0.488) 3.549 7.427 ( -9.138 7.275 3.052) 12.073 7.654 ( 4.349 -2.451 -2.744) 5.696 7.859 ( 1.783 0.233 -1.565) 2.384 7.920 ( 3.360 2.443 -1.026) 4.280 8.168 ( 1.399 -0.365 -5.540) 5.725 8.222 ( 1.904 3.010 -2.002) 4.086 8.304 ( 2.590 2.682 -3.933) 5.419 8.742 ( -1.453 -7.980 3.196) 8.718 9.036 ( 4.676 3.993 -1.334) 6.292 9.169 ( -0.352 2.160 -0.229) 2.201 11.539 ( 0.447 0.071 1.124) 1.212 11.570 ( 0.726 3.471 -0.247) 3.555 11.671 ( -1.070 -0.972 0.721) 1.615 12.086 ( 7.753 0.605 11.761) 14.100 12.330 ( 0.468 -5.133 -3.094) 6.012 12.634 ( 0.958 6.595 -6.333) 9.194 12.838 ( -1.867 -0.326 3.645) 4.108 13.722 ( -1.167 -4.761 5.328) 7.240 13.937 ( -6.755 -6.904 -12.639) 15.907 14.069 ( 3.137 -5.247 1.241) 6.238 14.543 ( -3.298 14.290 6.163) 15.908 15.602 ( 0.693 0.928 -4.171) 4.328 ======================= Grid point 60 (28/88) ======================= q-point: (-0.17 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.748 ( -14.518 8.282 13.691) 21.606 0.917 ( -13.788 15.077 14.814) 25.237 1.664 ( -20.209 26.818 21.684) 39.973 1.959 ( -1.386 3.333 -3.326) 4.908 2.068 ( -2.519 11.153 2.925) 11.802 2.255 ( 14.569 0.846 2.602) 14.823 2.466 ( 2.287 -0.667 -1.207) 2.671 2.608 ( 4.103 -1.672 -1.949) 4.841 2.708 ( -0.873 -1.670 0.243) 1.900 2.803 ( -2.220 -6.179 -4.087) 7.734 2.869 ( 2.688 -3.250 -3.903) 5.746 3.093 ( 0.776 -3.313 0.143) 3.405 3.266 ( -0.596 -4.652 0.662) 4.737 3.449 ( 10.459 1.719 3.104) 11.045 3.466 ( -4.366 1.872 6.079) 7.715 3.613 ( 2.066 7.724 -6.113) 10.065 3.898 ( -7.914 -6.664 -2.160) 10.569 4.032 ( -2.424 -0.394 -2.657) 3.618 4.196 ( -2.558 -4.911 -1.118) 5.649 4.268 ( 2.840 -2.294 4.617) 5.886 4.503 ( 3.945 -1.422 -3.887) 5.718 4.824 ( 0.990 -0.064 3.165) 3.317 4.868 ( 0.403 9.084 -5.564) 10.660 5.157 ( 4.696 -9.827 6.344) 12.605 5.294 ( -1.505 -1.629 2.607) 3.423 5.414 ( 1.522 0.425 0.709) 1.732 5.618 ( -0.168 -2.502 0.337) 2.530 5.934 ( -2.717 -0.285 3.976) 4.825 6.064 ( -2.179 -2.224 3.528) 4.706 6.146 ( -3.407 -0.822 -0.311) 3.518 6.245 ( 1.991 2.900 -3.027) 4.640 6.415 ( 1.188 -0.821 -0.794) 1.648 6.577 ( 1.243 -3.500 -0.972) 3.840 6.711 ( 2.060 -6.178 -0.691) 6.549 6.818 ( 2.312 0.285 1.711) 2.891 6.996 ( -3.771 -4.801 0.113) 6.106 7.091 ( -1.895 5.477 -5.789) 8.192 7.167 ( -8.392 4.297 4.679) 10.525 7.304 ( -2.366 10.743 -3.241) 11.468 7.710 ( 1.203 -0.256 -1.678) 2.080 7.895 ( 1.184 -0.528 0.252) 1.321 8.023 ( 7.290 3.623 -2.620) 8.552 8.189 ( 1.984 -1.849 -3.711) 4.597 8.247 ( 0.975 0.517 -0.961) 1.463 8.333 ( 1.354 -0.016 -0.912) 1.632 8.676 ( -6.581 -10.116 3.659) 12.611 9.111 ( 0.618 1.906 0.148) 2.009 9.154 ( 0.875 3.775 -5.560) 6.778 11.550 ( 0.173 -0.235 0.627) 0.692 11.593 ( 1.630 2.991 -0.799) 3.499 11.648 ( -1.210 -1.025 0.613) 1.700 12.287 ( 3.649 -7.381 -4.992) 9.629 12.362 ( 4.539 -3.920 13.694) 14.949 12.660 ( 3.904 4.625 -4.069) 7.293 12.823 ( 1.374 -1.333 2.539) 3.180 13.649 ( -15.020 0.508 -11.106) 18.687 13.723 ( -1.324 -7.049 -1.592) 7.347 14.145 ( 2.719 -0.933 7.119) 7.677 14.535 ( 1.650 17.532 2.650) 17.808 15.589 ( -0.716 -0.517 -4.085) 4.180 ======================= Grid point 61 (29/88) ======================= q-point: ( 0.00 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( 1.938 23.072 2.515) 23.289 1.213 ( -3.160 21.595 8.275) 23.341 2.010 ( 1.361 0.404 0.214) 1.436 2.089 ( -0.478 17.065 11.715) 20.705 2.308 ( -0.052 9.240 -0.612) 9.260 2.425 ( -3.856 0.861 2.804) 4.845 2.486 ( -1.986 6.366 1.635) 6.866 2.547 ( 8.306 1.727 1.253) 8.576 2.646 ( 0.066 -3.862 1.492) 4.141 2.785 ( 1.486 -8.300 0.231) 8.436 2.889 ( 3.489 1.963 -1.919) 4.440 2.944 ( -0.692 -0.447 0.393) 0.913 3.195 ( 0.625 -1.654 -1.048) 2.056 3.367 ( -5.670 -2.456 -3.782) 7.244 3.528 ( -5.393 -4.896 -1.905) 7.529 3.566 ( -2.563 -2.684 -4.137) 5.557 3.860 ( 5.157 1.791 -7.859) 9.570 3.949 ( -1.143 -4.633 1.038) 4.884 4.154 ( 0.982 2.174 6.199) 6.642 4.274 ( -0.073 -0.358 5.570) 5.582 4.441 ( 0.716 -4.200 -0.670) 4.313 4.837 ( -2.850 -11.331 2.095) 11.871 4.890 ( 3.766 -2.373 3.261) 5.517 5.039 ( 1.419 -7.884 4.326) 9.104 5.368 ( -1.810 10.012 -0.760) 10.203 5.430 ( 0.092 1.882 -3.946) 4.373 5.543 ( -0.025 -2.256 0.920) 2.437 5.890 ( -0.215 -0.792 3.688) 3.778 5.904 ( -5.757 -1.894 2.704) 6.636 6.147 ( 1.691 -2.688 -2.367) 3.960 6.390 ( 5.399 0.446 0.280) 5.425 6.453 ( 1.230 -1.963 -2.343) 3.295 6.555 ( -1.029 -4.009 1.397) 4.368 6.611 ( 1.391 5.431 0.538) 5.632 6.761 ( -4.051 -6.827 0.201) 7.942 6.943 ( 2.677 0.596 2.174) 3.499 7.068 ( -0.978 4.608 -1.134) 4.846 7.249 ( 0.410 2.608 0.303) 2.658 7.497 ( -0.248 7.104 -0.238) 7.112 7.728 ( 0.198 0.924 -2.422) 2.600 7.904 ( -1.667 0.651 -0.007) 1.789 8.118 ( -4.202 -2.417 -2.585) 5.494 8.160 ( 1.770 -0.419 -1.325) 2.251 8.240 ( 2.334 -0.016 -4.443) 5.019 8.309 ( 3.987 -1.301 5.392) 6.831 8.500 ( -3.139 0.363 -0.478) 3.195 9.102 ( -2.421 2.151 -3.757) 4.960 9.189 ( -0.341 0.376 -4.961) 4.987 11.542 ( -0.623 0.006 0.444) 0.765 11.596 ( -0.201 -1.633 1.091) 1.974 11.701 ( 2.068 3.692 -5.125) 6.646 12.075 ( -2.294 -7.122 -8.360) 11.219 12.348 ( -4.936 3.619 8.132) 10.178 12.701 ( 0.523 -0.461 -0.906) 1.143 12.966 ( 8.407 -0.509 0.872) 8.467 13.414 ( 0.192 -7.330 -15.743) 17.367 13.757 ( -3.642 9.130 12.163) 15.638 14.161 ( -1.239 -2.060 11.193) 11.448 14.934 ( 3.496 11.917 -2.158) 12.605 15.474 ( -0.899 -5.292 -2.869) 6.087 ======================= Grid point 62 (30/88) ======================= q-point: ( 0.17 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( 0.987 21.356 6.634) 22.384 1.230 ( 7.085 18.921 4.232) 20.642 2.047 ( -1.784 0.993 -0.097) 2.045 2.131 ( 0.370 6.670 5.713) 8.790 2.240 ( -5.970 2.638 3.885) 7.595 2.401 ( 2.304 12.056 3.751) 12.835 2.480 ( 0.141 6.720 4.909) 8.323 2.624 ( -0.404 -0.208 -2.609) 2.648 2.721 ( 2.923 -1.560 0.577) 3.364 2.751 ( 0.983 -4.092 3.629) 5.557 2.970 ( 3.064 4.219 0.418) 5.231 3.021 ( 6.958 -0.305 1.406) 7.105 3.218 ( -0.551 -3.955 -1.617) 4.308 3.242 ( -3.992 -5.749 -4.252) 8.189 3.370 ( -3.862 0.821 -4.437) 5.940 3.535 ( -1.731 -3.925 -4.302) 6.075 3.783 ( -2.773 -0.178 -9.046) 9.463 4.118 ( 6.652 -2.743 4.878) 8.693 4.165 ( 1.582 -0.963 3.604) 4.052 4.265 ( -2.372 -1.887 4.435) 5.371 4.451 ( -0.509 -2.195 -0.296) 2.272 4.739 ( -5.201 -9.010 0.454) 10.413 4.999 ( 2.918 -7.592 8.685) 11.899 5.057 ( -0.717 -5.448 2.251) 5.938 5.296 ( -4.058 9.951 -3.167) 11.204 5.390 ( -1.499 3.800 -4.479) 6.062 5.578 ( 1.511 -4.504 2.407) 5.325 5.848 ( -0.641 -2.804 0.087) 2.877 5.970 ( 6.807 -2.271 1.474) 7.326 6.161 ( 0.635 -2.527 -0.359) 2.631 6.443 ( -1.918 -1.751 -1.468) 2.984 6.457 ( 0.146 -1.310 2.895) 3.181 6.523 ( -2.062 -4.020 0.933) 4.614 6.603 ( -2.840 6.450 1.492) 7.204 6.697 ( -1.090 -4.258 -1.261) 4.573 6.940 ( -2.851 2.529 5.021) 6.303 7.142 ( 6.739 2.412 -1.786) 7.377 7.277 ( 2.542 0.877 -2.269) 3.518 7.499 ( -0.398 4.110 1.704) 4.467 7.728 ( 0.668 -0.367 -5.192) 5.248 7.828 ( -3.024 1.971 -0.177) 3.614 8.067 ( -1.317 -4.442 -1.092) 4.760 8.213 ( 2.773 1.462 -1.549) 3.497 8.255 ( -0.422 0.864 -2.536) 2.712 8.344 ( -1.259 5.023 1.121) 5.299 8.493 ( 3.327 -0.905 0.099) 3.449 9.046 ( -1.230 2.843 -4.660) 5.596 9.162 ( -0.197 0.697 -4.341) 4.401 11.532 ( -0.390 0.345 0.339) 0.621 11.608 ( 1.004 -1.718 0.935) 2.198 11.720 ( 1.363 3.612 -5.689) 6.875 11.977 ( -4.162 -0.873 -3.513) 5.516 12.285 ( -2.684 2.876 4.422) 5.918 12.689 ( -1.010 -0.631 -1.641) 2.027 13.106 ( 2.965 1.296 0.817) 3.338 13.421 ( 5.534 -10.494 -10.543) 15.871 13.725 ( -3.107 5.562 10.621) 12.385 14.137 ( -4.201 -2.718 8.704) 10.040 14.971 ( 0.176 11.597 0.271) 11.601 15.486 ( 2.918 -4.571 -4.179) 6.846 ======================= Grid point 63 (31/88) ======================= q-point: ( 0.33 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( 5.512 15.940 5.062) 17.609 1.456 ( 11.493 12.579 3.062) 17.312 1.877 ( -12.406 5.756 3.409) 14.095 2.077 ( -4.935 2.914 5.754) 8.121 2.214 ( -3.422 -1.737 -0.532) 3.875 2.352 ( -4.659 -1.297 2.752) 5.564 2.524 ( 5.486 10.059 -2.734) 11.780 2.680 ( -0.650 -4.373 -2.392) 5.026 2.785 ( 3.638 7.748 3.548) 9.265 2.824 ( 3.742 -0.901 5.547) 6.752 2.979 ( -1.328 3.601 -0.508) 3.871 3.055 ( -1.950 0.335 -5.261) 5.621 3.233 ( 2.451 0.952 0.039) 2.629 3.266 ( 7.173 -3.297 2.223) 8.201 3.352 ( -0.641 -1.051 0.447) 1.309 3.468 ( 0.133 3.200 -4.209) 5.289 3.778 ( 4.083 -4.923 -6.608) 9.197 4.066 ( -7.683 5.358 6.868) 11.615 4.218 ( -1.530 -3.254 2.336) 4.287 4.338 ( 6.609 -8.644 -1.411) 10.973 4.387 ( -5.421 -3.922 -0.359) 6.700 4.685 ( -0.429 -6.271 4.809) 7.915 4.996 ( -3.264 -4.940 2.872) 6.581 5.103 ( 2.834 -5.739 4.850) 8.031 5.202 ( -3.637 8.149 -4.248) 9.884 5.347 ( -1.067 4.961 -5.461) 7.454 5.599 ( -0.113 -2.091 2.921) 3.594 5.860 ( 1.286 -4.331 1.349) 4.715 6.111 ( 3.401 -3.057 2.250) 5.096 6.185 ( 2.805 -2.709 0.618) 3.948 6.371 ( -4.145 -2.001 -0.048) 4.603 6.432 ( -2.022 -0.820 -0.576) 2.257 6.497 ( -1.205 -2.239 2.201) 3.363 6.537 ( -2.845 1.842 0.561) 3.436 6.704 ( 1.738 -3.521 -0.466) 3.955 6.889 ( -3.718 1.759 5.499) 6.867 7.260 ( 3.427 -1.612 -2.234) 4.398 7.343 ( 6.123 1.604 -2.679) 6.874 7.467 ( -3.431 3.734 2.433) 5.625 7.733 ( 2.987 -2.224 -7.324) 8.217 7.824 ( 1.189 2.664 0.295) 2.932 8.001 ( -5.729 0.457 1.736) 6.003 8.198 ( -1.890 -0.393 -3.806) 4.268 8.252 ( 1.251 1.748 -0.666) 2.251 8.357 ( 2.324 7.981 -5.743) 10.103 8.572 ( 3.130 -2.278 3.180) 5.010 9.026 ( 0.830 3.252 -4.830) 5.882 9.162 ( 1.197 0.303 -2.276) 2.589 11.532 ( 0.242 0.962 0.442) 1.086 11.636 ( 1.183 -1.604 0.939) 2.203 11.707 ( -0.672 4.345 -5.746) 7.235 11.922 ( -0.421 0.613 0.877) 1.150 12.266 ( -0.427 1.236 1.373) 1.896 12.661 ( -1.027 -2.160 -0.964) 2.579 13.086 ( -3.117 5.752 -4.498) 7.940 13.545 ( 7.494 -15.765 -3.191) 17.745 13.706 ( -2.035 2.641 8.574) 9.199 14.069 ( -4.608 -2.281 7.474) 9.072 14.954 ( -1.771 13.747 1.658) 13.959 15.537 ( 3.108 -3.931 -4.896) 7.006 ======================= Grid point 64 (32/88) ======================= q-point: (-0.50 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( 3.355 8.592 5.002) 10.492 1.526 ( -6.653 10.549 -1.911) 12.617 1.809 ( 7.209 6.928 7.739) 12.643 1.950 ( -7.713 10.498 8.524) 15.567 2.160 ( 1.008 -3.064 -2.240) 3.927 2.314 ( -1.427 -0.585 -0.479) 1.615 2.569 ( -2.074 2.960 -3.996) 5.388 2.612 ( -3.003 -6.720 -4.378) 8.565 2.782 ( -0.575 -2.390 -3.794) 4.521 2.831 ( -2.368 1.100 -1.472) 2.997 3.000 ( -1.315 6.102 1.958) 6.542 3.066 ( 2.471 3.823 4.566) 6.447 3.261 ( -2.227 -1.909 0.915) 3.072 3.286 ( 1.040 9.753 0.501) 9.821 3.458 ( 6.635 -1.052 5.370) 8.600 3.577 ( 8.175 4.698 0.044) 9.429 3.831 ( 1.855 -1.523 -3.398) 4.160 3.920 ( -5.887 -0.298 1.655) 6.123 4.193 ( -4.588 -3.681 1.085) 5.981 4.310 ( 2.238 -4.225 0.307) 4.791 4.396 ( -0.367 -7.745 -1.747) 7.948 4.720 ( 0.462 -8.378 8.524) 11.961 4.942 ( -2.255 -2.829 -0.364) 3.636 5.087 ( -4.439 1.894 -1.667) 5.106 5.207 ( 4.336 2.274 0.917) 4.982 5.324 ( 1.009 3.178 -5.350) 6.304 5.610 ( 0.313 0.816 3.342) 3.454 5.894 ( 1.033 -4.513 3.026) 5.531 6.097 ( -3.267 -0.411 2.305) 4.019 6.256 ( 1.085 -2.636 2.757) 3.966 6.299 ( -2.527 -1.792 -1.260) 3.344 6.403 ( -0.031 -3.499 -3.083) 4.664 6.465 ( -1.696 3.018 1.492) 3.770 6.525 ( 0.811 -4.381 0.806) 4.528 6.756 ( 2.751 -3.149 0.697) 4.239 6.840 ( -2.171 -1.907 4.380) 5.247 7.267 ( -0.796 -0.741 -2.677) 2.890 7.381 ( -3.750 -0.773 2.190) 4.412 7.513 ( 9.162 4.374 -5.801) 11.693 7.775 ( -2.724 0.299 3.030) 4.085 7.809 ( -1.032 3.652 -0.935) 3.909 7.911 ( 0.319 2.819 -2.720) 3.930 8.168 ( 0.068 -1.707 -5.748) 5.996 8.263 ( 0.036 0.464 -0.393) 0.609 8.376 ( 1.469 7.183 -5.423) 9.119 8.626 ( 0.686 -3.202 3.354) 4.688 9.047 ( 2.690 3.609 -3.561) 5.739 9.185 ( 1.287 0.113 -1.062) 1.672 11.542 ( 0.391 1.273 0.724) 1.516 11.649 ( -0.446 -0.264 0.089) 0.526 11.675 ( -0.195 3.601 -3.848) 5.274 11.958 ( 3.184 -1.332 1.626) 3.815 12.271 ( 0.481 1.079 0.857) 1.459 12.648 ( 0.099 -3.241 -0.227) 3.250 12.988 ( -4.105 5.792 -6.616) 9.704 13.635 ( 1.082 -18.571 -6.039) 19.558 13.721 ( 1.374 2.895 9.840) 10.349 14.024 ( -2.240 -0.251 9.189) 9.462 14.917 ( -2.192 15.580 1.038) 15.768 15.569 ( 1.535 -3.849 -4.602) 6.193 ======================= Grid point 65 (33/88) ======================= q-point: (-0.33 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( -10.414 16.002 4.117) 19.531 1.442 ( -7.881 13.674 3.854) 16.246 1.946 ( 5.678 6.959 6.337) 10.992 2.008 ( 7.519 3.223 2.868) 8.669 2.232 ( 5.959 -0.159 0.239) 5.965 2.259 ( -3.675 -0.364 -3.032) 4.778 2.452 ( -5.373 -0.127 -2.043) 5.750 2.566 ( 0.146 -4.251 -2.362) 4.865 2.747 ( -3.229 2.065 -0.779) 3.912 2.808 ( 0.228 1.549 -3.883) 4.186 2.924 ( -5.488 6.848 5.574) 10.396 3.077 ( -3.456 0.657 -3.382) 4.880 3.209 ( -2.753 3.370 -0.099) 4.353 3.322 ( 3.694 2.170 7.629) 8.749 3.570 ( 1.423 3.215 5.633) 6.640 3.719 ( 5.094 5.357 -3.306) 8.098 3.821 ( -3.009 -11.277 -7.092) 13.657 3.910 ( 4.973 3.846 6.046) 8.723 4.098 ( -2.583 -6.812 -1.729) 7.487 4.326 ( -5.174 -5.145 0.573) 7.319 4.412 ( 4.208 -1.626 0.106) 4.513 4.756 ( 0.744 -10.602 8.484) 13.599 4.894 ( -2.155 -2.449 -1.933) 3.791 5.011 ( -1.789 1.540 -0.469) 2.407 5.304 ( 4.440 4.921 -0.149) 6.630 5.350 ( 2.678 0.164 -2.831) 3.900 5.618 ( -1.161 1.015 2.425) 2.874 5.930 ( 1.516 -2.191 3.742) 4.594 6.040 ( -2.187 0.079 0.587) 2.265 6.222 ( -5.560 -2.799 4.043) 7.423 6.260 ( -0.162 -0.584 -3.132) 3.190 6.403 ( 1.194 -2.719 -3.231) 4.388 6.472 ( 2.036 1.702 0.349) 2.676 6.552 ( 1.198 -4.786 1.498) 5.156 6.799 ( 1.853 0.432 0.351) 1.935 6.843 ( 0.042 -8.349 4.150) 9.324 7.226 ( -2.119 1.948 -3.298) 4.377 7.314 ( -3.393 -0.993 0.731) 3.610 7.624 ( -7.775 9.549 5.342) 13.423 7.667 ( 6.134 3.452 -4.618) 8.418 7.852 ( 2.572 -0.886 -2.447) 3.660 7.966 ( 5.197 2.122 -1.684) 5.860 8.151 ( 0.270 -1.327 -5.813) 5.969 8.256 ( -0.487 -1.465 0.041) 1.544 8.372 ( -1.010 4.231 -3.330) 5.479 8.616 ( -2.402 -4.060 1.870) 5.074 9.106 ( 3.530 2.975 -1.206) 4.772 9.197 ( 0.284 0.409 -1.903) 1.967 11.548 ( -0.060 0.929 1.134) 1.467 11.633 ( -0.840 0.236 -0.526) 1.018 11.667 ( 0.524 2.872 -3.275) 4.388 12.047 ( 4.777 -5.340 -0.721) 7.201 12.295 ( 1.286 2.748 4.770) 5.653 12.663 ( 1.120 -3.570 -0.041) 3.742 12.890 ( -2.702 5.467 -7.519) 9.681 13.586 ( -2.186 -15.284 -9.801) 18.287 13.776 ( -0.111 3.127 9.387) 9.895 14.047 ( 0.727 0.121 12.071) 12.094 14.881 ( -1.222 16.098 -0.494) 16.152 15.566 ( -0.434 -4.638 -4.070) 6.186 ======================= Grid point 66 (34/88) ======================= q-point: (-0.17 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( -4.658 22.621 1.769) 23.163 1.285 ( -7.629 18.855 9.041) 22.259 1.999 ( 0.495 2.548 -0.572) 2.658 2.134 ( -5.413 8.188 4.117) 10.644 2.271 ( 11.968 2.619 4.350) 13.001 2.318 ( 0.516 6.481 1.740) 6.730 2.415 ( 2.509 -3.378 -0.399) 4.227 2.584 ( -1.425 -4.767 -1.528) 5.204 2.677 ( -0.822 9.425 2.405) 9.761 2.758 ( -4.699 1.454 2.554) 5.543 2.859 ( 0.138 4.548 -3.985) 6.048 2.982 ( -2.622 -5.593 -1.612) 6.384 3.199 ( 0.340 -1.764 -1.221) 2.172 3.448 ( 4.409 -1.944 1.518) 5.052 3.527 ( -5.192 3.670 4.567) 7.829 3.709 ( -5.221 -9.557 -4.280) 11.701 3.775 ( 2.606 5.108 -5.852) 8.193 4.027 ( -0.177 -2.945 0.118) 2.952 4.078 ( 2.716 -3.230 1.458) 4.465 4.253 ( -1.280 0.149 4.952) 5.117 4.444 ( -0.294 -3.081 -0.522) 3.138 4.801 ( 0.842 -5.481 6.389) 8.460 4.877 ( 1.124 -7.467 -2.110) 7.840 5.003 ( 0.268 -3.099 2.687) 4.111 5.369 ( 1.772 7.948 -0.022) 8.143 5.401 ( 2.740 -0.956 -1.520) 3.276 5.578 ( -2.538 0.574 -0.160) 2.607 5.926 ( -3.382 -0.356 4.408) 5.567 6.034 ( -4.218 -1.553 5.053) 6.763 6.110 ( -0.579 -2.946 -2.617) 3.983 6.286 ( 3.969 1.423 -2.627) 4.968 6.427 ( 1.892 -2.001 -2.695) 3.853 6.532 ( 3.086 0.986 -0.095) 3.242 6.578 ( 0.877 -3.111 1.521) 3.572 6.828 ( -2.592 -9.093 3.077) 9.944 6.860 ( 3.812 0.930 -0.278) 3.933 7.150 ( -4.546 2.425 -2.330) 5.654 7.258 ( -1.908 2.511 2.261) 3.881 7.524 ( -2.898 10.091 1.242) 10.572 7.730 ( 1.217 1.831 -2.686) 3.471 7.890 ( 1.869 0.065 -0.833) 2.047 8.089 ( 5.709 1.523 -2.452) 6.397 8.161 ( 3.723 -0.468 -4.898) 6.170 8.248 ( -0.915 -5.177 1.801) 5.558 8.290 ( -5.739 1.776 -1.033) 6.095 8.562 ( -2.910 -2.537 0.680) 3.920 9.147 ( -0.384 1.627 -0.741) 1.828 9.194 ( 1.120 0.551 -4.472) 4.643 11.549 ( -0.241 0.260 0.953) 1.017 11.609 ( -1.311 -1.220 0.804) 1.963 11.678 ( 1.745 3.812 -4.729) 6.320 12.108 ( 1.800 -9.217 -6.979) 11.700 12.361 ( 1.264 3.047 10.649) 11.148 12.682 ( 0.791 -3.094 0.271) 3.205 12.854 ( 2.431 5.428 -6.046) 8.480 13.495 ( -2.357 -12.097 -14.499) 19.029 13.782 ( -2.597 8.374 11.456) 14.426 14.116 ( 1.218 -1.091 12.749) 12.854 14.879 ( 1.805 14.748 -2.034) 14.997 15.524 ( -2.194 -5.563 -3.341) 6.850 ======================= Grid point 67 (35/88) ======================= q-point: ( 0.00 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.558 ( 0.808 21.625 -1.133) 21.670 1.622 ( -1.666 17.216 5.045) 18.017 1.905 ( 0.032 -9.841 2.152) 10.074 1.971 ( -0.034 -16.978 -1.872) 17.081 2.399 ( -0.558 3.434 -3.129) 4.680 2.461 ( 1.208 -0.854 -1.279) 1.955 2.553 ( 6.910 0.414 4.427) 8.217 2.595 ( 2.739 -4.724 3.423) 6.445 2.720 ( 0.927 8.072 0.699) 8.155 2.869 ( 4.010 -4.890 0.894) 6.387 2.972 ( -3.879 15.815 2.518) 16.478 3.045 ( -1.285 15.248 2.878) 15.570 3.149 ( -0.510 -5.577 -4.135) 6.961 3.272 ( -4.380 -2.533 -3.816) 6.337 3.502 ( -3.818 -1.649 -4.894) 6.422 3.550 ( -6.529 3.725 -2.285) 7.857 3.728 ( 4.696 -12.055 5.181) 13.937 3.782 ( 0.384 -8.812 -7.117) 11.334 4.247 ( 0.204 5.739 7.474) 9.425 4.346 ( -4.187 0.950 3.498) 5.538 4.374 ( 3.701 2.380 4.985) 6.649 4.568 ( -2.344 -12.104 6.009) 13.715 4.870 ( 1.882 0.465 1.302) 2.335 4.916 ( 0.874 -4.068 1.339) 4.371 5.415 ( 0.009 0.095 -0.962) 0.967 5.432 ( 1.282 -1.796 -0.872) 2.373 5.724 ( -3.391 12.680 -4.585) 13.903 5.861 ( -5.297 -2.279 1.205) 5.891 5.887 ( 0.152 1.312 3.067) 3.339 6.021 ( 1.723 -8.988 -3.081) 9.656 6.394 ( 3.064 0.047 -0.322) 3.082 6.406 ( 1.662 -1.379 -1.163) 2.453 6.530 ( -1.251 1.694 3.687) 4.246 6.614 ( -1.884 -5.880 3.084) 6.902 6.773 ( 3.711 7.836 -1.350) 8.775 6.909 ( 4.030 -4.440 -0.992) 6.078 7.161 ( -1.301 4.383 0.667) 4.621 7.241 ( -1.462 -2.861 3.459) 4.721 7.653 ( -2.838 7.465 -1.345) 8.099 7.740 ( -1.667 -0.626 -2.746) 3.273 7.916 ( -0.567 1.238 1.755) 2.222 8.005 ( -2.890 -6.848 2.179) 7.746 8.191 ( 4.205 2.233 -4.336) 6.439 8.228 ( 3.143 -1.193 -4.507) 5.623 8.360 ( 1.281 4.991 1.368) 5.331 8.462 ( -1.071 -3.888 -0.272) 4.042 9.144 ( -1.435 1.840 -4.071) 4.692 9.177 ( -0.617 -1.245 -4.234) 4.456 11.548 ( -0.584 0.574 0.814) 1.154 11.566 ( -0.419 -1.149 0.997) 1.578 11.792 ( 1.692 5.271 -6.027) 8.183 11.922 ( 0.595 -7.093 -7.028) 10.003 12.466 ( -2.206 6.982 5.746) 9.308 12.614 ( 0.245 -6.701 3.940) 7.777 13.046 ( 3.989 7.167 -6.394) 10.400 13.226 ( 1.702 -9.541 -10.580) 14.347 13.960 ( -3.448 8.834 11.305) 14.756 14.099 ( -2.318 -4.516 11.566) 12.631 15.156 ( 1.651 9.598 -2.368) 10.022 15.337 ( 0.193 -7.780 -2.605) 8.207 ======================= Grid point 68 (36/88) ======================= q-point: ( 0.17 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.609 ( -0.785 18.776 4.040) 19.222 1.619 ( 4.718 18.629 0.086) 19.217 1.937 ( 1.572 -11.890 1.243) 12.057 1.989 ( 2.619 -14.287 -1.379) 14.591 2.272 ( -9.952 4.193 -0.221) 10.802 2.391 ( -7.155 -6.000 -0.421) 9.347 2.635 ( 2.598 2.190 5.713) 6.647 2.670 ( 1.105 -2.077 3.838) 4.501 2.789 ( 3.954 11.466 -1.574) 12.231 2.934 ( 1.107 10.091 5.028) 11.328 3.006 ( 6.234 -3.963 2.363) 7.756 3.059 ( -4.391 -5.675 -0.421) 7.188 3.139 ( 2.772 7.334 -5.905) 9.815 3.209 ( 1.798 4.079 -3.930) 5.943 3.401 ( -2.267 0.113 -5.916) 6.337 3.475 ( 1.242 0.248 -1.321) 1.830 3.740 ( -1.368 -1.601 -4.745) 5.191 3.890 ( 8.152 -14.128 -0.334) 16.315 4.237 ( -3.084 4.661 8.862) 10.477 4.279 ( -3.995 1.667 5.284) 6.831 4.418 ( -1.609 -0.453 3.766) 4.121 4.518 ( -3.869 -10.189 7.189) 13.057 4.918 ( 1.633 -0.440 1.951) 2.581 4.957 ( 2.399 -3.703 0.521) 4.443 5.401 ( -0.849 2.527 -1.268) 2.952 5.456 ( 0.962 -2.369 -2.239) 3.399 5.627 ( -3.149 10.134 -3.030) 11.036 5.783 ( -2.328 -4.301 -1.893) 5.244 5.956 ( 5.168 1.528 0.537) 5.416 6.052 ( 2.422 -6.766 -1.591) 7.360 6.406 ( -1.621 -0.711 -0.163) 1.778 6.417 ( -0.923 -1.796 0.444) 2.068 6.506 ( -2.149 1.799 3.929) 4.826 6.574 ( -2.463 -4.436 2.516) 5.663 6.801 ( -1.533 8.523 2.351) 8.973 6.937 ( -2.021 -3.605 3.700) 5.547 7.185 ( 3.622 2.597 -1.652) 4.753 7.249 ( 1.639 -2.987 1.718) 3.816 7.609 ( -0.838 5.779 -3.372) 6.743 7.700 ( -0.922 -2.685 -5.780) 6.439 7.886 ( -1.488 3.606 1.139) 4.063 7.974 ( -0.613 -4.530 0.994) 4.678 8.237 ( 1.076 1.103 -1.834) 2.396 8.259 ( 0.581 -0.710 -1.927) 2.134 8.421 ( 3.425 3.177 1.068) 4.792 8.474 ( 2.687 -1.634 -1.181) 3.359 9.104 ( -0.687 2.581 -4.780) 5.476 9.149 ( -0.283 -1.626 -4.552) 4.842 11.547 ( 0.227 1.041 0.578) 1.212 11.574 ( 0.799 -1.539 0.797) 1.908 11.801 ( 1.096 4.392 -5.995) 7.512 11.902 ( -0.216 -5.032 -6.262) 8.036 12.424 ( -3.148 8.915 4.551) 10.493 12.605 ( -2.000 -7.344 2.120) 7.901 13.122 ( 4.416 2.630 -3.373) 6.148 13.231 ( 2.092 -7.482 -8.529) 11.537 13.904 ( -5.128 9.257 10.760) 15.092 14.060 ( -4.816 -5.370 10.373) 12.634 15.190 ( 1.992 9.423 -1.536) 9.753 15.363 ( 2.947 -7.199 -3.041) 8.353 ======================= Grid point 69 (37/88) ======================= q-point: ( 0.33 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( 1.508 18.633 3.111) 18.951 1.745 ( 6.718 14.227 0.039) 15.733 1.977 ( 2.039 -11.675 0.767) 11.877 2.020 ( -3.330 -0.097 -0.478) 3.366 2.077 ( -4.712 -3.186 1.553) 5.896 2.229 ( -7.567 -7.985 0.685) 11.023 2.612 ( -5.708 1.975 -0.130) 6.042 2.698 ( -1.358 -5.096 2.112) 5.681 2.825 ( 0.619 11.872 -0.102) 11.889 2.956 ( -1.780 -2.638 -1.931) 3.722 3.030 ( -0.852 9.267 -2.504) 9.637 3.089 ( 3.853 0.881 -0.719) 4.017 3.134 ( 4.978 -4.826 4.487) 8.258 3.258 ( 0.701 -7.957 -6.500) 10.299 3.474 ( 8.336 10.582 0.248) 13.474 3.549 ( 4.131 1.794 -0.949) 4.603 3.733 ( 4.018 7.264 -2.316) 8.619 4.043 ( 6.416 -15.766 -1.053) 17.054 4.189 ( -6.396 4.239 5.856) 9.653 4.220 ( -2.087 0.070 6.851) 7.162 4.329 ( -6.952 0.704 3.526) 7.827 4.486 ( -2.508 -11.362 10.441) 15.633 4.941 ( 0.320 0.609 0.083) 0.693 5.000 ( 1.457 -4.334 0.221) 4.578 5.368 ( -1.301 6.070 -3.433) 7.094 5.437 ( -1.216 0.822 -5.900) 6.080 5.608 ( 1.188 5.191 1.304) 5.483 5.756 ( 0.166 -6.382 -0.667) 6.419 6.071 ( 4.792 -0.279 0.476) 4.823 6.109 ( 3.358 -3.659 -0.360) 4.979 6.345 ( -3.810 -0.259 0.266) 3.828 6.371 ( -3.074 -2.823 -0.363) 4.189 6.482 ( -1.186 1.415 3.467) 3.928 6.539 ( -1.866 -3.201 2.382) 4.405 6.751 ( -3.476 6.774 3.852) 8.533 6.872 ( -5.112 -3.787 5.229) 8.235 7.256 ( 3.085 1.520 -1.980) 3.969 7.308 ( 3.023 -2.984 0.479) 4.275 7.587 ( 0.273 5.642 -4.909) 7.484 7.677 ( 1.412 -3.193 -6.575) 7.445 7.892 ( 1.508 3.903 0.079) 4.185 7.973 ( 0.075 -3.131 0.471) 3.167 8.208 ( -3.128 1.786 0.018) 3.602 8.253 ( -0.917 -1.655 0.480) 1.952 8.485 ( 2.859 4.135 -3.496) 6.123 8.538 ( 3.161 -1.484 -0.491) 3.526 9.092 ( 1.066 2.952 -4.165) 5.215 9.144 ( 1.120 -1.862 -3.373) 4.013 11.561 ( 0.859 1.742 0.578) 2.026 11.600 ( 1.261 -1.893 0.810) 2.414 11.791 ( 0.077 4.073 -6.387) 7.575 11.878 ( 0.118 -3.954 -5.228) 6.556 12.384 ( -1.980 8.732 3.790) 9.723 12.564 ( -2.239 -7.293 1.506) 7.776 13.154 ( -0.183 2.603 -5.802) 6.362 13.265 ( 3.079 -9.290 -4.282) 10.682 13.851 ( -3.290 8.541 11.016) 14.322 13.999 ( -3.994 -5.165 10.210) 12.119 15.216 ( 0.933 11.120 -1.474) 11.256 15.413 ( 2.672 -7.820 -3.533) 8.988 ======================= Grid point 70 (38/88) ======================= q-point: (-0.50 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.687 ( 2.414 17.483 4.077) 18.114 1.796 ( -3.386 14.022 -3.681) 14.887 1.954 ( 3.283 4.008 5.427) 7.503 2.032 ( -0.275 -9.515 -2.890) 9.948 2.054 ( 0.394 -3.142 4.238) 5.290 2.143 ( -0.388 -9.252 1.318) 9.353 2.489 ( -4.654 -0.816 -4.505) 6.529 2.566 ( -7.901 -5.354 -4.601) 10.596 2.861 ( 0.713 4.307 0.699) 4.421 2.886 ( -2.952 3.316 -3.471) 5.636 3.000 ( -0.159 4.191 -6.337) 7.599 3.174 ( 1.777 -2.285 3.832) 4.802 3.204 ( 1.487 2.004 3.189) 4.049 3.351 ( 8.251 -8.546 1.464) 11.969 3.567 ( 1.349 10.362 0.734) 10.475 3.646 ( 4.219 0.006 0.184) 4.223 3.850 ( 4.394 10.306 -0.444) 11.213 4.047 ( -6.848 6.028 3.448) 9.753 4.087 ( -4.744 -7.489 -2.398) 9.184 4.178 ( -1.071 -9.731 3.699) 10.465 4.291 ( 2.026 3.203 7.694) 8.577 4.484 ( -1.408 -12.587 11.817) 17.322 4.932 ( -0.942 1.885 -1.410) 2.535 5.009 ( -0.818 -5.015 -0.343) 5.092 5.349 ( 0.873 5.793 -3.372) 6.759 5.394 ( -0.200 1.752 -6.361) 6.601 5.655 ( 2.311 4.557 2.189) 5.559 5.784 ( 2.461 -6.271 1.154) 6.835 6.110 ( -0.909 1.832 1.455) 2.510 6.173 ( 1.195 -3.988 1.863) 4.561 6.278 ( -2.266 -0.069 -0.707) 2.374 6.316 ( -1.301 -3.737 -1.749) 4.326 6.483 ( 0.148 0.547 2.551) 2.613 6.514 ( -1.038 -0.720 1.693) 2.113 6.718 ( -0.666 1.923 3.132) 3.735 6.792 ( -3.705 -3.493 3.473) 6.163 7.286 ( 0.470 1.958 -1.465) 2.490 7.334 ( -0.975 -2.589 0.068) 2.767 7.620 ( 5.027 5.280 -5.603) 9.195 7.718 ( 4.114 -3.866 -3.947) 6.888 7.922 ( -0.103 4.453 1.835) 4.817 7.969 ( -0.402 0.955 0.174) 1.051 8.144 ( -2.006 1.107 -2.269) 3.225 8.218 ( -2.563 -4.134 0.871) 4.942 8.505 ( 0.358 4.773 -4.268) 6.413 8.575 ( 0.457 -2.324 -1.255) 2.681 9.117 ( 2.381 2.958 -2.743) 4.685 9.166 ( 1.773 -1.740 -2.044) 3.217 11.578 ( 0.338 2.051 0.921) 2.274 11.620 ( 0.141 -1.832 1.035) 2.109 11.769 ( 0.237 4.888 -6.543) 8.171 11.878 ( 1.648 -5.335 -5.284) 7.688 12.375 ( -0.170 7.644 3.993) 8.625 12.538 ( -0.744 -7.114 2.039) 7.438 13.101 ( -2.081 6.228 -7.449) 9.930 13.291 ( 0.852 -12.797 -5.418) 13.923 13.855 ( -0.300 7.534 12.134) 14.286 13.982 ( -1.235 -4.114 11.206) 12.001 15.214 ( -0.542 12.609 -2.058) 12.787 15.436 ( 0.703 -8.697 -3.671) 9.466 ======================= Grid point 71 (39/88) ======================= q-point: (-0.33 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.653 ( -4.410 19.703 1.609) 20.255 1.749 ( -3.070 15.249 0.460) 15.562 1.974 ( -1.485 -7.638 1.591) 7.942 2.056 ( -0.207 -11.072 -1.214) 11.140 2.117 ( 5.946 3.372 3.364) 7.618 2.210 ( 6.391 -3.183 1.680) 7.335 2.400 ( -2.288 -1.648 -5.126) 5.850 2.455 ( 0.069 -4.378 -2.681) 5.134 2.817 ( -2.380 2.114 -3.837) 4.986 2.859 ( -0.739 -1.276 -2.605) 2.994 2.992 ( 1.321 8.429 -2.509) 8.894 3.154 ( -2.166 -2.977 1.183) 3.867 3.312 ( 5.077 7.717 5.838) 10.928 3.463 ( -5.154 3.775 2.215) 6.762 3.514 ( -1.423 -2.141 0.083) 2.572 3.658 ( -3.379 -1.683 4.255) 5.688 3.862 ( -1.508 3.588 -4.244) 5.758 3.943 ( -5.502 -5.299 -4.643) 8.939 4.040 ( 3.634 6.858 7.066) 10.497 4.183 ( 0.297 -7.359 3.756) 8.267 4.389 ( 3.590 0.696 5.217) 6.371 4.508 ( -0.006 -10.781 10.626) 15.138 4.896 ( -1.938 2.135 -1.494) 3.247 4.966 ( -2.657 -3.959 -0.598) 4.805 5.367 ( 1.511 2.289 -2.064) 3.433 5.400 ( 2.139 0.467 -3.970) 4.534 5.705 ( 2.090 7.843 0.773) 8.153 5.860 ( 4.090 -5.367 1.687) 6.955 6.063 ( -3.829 2.098 1.398) 4.584 6.134 ( -5.422 -4.604 2.729) 7.618 6.264 ( 1.435 1.267 -1.875) 2.679 6.318 ( 1.806 -3.841 -2.128) 4.748 6.500 ( 0.749 0.591 2.432) 2.613 6.529 ( 2.355 -0.162 0.254) 2.375 6.723 ( -0.753 -1.142 3.315) 3.587 6.767 ( 1.037 -3.074 0.073) 3.245 7.269 ( -1.856 1.773 -0.987) 2.750 7.294 ( -1.966 -0.855 0.132) 2.148 7.717 ( 4.644 4.082 -2.921) 6.838 7.804 ( 4.708 -3.323 -1.611) 5.983 7.861 ( -5.239 9.509 3.731) 11.480 7.989 ( 1.536 -1.370 1.115) 2.341 8.123 ( 1.019 -0.597 -5.028) 5.165 8.169 ( -1.816 -5.017 -1.118) 5.452 8.470 ( -2.512 4.635 -3.262) 6.200 8.550 ( -2.010 -3.057 -1.873) 4.111 9.159 ( 2.153 2.018 -1.643) 3.378 9.190 ( 0.993 -0.948 -2.058) 2.473 11.576 ( -0.795 1.623 1.303) 2.228 11.610 ( -1.314 -1.528 1.169) 2.330 11.764 ( 1.453 5.729 -6.629) 8.881 11.903 ( 2.424 -7.409 -6.175) 9.944 12.405 ( 1.458 6.747 5.561) 8.864 12.548 ( 0.824 -6.636 2.746) 7.229 13.039 ( -0.994 8.917 -8.402) 12.293 13.270 ( -0.213 -13.461 -8.386) 15.861 13.907 ( 0.803 6.949 12.701) 14.500 14.019 ( 0.558 -3.323 12.239) 12.695 15.184 ( -1.396 12.943 -2.675) 13.290 15.417 ( -1.301 -9.381 -3.508) 10.100 ======================= Grid point 72 (40/88) ======================= q-point: (-0.17 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.585 ( -2.290 21.741 -1.788) 21.935 1.661 ( -4.489 16.539 4.689) 17.768 1.939 ( -3.140 -8.890 2.282) 9.700 1.996 ( -1.926 -15.893 -3.333) 16.353 2.315 ( 10.521 2.320 1.646) 10.899 2.350 ( 5.578 -0.283 -1.343) 5.745 2.418 ( 4.809 2.216 0.634) 5.333 2.504 ( 3.924 -4.741 1.060) 6.245 2.750 ( -2.730 3.418 -1.522) 4.632 2.840 ( 0.126 -3.732 -3.277) 4.968 3.014 ( 0.766 8.807 -3.313) 9.441 3.124 ( -2.080 4.975 3.674) 6.525 3.219 ( -11.234 13.617 3.655) 18.028 3.399 ( -4.297 -1.959 -0.281) 4.731 3.499 ( 2.797 -4.770 -2.692) 6.150 3.634 ( -1.095 0.230 5.706) 5.815 3.750 ( -7.020 -7.933 -1.292) 10.671 3.835 ( -3.208 -7.331 -7.736) 11.131 4.169 ( 4.751 6.468 7.551) 11.020 4.256 ( 4.984 -0.724 4.564) 6.797 4.412 ( -2.463 1.490 3.188) 4.295 4.557 ( 0.910 -11.514 7.862) 13.972 4.857 ( -0.915 1.725 -0.694) 2.073 4.920 ( -1.590 -4.049 0.885) 4.439 5.395 ( 1.695 0.663 -1.488) 2.351 5.423 ( 0.787 -1.460 -1.650) 2.339 5.744 ( 1.651 12.148 -1.858) 12.400 5.917 ( -1.491 -1.623 4.639) 5.136 5.988 ( -5.109 -2.363 3.431) 6.592 6.011 ( -3.046 -5.719 -3.646) 7.435 6.317 ( 4.060 1.637 -1.708) 4.699 6.361 ( 2.865 -2.780 -2.027) 4.477 6.526 ( 0.431 1.419 3.353) 3.666 6.597 ( 3.172 -3.085 0.892) 4.513 6.719 ( 0.483 2.676 0.770) 2.826 6.821 ( 4.266 -4.398 -2.052) 6.462 7.211 ( -3.190 3.200 0.393) 4.535 7.265 ( -1.565 -1.546 1.955) 2.943 7.729 ( -3.990 8.413 2.012) 9.526 7.780 ( -1.258 2.467 -2.394) 3.660 7.890 ( 2.545 0.911 0.899) 2.849 8.025 ( 0.464 -8.814 4.651) 9.976 8.141 ( 1.513 0.370 -4.703) 4.954 8.165 ( 3.804 -1.334 -5.738) 7.012 8.391 ( -3.651 5.939 -1.543) 7.140 8.500 ( -2.144 -4.118 -1.217) 4.800 9.176 ( -0.243 1.090 -2.114) 2.390 9.192 ( 0.364 -0.492 -3.302) 3.358 11.561 ( -0.955 0.877 1.201) 1.768 11.583 ( -1.471 -1.203 1.145) 2.218 11.777 ( 1.845 5.844 -6.401) 8.862 11.923 ( 1.663 -8.180 -7.001) 10.895 12.458 ( 0.928 5.722 6.784) 8.924 12.581 ( 1.201 -5.797 3.693) 6.977 13.014 ( 1.575 9.473 -8.529) 12.844 13.239 ( 0.536 -11.896 -10.495) 15.872 13.958 ( -0.447 7.591 12.176) 14.355 14.075 ( 0.335 -3.511 12.478) 12.966 15.152 ( -0.451 11.686 -2.867) 12.041 15.369 ( -1.952 -9.136 -3.007) 9.814 ======================= Grid point 91 (41/88) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.948 ( -13.460 0.000 20.284) 24.344 1.075 ( -4.531 0.000 22.043) 22.504 1.741 ( 3.834 0.000 10.961) 11.612 1.863 ( 7.261 0.000 -6.289) 9.606 1.991 ( -8.447 0.000 23.116) 24.611 2.419 ( -2.451 0.000 -3.059) 3.920 2.515 ( 7.620 0.000 -1.622) 7.791 2.699 ( -0.920 0.000 7.028) 7.088 2.818 ( 8.067 0.000 -1.264) 8.165 2.870 ( -2.967 0.000 0.022) 2.967 2.952 ( 9.686 0.000 3.860) 10.427 3.098 ( -5.687 0.000 -1.625) 5.915 3.254 ( -0.290 0.000 -7.806) 7.811 3.362 ( 0.686 0.000 -7.263) 7.295 3.502 ( -5.496 0.000 5.487) 7.766 3.607 ( -12.861 0.000 -4.661) 13.680 3.814 ( -5.269 0.000 4.579) 6.981 3.815 ( 12.870 0.000 2.067) 13.035 4.255 ( -0.098 0.000 -0.296) 0.312 4.334 ( 1.329 0.000 -14.467) 14.528 4.395 ( -1.247 0.000 -4.039) 4.228 4.608 ( 3.579 0.000 -5.607) 6.652 5.307 ( -0.912 0.000 5.367) 5.444 5.329 ( 8.480 0.000 0.419) 8.490 5.353 ( -4.800 0.000 -0.044) 4.800 5.527 ( 6.814 0.000 5.328) 8.650 5.665 ( 2.403 0.000 -1.876) 3.049 6.022 ( -0.336 0.000 5.120) 5.131 6.031 ( 2.488 0.000 -5.789) 6.301 6.130 ( -9.349 0.000 7.064) 11.717 6.288 ( 6.802 0.000 2.054) 7.105 6.403 ( 1.751 0.000 -7.336) 7.543 6.511 ( -11.034 0.000 4.054) 11.755 6.662 ( 1.702 0.000 1.186) 2.075 6.893 ( -4.298 0.000 -1.487) 4.548 6.912 ( -1.769 0.000 -2.818) 3.327 6.964 ( 9.594 0.000 0.729) 9.621 6.995 ( -1.869 0.000 -3.306) 3.798 7.213 ( -2.295 0.000 10.779) 11.021 7.704 ( -0.403 0.000 -0.250) 0.474 7.895 ( -0.739 0.000 -1.241) 1.445 8.021 ( 4.715 0.000 -6.823) 8.293 8.130 ( -0.812 0.000 -4.349) 4.424 8.167 ( 1.706 0.000 -3.006) 3.456 8.529 ( 4.758 0.000 6.700) 8.218 8.707 ( -17.428 0.000 3.726) 17.822 8.921 ( 4.623 0.000 -2.214) 5.126 8.972 ( -4.190 0.000 -4.758) 6.340 11.582 ( -0.870 0.000 2.601) 2.743 11.644 ( -0.583 0.000 3.534) 3.582 11.664 ( -0.155 0.000 0.563) 0.584 12.051 ( -4.725 0.000 -9.190) 10.333 12.467 ( 4.077 0.000 -0.726) 4.141 12.719 ( -18.567 0.000 -3.219) 18.844 12.976 ( -3.672 0.000 6.604) 7.556 13.241 ( 20.297 0.000 -4.511) 20.792 13.955 ( -0.227 0.000 2.124) 2.136 14.135 ( 3.622 0.000 -3.425) 4.985 14.662 ( 0.404 0.000 15.488) 15.493 15.450 ( 0.539 0.000 -7.625) 7.644 ======================= Grid point 92 (42/88) ======================= q-point: ( 0.17 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.878 ( 2.129 0.000 16.260) 16.399 1.165 ( 6.056 0.000 18.614) 19.574 1.786 ( -2.053 0.000 -3.559) 4.109 1.979 ( 4.212 0.000 -3.546) 5.506 2.062 ( 4.835 0.000 34.284) 34.623 2.414 ( 4.234 0.000 -6.046) 7.381 2.532 ( -4.376 0.000 8.261) 9.348 2.725 ( -3.971 0.000 -4.263) 5.826 2.785 ( -14.942 0.000 1.813) 15.052 2.856 ( 7.611 0.000 1.027) 7.680 3.026 ( 3.776 0.000 -1.452) 4.045 3.087 ( 0.642 0.000 1.726) 1.841 3.296 ( 4.751 0.000 -3.360) 5.819 3.308 ( -11.467 0.000 -3.794) 12.078 3.411 ( 2.651 0.000 -4.137) 4.914 3.457 ( 2.770 0.000 -3.064) 4.131 3.758 ( -2.963 0.000 10.240) 10.660 4.029 ( 3.434 0.000 4.442) 5.614 4.262 ( 3.878 0.000 -3.560) 5.264 4.303 ( 0.908 0.000 -13.132) 13.163 4.316 ( -4.384 0.000 -5.620) 7.127 4.655 ( 2.691 0.000 -6.998) 7.498 5.208 ( -6.457 0.000 5.272) 8.336 5.217 ( -6.603 0.000 -2.925) 7.222 5.282 ( -7.134 0.000 5.187) 8.820 5.702 ( 0.966 0.000 -0.838) 1.279 5.777 ( -0.371 0.000 3.280) 3.301 6.042 ( 1.486 0.000 3.599) 3.894 6.088 ( 4.408 0.000 -4.214) 6.098 6.157 ( 15.522 0.000 -2.308) 15.693 6.363 ( -4.744 0.000 4.117) 6.281 6.396 ( 0.644 0.000 -6.480) 6.512 6.422 ( 4.101 0.000 1.123) 4.252 6.684 ( -0.981 0.000 4.170) 4.284 6.777 ( -6.591 0.000 -2.228) 6.958 6.814 ( -3.051 0.000 1.002) 3.212 7.065 ( 6.864 0.000 -4.433) 8.171 7.201 ( 8.412 0.000 3.948) 9.292 7.246 ( 6.462 0.000 3.410) 7.306 7.712 ( 1.412 0.000 -1.253) 1.888 7.864 ( -1.485 0.000 -1.072) 1.832 8.006 ( -6.358 0.000 -3.969) 7.495 8.090 ( -1.243 0.000 -5.733) 5.867 8.157 ( -1.788 0.000 0.926) 2.014 8.343 ( -13.949 0.000 7.269) 15.729 8.680 ( 5.202 0.000 6.154) 8.058 8.845 ( -4.475 0.000 -6.764) 8.110 9.035 ( 5.048 0.000 -0.146) 5.050 11.573 ( -0.960 0.000 3.184) 3.326 11.638 ( -1.148 0.000 3.432) 3.619 11.673 ( 0.744 0.000 0.539) 0.919 11.947 ( -2.531 0.000 -1.669) 3.032 12.458 ( -7.180 0.000 -2.435) 7.581 12.519 ( 0.270 0.000 0.747) 0.794 12.941 ( -1.161 0.000 4.793) 4.931 13.541 ( 11.651 0.000 -5.810) 13.019 13.973 ( 1.067 0.000 2.248) 2.488 14.134 ( -1.708 0.000 -7.439) 7.632 14.741 ( 1.252 0.000 12.932) 12.992 15.439 ( 1.070 0.000 -7.814) 7.887 ======================= Grid point 93 (43/88) ======================= q-point: ( 0.33 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( 14.495 0.000 9.566) 17.368 1.411 ( 11.660 0.000 12.075) 16.786 1.707 ( -4.089 0.000 -1.522) 4.363 2.007 ( -0.448 0.000 0.150) 0.472 2.193 ( -5.360 0.000 16.491) 17.340 2.440 ( -15.501 0.000 1.224) 15.549 2.486 ( 1.010 0.000 -10.115) 10.165 2.557 ( 5.083 0.000 18.324) 19.016 2.639 ( -0.583 0.000 -4.409) 4.447 3.008 ( -2.274 0.000 -2.980) 3.749 3.015 ( 1.509 0.000 0.906) 1.760 3.060 ( -2.578 0.000 -1.423) 2.945 3.082 ( -4.981 0.000 -0.001) 4.981 3.419 ( 5.723 0.000 8.321) 10.099 3.473 ( 2.345 0.000 -0.022) 2.345 3.593 ( 8.500 0.000 -3.119) 9.054 3.742 ( -0.682 0.000 5.974) 6.012 3.966 ( -7.057 0.000 3.809) 8.019 4.205 ( -3.768 0.000 -5.093) 6.335 4.280 ( 0.290 0.000 -11.343) 11.346 4.393 ( 7.461 0.000 -8.038) 10.966 4.666 ( 1.306 0.000 -8.898) 8.994 5.089 ( -6.612 0.000 3.514) 7.488 5.109 ( -2.065 0.000 -4.245) 4.720 5.192 ( -3.467 0.000 8.664) 9.332 5.687 ( -6.662 0.000 8.461) 10.769 5.700 ( -0.796 0.000 0.881) 1.187 6.090 ( 1.057 0.000 4.378) 4.503 6.160 ( 3.363 0.000 -3.554) 4.893 6.274 ( -1.544 0.000 2.964) 3.342 6.347 ( -2.752 0.000 -7.946) 8.409 6.468 ( -1.069 0.000 2.696) 2.900 6.541 ( 16.391 0.000 -7.922) 18.205 6.623 ( -4.303 0.000 1.111) 4.444 6.709 ( -0.265 0.000 1.367) 1.393 6.773 ( -1.416 0.000 2.141) 2.567 7.204 ( 7.141 0.000 -3.449) 7.931 7.287 ( 2.605 0.000 8.115) 8.523 7.508 ( 14.220 0.000 -6.828) 15.775 7.746 ( 2.207 0.000 -1.864) 2.889 7.757 ( -15.329 0.000 6.505) 16.652 7.841 ( -0.436 0.000 -1.657) 1.714 8.048 ( -0.586 0.000 -5.547) 5.578 8.080 ( -6.707 0.000 -2.023) 7.005 8.214 ( -1.717 0.000 2.577) 3.097 8.756 ( -1.264 0.000 -8.614) 8.706 8.804 ( 4.850 0.000 6.088) 7.784 9.120 ( 3.094 0.000 0.358) 3.115 11.568 ( -0.556 0.000 3.421) 3.466 11.624 ( -1.411 0.000 4.353) 4.577 11.691 ( 0.737 0.000 0.287) 0.791 11.949 ( 2.559 0.000 1.538) 2.986 12.361 ( -1.786 0.000 -5.369) 5.658 12.483 ( -3.099 0.000 -1.105) 3.290 12.963 ( 1.019 0.000 6.052) 6.138 13.711 ( 7.249 0.000 -4.132) 8.344 14.004 ( 1.009 0.000 1.783) 2.049 14.036 ( -4.835 0.000 -8.271) 9.580 14.774 ( -2.226 0.000 12.477) 12.674 15.442 ( 1.765 0.000 -7.488) 7.693 ======================= Grid point 94 (44/88) ======================= q-point: (-0.50 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( 4.793 0.000 8.181) 9.482 1.628 ( 1.364 0.000 6.274) 6.420 1.669 ( 4.236 0.000 3.765) 5.667 1.957 ( -3.707 0.000 7.587) 8.444 2.046 ( -9.088 0.000 4.275) 10.043 2.187 ( -6.086 0.000 -2.954) 6.765 2.440 ( -0.230 0.000 -11.959) 11.961 2.644 ( 3.691 0.000 -7.372) 8.244 2.711 ( -5.032 0.000 19.605) 20.241 2.950 ( -2.983 0.000 -2.485) 3.883 2.972 ( 5.351 0.000 9.334) 10.759 3.037 ( 0.789 0.000 -0.977) 1.255 3.070 ( -6.531 0.000 1.411) 6.681 3.491 ( -0.064 0.000 4.221) 4.222 3.504 ( -1.914 0.000 9.080) 9.280 3.654 ( -0.442 0.000 8.688) 8.699 3.876 ( 11.689 0.000 -7.680) 13.987 3.898 ( 1.358 0.000 -1.079) 1.735 4.157 ( 0.706 0.000 -3.581) 3.650 4.216 ( -2.879 0.000 -9.505) 9.932 4.436 ( -0.587 0.000 -9.354) 9.373 4.660 ( 1.288 0.000 -10.247) 10.328 4.968 ( -5.815 0.000 0.775) 5.867 5.116 ( 3.898 0.000 -3.865) 5.490 5.213 ( 1.802 0.000 12.475) 12.605 5.599 ( -4.749 0.000 7.464) 8.847 5.689 ( -0.717 0.000 2.850) 2.939 6.101 ( -1.489 0.000 4.969) 5.187 6.177 ( -1.160 0.000 -1.684) 2.045 6.239 ( -4.581 0.000 -7.973) 9.196 6.277 ( 0.443 0.000 3.807) 3.832 6.419 ( -2.672 0.000 -0.172) 2.677 6.577 ( -0.613 0.000 0.570) 0.837 6.718 ( 1.111 0.000 -0.393) 1.179 6.739 ( 2.530 0.000 0.183) 2.536 6.834 ( 8.572 0.000 -2.012) 8.805 7.296 ( 2.276 0.000 -2.739) 3.561 7.336 ( -4.107 0.000 6.051) 7.313 7.515 ( -6.983 0.000 5.038) 8.611 7.728 ( 7.332 0.000 -4.800) 8.763 7.777 ( 0.610 0.000 -0.649) 0.891 7.828 ( 0.349 0.000 -2.372) 2.398 7.922 ( -4.529 0.000 -5.073) 6.801 8.047 ( 2.441 0.000 -4.728) 5.321 8.224 ( 1.435 0.000 1.813) 2.312 8.739 ( 2.354 0.000 -9.073) 9.373 8.916 ( 4.092 0.000 5.256) 6.661 9.158 ( 0.560 0.000 -0.315) 0.643 11.572 ( -0.205 0.000 2.996) 3.003 11.615 ( -1.006 0.000 5.447) 5.539 11.701 ( 0.058 0.000 0.082) 0.100 12.048 ( 6.358 0.000 1.359) 6.502 12.335 ( 1.088 0.000 -5.348) 5.458 12.413 ( -2.488 0.000 -3.540) 4.327 13.006 ( 0.512 0.000 8.238) 8.254 13.794 ( 1.039 0.000 -13.705) 13.744 13.913 ( -3.173 0.000 0.778) 3.267 14.017 ( -0.392 0.000 1.199) 1.261 14.746 ( -4.600 0.000 13.261) 14.036 15.456 ( 1.930 0.000 -6.982) 7.244 ======================= Grid point 95 (45/88) ======================= q-point: (-0.33 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( -9.754 0.000 16.744) 19.378 1.446 ( -15.975 0.000 11.390) 19.620 1.776 ( -3.174 0.000 -1.217) 3.399 1.905 ( -5.699 0.000 -4.401) 7.201 2.033 ( 10.709 0.000 4.763) 11.720 2.229 ( 10.117 0.000 -1.048) 10.171 2.487 ( 7.393 0.000 -3.524) 8.190 2.497 ( -17.271 0.000 17.062) 24.277 2.757 ( 4.548 0.000 2.140) 5.026 2.868 ( -8.970 0.000 -0.646) 8.993 2.870 ( -4.300 0.000 -3.315) 5.429 3.049 ( 0.804 0.000 0.059) 0.806 3.209 ( 11.710 0.000 8.148) 14.266 3.446 ( -4.048 0.000 2.704) 4.868 3.496 ( -1.350 0.000 1.230) 1.827 3.669 ( -2.511 0.000 9.233) 9.568 3.987 ( 5.115 0.000 -1.990) 5.488 4.016 ( 0.238 0.000 -6.238) 6.243 4.172 ( 0.827 0.000 -6.381) 6.434 4.176 ( 5.950 0.000 -8.400) 10.294 4.363 ( -1.607 0.000 -2.164) 2.695 4.634 ( -0.462 0.000 -10.920) 10.929 4.879 ( -2.249 0.000 1.558) 2.736 5.224 ( 7.073 0.000 -1.831) 7.306 5.320 ( 3.552 0.000 11.191) 11.741 5.538 ( -3.466 0.000 5.948) 6.884 5.687 ( -0.955 0.000 3.721) 3.841 6.074 ( -2.632 0.000 5.285) 5.904 6.113 ( -3.302 0.000 -7.196) 7.918 6.139 ( -2.052 0.000 -1.621) 2.615 6.297 ( -0.482 0.000 4.961) 4.984 6.388 ( 0.055 0.000 -3.023) 3.023 6.588 ( 1.487 0.000 -1.096) 1.847 6.724 ( 0.463 0.000 1.392) 1.467 6.800 ( 3.438 0.000 -1.139) 3.621 6.969 ( 4.263 0.000 -1.717) 4.596 7.126 ( -13.994 0.000 2.203) 14.166 7.267 ( -4.017 0.000 -2.341) 4.650 7.439 ( -8.478 0.000 7.214) 11.132 7.759 ( -1.673 0.000 0.711) 1.818 7.767 ( 4.554 0.000 -2.565) 5.226 7.855 ( 2.583 0.000 -3.068) 4.010 7.984 ( 8.475 0.000 -9.188) 12.500 8.099 ( 3.409 0.000 -3.441) 4.843 8.283 ( 3.560 0.000 3.368) 4.901 8.775 ( 3.698 0.000 -7.689) 8.532 8.994 ( 1.621 0.000 2.880) 3.305 9.141 ( -1.824 0.000 -1.584) 2.416 11.580 ( -0.004 0.000 2.515) 2.515 11.622 ( -0.284 0.000 5.561) 5.568 11.693 ( -0.776 0.000 0.141) 0.788 12.169 ( 4.229 0.000 -7.878) 8.942 12.372 ( 0.109 0.000 -4.467) 4.468 12.419 ( 10.077 0.000 3.445) 10.650 13.032 ( -1.091 0.000 9.433) 9.496 13.601 ( -11.747 0.000 -19.806) 23.027 13.954 ( 2.969 0.000 5.610) 6.347 13.998 ( -1.615 0.000 1.033) 1.917 14.690 ( -5.138 0.000 14.016) 14.928 15.467 ( 1.387 0.000 -6.799) 6.939 ======================= Grid point 96 (46/88) ======================= q-point: (-0.17 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( -13.596 0.000 20.802) 24.851 1.191 ( -12.978 0.000 18.506) 22.603 1.693 ( -2.708 0.000 5.444) 6.080 1.803 ( -0.113 0.000 -7.814) 7.815 2.182 ( -17.414 0.000 21.760) 27.870 2.303 ( 12.064 0.000 1.745) 12.189 2.420 ( 6.039 0.000 -1.301) 6.178 2.671 ( 9.382 0.000 -2.028) 9.598 2.732 ( -3.273 0.000 1.386) 3.555 2.784 ( 0.104 0.000 0.478) 0.489 2.866 ( 2.703 0.000 2.249) 3.517 3.089 ( 3.238 0.000 -1.590) 3.607 3.363 ( -4.790 0.000 -3.161) 5.739 3.401 ( -0.045 0.000 -3.324) 3.324 3.525 ( 10.421 0.000 3.547) 11.008 3.603 ( -6.357 0.000 8.715) 10.787 3.898 ( -10.670 0.000 -7.304) 12.931 3.924 ( -5.582 0.000 -0.814) 5.641 4.223 ( 4.207 0.000 -2.111) 4.706 4.304 ( 6.877 0.000 -12.176) 13.984 4.388 ( 2.244 0.000 -0.130) 2.247 4.587 ( 0.138 0.000 -8.201) 8.202 4.961 ( 11.176 0.000 5.639) 12.518 5.354 ( 4.599 0.000 0.433) 4.619 5.376 ( -2.109 0.000 7.432) 7.726 5.512 ( -1.106 0.000 6.287) 6.384 5.662 ( -1.836 0.000 0.815) 2.009 6.036 ( -0.843 0.000 -8.138) 8.182 6.037 ( -2.510 0.000 5.159) 5.737 6.162 ( 4.188 0.000 0.634) 4.236 6.266 ( -4.986 0.000 5.897) 7.722 6.390 ( 1.355 0.000 -4.935) 5.117 6.622 ( 2.110 0.000 -1.372) 2.517 6.735 ( -4.884 0.000 2.311) 5.403 6.860 ( -6.148 0.000 -0.293) 6.155 6.868 ( 3.750 0.000 -2.346) 4.423 6.988 ( -2.175 0.000 -2.646) 3.426 7.137 ( -7.388 0.000 -2.178) 7.702 7.274 ( -8.005 0.000 10.371) 13.100 7.726 ( -1.593 0.000 0.434) 1.651 7.892 ( 1.635 0.000 -2.365) 2.875 7.903 ( 8.118 0.000 -4.681) 9.371 8.107 ( 5.814 0.000 -6.847) 8.982 8.140 ( 1.295 0.000 -2.924) 3.198 8.393 ( 5.543 0.000 5.590) 7.873 8.834 ( 4.437 0.000 -5.073) 6.739 8.962 ( -6.510 0.000 0.035) 6.511 9.075 ( -3.801 0.000 -3.149) 4.936 11.586 ( -0.270 0.000 2.283) 2.299 11.637 ( -0.114 0.000 4.650) 4.651 11.675 ( -0.942 0.000 0.371) 1.013 12.154 ( -1.258 0.000 -12.499) 12.562 12.393 ( 3.222 0.000 -3.314) 4.622 12.777 ( 22.148 0.000 2.398) 22.278 13.022 ( -3.018 0.000 8.862) 9.361 13.197 ( -21.574 0.000 -13.506) 25.453 13.968 ( -1.507 0.000 1.492) 2.121 14.043 ( 4.333 0.000 3.094) 5.325 14.646 ( -3.710 0.000 15.006) 15.458 15.464 ( 0.692 0.000 -7.115) 7.149 ======================= Grid point 97 (47/88) ======================= q-point: ( 0.00 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( -4.126 6.909 18.964) 20.601 1.135 ( -7.140 10.184 19.689) 23.289 1.874 ( 5.896 7.766 -5.318) 11.106 1.934 ( 2.494 7.955 -0.337) 8.344 2.197 ( -7.468 16.909 23.347) 29.779 2.423 ( -2.822 1.636 -1.152) 3.460 2.498 ( 6.325 -1.127 -2.972) 7.078 2.637 ( 1.095 -5.788 7.144) 9.260 2.776 ( 5.940 -2.438 0.254) 6.426 2.833 ( 1.547 -3.309 -0.016) 3.653 2.954 ( 7.173 -0.216 4.677) 8.566 3.027 ( -7.675 -5.536 0.091) 9.463 3.220 ( 1.160 -2.990 -5.664) 6.508 3.383 ( -4.242 -0.122 -9.642) 10.534 3.464 ( -5.985 -3.692 3.676) 7.936 3.610 ( -3.377 -2.593 -3.752) 5.675 3.640 ( -1.261 -2.607 -1.526) 3.273 3.997 ( 4.853 5.808 2.905) 8.107 4.228 ( 0.377 -0.010 0.852) 0.932 4.331 ( 2.094 -0.606 -6.135) 6.511 4.383 ( -1.235 -0.045 -5.231) 5.375 4.721 ( 0.958 7.317 -7.105) 10.244 5.164 ( 11.036 -10.027 4.247) 15.504 5.310 ( -7.283 -0.784 5.039) 8.891 5.352 ( -1.284 -0.674 -0.395) 1.503 5.422 ( -0.673 -7.699 7.351) 10.666 5.635 ( 3.921 -3.346 -0.927) 5.237 5.964 ( -2.189 -2.716 -1.109) 3.660 6.054 ( -2.978 -1.233 4.723) 5.718 6.121 ( -1.351 0.681 1.819) 2.366 6.339 ( 8.666 3.162 -0.563) 9.242 6.389 ( 0.956 0.081 -4.217) 4.325 6.577 ( -2.046 1.549 1.789) 3.128 6.694 ( -1.383 -4.141 -1.226) 4.535 6.787 ( -5.835 0.382 -0.187) 5.851 6.938 ( 3.833 1.304 -3.547) 5.383 7.001 ( 1.209 1.312 0.373) 1.823 7.127 ( -3.149 11.311 1.017) 11.785 7.284 ( 0.667 6.425 5.036) 8.191 7.699 ( 0.013 -0.453 0.136) 0.473 7.883 ( -1.385 -0.649 -1.385) 2.064 8.010 ( 3.843 -0.176 -7.582) 8.502 8.120 ( 2.138 -0.593 -3.512) 4.154 8.202 ( -0.126 0.912 -3.457) 3.577 8.501 ( 5.334 -2.488 6.617) 8.856 8.603 ( -12.453 -5.687 6.546) 15.175 8.962 ( -2.464 1.437 -5.137) 5.876 9.020 ( -0.387 3.586 -5.214) 6.340 11.572 ( -0.929 -0.888 2.614) 2.912 11.635 ( -0.217 -0.403 1.441) 1.511 11.654 ( -0.001 -1.025 1.268) 1.631 12.002 ( -2.589 -4.271 -8.976) 10.272 12.479 ( -2.368 0.472 2.097) 3.198 12.635 ( -5.832 -2.422 -0.089) 6.316 13.070 ( -2.378 2.167 0.757) 3.305 13.193 ( 14.139 -3.252 -6.806) 16.026 13.907 ( -2.022 0.718 8.137) 8.415 14.257 ( 0.926 6.435 -1.838) 6.756 14.741 ( 1.850 7.059 10.027) 12.401 15.437 ( 0.015 -1.521 -7.351) 7.506 ======================= Grid point 98 (48/88) ======================= q-point: ( 0.17 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( -0.351 13.915 13.989) 19.734 1.217 ( 6.927 5.539 17.961) 20.032 1.897 ( -2.439 9.194 -4.350) 10.459 2.009 ( 3.763 3.032 -3.779) 6.135 2.246 ( 3.686 11.739 21.843) 25.070 2.421 ( 3.009 4.041 1.297) 5.203 2.509 ( -5.173 -1.814 6.510) 8.510 2.673 ( -4.196 -5.035 -1.541) 6.733 2.784 ( -6.968 -0.113 -0.781) 7.012 2.840 ( 4.185 -1.015 -0.514) 4.337 2.929 ( 2.299 -6.253 1.483) 6.825 3.091 ( -0.165 -0.086 0.791) 0.813 3.228 ( 1.839 -4.587 -5.748) 7.580 3.315 ( 1.694 -3.313 -0.398) 3.742 3.353 ( -4.318 -1.471 -1.907) 4.944 3.550 ( 2.761 5.444 -6.125) 8.647 3.624 ( -2.461 -8.335 7.586) 11.536 4.169 ( 3.531 7.620 5.218) 9.888 4.209 ( 2.501 -2.505 -4.573) 5.783 4.310 ( -2.317 -0.297 -3.430) 4.150 4.339 ( -0.058 2.080 -9.166) 9.399 4.699 ( -0.591 3.016 -6.780) 7.444 5.172 ( -6.465 -0.518 2.673) 7.015 5.244 ( -3.727 -3.650 4.631) 6.976 5.263 ( -4.331 2.182 -0.807) 4.916 5.501 ( 1.313 -14.646 7.338) 16.434 5.717 ( 2.171 -4.546 0.161) 5.041 5.943 ( 1.729 -5.694 -0.575) 5.979 6.089 ( 6.651 -3.376 3.266) 8.143 6.148 ( 2.624 1.880 -1.472) 3.548 6.375 ( -1.039 0.757 -3.543) 3.769 6.464 ( 0.094 5.473 -1.137) 5.591 6.535 ( 1.182 2.898 1.192) 3.349 6.646 ( -3.949 -6.590 -0.550) 7.702 6.702 ( -1.370 0.947 0.742) 1.824 6.961 ( -2.423 8.566 1.922) 9.107 7.048 ( 5.012 1.714 -1.727) 5.572 7.188 ( 6.454 -1.290 1.941) 6.862 7.358 ( 6.069 8.015 -0.696) 10.078 7.707 ( 0.660 -1.131 -0.449) 1.384 7.808 ( -4.777 -2.371 -0.800) 5.393 8.035 ( 1.429 0.749 -7.622) 7.791 8.137 ( 0.294 1.491 -4.962) 5.190 8.173 ( -3.002 2.492 -0.403) 3.923 8.328 ( -13.311 -0.048 9.147) 16.151 8.637 ( 5.110 -3.184 6.389) 8.779 8.870 ( -3.438 2.010 -6.947) 8.007 9.057 ( 3.747 1.385 -1.965) 4.451 11.562 ( -0.900 -0.849 2.999) 3.244 11.633 ( -0.330 -0.069 1.248) 1.293 11.667 ( 0.676 -0.713 1.235) 1.578 11.933 ( -1.299 -1.763 -3.713) 4.311 12.368 ( -5.917 -2.791 2.033) 6.851 12.610 ( 0.288 3.726 -1.356) 3.976 12.995 ( -2.693 3.729 -0.123) 4.602 13.473 ( 12.836 -7.095 -6.406) 16.005 13.895 ( -1.618 -1.844 6.016) 6.497 14.229 ( -2.846 5.311 -0.747) 6.072 14.815 ( 1.318 6.486 8.225) 10.558 15.425 ( 1.404 -1.469 -7.497) 7.768 ======================= Grid point 99 (49/88) ======================= q-point: ( 0.33 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( 9.557 6.881 10.255) 15.616 1.463 ( 10.620 4.629 11.534) 16.347 1.797 ( -5.312 7.009 -1.162) 8.871 2.035 ( -0.763 3.962 1.059) 4.172 2.321 ( -8.661 5.048 8.619) 13.220 2.350 ( -10.404 -1.939 5.276) 11.825 2.438 ( 1.539 -3.317 -8.769) 9.501 2.649 ( 5.395 5.968 13.840) 16.009 2.699 ( -1.858 5.199 -8.529) 10.160 2.885 ( -4.165 -6.638 -0.300) 7.842 2.983 ( 2.920 -3.243 2.161) 4.870 3.024 ( 1.304 -3.332 -2.635) 4.444 3.198 ( -4.339 6.805 0.037) 8.071 3.367 ( 5.842 -1.890 1.612) 6.349 3.451 ( 7.487 -4.140 5.887) 10.385 3.569 ( -3.464 -3.664 6.011) 7.846 3.671 ( 7.068 -2.061 -3.475) 8.141 4.057 ( -8.975 5.223 3.326) 10.904 4.227 ( -1.902 2.348 -2.770) 4.099 4.301 ( -1.099 1.065 -9.492) 9.614 4.375 ( 6.586 -1.615 -6.646) 9.494 4.672 ( 1.075 1.119 -7.001) 7.171 5.074 ( -4.352 -0.305 -0.091) 4.363 5.151 ( -3.502 2.869 -3.198) 5.543 5.199 ( -3.354 0.271 10.128) 10.672 5.510 ( -1.940 -11.828 8.096) 14.464 5.703 ( -2.393 -2.924 1.392) 4.026 6.005 ( 3.320 -6.096 0.425) 6.955 6.192 ( 1.429 0.783 -0.757) 1.797 6.257 ( 5.073 -3.519 1.139) 6.278 6.336 ( -1.314 -0.610 -5.078) 5.280 6.427 ( -0.955 3.117 0.878) 3.377 6.518 ( -3.210 -4.613 -0.124) 5.621 6.598 ( -0.735 -1.335 1.705) 2.287 6.730 ( 3.874 0.295 -0.762) 3.960 6.908 ( -2.983 9.435 2.493) 10.205 7.172 ( 6.739 0.534 -1.039) 6.840 7.298 ( 3.099 -1.993 2.753) 4.600 7.524 ( 10.299 1.940 -5.739) 11.948 7.658 ( -7.082 -5.211 2.356) 9.103 7.758 ( 1.537 0.296 -3.283) 3.637 7.993 ( -5.697 9.111 -2.150) 10.959 8.033 ( -4.587 -0.016 -0.857) 4.666 8.125 ( -0.941 3.571 -3.339) 4.978 8.225 ( -0.854 0.971 2.590) 2.894 8.732 ( 1.598 -2.528 1.271) 3.250 8.823 ( 2.288 2.240 -3.707) 4.898 9.124 ( 2.887 0.045 -0.783) 2.991 11.559 ( -0.443 -0.774 3.231) 3.351 11.627 ( -0.897 0.515 2.121) 2.359 11.685 ( 0.661 -0.635 0.891) 1.279 11.937 ( 2.492 -1.849 -1.218) 3.333 12.289 ( -2.113 -2.223 -0.709) 3.148 12.584 ( -1.918 5.182 -3.103) 6.337 12.966 ( -0.921 0.356 2.656) 2.834 13.664 ( 8.292 -7.106 -9.101) 14.215 13.874 ( -2.270 -2.995 4.565) 5.912 14.163 ( -3.140 5.930 2.014) 7.005 14.834 ( -2.283 5.638 9.201) 11.030 15.440 ( 2.483 -0.498 -7.716) 8.120 ======================= Grid point 100 (50/88) ======================= q-point: (-0.50 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( 5.736 2.440 8.222) 10.318 1.570 ( -4.808 -2.923 7.954) 9.743 1.785 ( 4.291 8.706 2.179) 9.948 1.965 ( -5.142 3.184 9.936) 11.632 2.154 ( -4.325 2.405 -3.179) 5.882 2.195 ( -5.584 4.996 1.822) 7.712 2.431 ( 0.663 -0.207 -10.265) 10.288 2.659 ( 1.573 1.430 -7.623) 7.914 2.710 ( -4.256 -2.733 7.689) 9.203 2.870 ( 0.404 -7.788 0.034) 7.799 2.971 ( 0.996 3.870 5.242) 6.591 3.091 ( -1.656 3.920 4.131) 5.930 3.178 ( 0.562 7.445 4.501) 8.718 3.449 ( 1.027 -0.708 2.166) 2.499 3.493 ( -4.025 -3.668 7.737) 9.461 3.621 ( 5.091 -2.522 5.323) 7.785 3.794 ( 5.595 -1.993 -2.639) 6.499 3.931 ( -1.407 -0.160 -1.480) 2.048 4.210 ( -2.410 0.233 -5.161) 5.701 4.233 ( 1.776 4.255 -5.458) 7.145 4.414 ( -0.200 -2.089 -7.250) 7.548 4.698 ( 3.229 3.836 -8.579) 9.937 4.964 ( -5.786 -0.201 -0.541) 5.814 5.120 ( 1.540 0.562 -3.006) 3.424 5.216 ( 0.992 -0.473 12.524) 12.572 5.498 ( -1.817 -8.154 7.181) 11.016 5.669 ( -0.941 -1.829 1.735) 2.691 6.055 ( 0.813 -4.274 1.794) 4.705 6.175 ( -3.352 -0.575 1.604) 3.760 6.252 ( -4.281 0.645 -7.096) 8.313 6.303 ( 0.838 1.712 3.085) 3.627 6.388 ( -2.367 -1.918 -1.037) 3.218 6.524 ( 1.191 -3.941 2.433) 4.782 6.613 ( 2.268 -3.857 -0.350) 4.488 6.810 ( 1.147 0.581 2.220) 2.565 6.893 ( 3.403 4.721 -1.041) 5.912 7.251 ( -0.395 -1.820 -1.894) 2.656 7.358 ( 1.307 0.582 3.193) 3.499 7.516 ( -4.545 -1.944 2.577) 5.574 7.693 ( 7.061 -1.386 -5.724) 9.194 7.779 ( -1.379 -0.368 -5.054) 5.252 7.838 ( -5.969 3.559 4.749) 8.417 7.982 ( 0.652 3.748 -6.768) 7.764 8.128 ( 2.289 6.556 -3.529) 7.790 8.241 ( 1.335 1.271 1.572) 2.422 8.739 ( 1.140 -0.643 -5.226) 5.387 8.910 ( 4.788 0.132 1.830) 5.128 9.159 ( 0.714 -0.179 -1.339) 1.528 11.565 ( -0.060 -0.699 3.065) 3.144 11.615 ( -0.994 0.385 3.169) 3.344 11.695 ( -0.050 -0.551 0.532) 0.767 12.012 ( 4.946 -4.160 -2.870) 7.072 12.279 ( 1.502 -0.492 0.562) 1.677 12.528 ( -1.656 6.426 -5.642) 8.710 12.963 ( -1.008 -3.492 5.863) 6.898 13.695 ( -1.645 -10.850 -17.429) 20.597 13.875 ( 0.767 1.869 9.328) 9.544 14.132 ( -0.770 6.819 3.505) 7.706 14.797 ( -4.430 5.216 10.623) 12.636 15.464 ( 2.307 0.197 -7.583) 7.929 ======================= Grid point 101 (51/88) ======================= q-point: (-0.33 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( -12.578 -1.615 13.116) 18.244 1.469 ( -11.353 4.698 14.992) 19.384 1.841 ( -0.293 4.593 -4.324) 6.315 2.008 ( -0.697 7.667 -1.585) 7.860 2.058 ( 5.247 3.319 1.555) 6.400 2.245 ( 7.542 1.636 0.762) 7.755 2.475 ( 5.890 -0.503 -1.958) 6.227 2.598 ( -7.079 4.564 6.113) 10.407 2.713 ( 1.891 -3.836 1.116) 4.420 2.817 ( -3.447 -5.111 -0.247) 6.170 2.920 ( -13.323 8.263 7.062) 17.194 3.048 ( 2.803 -1.170 -0.873) 3.161 3.235 ( 3.877 2.254 5.991) 7.483 3.441 ( -1.709 -1.138 2.418) 3.172 3.487 ( 0.927 0.291 -0.586) 1.134 3.675 ( -1.819 0.518 5.478) 5.795 3.865 ( 1.133 -8.639 -6.413) 10.819 3.988 ( 5.495 -0.163 2.053) 5.868 4.140 ( -0.745 -2.234 -6.081) 6.522 4.273 ( 0.443 3.801 -7.437) 8.363 4.377 ( 1.006 1.415 -1.438) 2.254 4.716 ( 1.547 6.953 -9.379) 11.777 4.873 ( -2.283 -0.428 1.260) 2.642 5.185 ( 4.587 -3.402 2.001) 6.051 5.306 ( 3.673 -1.545 8.673) 9.545 5.482 ( -1.916 -4.819 5.653) 7.671 5.666 ( -1.009 -1.685 2.045) 2.835 6.049 ( -1.237 -3.483 0.542) 3.735 6.098 ( -4.105 -0.593 2.022) 4.614 6.152 ( -2.051 1.318 -4.989) 5.553 6.331 ( -0.807 2.329 4.934) 5.516 6.353 ( -0.021 -2.024 -3.233) 3.815 6.546 ( 0.736 -3.316 1.106) 3.572 6.656 ( 1.743 -4.549 -0.621) 4.911 6.818 ( 0.705 0.820 2.027) 2.298 6.988 ( 3.903 0.423 -1.266) 4.125 7.153 ( -7.840 -0.632 -0.978) 7.926 7.298 ( -4.483 4.748 0.221) 6.534 7.524 ( -8.452 7.514 5.465) 12.560 7.613 ( 1.831 -5.732 -0.785) 6.068 7.799 ( 3.903 -2.585 -4.050) 6.190 7.877 ( 3.835 1.894 -3.009) 5.229 8.000 ( 3.597 1.771 -7.164) 8.210 8.180 ( 3.177 6.061 -2.693) 7.354 8.288 ( 2.788 0.243 2.554) 3.788 8.745 ( 0.604 -2.947 -3.301) 4.466 9.002 ( 3.538 0.898 -0.610) 3.701 9.142 ( -1.681 -0.098 -2.561) 3.065 11.575 ( -0.077 -0.631 2.639) 2.715 11.614 ( -0.230 -0.256 3.460) 3.477 11.686 ( -0.969 -0.657 0.510) 1.277 12.080 ( 2.959 -7.088 -9.017) 11.846 12.378 ( 6.740 1.535 4.666) 8.340 12.503 ( 2.580 5.780 -4.848) 7.973 12.953 ( -2.641 -6.214 7.240) 9.900 13.528 ( -8.015 -7.505 -17.478) 20.641 13.917 ( -0.488 2.304 9.295) 9.589 14.153 ( 1.825 8.041 1.888) 8.459 14.740 ( -4.526 5.230 11.533) 13.448 15.476 ( 1.280 0.106 -7.508) 7.617 ======================= Grid point 102 (52/88) ======================= q-point: (-0.17 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.128 ( -10.269 -0.578 19.345) 21.909 1.280 ( -11.837 9.455 18.016) 23.540 1.805 ( 1.460 5.775 -6.672) 8.944 1.932 ( -2.057 11.859 -1.433) 12.121 2.298 ( 9.773 0.987 1.404) 9.923 2.331 ( -5.061 7.386 11.981) 14.957 2.486 ( -2.457 9.316 7.604) 12.273 2.587 ( 2.583 -5.809 -0.407) 6.371 2.710 ( 0.737 -4.837 0.386) 4.908 2.761 ( -0.388 0.595 1.215) 1.408 2.833 ( 3.385 -2.204 3.472) 5.326 3.078 ( 0.765 -2.325 -1.217) 2.733 3.290 ( -2.749 -5.196 -0.054) 5.879 3.443 ( 1.098 1.902 -4.698) 5.186 3.511 ( 4.372 -1.466 -2.242) 5.128 3.599 ( -6.303 0.793 5.616) 8.480 3.785 ( -6.016 -7.202 -5.686) 10.972 4.014 ( -4.280 4.300 -0.869) 6.129 4.170 ( 4.762 -2.674 0.248) 5.467 4.284 ( 3.681 -0.368 -5.724) 6.815 4.405 ( 0.840 0.786 -3.370) 3.561 4.716 ( 1.657 8.958 -7.998) 12.122 4.924 ( 7.159 -2.723 5.100) 9.202 5.292 ( 4.195 -5.561 4.225) 8.147 5.383 ( -0.634 -0.106 6.843) 6.873 5.462 ( -1.644 -3.572 4.190) 5.746 5.617 ( -2.735 -3.937 -0.490) 4.819 6.020 ( -2.903 -1.140 -2.049) 3.731 6.054 ( 1.034 0.260 0.224) 1.089 6.161 ( 2.554 0.826 1.311) 2.988 6.260 ( -5.081 -1.302 3.137) 6.112 6.374 ( 1.436 0.375 -1.905) 2.415 6.570 ( 1.350 -2.895 0.223) 3.202 6.691 ( 1.919 -4.837 -0.984) 5.296 6.853 ( 1.436 -0.245 1.074) 1.810 6.970 ( -7.952 2.415 -1.974) 8.542 7.012 ( -1.030 1.761 -1.761) 2.695 7.222 ( -3.156 10.773 -3.819) 11.857 7.324 ( -8.830 4.491 9.977) 14.060 7.689 ( 1.930 -2.216 -0.237) 2.948 7.865 ( 3.513 -2.009 -3.297) 5.220 7.940 ( 4.275 2.598 -4.788) 6.924 8.069 ( 4.464 -1.328 -5.789) 7.430 8.213 ( 0.672 3.722 -2.576) 4.576 8.376 ( 4.559 -1.502 4.899) 6.858 8.731 ( -2.287 -6.748 1.464) 7.274 9.021 ( -1.071 2.817 -5.581) 6.343 9.082 ( -2.775 0.576 -3.290) 4.342 11.578 ( -0.451 -0.782 2.421) 2.583 11.626 ( 0.248 -0.570 2.745) 2.814 11.664 ( -1.160 -0.924 0.745) 1.660 12.070 ( -0.270 -6.671 -11.330) 13.150 12.458 ( 2.299 4.851 -2.548) 5.942 12.695 ( 9.758 -5.605 3.840) 11.890 12.906 ( -0.884 -5.108 4.988) 7.194 13.282 ( -9.574 0.845 -12.636) 15.876 13.920 ( -2.046 2.111 9.244) 9.700 14.211 ( 3.241 8.305 -0.305) 8.920 14.707 ( -2.260 6.010 11.712) 13.357 15.464 ( 0.123 -0.649 -7.519) 7.548 ======================= Grid point 103 (53/88) ======================= q-point: ( 0.00 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( 1.453 14.274 13.520) 19.714 1.442 ( -5.638 16.565 12.526) 21.520 1.990 ( 4.598 3.309 -3.205) 6.509 2.115 ( 0.992 4.795 -3.829) 6.216 2.291 ( -2.639 -4.883 -2.252) 5.990 2.452 ( 5.456 -3.370 -5.358) 8.357 2.574 ( -1.697 4.405 6.050) 7.674 2.709 ( 2.833 2.187 6.719) 7.613 2.730 ( 2.117 5.114 2.785) 6.197 2.811 ( -3.605 8.438 11.959) 15.074 2.885 ( -0.588 -1.947 1.679) 2.638 2.961 ( 5.973 -1.617 2.646) 6.730 3.152 ( -1.502 -2.462 -4.239) 5.127 3.291 ( -4.846 -8.396 -3.098) 10.177 3.402 ( -6.920 -1.705 -6.264) 9.488 3.509 ( -2.180 -3.429 -3.126) 5.127 3.674 ( 0.213 1.201 -6.403) 6.519 4.026 ( 1.894 -2.671 4.427) 5.507 4.250 ( 2.302 1.435 -2.957) 4.012 4.368 ( -2.629 1.683 1.855) 3.631 4.400 ( 3.360 4.229 1.768) 5.683 4.792 ( -2.260 -1.484 -2.773) 3.873 5.001 ( 6.346 -5.383 4.059) 9.259 5.178 ( 0.343 -11.135 6.009) 12.657 5.355 ( -3.700 3.158 0.422) 4.883 5.390 ( -3.655 2.992 1.369) 4.918 5.548 ( 3.133 -3.733 -0.437) 4.893 5.904 ( -4.003 -3.328 -3.216) 6.119 6.015 ( -3.931 -1.942 6.099) 7.511 6.104 ( 0.372 -3.123 -0.006) 3.145 6.364 ( 4.382 -0.191 -2.937) 5.279 6.405 ( 5.036 -0.137 -1.970) 5.409 6.574 ( -0.615 -1.223 0.748) 1.560 6.628 ( 1.909 2.032 0.660) 2.865 6.769 ( -5.409 -3.389 0.486) 6.401 6.936 ( 6.810 -2.023 -3.722) 8.020 7.087 ( -1.857 6.474 4.018) 7.842 7.339 ( -5.823 6.991 7.740) 11.945 7.452 ( 1.360 8.455 -3.852) 9.390 7.692 ( -0.888 -0.082 -0.135) 0.902 7.885 ( 0.434 1.086 -2.200) 2.492 8.024 ( 0.744 1.126 -6.859) 6.991 8.106 ( 3.042 -0.634 -3.090) 4.382 8.174 ( -1.330 -2.659 -1.468) 3.316 8.442 ( 5.256 -2.647 6.632) 8.866 8.529 ( -6.069 -2.161 4.296) 7.744 8.990 ( -2.521 1.325 -6.576) 7.166 9.063 ( -0.117 0.412 -6.737) 6.751 11.558 ( -0.733 -0.148 1.374) 1.564 11.623 ( -0.371 -1.585 1.338) 2.107 11.642 ( 0.805 0.984 -0.734) 1.469 11.893 ( -0.126 -5.814 -8.085) 9.959 12.498 ( -6.415 2.246 5.272) 8.601 12.654 ( 0.826 2.521 -2.406) 3.582 13.000 ( 8.707 -5.672 1.084) 10.448 13.130 ( 1.621 -4.259 -10.072) 11.055 14.024 ( -4.319 9.084 11.791) 15.499 14.346 ( -1.428 2.100 5.452) 6.015 14.915 ( 2.797 8.818 1.487) 9.370 15.376 ( -0.191 -4.449 -6.344) 7.751 ======================= Grid point 104 (54/88) ======================= q-point: ( 0.17 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( -2.813 17.421 10.061) 20.314 1.405 ( 6.168 12.234 13.405) 19.167 2.023 ( -2.502 2.006 -1.499) 3.540 2.126 ( 1.961 3.878 -5.171) 6.755 2.274 ( 2.142 -3.593 -1.243) 4.364 2.448 ( -6.593 -3.050 -5.018) 8.829 2.551 ( -0.749 -1.310 7.486) 7.636 2.732 ( -2.099 9.529 6.814) 11.901 2.753 ( 1.362 -2.142 2.335) 3.449 2.851 ( 0.225 -0.122 -2.148) 2.163 2.901 ( 3.974 10.939 5.282) 12.781 3.059 ( -4.302 -3.149 -2.733) 5.991 3.138 ( 0.605 -3.270 -3.964) 5.175 3.221 ( 7.938 -3.084 4.120) 9.461 3.337 ( 1.121 -1.028 1.166) 1.917 3.475 ( -1.689 -6.325 -1.173) 6.651 3.631 ( -1.098 2.512 -4.161) 4.983 4.123 ( 5.733 -6.380 -1.211) 8.662 4.257 ( -0.859 2.450 -2.540) 3.633 4.322 ( -2.061 1.490 0.975) 2.724 4.435 ( -1.194 5.591 2.070) 6.080 4.730 ( -2.153 0.011 -1.367) 2.551 5.115 ( 1.455 -7.649 3.269) 8.445 5.179 ( -0.860 -7.293 2.272) 7.687 5.276 ( -4.781 1.094 6.598) 8.221 5.315 ( -3.062 2.603 -2.335) 4.648 5.607 ( 2.148 -4.860 0.104) 5.315 5.840 ( -0.393 -4.357 -1.703) 4.694 6.026 ( 3.599 -2.644 3.757) 5.835 6.127 ( 2.134 -3.861 -2.221) 4.939 6.379 ( -0.494 -0.038 -3.410) 3.446 6.479 ( -0.865 -4.380 -0.883) 4.551 6.562 ( 0.542 0.978 1.651) 1.994 6.637 ( -2.863 4.490 1.394) 5.505 6.698 ( -0.339 0.593 1.147) 1.335 7.077 ( 3.821 4.323 -0.246) 5.774 7.089 ( 3.441 -2.348 4.280) 5.973 7.248 ( -3.064 8.034 0.401) 8.608 7.495 ( 2.983 3.799 -2.352) 5.373 7.653 ( -3.205 -3.455 -0.377) 4.728 7.814 ( -3.953 2.763 -1.586) 5.077 8.030 ( 1.057 -1.188 -3.175) 3.551 8.148 ( 2.176 0.455 -4.379) 4.911 8.191 ( 2.158 -0.345 -2.623) 3.414 8.387 ( -8.205 4.256 4.632) 10.339 8.571 ( 4.699 -3.050 6.141) 8.312 8.918 ( -1.800 2.484 -7.462) 8.068 9.066 ( 2.297 -0.761 -4.591) 5.189 11.550 ( -0.532 -0.091 1.591) 1.680 11.631 ( 0.786 -1.162 0.980) 1.711 11.655 ( 0.540 0.722 -0.658) 1.116 11.865 ( 0.027 -4.433 -6.216) 7.635 12.385 ( -5.405 4.013 3.990) 7.825 12.656 ( -0.266 0.743 -1.067) 1.327 13.037 ( -1.055 -0.003 -5.106) 5.214 13.269 ( 10.218 -10.868 -5.697) 15.968 13.971 ( -4.399 8.004 11.564) 14.736 14.308 ( -3.916 1.888 6.564) 7.874 14.975 ( 1.924 8.147 1.244) 8.463 15.373 ( 2.083 -3.614 -6.575) 7.787 ======================= Grid point 105 (55/88) ======================= q-point: ( 0.33 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.403 ( 2.792 13.824 9.082) 16.774 1.593 ( 5.959 7.925 8.937) 13.349 1.922 ( -5.058 5.025 0.810) 7.175 2.147 ( 1.067 1.736 0.290) 2.059 2.230 ( -9.447 -3.714 0.572) 10.167 2.354 ( 1.782 -4.883 -5.304) 7.427 2.499 ( -4.932 6.821 3.773) 9.224 2.673 ( -3.804 -0.379 2.064) 4.345 2.742 ( -5.722 -2.918 -7.909) 10.188 2.857 ( -3.328 0.198 -3.440) 4.790 2.915 ( 4.994 -4.559 -2.973) 7.387 3.057 ( 6.429 11.163 7.898) 15.110 3.292 ( 7.606 -1.048 0.708) 7.710 3.336 ( 4.119 1.001 4.174) 5.949 3.414 ( -2.330 -1.236 3.473) 4.361 3.453 ( 5.478 -1.889 3.262) 6.650 3.665 ( 5.473 0.222 -0.797) 5.535 4.131 ( -6.037 1.414 -2.944) 6.864 4.236 ( -0.026 -3.542 -2.973) 4.625 4.312 ( 0.854 1.062 0.423) 1.427 4.369 ( -4.118 2.393 1.042) 4.876 4.729 ( 2.541 3.628 -1.489) 4.673 5.063 ( -4.328 -2.775 -1.197) 5.279 5.179 ( -2.547 0.095 7.738) 8.147 5.206 ( -3.439 -3.654 -0.523) 5.045 5.280 ( 0.243 -3.992 4.012) 5.665 5.628 ( 0.385 -2.980 -0.356) 3.026 5.874 ( 3.363 -6.381 -1.560) 7.379 6.142 ( 3.495 -4.092 -0.105) 5.382 6.183 ( 5.501 -3.734 0.299) 6.655 6.332 ( -2.781 0.093 -2.258) 3.584 6.414 ( -3.956 -3.557 -1.039) 5.420 6.546 ( -2.363 2.827 0.452) 3.713 6.583 ( -2.885 1.944 4.257) 5.497 6.729 ( 2.331 1.150 2.445) 3.568 7.047 ( -5.681 3.396 8.608) 10.859 7.210 ( 3.496 -4.014 -2.320) 5.807 7.263 ( 5.818 5.945 -3.200) 8.913 7.547 ( -0.723 -2.741 -7.805) 8.303 7.565 ( -0.472 -1.666 4.416) 4.744 7.780 ( 1.007 2.572 -4.095) 4.940 8.017 ( -1.041 -1.403 -2.305) 2.892 8.132 ( -3.936 3.760 -1.615) 5.678 8.223 ( 2.114 2.179 -3.573) 4.689 8.286 ( -1.984 7.417 2.944) 8.222 8.663 ( 2.204 -3.890 4.661) 6.459 8.889 ( 1.940 3.755 -7.375) 8.500 9.108 ( 2.708 -1.747 -3.014) 4.413 11.549 ( -0.041 0.152 1.492) 1.500 11.649 ( -0.062 1.440 -0.243) 1.461 11.662 ( 0.721 -1.510 1.168) 2.040 11.859 ( 1.490 -5.064 -5.455) 7.591 12.321 ( -1.891 4.791 3.147) 6.036 12.639 ( -0.798 -0.018 -1.251) 1.484 12.979 ( -2.960 1.000 -3.582) 4.753 13.410 ( 5.399 -14.263 -9.378) 17.903 13.944 ( -1.876 7.527 12.324) 14.562 14.254 ( -3.270 2.376 8.161) 9.107 14.989 ( -1.042 8.578 2.340) 8.952 15.406 ( 3.146 -3.000 -7.292) 8.490 ======================= Grid point 106 (56/88) ======================= q-point: (-0.50 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.536 ( 3.837 9.141 6.960) 12.113 1.583 ( -6.534 5.362 7.569) 11.346 1.932 ( 3.775 4.917 1.598) 6.402 2.066 ( -5.819 2.387 3.070) 6.999 2.183 ( 2.444 3.123 2.590) 4.736 2.281 ( -6.068 -0.377 -2.742) 6.669 2.460 ( 0.447 1.805 -4.526) 4.893 2.587 ( -3.813 -7.750 1.038) 8.699 2.680 ( 1.327 0.475 -1.752) 2.248 2.751 ( -3.458 0.635 -5.425) 6.465 2.973 ( 0.214 -4.983 -1.933) 5.349 3.223 ( 3.843 6.881 6.876) 10.459 3.296 ( -1.829 1.122 4.840) 5.294 3.433 ( 1.405 4.280 6.447) 7.864 3.522 ( 7.570 -8.052 -2.825) 11.407 3.538 ( 3.395 6.570 -1.573) 7.561 3.765 ( 0.382 0.646 3.234) 3.320 3.988 ( -3.487 4.671 2.005) 6.164 4.155 ( -5.037 -4.342 -4.982) 8.309 4.323 ( 0.409 0.979 -2.590) 2.798 4.357 ( 1.609 -0.390 1.431) 2.189 4.796 ( 3.788 3.981 -2.138) 5.897 4.964 ( -5.066 -0.954 -0.928) 5.238 5.112 ( -3.968 -2.755 4.199) 6.401 5.195 ( 1.765 0.590 2.584) 3.184 5.325 ( 2.004 -6.409 4.840) 8.278 5.639 ( 0.831 -0.789 -0.659) 1.322 5.928 ( 1.825 -7.776 -1.897) 8.209 6.146 ( -2.050 -1.273 1.964) 3.111 6.248 ( -3.174 -0.163 -2.533) 4.064 6.315 ( 3.589 -2.054 1.696) 4.469 6.341 ( -2.226 -3.209 -1.540) 4.198 6.502 ( -1.674 2.718 1.953) 3.743 6.564 ( 0.009 -1.212 2.338) 2.633 6.797 ( 2.580 -0.885 3.196) 4.202 6.949 ( -4.843 -0.364 4.995) 6.966 7.218 ( -1.109 -0.020 -1.270) 1.687 7.409 ( 7.624 3.802 -2.921) 9.006 7.438 ( -4.749 -4.533 1.458) 6.725 7.660 ( 6.456 -1.601 -5.334) 8.525 7.800 ( 2.392 2.300 -7.214) 7.941 7.956 ( -7.786 5.519 6.828) 11.734 8.038 ( -0.733 2.262 -5.489) 5.982 8.251 ( 1.569 1.140 -2.525) 3.184 8.289 ( 0.872 6.610 0.037) 6.668 8.687 ( -0.685 -4.258 1.715) 4.641 8.945 ( 5.079 3.103 -4.906) 7.713 9.141 ( 1.292 -1.630 -3.274) 3.878 11.557 ( 0.276 0.325 1.127) 1.204 11.634 ( -1.034 1.283 0.776) 1.821 11.678 ( 0.061 -1.011 0.999) 1.423 11.885 ( 2.829 -7.107 -6.563) 10.079 12.334 ( 2.088 4.981 4.166) 6.821 12.621 ( -0.166 1.607 -3.165) 3.554 12.902 ( -3.736 -1.144 -0.069) 3.908 13.413 ( -0.947 -14.625 -12.456) 19.234 13.980 ( 0.709 7.329 12.777) 14.747 14.242 ( -0.802 3.128 8.596) 9.183 14.956 ( -2.904 9.408 3.138) 10.334 15.438 ( 2.229 -3.149 -7.517) 8.449 ======================= Grid point 107 (57/88) ======================= q-point: (-0.33 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.386 ( -9.941 9.110 8.599) 15.993 1.623 ( -4.207 9.720 11.794) 15.852 1.948 ( -0.606 5.139 -4.651) 6.958 2.088 ( 7.229 1.652 2.160) 7.723 2.158 ( -2.941 -0.047 -6.130) 6.799 2.295 ( 6.025 3.221 4.459) 8.158 2.477 ( -0.589 -0.140 5.161) 5.196 2.546 ( 1.126 -7.451 -0.171) 7.537 2.681 ( -0.098 2.647 -6.246) 6.784 2.738 ( 2.128 0.041 0.865) 2.298 2.959 ( -0.090 -6.986 -1.961) 7.257 3.180 ( -7.221 6.921 8.317) 13.008 3.286 ( -7.734 8.445 8.657) 14.355 3.412 ( -1.115 -0.010 -0.497) 1.221 3.570 ( 3.161 6.512 -5.833) 9.297 3.618 ( 1.120 -11.246 -8.195) 13.960 3.728 ( -2.660 1.926 4.485) 5.559 4.035 ( 2.603 -1.325 0.546) 2.972 4.083 ( 0.841 1.160 3.006) 3.331 4.289 ( -1.080 -1.987 -4.351) 4.903 4.416 ( 2.112 2.490 0.472) 3.299 4.845 ( 1.364 3.066 -2.389) 4.119 4.866 ( -3.181 -0.713 0.355) 3.279 5.089 ( -0.018 -5.160 6.479) 8.283 5.280 ( 5.040 0.167 2.276) 5.532 5.383 ( 2.059 -3.389 3.845) 5.523 5.628 ( -2.567 -1.616 -1.342) 3.317 5.945 ( 2.148 -5.799 -3.721) 7.217 6.099 ( -3.915 0.590 4.104) 5.702 6.184 ( -0.697 1.645 -2.776) 3.301 6.295 ( -2.500 -3.152 -1.078) 4.165 6.365 ( 0.408 -1.353 2.627) 2.983 6.494 ( 0.084 -0.063 1.853) 1.856 6.586 ( 1.191 -2.077 1.408) 2.777 6.815 ( -0.346 -0.993 1.039) 1.478 6.924 ( -0.726 -6.119 3.288) 6.984 7.178 ( -2.164 4.239 -1.010) 4.866 7.351 ( -2.550 -1.077 2.759) 3.908 7.572 ( 7.650 1.854 -3.257) 8.519 7.731 ( -9.215 10.614 1.613) 14.149 7.760 ( 4.745 -0.487 -5.200) 7.056 7.900 ( 4.142 1.557 -2.481) 5.073 8.032 ( 0.879 0.504 -4.637) 4.747 8.273 ( 1.287 -1.860 -0.371) 2.292 8.306 ( 0.406 5.412 -0.206) 5.431 8.654 ( -2.875 -5.512 1.699) 6.444 9.032 ( 4.377 1.821 -5.176) 7.019 9.132 ( -0.855 -0.830 -4.176) 4.342 11.565 ( 0.154 0.318 0.867) 0.936 11.620 ( -0.535 0.725 1.062) 1.393 11.669 ( -1.150 -0.815 0.918) 1.682 11.915 ( 2.321 -8.230 -8.467) 12.034 12.435 ( 5.694 3.690 6.209) 9.197 12.615 ( 1.276 4.061 -5.223) 6.738 12.835 ( -3.243 -3.591 3.201) 5.802 13.315 ( -3.753 -11.842 -12.839) 17.865 14.034 ( -0.114 7.699 12.444) 14.634 14.275 ( 1.161 3.384 7.329) 8.156 14.905 ( -2.862 9.880 3.364) 10.822 15.441 ( 0.556 -3.895 -7.406) 8.386 ======================= Grid point 108 (58/88) ======================= q-point: (-0.17 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( -5.216 12.810 12.124) 18.392 1.527 ( -7.251 13.390 12.723) 19.843 1.933 ( 1.749 6.125 -5.249) 8.254 2.113 ( 0.023 1.539 -3.530) 3.851 2.284 ( 8.228 -2.854 -1.797) 8.892 2.391 ( -0.173 -1.253 -0.144) 1.273 2.485 ( 4.174 0.723 6.983) 8.167 2.624 ( 3.392 -2.716 3.666) 5.686 2.690 ( 2.677 4.233 -4.218) 6.548 2.793 ( 3.653 -1.097 4.020) 5.542 2.941 ( -5.982 2.425 2.404) 6.888 2.977 ( -9.315 8.961 10.717) 16.790 3.203 ( -2.192 -2.156 1.658) 3.493 3.378 ( -2.206 -5.918 -7.753) 10.000 3.521 ( -3.134 -2.038 -6.928) 7.872 3.632 ( -4.890 0.045 -0.453) 4.911 3.656 ( 0.778 -0.414 -4.155) 4.248 4.025 ( -1.852 -3.474 1.911) 4.377 4.183 ( 4.592 2.615 1.654) 5.537 4.308 ( 3.756 2.354 0.887) 4.521 4.417 ( -1.653 1.160 -0.756) 2.156 4.824 ( -0.287 -1.515 -2.568) 2.995 4.888 ( 2.903 0.471 2.362) 3.772 5.133 ( 1.421 -8.542 7.259) 11.300 5.379 ( 2.492 -0.790 2.726) 3.777 5.420 ( 0.073 0.335 2.505) 2.528 5.542 ( -3.264 -1.149 -2.686) 4.381 5.978 ( -0.173 -3.467 -6.842) 7.672 6.043 ( -0.748 -0.886 4.123) 4.283 6.169 ( -5.609 -1.553 4.893) 7.603 6.248 ( 3.104 1.225 -1.266) 3.569 6.370 ( 0.701 -1.930 -1.441) 2.509 6.531 ( 3.050 0.118 0.120) 3.055 6.612 ( 0.521 -1.932 1.366) 2.423 6.838 ( 2.534 -1.714 -1.840) 3.569 6.878 ( -3.957 -6.559 1.531) 7.812 7.127 ( -2.684 6.544 0.981) 7.140 7.354 ( 0.631 1.397 5.142) 5.366 7.542 ( -8.360 13.552 0.990) 15.954 7.680 ( 2.882 1.499 -1.383) 3.531 7.833 ( 4.212 -0.204 -4.202) 5.953 7.992 ( 4.843 1.980 -6.940) 8.692 8.050 ( 2.845 -0.637 -3.568) 4.607 8.259 ( -3.846 -0.532 -2.032) 4.382 8.332 ( 2.898 -1.551 5.516) 6.421 8.600 ( -3.048 -5.538 3.381) 7.169 9.056 ( -0.647 0.901 -7.742) 7.821 9.092 ( -0.713 0.217 -4.501) 4.562 11.566 ( -0.388 0.099 1.050) 1.124 11.622 ( 0.287 -0.121 0.635) 0.708 11.645 ( -1.223 -0.454 0.735) 1.497 11.917 ( 0.867 -7.587 -9.172) 11.934 12.547 ( 1.168 2.791 4.563) 5.475 12.646 ( 1.860 1.523 -2.045) 3.156 12.824 ( 3.708 -2.722 2.566) 5.267 13.197 ( -3.219 -7.537 -11.520) 14.137 14.052 ( -2.318 8.875 12.176) 15.244 14.326 ( 1.198 2.859 5.776) 6.555 14.879 ( -0.339 9.701 2.832) 10.111 15.412 ( -0.729 -4.580 -6.964) 8.367 ======================= Grid point 109 (59/88) ======================= q-point: ( 0.00 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( 1.558 17.250 6.346) 18.447 1.763 ( -2.773 13.061 7.469) 15.299 1.958 ( 1.470 -13.718 2.897) 14.097 1.976 ( -0.786 -6.110 2.659) 6.710 2.309 ( 0.256 3.977 -5.224) 6.570 2.391 ( 1.755 -3.326 -5.609) 6.753 2.664 ( 3.363 -1.076 4.269) 5.540 2.680 ( 0.465 -2.867 4.674) 5.503 2.729 ( 1.252 7.831 0.662) 7.958 2.854 ( 6.774 -2.165 -3.412) 7.888 2.926 ( 3.919 2.750 -1.446) 5.002 3.082 ( -2.355 -8.587 -3.106) 9.430 3.145 ( -3.659 3.174 -4.982) 6.949 3.186 ( -3.037 2.730 2.937) 5.030 3.419 ( -6.689 7.654 -2.027) 10.365 3.493 ( -5.642 0.616 -3.878) 6.874 3.686 ( 0.661 2.481 0.862) 2.708 3.877 ( -0.424 -11.360 8.558) 14.230 4.304 ( 2.883 3.409 -3.061) 5.413 4.363 ( 0.977 -1.665 -2.998) 3.566 4.542 ( -0.032 7.967 10.237) 12.972 4.701 ( -1.439 -6.450 6.310) 9.137 4.928 ( 1.743 -1.450 2.595) 3.446 4.975 ( -0.679 -6.694 4.309) 7.989 5.388 ( 0.008 1.061 -1.039) 1.485 5.420 ( 0.128 -1.927 0.324) 1.958 5.612 ( -1.754 9.515 -5.491) 11.125 5.802 ( -3.048 -7.261 -6.847) 10.435 5.988 ( -3.089 -0.266 5.750) 6.533 6.019 ( -2.194 -3.466 3.563) 5.433 6.363 ( 3.127 0.320 -2.454) 3.988 6.380 ( 3.847 -1.294 -1.871) 4.470 6.592 ( -0.964 2.496 1.945) 3.307 6.662 ( -0.360 -3.254 0.998) 3.422 6.737 ( 3.284 4.673 -1.608) 5.933 6.855 ( 6.414 -5.404 -3.799) 9.207 7.239 ( -2.027 7.507 6.533) 10.156 7.366 ( -1.219 -3.720 7.866) 8.786 7.615 ( -5.886 6.436 -1.829) 8.911 7.689 ( -4.197 -0.954 -1.231) 4.477 7.936 ( 1.456 3.712 -1.711) 4.339 8.016 ( -1.605 -2.747 -3.492) 4.724 8.102 ( 3.616 0.480 -2.839) 4.623 8.126 ( 2.114 -1.720 -2.537) 3.723 8.423 ( 3.303 1.321 4.858) 6.021 8.478 ( -1.082 -3.018 2.674) 4.175 9.018 ( -1.554 1.477 -7.543) 7.842 9.049 ( -0.657 -1.348 -7.541) 7.688 11.568 ( -0.787 0.879 0.874) 1.469 11.591 ( -0.600 -1.366 1.155) 1.887 11.684 ( 1.312 3.192 -3.454) 4.883 11.774 ( 1.056 -5.273 -6.150) 8.170 12.576 ( -3.714 4.863 4.053) 7.339 12.667 ( -1.232 -2.520 0.620) 2.872 12.936 ( 6.449 1.022 -3.325) 7.327 13.019 ( 2.936 -5.592 -7.815) 10.048 14.218 ( -4.092 8.312 11.763) 14.974 14.339 ( -2.872 -3.013 10.029) 10.858 15.093 ( 2.151 8.264 -3.007) 9.053 15.254 ( 0.772 -7.032 -5.018) 8.673 ======================= Grid point 110 (60/88) ======================= q-point: ( 0.17 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( 3.517 14.349 6.375) 16.090 1.730 ( -2.104 15.287 6.751) 16.843 1.967 ( -0.226 -9.233 1.902) 9.429 2.016 ( 1.917 -10.962 3.906) 11.794 2.244 ( -4.721 2.482 -2.684) 5.971 2.339 ( -5.090 -5.397 -4.949) 8.917 2.678 ( -0.291 4.234 -1.181) 4.406 2.711 ( 1.869 -1.544 1.478) 2.839 2.801 ( 2.764 6.446 1.378) 7.148 2.876 ( -2.066 0.771 -8.815) 9.087 2.995 ( -5.028 -0.640 -6.332) 8.111 3.073 ( 5.979 -3.700 2.892) 7.603 3.089 ( 2.102 2.007 3.754) 4.748 3.210 ( 0.670 -9.439 1.618) 9.600 3.355 ( 4.087 11.001 0.818) 11.765 3.430 ( 1.070 0.955 -3.528) 3.808 3.699 ( 0.370 6.536 2.829) 7.132 3.928 ( 3.330 -12.018 3.933) 13.076 4.317 ( -1.192 2.700 -2.483) 3.857 4.349 ( -1.474 0.069 -0.945) 1.752 4.549 ( -3.028 6.862 9.512) 12.114 4.698 ( -0.702 -4.679 8.201) 9.468 4.967 ( -0.016 -4.680 1.491) 4.912 4.990 ( 1.538 -5.968 3.702) 7.190 5.357 ( -3.449 2.516 -2.547) 4.971 5.381 ( -2.431 1.652 -2.997) 4.197 5.585 ( 0.803 4.541 -1.807) 4.953 5.731 ( -1.223 -6.821 -3.586) 7.803 5.992 ( 2.364 -0.197 3.014) 3.835 6.031 ( 2.218 -3.956 0.549) 4.568 6.385 ( -0.543 0.619 -1.746) 1.930 6.411 ( -0.896 -2.107 -1.022) 2.507 6.581 ( -0.749 1.416 2.143) 2.676 6.623 ( -1.929 -2.425 1.439) 3.417 6.825 ( 3.117 7.626 -0.390) 8.247 6.974 ( 4.989 -6.551 -1.717) 8.412 7.222 ( -1.478 7.460 6.890) 10.262 7.337 ( -3.305 -1.559 6.328) 7.307 7.533 ( -1.238 1.939 -3.605) 4.276 7.588 ( -4.461 -2.751 -3.650) 6.387 7.900 ( -2.968 4.776 -0.566) 5.652 7.987 ( -1.131 -3.132 -0.455) 3.360 8.163 ( 3.570 1.008 -4.269) 5.656 8.183 ( 3.821 -0.645 -4.132) 5.665 8.461 ( -1.336 2.806 3.242) 4.491 8.513 ( 3.101 -2.470 4.826) 6.246 8.972 ( -0.123 2.734 -7.583) 8.062 9.029 ( 1.258 -2.527 -6.569) 7.150 11.562 ( -0.016 1.184 0.747) 1.400 11.595 ( 0.608 -1.864 0.975) 2.190 11.695 ( 0.750 2.815 -3.350) 4.439 11.770 ( 0.490 -4.319 -5.548) 7.048 12.505 ( -3.866 6.776 2.860) 8.309 12.627 ( -2.376 -3.936 0.387) 4.614 13.027 ( 2.603 0.176 -5.319) 5.924 13.084 ( 5.493 -5.914 -5.351) 9.685 14.159 ( -5.061 8.671 12.065) 15.696 14.292 ( -4.667 -3.626 10.579) 12.117 15.137 ( 2.656 7.309 -2.973) 8.326 15.274 ( 2.663 -5.768 -5.172) 8.192 ======================= Grid point 111 (61/88) ======================= q-point: ( 0.33 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.715 ( 0.839 15.103 4.980) 15.925 1.801 ( 2.641 11.972 4.957) 13.224 1.971 ( -0.009 -5.472 -0.799) 5.530 2.053 ( 1.244 -9.259 2.577) 9.691 2.130 ( -5.806 -1.145 3.074) 6.669 2.221 ( -3.723 -6.548 -0.931) 7.590 2.597 ( -6.650 3.047 -0.845) 7.363 2.669 ( -7.779 -3.511 -3.597) 9.262 2.814 ( 1.574 3.418 -7.532) 8.420 2.852 ( -1.339 -0.585 -5.563) 5.752 2.884 ( 0.015 10.487 1.358) 10.574 3.180 ( 2.675 -5.957 3.418) 7.371 3.207 ( 5.242 -3.503 0.458) 6.321 3.241 ( 4.255 -4.743 4.393) 7.739 3.478 ( 6.025 5.986 -1.035) 8.556 3.515 ( 6.632 1.673 -2.424) 7.257 3.763 ( 4.920 10.723 5.690) 13.098 4.015 ( 3.501 -10.926 -1.332) 11.550 4.235 ( -5.806 2.514 -1.408) 6.481 4.289 ( -4.056 -2.372 -1.076) 4.820 4.511 ( -3.383 10.232 11.728) 15.928 4.728 ( 0.104 -6.962 10.370) 12.491 4.952 ( -1.604 -1.994 1.425) 2.929 5.029 ( 0.693 -7.449 2.822) 7.996 5.264 ( -2.634 5.742 -4.388) 7.692 5.322 ( -2.095 1.112 -4.303) 4.913 5.613 ( 1.974 2.301 -1.536) 3.398 5.729 ( 1.536 -7.451 -2.968) 8.166 6.083 ( 4.582 -0.811 0.752) 4.714 6.109 ( 5.353 -2.856 1.240) 6.192 6.336 ( -3.318 0.316 -0.834) 3.436 6.356 ( -3.519 -1.840 -0.797) 4.050 6.564 ( -1.537 1.356 2.838) 3.501 6.602 ( -1.592 -1.586 3.055) 3.793 6.835 ( -2.101 7.726 3.224) 8.632 6.993 ( -4.049 -6.864 4.378) 9.093 7.239 ( 1.447 5.312 2.145) 5.908 7.329 ( 1.669 -1.350 1.111) 2.417 7.494 ( -2.731 0.111 -3.960) 4.812 7.531 ( 2.340 -2.265 -4.788) 5.791 7.864 ( 0.133 4.930 -2.794) 5.668 7.961 ( -0.385 -3.941 -2.203) 4.531 8.196 ( -0.053 2.525 -1.388) 2.882 8.232 ( 1.727 -0.765 -2.270) 2.953 8.447 ( -0.841 6.941 1.712) 7.199 8.571 ( 0.976 -5.065 3.661) 6.326 8.971 ( 2.567 4.076 -7.017) 8.511 9.052 ( 2.759 -3.489 -5.272) 6.898 11.571 ( 0.701 1.891 0.210) 2.028 11.619 ( 1.307 -2.403 0.682) 2.820 11.690 ( -0.137 2.458 -2.571) 3.560 11.758 ( 0.241 -4.182 -5.121) 6.616 12.455 ( -1.778 7.259 2.845) 7.997 12.588 ( -1.433 -4.793 0.965) 5.095 13.019 ( -1.157 3.422 -5.966) 6.974 13.150 ( 2.371 -9.659 -6.705) 11.995 14.120 ( -2.638 8.172 13.020) 15.597 14.246 ( -3.183 -3.388 11.668) 12.560 15.166 ( 1.001 8.033 -2.831) 8.576 15.313 ( 2.597 -5.893 -5.710) 8.607 ======================= Grid point 112 (62/88) ======================= q-point: (-0.50 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.761 ( -3.512 11.903 1.364) 12.485 1.807 ( 2.620 14.685 5.699) 15.969 1.972 ( -0.164 -4.854 -2.147) 5.310 2.059 ( -0.941 0.050 0.522) 1.077 2.123 ( 4.322 -9.194 3.271) 10.673 2.167 ( -3.531 -8.310 1.703) 9.188 2.470 ( -4.556 2.129 2.893) 5.802 2.503 ( -5.415 -1.114 0.362) 5.540 2.767 ( -2.048 2.854 -5.618) 6.626 2.835 ( 0.381 -1.913 -6.077) 6.382 2.902 ( 0.178 10.467 0.815) 10.501 3.194 ( -1.073 -11.905 0.440) 11.962 3.307 ( 4.093 1.956 2.752) 5.306 3.349 ( 3.936 -4.050 -2.631) 6.230 3.605 ( 5.686 7.103 1.041) 9.158 3.653 ( 7.258 2.561 0.575) 7.718 3.851 ( -1.439 6.959 2.553) 7.551 4.002 ( -3.530 -5.812 -4.738) 8.288 4.114 ( -3.583 3.282 1.075) 4.977 4.223 ( -1.403 -6.180 -0.343) 6.346 4.504 ( -1.288 10.944 11.100) 15.641 4.754 ( -1.822 -10.751 11.689) 15.985 4.922 ( -1.379 2.475 1.046) 3.020 5.024 ( -1.837 -5.944 2.084) 6.561 5.259 ( 3.063 4.507 -3.540) 6.499 5.293 ( 1.134 0.958 -2.589) 2.984 5.643 ( 1.646 2.023 -3.408) 4.292 5.755 ( 2.324 -8.013 -4.824) 9.638 6.152 ( 1.195 2.012 2.464) 3.398 6.223 ( 3.697 -4.270 2.568) 6.204 6.260 ( -3.473 0.432 -0.884) 3.610 6.288 ( -2.013 -1.977 -0.729) 2.914 6.546 ( -1.268 1.237 2.634) 3.174 6.567 ( -2.429 0.113 3.377) 4.161 6.806 ( -1.413 2.476 4.591) 5.404 6.887 ( -6.323 -4.394 4.665) 9.003 7.267 ( 0.574 3.578 0.227) 3.631 7.345 ( -1.761 -4.006 0.745) 4.439 7.502 ( 5.797 5.036 -4.755) 9.032 7.604 ( 6.135 -4.103 -4.829) 8.820 7.879 ( 2.498 4.673 -5.302) 7.495 7.966 ( 1.586 -3.062 -3.043) 4.599 8.140 ( -5.391 5.808 2.395) 8.278 8.231 ( -1.399 -2.695 0.029) 3.036 8.437 ( -0.511 6.934 -0.535) 6.973 8.575 ( -1.488 -6.251 2.049) 6.744 9.020 ( 3.997 3.723 -6.221) 8.279 9.091 ( 2.506 -3.023 -5.095) 6.433 11.588 ( 0.829 2.517 -0.469) 2.692 11.640 ( 0.218 -1.825 0.435) 1.889 11.676 ( -0.374 1.940 -1.327) 2.380 11.750 ( 0.882 -5.299 -5.494) 7.684 12.459 ( 1.120 6.473 3.712) 7.546 12.582 ( 0.396 -4.705 1.751) 5.036 12.952 ( -3.004 5.842 -5.923) 8.845 13.134 ( -1.021 -11.496 -8.469) 14.315 14.141 ( -0.032 7.216 13.425) 15.241 14.248 ( -0.704 -2.578 12.094) 12.385 15.157 ( -0.831 9.404 -2.849) 9.861 15.331 ( 1.027 -6.969 -5.987) 9.245 ======================= Grid point 113 (63/88) ======================= q-point: (-0.33 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( -4.978 15.330 1.747) 16.212 1.862 ( -2.985 12.286 7.317) 14.608 1.953 ( 0.114 -9.918 -1.685) 10.060 2.061 ( -5.051 -2.773 -1.302) 5.907 2.111 ( 6.738 0.657 -2.822) 7.334 2.234 ( 4.949 -9.376 2.067) 10.801 2.454 ( 0.838 2.733 8.847) 9.297 2.499 ( 2.699 -0.930 5.753) 6.422 2.723 ( -0.380 1.930 -4.248) 4.681 2.803 ( -1.617 -6.168 -2.977) 7.037 2.906 ( 0.660 12.969 -3.372) 13.417 3.159 ( -1.957 -7.263 -0.704) 7.555 3.364 ( -0.375 -2.670 -7.842) 8.293 3.380 ( 1.563 -4.340 -1.698) 4.916 3.633 ( -7.579 14.555 10.702) 19.592 3.723 ( -1.425 6.171 -7.760) 10.016 3.775 ( -1.322 0.581 0.867) 1.685 3.896 ( -3.768 -9.486 2.600) 10.533 4.156 ( 4.506 2.642 1.500) 5.434 4.218 ( 2.009 -3.806 -0.954) 4.408 4.519 ( -0.859 8.121 7.305) 10.957 4.727 ( -3.410 -10.373 8.163) 13.633 4.910 ( -0.880 3.457 3.192) 4.787 4.997 ( -1.466 -4.393 3.484) 5.796 5.312 ( 3.038 2.192 -1.865) 4.185 5.352 ( 3.523 -1.093 -0.462) 3.718 5.651 ( 0.914 5.090 -5.423) 7.493 5.804 ( 4.333 -7.869 -6.837) 11.289 6.131 ( -4.064 2.637 3.930) 6.238 6.196 ( -2.949 -2.272 1.056) 3.869 6.247 ( 0.008 0.555 0.599) 0.817 6.297 ( 0.988 -3.477 0.958) 3.739 6.528 ( -0.023 2.016 0.880) 2.199 6.560 ( 0.618 -0.959 2.333) 2.597 6.791 ( -1.917 -0.839 2.368) 3.160 6.811 ( -2.464 -3.461 3.916) 5.778 7.268 ( -0.707 3.254 0.997) 3.476 7.314 ( -0.454 -1.764 1.829) 2.581 7.635 ( 7.288 4.137 -3.454) 9.065 7.722 ( 6.048 -3.331 -4.126) 8.043 7.923 ( 3.392 5.616 -7.473) 9.944 7.988 ( -1.032 3.570 3.734) 5.268 8.022 ( -3.452 2.707 -2.499) 5.049 8.183 ( -3.252 -6.817 1.873) 7.781 8.417 ( -1.418 5.271 -0.498) 5.481 8.532 ( -2.838 -5.874 1.287) 6.649 9.072 ( 2.749 1.916 -6.421) 7.242 9.108 ( 0.739 -1.510 -5.593) 5.840 11.596 ( -0.036 2.259 -0.224) 2.271 11.630 ( -1.010 -0.558 0.358) 1.208 11.667 ( -0.089 1.727 -1.243) 2.130 11.757 ( 1.696 -6.470 -6.246) 9.152 12.523 ( 3.366 4.535 4.952) 7.511 12.613 ( 1.812 -3.646 2.344) 4.698 12.876 ( -2.053 7.056 -5.681) 9.289 13.071 ( -1.749 -11.055 -9.089) 14.418 14.194 ( 0.355 6.782 12.957) 14.629 14.289 ( 0.474 -2.052 11.452) 11.644 15.120 ( -1.637 10.248 -2.888) 10.772 15.314 ( -0.572 -8.044 -5.894) 9.989 ======================= Grid point 114 (64/88) ======================= q-point: (-0.17 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.593 ( -2.030 17.412 4.080) 17.998 1.800 ( -3.786 11.346 6.996) 13.856 1.945 ( -0.749 -13.285 0.070) 13.307 1.990 ( -1.415 -3.548 1.211) 4.007 2.260 ( 6.067 2.074 -2.998) 7.078 2.333 ( 4.899 -3.737 -2.028) 6.487 2.547 ( 4.627 2.977 9.181) 10.703 2.591 ( 3.838 -1.063 5.756) 6.999 2.737 ( 2.908 -1.242 -0.790) 3.259 2.763 ( -1.154 -4.434 -2.004) 5.001 2.905 ( 0.863 10.064 -5.553) 11.526 3.120 ( -1.352 -7.031 -1.849) 7.395 3.269 ( -5.308 -0.457 -8.812) 10.298 3.312 ( -7.131 0.756 -1.864) 7.409 3.522 ( -4.209 11.675 4.911) 13.347 3.658 ( -7.504 0.448 -3.561) 8.318 3.682 ( -0.949 2.382 -2.234) 3.401 3.876 ( -2.174 -11.240 9.775) 15.054 4.237 ( 4.201 3.354 -2.309) 5.851 4.311 ( 5.146 -2.676 -1.804) 6.074 4.518 ( -1.208 8.183 8.109) 11.583 4.703 ( -1.225 -8.618 5.872) 10.500 4.905 ( -0.498 1.755 3.823) 4.236 4.982 ( -1.463 -5.610 4.632) 7.421 5.368 ( 2.346 0.386 -0.113) 2.380 5.397 ( 1.448 -2.089 -0.657) 2.626 5.650 ( 0.406 9.451 -5.983) 11.193 5.850 ( 1.796 -8.642 -8.871) 12.514 6.048 ( -4.873 1.706 5.522) 7.560 6.108 ( -6.654 -3.573 5.738) 9.485 6.285 ( 3.917 1.769 -1.530) 4.563 6.322 ( 2.174 -2.001 -1.540) 3.332 6.568 ( 3.224 2.611 -0.132) 4.151 6.602 ( 2.623 -0.059 1.129) 2.856 6.764 ( -2.804 -3.012 2.133) 4.635 6.781 ( 1.033 -3.188 -1.279) 3.587 7.254 ( -1.259 5.351 3.664) 6.607 7.340 ( 1.113 -2.616 4.846) 5.619 7.729 ( 1.572 2.906 -1.332) 3.562 7.748 ( -4.592 3.244 -0.066) 5.623 7.899 ( 0.876 8.071 -2.711) 8.559 8.013 ( 4.006 0.004 -7.861) 8.822 8.041 ( 2.798 -0.142 -2.220) 3.574 8.132 ( -2.297 -9.254 3.264) 10.078 8.384 ( -1.085 4.794 2.079) 5.337 8.492 ( -1.359 -5.214 1.656) 5.637 9.072 ( -0.578 0.750 -7.571) 7.630 9.087 ( -0.400 -0.619 -6.288) 6.331 11.584 ( -0.990 1.265 0.651) 1.733 11.608 ( -1.286 -0.995 0.956) 1.887 11.670 ( 1.019 3.006 -2.825) 4.249 11.769 ( 1.536 -6.270 -6.474) 9.143 12.597 ( 0.832 2.800 5.591) 6.308 12.658 ( 1.459 -2.208 2.160) 3.416 12.852 ( 2.276 6.044 -5.261) 8.330 13.018 ( -0.051 -8.941 -8.906) 12.619 14.231 ( -1.248 7.343 12.234) 14.324 14.333 ( -0.217 -2.247 10.460) 10.701 15.085 ( -0.399 9.826 -2.909) 10.256 15.276 ( -0.884 -8.210 -5.464) 9.901 ======================= Grid point 133 (65/88) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( -13.041 0.000 16.128) 20.741 1.464 ( -1.255 0.000 12.438) 12.501 1.679 ( 8.708 0.000 -9.508) 12.893 1.715 ( 1.670 0.000 -5.421) 5.672 2.364 ( -5.127 0.000 -0.895) 5.204 2.417 ( 7.924 0.000 -5.409) 9.594 2.576 ( -0.792 0.000 22.723) 22.737 2.826 ( 0.074 0.000 4.909) 4.910 2.842 ( 12.382 0.000 2.314) 12.596 2.923 ( -1.336 0.000 -6.899) 7.027 2.925 ( -9.709 0.000 1.050) 9.766 3.005 ( -1.136 0.000 -11.834) 11.888 3.173 ( 2.875 0.000 6.966) 7.536 3.282 ( -0.804 0.000 -1.416) 1.628 3.556 ( -8.340 0.000 4.780) 9.613 3.654 ( -10.455 0.000 7.329) 12.768 3.800 ( 12.342 0.000 -3.973) 12.966 3.845 ( 3.500 0.000 -10.821) 11.373 4.083 ( -0.914 0.000 0.212) 0.939 4.216 ( 0.364 0.000 -6.605) 6.615 4.349 ( -2.976 0.000 3.698) 4.747 4.475 ( 3.201 0.000 -6.651) 7.381 5.333 ( 10.494 0.000 0.518) 10.506 5.346 ( -7.804 0.000 -0.553) 7.823 5.465 ( -3.661 0.000 7.668) 8.497 5.597 ( 2.698 0.000 -4.625) 5.355 5.667 ( -2.412 0.000 8.226) 8.573 5.866 ( 4.791 0.000 -9.478) 10.620 6.127 ( -0.271 0.000 4.938) 4.946 6.243 ( 1.343 0.000 -6.176) 6.321 6.252 ( -7.892 0.000 4.252) 8.965 6.309 ( 6.686 0.000 -1.169) 6.787 6.605 ( -9.710 0.000 4.217) 10.587 6.666 ( 6.201 0.000 -1.161) 6.309 6.863 ( -1.511 0.000 -0.957) 1.789 6.865 ( 0.140 0.000 -1.340) 1.347 6.955 ( -6.062 0.000 -0.450) 6.078 6.961 ( 8.315 0.000 -0.597) 8.336 7.478 ( -3.098 0.000 12.777) 13.147 7.686 ( 0.450 0.000 -4.204) 4.228 7.827 ( -0.240 0.000 -2.270) 2.283 7.882 ( 3.108 0.000 -5.585) 6.392 8.083 ( -3.891 0.000 0.112) 3.893 8.112 ( 4.574 0.000 -2.159) 5.058 8.685 ( 5.725 0.000 7.679) 9.579 8.788 ( -12.411 0.000 3.827) 12.988 8.841 ( -5.577 0.000 -6.490) 8.557 8.867 ( 8.361 0.000 -3.754) 9.165 11.638 ( -0.420 0.000 2.195) 2.235 11.666 ( 0.130 0.000 -0.493) 0.510 11.737 ( -1.165 0.000 5.350) 5.475 11.874 ( -0.107 0.000 -7.449) 7.449 12.494 ( 6.629 0.000 3.267) 7.391 12.600 ( -10.672 0.000 -6.311) 12.398 13.099 ( -7.145 0.000 4.761) 8.586 13.177 ( 12.660 0.000 -2.727) 12.950 14.006 ( 0.327 0.000 2.561) 2.581 14.065 ( -0.211 0.000 -3.047) 3.055 14.979 ( -0.437 0.000 14.050) 14.057 15.249 ( 0.637 0.000 -11.199) 11.217 ======================= Grid point 134 (66/88) ======================= q-point: ( 0.17 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.220 ( -2.408 0.000 15.205) 15.395 1.510 ( 2.109 0.000 12.692) 12.866 1.720 ( 0.370 0.000 -3.064) 3.086 1.854 ( 9.708 0.000 -8.445) 12.867 2.276 ( -2.492 0.000 -5.173) 5.742 2.506 ( 1.256 0.000 -6.012) 6.142 2.590 ( -8.156 0.000 8.485) 11.769 2.753 ( -10.281 0.000 -5.306) 11.569 2.823 ( 2.783 0.000 13.855) 14.132 2.866 ( 3.775 0.000 1.121) 3.938 2.949 ( -1.938 0.000 -9.461) 9.658 3.080 ( 7.137 0.000 3.355) 7.886 3.207 ( -5.122 0.000 -4.934) 7.112 3.293 ( 6.138 0.000 4.261) 7.472 3.509 ( 0.359 0.000 13.544) 13.549 3.534 ( -0.922 0.000 5.525) 5.602 3.905 ( 4.685 0.000 -8.894) 10.053 4.024 ( 10.558 0.000 -6.936) 12.632 4.036 ( -3.665 0.000 1.604) 4.001 4.161 ( -2.810 0.000 -6.634) 7.204 4.272 ( -6.299 0.000 5.014) 8.051 4.492 ( 0.759 0.000 -7.850) 7.887 5.147 ( -8.701 0.000 -3.647) 9.434 5.288 ( -7.787 0.000 3.143) 8.398 5.499 ( -3.423 0.000 12.951) 13.396 5.658 ( 3.130 0.000 -3.291) 4.542 5.757 ( 8.024 0.000 -2.581) 8.429 5.923 ( 3.933 0.000 -11.155) 11.828 6.108 ( -2.448 0.000 3.017) 3.885 6.213 ( 3.950 0.000 4.079) 5.678 6.242 ( 1.173 0.000 -5.587) 5.708 6.442 ( 4.904 0.000 -1.305) 5.074 6.468 ( -5.180 0.000 5.326) 7.429 6.754 ( -5.876 0.000 1.683) 6.113 6.784 ( 2.417 0.000 3.136) 3.959 6.822 ( -1.821 0.000 0.074) 1.822 6.985 ( 6.983 0.000 -3.030) 7.612 7.164 ( 10.882 0.000 -2.576) 11.183 7.476 ( -1.490 0.000 12.338) 12.427 7.692 ( 1.315 0.000 -2.083) 2.464 7.798 ( -1.360 0.000 -4.133) 4.351 7.890 ( -0.758 0.000 -5.198) 5.253 7.993 ( -3.849 0.000 -2.319) 4.493 8.148 ( -0.931 0.000 -1.411) 1.691 8.531 ( -13.028 0.000 8.946) 15.804 8.690 ( -6.044 0.000 -7.622) 9.728 8.827 ( 5.061 0.000 7.328) 8.905 9.018 ( 6.347 0.000 -1.369) 6.493 11.637 ( -0.436 0.000 2.455) 2.493 11.673 ( 0.599 0.000 -0.757) 0.965 11.739 ( -0.631 0.000 6.368) 6.400 11.867 ( 1.674 0.000 -5.173) 5.437 12.388 ( -7.660 0.000 -3.086) 8.258 12.578 ( -1.573 0.000 4.767) 5.020 13.017 ( -0.291 0.000 2.362) 2.380 13.398 ( 9.942 0.000 -7.999) 12.761 14.024 ( 0.554 0.000 2.366) 2.430 14.031 ( -1.944 0.000 -2.495) 3.163 15.024 ( -0.184 0.000 12.989) 12.991 15.234 ( 1.829 0.000 -11.373) 11.519 ======================= Grid point 135 (67/88) ======================= q-point: ( 0.33 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( 10.659 0.000 12.433) 16.377 1.627 ( 5.245 0.000 7.077) 8.808 1.713 ( -0.809 0.000 1.950) 2.111 2.004 ( 6.900 0.000 -0.850) 6.952 2.186 ( -3.699 0.000 -14.479) 14.944 2.354 ( -11.806 0.000 0.092) 11.807 2.474 ( -15.100 0.000 0.226) 15.101 2.488 ( -2.056 0.000 -5.819) 6.171 2.937 ( 3.081 0.000 -4.013) 5.060 2.944 ( 3.192 0.000 5.973) 6.772 2.978 ( 1.823 0.000 -0.393) 1.865 3.074 ( -5.794 0.000 3.128) 6.585 3.176 ( 5.803 0.000 11.117) 12.540 3.502 ( 12.656 0.000 -0.526) 12.667 3.588 ( 1.561 0.000 11.092) 11.202 3.636 ( 5.955 0.000 5.664) 8.218 3.908 ( -5.501 0.000 3.935) 6.763 3.979 ( 1.213 0.000 -11.225) 11.290 4.041 ( -4.901 0.000 -3.099) 5.799 4.129 ( -6.875 0.000 -0.262) 6.880 4.203 ( 5.864 0.000 -4.563) 7.430 4.458 ( -0.714 0.000 -9.558) 9.585 5.018 ( -1.928 0.000 -4.249) 4.666 5.131 ( -8.138 0.000 2.138) 8.414 5.485 ( -1.839 0.000 16.171) 16.275 5.694 ( 1.538 0.000 -1.424) 2.096 5.787 ( -3.376 0.000 1.160) 3.570 5.942 ( 2.147 0.000 -14.910) 15.064 6.145 ( 3.327 0.000 0.868) 3.439 6.245 ( 0.164 0.000 -2.680) 2.685 6.319 ( 2.396 0.000 1.476) 2.814 6.471 ( -1.145 0.000 -2.594) 2.836 6.485 ( 7.557 0.000 1.869) 7.785 6.661 ( -3.381 0.000 2.943) 4.482 6.794 ( -0.714 0.000 -0.019) 0.714 6.801 ( -2.359 0.000 5.875) 6.331 7.157 ( 8.846 0.000 -0.880) 8.889 7.353 ( 8.161 0.000 -6.144) 10.216 7.501 ( 0.183 0.000 10.622) 10.624 7.714 ( 0.542 0.000 -0.754) 0.929 7.766 ( 0.689 0.000 -5.701) 5.743 7.809 ( -5.829 0.000 -0.332) 5.838 7.935 ( -0.291 0.000 -4.560) 4.569 8.063 ( -6.418 0.000 -0.678) 6.453 8.360 ( -6.605 0.000 10.185) 12.139 8.565 ( -2.874 0.000 -9.021) 9.468 8.943 ( 3.937 0.000 6.647) 7.725 9.105 ( 2.715 0.000 -1.685) 3.196 11.637 ( -0.466 0.000 2.812) 2.850 11.682 ( 0.592 0.000 -1.283) 1.413 11.751 ( -0.686 0.000 7.609) 7.640 11.903 ( 3.392 0.000 -5.490) 6.453 12.280 ( -2.072 0.000 -1.347) 2.471 12.478 ( -7.050 0.000 0.316) 7.057 13.093 ( 4.458 0.000 6.621) 7.982 13.506 ( 3.661 0.000 -12.600) 13.121 13.989 ( -1.298 0.000 1.240) 1.795 14.038 ( 0.084 0.000 1.124) 1.127 15.046 ( -2.074 0.000 12.439) 12.611 15.246 ( 2.960 0.000 -10.855) 11.251 ======================= Grid point 136 (68/88) ======================= q-point: (-0.50 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( 8.457 0.000 14.608) 16.879 1.712 ( -0.965 0.000 1.590) 1.860 1.714 ( 3.148 0.000 1.080) 3.328 1.954 ( -9.073 0.000 -10.501) 13.878 2.123 ( -10.296 0.000 3.267) 10.802 2.214 ( 10.456 0.000 -5.065) 11.618 2.243 ( -6.263 0.000 6.739) 9.199 2.448 ( 1.461 0.000 -10.058) 10.163 2.953 ( -2.104 0.000 3.841) 4.379 2.957 ( -5.294 0.000 2.860) 6.017 3.002 ( 2.744 0.000 -1.925) 3.352 3.017 ( 2.464 0.000 -1.362) 2.815 3.385 ( 3.921 0.000 20.281) 20.656 3.599 ( -3.345 0.000 6.093) 6.951 3.647 ( -9.096 0.000 -0.494) 9.109 3.745 ( 11.060 0.000 -4.078) 11.788 3.851 ( 1.370 0.000 8.461) 8.571 3.935 ( -2.803 0.000 2.327) 3.643 3.972 ( 1.601 0.000 -8.962) 9.103 4.032 ( -1.516 0.000 -8.102) 8.243 4.280 ( 3.216 0.000 -2.402) 4.014 4.410 ( -0.311 0.000 -11.799) 11.804 4.988 ( -5.940 0.000 1.811) 6.210 5.043 ( 5.160 0.000 -3.087) 6.013 5.535 ( 0.773 0.000 16.647) 16.665 5.709 ( -4.338 0.000 3.111) 5.338 5.725 ( 1.804 0.000 0.229) 1.818 5.906 ( -0.226 0.000 -16.402) 16.403 6.189 ( 0.138 0.000 2.865) 2.868 6.219 ( -2.498 0.000 -0.177) 2.504 6.353 ( 1.338 0.000 3.450) 3.701 6.413 ( -3.079 0.000 -1.590) 3.465 6.603 ( -3.779 0.000 2.178) 4.362 6.662 ( 6.248 0.000 -3.191) 7.016 6.771 ( -0.903 0.000 2.528) 2.684 6.819 ( 4.419 0.000 -1.283) 4.602 7.283 ( 2.460 0.000 1.938) 3.132 7.376 ( -5.533 0.000 -5.222) 7.608 7.562 ( 2.784 0.000 6.433) 7.010 7.710 ( 0.665 0.000 -5.440) 5.480 7.727 ( -0.684 0.000 2.270) 2.371 7.779 ( 1.316 0.000 -2.709) 3.012 7.912 ( -7.573 0.000 2.061) 7.848 7.962 ( 4.077 0.000 -2.870) 4.986 8.323 ( -0.320 0.000 7.734) 7.741 8.527 ( 2.545 0.000 -10.482) 10.786 9.028 ( 2.185 0.000 5.035) 5.488 9.119 ( -0.442 0.000 -3.263) 3.292 11.637 ( -0.488 0.000 2.915) 2.956 11.686 ( 0.271 0.000 -1.527) 1.551 11.760 ( -1.115 0.000 8.034) 8.111 11.946 ( 2.702 0.000 -8.754) 9.162 12.304 ( 4.660 0.000 1.479) 4.889 12.350 ( -4.469 0.000 -2.527) 5.134 13.198 ( 2.504 0.000 10.150) 10.454 13.455 ( -3.769 0.000 -14.350) 14.836 13.998 ( 1.086 0.000 3.260) 3.436 14.032 ( -0.871 0.000 -0.107) 0.878 15.027 ( -3.879 0.000 12.691) 13.270 15.272 ( 2.942 0.000 -10.220) 10.635 ======================= Grid point 137 (69/88) ======================= q-point: (-0.33 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( -9.103 0.000 -3.098) 9.616 1.686 ( -1.125 0.000 6.320) 6.419 1.775 ( -8.596 0.000 9.831) 13.059 1.779 ( -6.454 0.000 -4.967) 8.144 2.096 ( 7.796 0.000 0.230) 7.799 2.278 ( 6.164 0.000 4.963) 7.913 2.431 ( 10.672 0.000 -0.885) 10.709 2.502 ( 6.110 0.000 -3.673) 7.128 2.873 ( -7.302 0.000 1.597) 7.475 2.874 ( -3.750 0.000 3.363) 5.037 3.037 ( 1.345 0.000 -1.281) 1.858 3.061 ( 0.557 0.000 9.569) 9.585 3.412 ( -10.411 0.000 -7.081) 12.591 3.427 ( -2.386 0.000 11.628) 11.870 3.523 ( -4.837 0.000 4.175) 6.390 3.837 ( -1.211 0.000 -1.359) 1.821 3.919 ( -4.609 0.000 -6.798) 8.213 3.950 ( 6.858 0.000 -2.282) 7.227 3.986 ( -0.815 0.000 1.906) 2.073 4.044 ( 8.083 0.000 -3.042) 8.636 4.335 ( 2.341 0.000 0.783) 2.469 4.380 ( 2.105 0.000 -12.009) 12.192 4.933 ( 0.582 0.000 3.512) 3.560 5.181 ( 8.565 0.000 -2.304) 8.870 5.608 ( -0.389 0.000 15.208) 15.213 5.641 ( -2.576 0.000 3.835) 4.620 5.758 ( 0.198 0.000 2.211) 2.220 5.837 ( -0.833 0.000 -15.136) 15.159 6.150 ( -3.124 0.000 0.165) 3.128 6.178 ( -2.155 0.000 4.086) 4.620 6.347 ( -2.782 0.000 -1.222) 3.038 6.394 ( 0.730 0.000 4.174) 4.237 6.547 ( -0.670 0.000 -2.859) 2.936 6.717 ( 2.064 0.000 -1.864) 2.781 6.788 ( 1.766 0.000 0.102) 1.769 6.914 ( 3.289 0.000 -4.011) 5.187 7.154 ( -13.322 0.000 0.171) 13.323 7.261 ( -4.897 0.000 2.076) 5.319 7.610 ( -3.729 0.000 8.261) 9.063 7.706 ( 1.002 0.000 -7.337) 7.405 7.721 ( 1.676 0.000 -1.358) 2.157 7.801 ( 1.342 0.000 -0.345) 1.386 7.880 ( 4.584 0.000 -0.357) 4.597 8.055 ( 4.830 0.000 -0.491) 4.855 8.392 ( 4.327 0.000 6.837) 8.091 8.585 ( 6.189 0.000 -10.102) 11.847 9.055 ( -1.166 0.000 2.809) 3.042 9.070 ( -2.814 0.000 -4.933) 5.680 11.638 ( -0.407 0.000 2.682) 2.713 11.682 ( -0.212 0.000 -1.308) 1.325 11.759 ( -1.522 0.000 7.120) 7.281 11.946 ( 0.742 0.000 -10.629) 10.655 12.297 ( 0.451 0.000 -2.463) 2.504 12.476 ( 11.236 0.000 1.107) 11.290 13.249 ( -1.323 0.000 11.127) 11.206 13.274 ( -9.165 0.000 -11.273) 14.528 14.009 ( -1.017 0.000 -0.189) 1.034 14.036 ( 1.417 0.000 1.765) 2.263 14.986 ( -4.191 0.000 13.383) 14.024 15.287 ( 1.810 0.000 -10.038) 10.200 ======================= Grid point 138 (70/88) ======================= q-point: (-0.17 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( -0.817 0.000 -0.348) 0.888 1.572 ( -13.896 0.000 14.835) 20.327 1.651 ( -3.899 0.000 -1.072) 4.044 1.695 ( 1.173 0.000 -1.924) 2.254 2.262 ( 8.343 0.000 -3.088) 8.896 2.418 ( 2.782 0.000 1.545) 3.182 2.578 ( -3.043 0.000 11.806) 12.192 2.616 ( 8.674 0.000 -0.517) 8.689 2.780 ( 0.626 0.000 5.137) 5.175 2.856 ( 2.439 0.000 2.819) 3.728 3.064 ( 1.487 0.000 -2.099) 2.572 3.068 ( -4.539 0.000 9.763) 10.767 3.207 ( -6.581 0.000 -8.730) 10.932 3.337 ( -5.439 0.000 -1.235) 5.577 3.580 ( 8.173 0.000 1.844) 8.378 3.750 ( -8.991 0.000 -4.134) 9.896 3.791 ( -3.573 0.000 4.267) 5.566 3.894 ( -5.477 0.000 -6.593) 8.571 4.060 ( 3.567 0.000 -1.486) 3.864 4.182 ( 5.083 0.000 -4.547) 6.820 4.368 ( 0.210 0.000 1.878) 1.889 4.419 ( 4.307 0.000 -7.643) 8.773 5.063 ( 10.712 0.000 4.270) 11.532 5.342 ( 6.858 0.000 -1.684) 7.062 5.553 ( -5.469 0.000 7.135) 8.990 5.675 ( -0.417 0.000 10.249) 10.257 5.680 ( -7.666 0.000 0.190) 7.669 5.814 ( 3.343 0.000 -11.471) 11.948 6.141 ( -2.468 0.000 4.560) 5.185 6.158 ( 4.421 0.000 -1.388) 4.634 6.294 ( -1.450 0.000 -3.900) 4.161 6.377 ( -4.465 0.000 4.337) 6.225 6.569 ( 3.786 0.000 -3.764) 5.338 6.775 ( 2.383 0.000 0.346) 2.408 6.830 ( 2.342 0.000 -1.001) 2.547 6.843 ( -8.625 0.000 -1.650) 8.782 6.948 ( -3.918 0.000 -0.182) 3.922 7.123 ( -8.486 0.000 0.878) 8.532 7.522 ( -5.620 0.000 11.738) 13.014 7.697 ( 0.417 0.000 -6.289) 6.303 7.808 ( 5.417 0.000 -3.696) 6.557 7.824 ( 0.898 0.000 -0.489) 1.023 8.000 ( 6.739 0.000 -2.830) 7.309 8.119 ( 0.702 0.000 0.752) 1.029 8.530 ( 6.443 0.000 7.178) 9.646 8.704 ( 8.399 0.000 -7.202) 11.064 8.974 ( -4.661 0.000 -6.143) 7.711 8.984 ( -6.925 0.000 1.600) 7.107 11.639 ( -0.374 0.000 2.320) 2.350 11.671 ( -0.340 0.000 -0.806) 0.874 11.748 ( -1.642 0.000 5.641) 5.875 11.912 ( -0.421 0.000 -9.884) 9.893 12.355 ( 5.443 0.000 -0.149) 5.445 12.709 ( 8.346 0.000 -6.713) 10.710 13.055 ( -6.046 0.000 -2.152) 6.417 13.213 ( -5.599 0.000 9.036) 10.630 13.997 ( -0.258 0.000 1.257) 1.283 14.062 ( 0.972 0.000 -0.868) 1.303 14.961 ( -2.666 0.000 14.150) 14.399 15.276 ( 0.637 0.000 -10.495) 10.515 ======================= Grid point 139 (71/88) ======================= q-point: ( 0.00 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( -7.861 6.429 14.706) 17.872 1.541 ( -3.734 7.027 16.185) 18.036 1.693 ( 6.803 4.095 -9.580) 12.442 1.836 ( 2.669 8.249 -8.629) 12.232 2.327 ( -4.121 -2.767 -1.009) 5.065 2.375 ( 6.394 -3.565 -5.668) 9.258 2.701 ( 0.568 8.011 15.204) 17.195 2.805 ( 4.149 -2.566 5.978) 7.715 2.834 ( 4.607 1.150 4.871) 6.803 2.876 ( -4.217 -0.897 1.102) 4.450 2.947 ( -4.696 -0.858 -3.720) 6.052 3.026 ( -2.343 1.946 -11.150) 11.558 3.127 ( 4.613 -3.312 6.693) 8.778 3.232 ( -3.396 -4.735 -4.196) 7.180 3.551 ( -8.607 -7.624 4.515) 12.353 3.590 ( -3.878 2.089 4.139) 6.044 3.642 ( 5.991 -9.052 1.279) 10.930 3.915 ( 4.266 3.678 -15.612) 16.597 4.130 ( 1.260 2.563 2.749) 3.964 4.255 ( -0.637 2.128 -6.699) 7.058 4.407 ( -0.870 6.145 7.421) 9.674 4.568 ( 1.097 7.231 -7.334) 10.357 5.239 ( 8.969 -6.939 3.059) 11.745 5.298 ( -6.237 -4.170 -2.425) 7.885 5.457 ( -7.050 -1.208 6.185) 9.456 5.548 ( 4.321 -5.026 -0.325) 6.636 5.639 ( -0.048 -2.186 6.083) 6.464 5.833 ( 1.829 -2.746 -9.340) 9.905 6.136 ( -0.020 0.160 3.785) 3.788 6.194 ( -3.822 -2.310 0.578) 4.503 6.292 ( -0.220 1.753 -0.397) 1.811 6.335 ( 5.206 1.760 -2.047) 5.864 6.623 ( -1.025 -0.113 2.342) 2.558 6.667 ( -0.444 -2.251 -1.603) 2.799 6.807 ( -6.012 -0.365 1.903) 6.316 6.862 ( 5.153 -0.266 -3.224) 6.085 7.021 ( -0.611 5.894 2.012) 6.258 7.083 ( 1.294 9.704 -3.387) 10.359 7.504 ( -3.905 2.468 12.428) 13.258 7.707 ( 0.786 1.773 -2.427) 3.107 7.812 ( 1.814 -1.300 -3.926) 4.516 7.853 ( 0.920 -1.725 -5.220) 5.574 8.085 ( 0.863 0.100 0.466) 0.986 8.128 ( 0.193 0.878 -3.118) 3.246 8.654 ( 5.872 -2.741 7.340) 9.791 8.732 ( -9.076 -3.496 4.098) 10.554 8.847 ( -2.472 0.161 -4.395) 5.045 8.902 ( 2.372 1.620 -5.737) 6.416 11.636 ( -0.371 -0.364 2.303) 2.361 11.656 ( -0.240 -1.026 0.146) 1.064 11.703 ( -0.681 -2.703 4.138) 4.990 11.829 ( 0.356 -3.833 -7.247) 8.206 12.518 ( 3.235 2.104 2.572) 4.638 12.592 ( -6.752 -0.204 -3.745) 7.724 13.076 ( -5.620 -2.388 1.510) 6.290 13.122 ( 10.939 -4.798 -2.239) 12.153 14.059 ( -2.182 6.175 6.346) 9.120 14.179 ( 1.422 8.685 -4.884) 10.065 14.994 ( -0.254 1.242 12.515) 12.579 15.244 ( 0.494 -0.677 -10.656) 10.689 ======================= Grid point 140 (72/88) ======================= q-point: ( 0.17 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( -2.643 10.214 13.275) 16.957 1.572 ( 1.650 5.666 13.972) 15.167 1.778 ( 2.836 5.237 -7.050) 9.229 1.895 ( 6.207 3.568 -7.050) 10.048 2.261 ( -1.756 -1.217 -4.639) 5.107 2.449 ( 1.556 -4.702 -5.577) 7.458 2.669 ( -11.085 5.018 0.146) 12.169 2.750 ( -9.396 -0.568 -1.052) 9.472 2.829 ( 4.210 1.207 12.032) 12.804 2.856 ( 2.154 -0.991 2.646) 3.553 2.924 ( -2.939 -2.386 -4.627) 5.978 3.064 ( 4.590 0.211 4.966) 6.766 3.172 ( 2.963 -4.482 -5.395) 7.614 3.265 ( 2.821 -0.580 2.377) 3.734 3.459 ( 0.222 -5.949 4.176) 7.272 3.578 ( 1.358 5.205 12.064) 13.209 3.761 ( 3.380 -11.164 3.062) 12.060 3.957 ( 4.662 1.693 -16.693) 17.414 4.154 ( 0.200 0.587 -2.856) 2.922 4.207 ( -0.942 4.148 -3.727) 5.655 4.376 ( -4.713 9.350 7.496) 12.877 4.543 ( -0.929 4.461 -7.699) 8.946 5.131 ( -6.862 -1.305 -4.157) 8.129 5.282 ( -6.874 -0.776 2.348) 7.305 5.429 ( 1.938 -5.573 8.532) 10.373 5.618 ( -0.120 -6.240 5.242) 8.150 5.685 ( 4.512 -3.470 -2.647) 6.278 5.853 ( 2.740 -5.278 -8.218) 10.144 6.117 ( -1.204 -0.340 0.477) 1.339 6.182 ( 2.922 -1.895 3.462) 4.910 6.269 ( 0.420 1.812 -4.389) 4.767 6.479 ( 4.919 2.725 -0.831) 5.684 6.531 ( -4.652 2.361 0.687) 5.262 6.661 ( -2.318 -4.090 1.056) 4.818 6.751 ( -0.515 -1.196 3.349) 3.593 6.973 ( -0.305 8.944 0.161) 8.951 7.005 ( 6.663 2.450 -1.785) 7.320 7.189 ( 7.510 2.354 -2.024) 8.126 7.481 ( -2.165 0.829 10.322) 10.579 7.710 ( -0.285 0.794 -0.112) 0.851 7.773 ( -3.741 -2.127 -2.446) 4.950 7.864 ( 2.425 0.030 -7.273) 7.667 8.035 ( -2.139 2.377 -3.776) 4.948 8.159 ( -0.103 0.798 -0.455) 0.924 8.527 ( -11.114 -0.371 8.075) 13.743 8.705 ( -5.840 1.202 -6.553) 8.859 8.796 ( 5.089 -2.548 6.871) 8.922 9.012 ( 5.667 -0.819 -2.095) 6.097 11.636 ( -0.434 -0.266 2.748) 2.795 11.658 ( 0.322 -1.428 0.398) 1.517 11.710 ( -0.071 -2.109 4.080) 4.593 11.824 ( 1.491 -3.826 -5.832) 7.133 12.392 ( -7.098 1.240 0.395) 7.216 12.613 ( -0.625 2.381 2.124) 3.251 12.998 ( -0.727 -1.672 0.443) 1.876 13.316 ( 8.821 -7.235 -8.021) 13.945 14.032 ( -2.340 4.808 6.190) 8.179 14.183 ( 0.221 9.294 -3.169) 9.822 15.037 ( -0.000 1.078 11.490) 11.541 15.230 ( 1.869 -0.502 -10.709) 10.882 ======================= Grid point 141 (73/88) ======================= q-point: ( 0.33 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( 7.234 6.265 11.859) 15.239 1.679 ( 3.913 4.484 7.701) 9.732 1.776 ( -0.497 5.270 -1.319) 5.455 2.027 ( 7.147 2.087 -0.820) 7.490 2.181 ( -3.415 -0.281 -13.523) 13.950 2.366 ( -8.429 -4.159 -1.695) 9.551 2.436 ( -11.094 4.667 0.437) 12.044 2.550 ( -6.819 3.071 -3.343) 8.192 2.825 ( -0.350 -6.661 -3.611) 7.585 2.947 ( 1.837 -0.853 9.132) 9.354 2.985 ( -0.074 -3.852 1.945) 4.316 3.072 ( 2.121 2.139 -1.637) 3.429 3.237 ( 4.579 4.747 7.062) 9.663 3.409 ( 9.621 -5.344 2.304) 11.244 3.529 ( 2.720 -5.659 2.435) 6.735 3.716 ( 6.203 5.722 10.996) 13.861 3.779 ( -2.665 -8.394 6.931) 11.207 3.974 ( 1.753 0.498 -12.900) 13.028 4.089 ( -4.082 1.235 -6.502) 7.776 4.193 ( -1.421 3.454 -6.212) 7.248 4.305 ( -2.578 9.531 6.557) 11.853 4.497 ( -0.188 3.946 -8.531) 9.401 5.022 ( -1.899 0.115 -4.207) 4.617 5.131 ( -7.902 0.247 1.446) 8.037 5.486 ( 0.293 -0.498 14.402) 14.413 5.622 ( -0.461 -7.155 2.822) 7.705 5.708 ( -1.651 -6.012 -0.769) 6.282 5.882 ( 3.256 -4.971 -11.457) 12.906 6.151 ( 3.145 -0.375 -1.266) 3.411 6.253 ( -0.206 0.715 -2.488) 2.597 6.287 ( 4.459 -2.304 1.096) 5.138 6.458 ( -2.986 -0.145 0.134) 2.993 6.513 ( 0.899 -0.616 0.958) 1.451 6.646 ( -0.857 -0.335 1.536) 1.790 6.757 ( 0.928 0.031 2.970) 3.112 6.929 ( -3.063 9.302 0.446) 9.803 7.173 ( 7.670 1.234 0.499) 7.785 7.330 ( 6.441 -2.563 -3.217) 7.642 7.486 ( -0.634 -1.656 6.564) 6.799 7.667 ( -2.395 -2.530 -4.010) 5.312 7.719 ( -0.852 -2.242 1.620) 2.895 7.880 ( -0.670 4.256 -5.352) 6.871 7.988 ( 0.362 3.869 -4.230) 5.744 8.105 ( -4.530 3.475 0.337) 5.719 8.380 ( -6.114 1.860 10.229) 12.061 8.587 ( -2.475 2.008 -9.114) 9.655 8.914 ( 4.055 -2.551 6.688) 8.227 9.090 ( 2.568 -1.624 -2.340) 3.836 11.637 ( -0.469 -0.250 3.145) 3.190 11.668 ( 0.502 -1.341 0.258) 1.455 11.722 ( -0.349 -1.935 4.426) 4.843 11.847 ( 2.576 -4.963 -6.152) 8.314 12.302 ( -1.838 2.732 1.835) 3.769 12.532 ( -5.726 3.956 -1.748) 7.176 13.048 ( 3.181 -3.823 5.205) 7.199 13.406 ( 3.167 -8.688 -12.482) 15.534 14.021 ( -0.544 5.177 6.731) 8.509 14.168 ( -0.754 8.902 -1.628) 9.081 15.059 ( -1.858 1.087 11.214) 11.419 15.246 ( 3.108 -0.152 -10.484) 10.936 ======================= Grid point 142 (74/88) ======================= q-point: (-0.50 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( 3.260 1.086 12.015) 12.497 1.711 ( 2.854 0.538 4.733) 5.553 1.798 ( 0.583 5.607 -0.075) 5.637 1.971 ( -7.000 1.820 -11.203) 13.335 2.158 ( -8.865 2.152 4.175) 10.033 2.216 ( 2.020 -0.299 -1.358) 2.452 2.308 ( 3.335 7.018 2.889) 8.290 2.465 ( 0.206 2.004 -9.379) 9.593 2.853 ( 2.572 -6.970 2.290) 7.775 2.888 ( -6.086 -5.241 1.822) 8.235 2.983 ( -0.429 -0.072 3.394) 3.422 3.130 ( 2.966 4.493 -4.457) 6.989 3.427 ( 6.878 1.806 12.307) 14.214 3.499 ( -4.880 -4.649 3.773) 7.724 3.597 ( 1.355 -5.412 -0.926) 5.655 3.670 ( -2.679 -4.734 3.095) 6.258 3.885 ( -1.060 3.245 10.146) 10.705 3.946 ( 2.226 1.043 -0.433) 2.496 3.997 ( 0.003 0.882 -9.839) 9.878 4.122 ( -1.539 5.606 -8.698) 10.461 4.321 ( 1.551 4.548 2.214) 5.291 4.484 ( 1.876 6.751 -10.510) 12.632 4.983 ( -5.452 -0.343 2.229) 5.900 5.045 ( 4.174 0.398 -3.380) 5.386 5.538 ( -0.747 -0.928 16.288) 16.332 5.621 ( -1.648 -7.149 4.326) 8.516 5.676 ( 0.500 -4.355 -1.137) 4.528 5.884 ( 1.219 -2.699 -15.087) 15.375 6.190 ( 0.188 -0.001 1.772) 1.782 6.214 ( -2.896 -0.254 -0.263) 2.919 6.358 ( 2.108 -0.434 2.060) 2.979 6.384 ( -3.614 -2.000 -0.300) 4.142 6.578 ( 0.900 -2.748 2.361) 3.733 6.610 ( 0.285 -2.784 -0.490) 2.842 6.835 ( 4.010 2.268 0.902) 4.694 6.865 ( -1.106 7.338 -1.690) 7.611 7.264 ( -1.066 -1.239 3.587) 3.942 7.389 ( 0.034 -0.169 -6.056) 6.058 7.504 ( 1.869 -4.956 4.652) 7.050 7.638 ( 0.958 -3.876 -6.013) 7.218 7.712 ( -1.572 -0.571 4.429) 4.734 7.836 ( 1.287 3.725 -5.862) 7.064 7.973 ( -6.526 5.172 4.418) 9.427 8.052 ( 3.529 6.370 -3.414) 8.043 8.344 ( -0.725 1.893 8.218) 8.464 8.554 ( 2.511 2.428 -10.409) 10.979 9.000 ( 2.187 -2.526 5.144) 6.134 9.101 ( -0.321 -1.749 -3.974) 4.353 11.637 ( -0.520 -0.172 3.043) 3.092 11.677 ( 0.255 -1.082 -0.030) 1.112 11.724 ( -0.998 -2.430 4.964) 5.616 11.874 ( 2.121 -5.905 -8.009) 10.174 12.335 ( 3.962 3.270 3.587) 6.266 12.420 ( -3.424 5.125 -4.473) 7.615 13.123 ( 1.185 -6.295 9.194) 11.206 13.362 ( -2.608 -8.078 -13.506) 15.952 14.053 ( 0.867 6.001 6.648) 8.997 14.146 ( -0.653 8.424 -2.011) 8.685 15.040 ( -3.662 1.185 11.689) 12.307 15.275 ( 2.952 0.000 -10.158) 10.578 ======================= Grid point 143 (75/88) ======================= q-point: (-0.33 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( -7.118 0.488 5.779) 9.182 1.723 ( -5.183 3.039 -3.958) 7.195 1.804 ( -7.562 3.426 15.708) 17.767 1.867 ( -0.837 6.570 -8.127) 10.484 2.097 ( 6.158 0.102 -0.483) 6.178 2.288 ( 5.623 2.156 3.647) 7.040 2.473 ( 7.475 3.779 -0.765) 8.411 2.517 ( 7.697 0.799 -2.389) 8.099 2.774 ( -4.437 -6.453 1.293) 7.937 2.927 ( 0.625 -2.882 8.192) 8.707 2.958 ( -1.559 0.343 -0.767) 1.772 3.156 ( -0.259 4.253 -1.164) 4.417 3.356 ( -7.305 -2.862 -1.593) 8.005 3.435 ( -8.181 -0.197 4.495) 9.337 3.502 ( -3.429 -1.922 3.409) 5.203 3.749 ( 2.209 -6.131 1.557) 6.700 3.828 ( -3.577 -4.894 2.626) 6.606 3.961 ( -0.649 1.296 -9.359) 9.470 4.050 ( 2.348 3.484 -0.329) 4.214 4.118 ( 5.191 5.005 -2.603) 7.667 4.363 ( 1.364 3.119 1.914) 3.905 4.502 ( 3.598 9.538 -10.061) 14.323 4.930 ( 0.272 -0.228 3.926) 3.942 5.171 ( 7.929 -0.942 -1.768) 8.178 5.566 ( -1.720 -4.223 12.364) 13.178 5.586 ( -2.109 -4.586 4.137) 6.526 5.701 ( -0.282 -4.786 1.642) 5.068 5.843 ( 0.504 -0.657 -14.008) 14.032 6.136 ( -3.438 -1.073 0.860) 3.702 6.187 ( -1.421 0.914 3.730) 4.095 6.308 ( -2.898 -2.839 -1.069) 4.195 6.417 ( 1.975 0.819 3.101) 3.767 6.551 ( -0.671 0.434 -1.182) 1.427 6.653 ( 0.951 -3.779 0.352) 3.912 6.820 ( 0.203 0.773 -2.028) 2.180 6.953 ( 4.057 4.787 -1.728) 6.508 7.156 ( -8.865 -1.350 1.465) 9.086 7.303 ( -6.356 4.581 -0.331) 7.842 7.597 ( 4.933 -2.896 2.159) 6.114 7.625 ( -1.392 -4.251 -2.442) 5.097 7.720 ( 1.047 0.281 -0.532) 1.207 7.826 ( -1.210 3.101 -0.577) 3.378 7.925 ( 2.251 2.972 0.217) 3.735 8.126 ( 3.907 5.124 -1.850) 6.704 8.396 ( 3.067 0.447 7.151) 7.794 8.606 ( 5.461 1.744 -9.030) 10.696 9.021 ( -1.991 -2.926 0.611) 3.591 9.061 ( -1.584 -1.104 -3.613) 4.096 11.637 ( -0.513 -0.202 2.615) 2.673 11.677 ( -0.269 -0.719 -0.355) 0.846 11.717 ( -1.294 -3.164 5.149) 6.180 11.875 ( 0.912 -5.684 -9.120) 10.784 12.362 ( 0.431 5.257 -3.565) 6.366 12.497 ( 9.569 1.920 1.907) 9.944 13.124 ( -5.207 -8.205 6.199) 11.527 13.247 ( -3.571 -4.864 -6.401) 8.797 14.077 ( -0.666 6.777 4.775) 8.317 14.142 ( 1.171 8.192 -2.135) 8.547 15.000 ( -3.963 1.281 12.329) 13.014 15.288 ( 1.656 -0.190 -10.023) 10.160 ======================= Grid point 144 (76/88) ======================= q-point: (-0.17 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( -3.317 2.656 10.603) 11.422 1.608 ( -5.465 4.152 0.947) 6.928 1.671 ( -5.685 5.152 7.928) 11.032 1.834 ( 0.338 9.088 -7.425) 11.740 2.248 ( 7.501 -1.215 -3.377) 8.316 2.391 ( 0.564 -1.185 0.419) 1.378 2.609 ( 6.702 -0.564 2.734) 7.260 2.667 ( 4.365 3.335 5.460) 7.745 2.765 ( 2.365 -2.236 4.797) 5.797 2.865 ( -2.215 4.231 4.010) 6.236 3.008 ( 2.870 -4.362 4.444) 6.857 3.081 ( -6.342 1.008 2.246) 6.803 3.200 ( -7.570 -0.911 -6.557) 10.056 3.329 ( -3.599 -0.921 -4.472) 5.813 3.495 ( 4.225 -6.851 1.133) 8.128 3.709 ( -5.888 -2.484 2.527) 6.872 3.720 ( -7.948 -6.995 3.962) 11.305 3.914 ( 0.741 3.622 -14.020) 14.500 4.088 ( 2.204 2.420 0.285) 3.286 4.237 ( 4.688 3.235 -2.531) 6.233 4.385 ( 0.289 3.329 4.121) 5.305 4.549 ( 3.269 9.195 -7.598) 12.368 5.032 ( 7.849 -2.530 4.984) 9.636 5.319 ( 5.681 -2.632 -0.663) 6.296 5.514 ( -3.577 -3.808 1.115) 5.342 5.607 ( 0.366 -4.849 8.827) 10.077 5.621 ( -7.495 -4.412 3.194) 9.265 5.832 ( 1.908 -0.270 -10.296) 10.475 6.127 ( 1.098 -1.043 1.550) 2.166 6.182 ( 1.716 2.109 1.572) 3.140 6.256 ( -1.711 -2.507 -2.128) 3.707 6.415 ( -4.671 1.809 4.014) 6.419 6.564 ( 2.917 -0.580 -1.151) 3.190 6.675 ( 1.726 -4.630 -0.509) 4.967 6.829 ( 0.677 -1.511 -3.291) 3.684 6.959 ( -8.957 4.201 1.096) 9.954 6.994 ( 0.529 4.957 -0.426) 5.003 7.167 ( -6.187 6.661 -0.760) 9.122 7.556 ( -4.980 2.661 9.949) 11.439 7.692 ( 1.958 -0.834 -1.220) 2.453 7.749 ( 4.553 -1.906 -5.177) 7.153 7.843 ( 1.786 -0.452 -3.460) 3.920 7.998 ( 4.776 0.708 -0.569) 4.862 8.166 ( -0.122 3.066 -1.358) 3.355 8.510 ( 5.470 -1.664 7.016) 9.051 8.708 ( 6.640 -0.019 -4.095) 7.801 8.928 ( -5.582 -2.705 -4.227) 7.506 9.000 ( -4.243 0.046 -2.488) 4.919 11.635 ( -0.398 -0.377 2.212) 2.279 11.666 ( -0.613 -0.631 -0.174) 0.896 11.708 ( -1.212 -3.226 4.573) 5.726 11.853 ( 0.148 -4.769 -8.771) 9.985 12.407 ( 4.756 4.440 -1.515) 6.681 12.688 ( 5.357 -1.553 -3.690) 6.688 12.995 ( -3.422 -4.559 1.763) 5.966 13.176 ( -4.331 -3.963 2.967) 6.578 14.073 ( -1.154 7.225 4.833) 8.768 14.163 ( 1.523 8.107 -3.376) 8.913 14.976 ( -2.403 1.317 12.813) 13.102 15.274 ( 0.418 -0.508 -10.264) 10.285 ======================= Grid point 145 (77/88) ======================= q-point: ( 0.00 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.585 ( -1.276 9.969 14.494) 17.637 1.727 ( -4.841 10.032 13.869) 17.788 1.846 ( 5.872 9.314 -9.364) 14.454 2.004 ( 0.470 6.871 -9.149) 11.452 2.253 ( -2.691 -4.445 -0.636) 5.235 2.296 ( 3.736 -3.535 -5.739) 7.707 2.718 ( 2.061 -2.780 5.564) 6.552 2.753 ( 0.713 -2.296 1.926) 3.080 2.817 ( 1.592 -1.467 4.464) 4.961 2.896 ( -3.352 -3.152 -0.297) 4.611 3.007 ( 4.812 -1.227 0.923) 5.051 3.032 ( -0.974 -1.278 -3.907) 4.225 3.091 ( 0.197 4.398 5.096) 6.735 3.172 ( -7.507 3.131 -5.846) 10.016 3.388 ( 2.929 -8.947 1.708) 9.568 3.434 ( -3.204 -6.353 -3.315) 7.849 3.695 ( -2.793 6.314 11.221) 13.175 4.017 ( 3.460 6.102 -14.433) 16.047 4.148 ( -0.580 -1.144 5.152) 5.310 4.278 ( 0.586 -0.034 -6.067) 6.095 4.569 ( 0.778 8.278 8.239) 11.705 4.713 ( -1.133 5.771 -5.130) 7.804 5.094 ( 5.658 -6.648 4.760) 9.943 5.187 ( -3.281 -6.731 -3.384) 8.218 5.413 ( -2.660 -2.520 3.419) 5.012 5.461 ( -0.669 -1.274 0.729) 1.613 5.569 ( 0.642 -4.473 5.879) 7.415 5.755 ( 0.463 -4.932 -9.313) 10.548 6.120 ( -0.734 -1.285 3.756) 4.037 6.154 ( -4.257 -1.793 1.939) 5.010 6.309 ( -0.433 -0.257 -0.744) 0.898 6.351 ( 6.488 -0.669 -3.108) 7.225 6.598 ( -1.005 -0.750 1.428) 1.900 6.626 ( 1.958 -0.050 -0.911) 2.160 6.789 ( -5.990 -2.312 1.711) 6.645 6.848 ( 6.330 -2.113 -3.774) 7.667 7.194 ( -0.256 9.834 5.674) 11.357 7.323 ( -0.987 11.815 -6.246) 13.401 7.570 ( -5.396 3.289 11.614) 13.222 7.733 ( -0.860 0.022 3.621) 3.722 7.797 ( 5.177 0.585 -7.245) 8.923 7.845 ( 0.400 1.061 -7.689) 7.772 8.086 ( 2.470 -0.016 0.954) 2.648 8.130 ( -2.058 -0.728 -2.600) 3.395 8.592 ( 4.607 -2.690 7.459) 9.171 8.658 ( -5.675 -3.603 4.942) 8.343 8.846 ( -1.138 -0.218 -5.047) 5.178 8.909 ( 0.625 -0.988 -7.395) 7.487 11.608 ( -0.722 -1.879 2.888) 3.520 11.638 ( 0.345 -0.748 -0.203) 0.848 11.653 ( -0.448 -1.641 1.884) 2.538 11.741 ( 0.729 -4.036 -6.061) 7.319 12.570 ( -3.894 2.778 2.140) 5.240 12.612 ( 1.119 2.141 -1.868) 3.054 12.998 ( -0.409 -5.246 -0.892) 5.337 13.005 ( 5.242 -5.362 -1.901) 7.736 14.239 ( -3.528 9.986 8.326) 13.472 14.367 ( 1.433 8.355 -3.177) 9.053 15.022 ( 0.204 1.401 8.040) 8.164 15.211 ( 0.468 -2.646 -8.865) 9.263 ======================= Grid point 146 (78/88) ======================= q-point: ( 0.17 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( -2.782 12.806 9.367) 16.108 1.725 ( 0.727 8.466 14.723) 16.999 1.916 ( 3.532 7.095 -13.737) 15.859 1.977 ( 1.057 3.657 -3.438) 5.130 2.231 ( -0.092 -1.830 -3.140) 3.636 2.343 ( 0.819 -5.174 -2.236) 5.696 2.676 ( -5.568 -1.576 -1.580) 5.998 2.770 ( -6.139 0.439 0.840) 6.212 2.791 ( -4.919 -2.411 -2.484) 6.016 2.806 ( 2.957 -4.638 3.996) 6.799 2.953 ( -5.883 -1.195 1.897) 6.296 3.049 ( 3.032 1.959 -3.457) 4.999 3.150 ( 6.463 3.861 6.931) 10.233 3.277 ( 8.055 0.681 -0.610) 8.107 3.334 ( 0.118 -4.693 -0.869) 4.775 3.522 ( 4.501 -10.911 2.618) 12.089 3.707 ( 0.687 6.903 13.022) 14.754 4.040 ( 3.021 5.854 -13.842) 15.329 4.129 ( -1.888 -2.783 0.493) 3.399 4.266 ( -0.117 1.613 -3.584) 3.932 4.577 ( -2.901 8.327 7.822) 11.787 4.662 ( -1.507 7.162 -5.102) 8.922 5.090 ( -3.726 -3.171 -4.581) 6.702 5.222 ( 2.332 -7.004 1.446) 7.522 5.319 ( -2.970 -2.336 3.890) 5.423 5.492 ( -0.857 -3.968 9.496) 10.327 5.588 ( 0.196 -6.105 -0.463) 6.125 5.742 ( 1.346 -5.243 -7.458) 9.215 6.089 ( -1.224 -1.707 1.581) 2.629 6.137 ( 1.699 -2.408 3.543) 4.608 6.302 ( 0.543 1.263 -3.813) 4.053 6.454 ( 0.428 -3.825 -1.393) 4.093 6.567 ( 1.111 0.975 -0.966) 1.766 6.647 ( -1.780 1.377 -0.361) 2.279 6.735 ( 1.122 0.315 2.134) 2.431 6.995 ( 8.721 -2.865 -4.016) 10.020 7.196 ( -0.899 9.858 1.237) 9.976 7.294 ( -1.386 8.193 3.230) 8.915 7.502 ( -4.062 0.376 5.042) 6.485 7.697 ( -3.058 -2.468 3.618) 5.342 7.757 ( -4.514 2.197 -3.352) 6.036 7.908 ( 6.135 2.802 -7.502) 10.088 8.067 ( -1.089 0.784 -3.297) 3.560 8.164 ( 1.667 -0.630 0.561) 1.869 8.525 ( -6.587 0.598 5.850) 8.830 8.706 ( -0.006 -2.381 2.545) 3.485 8.763 ( 0.345 0.841 -2.294) 2.467 8.973 ( 4.480 -3.079 -3.557) 6.496 11.605 ( -0.635 -2.058 3.205) 3.862 11.645 ( 0.430 0.194 0.243) 0.531 11.663 ( 0.748 -2.663 1.121) 2.985 11.737 ( 0.790 -3.676 -5.359) 6.546 12.453 ( -5.462 4.385 2.773) 7.533 12.650 ( -0.200 0.930 0.535) 1.091 12.955 ( -0.454 -2.199 -2.491) 3.354 13.136 ( 6.092 -9.118 -6.386) 12.690 14.194 ( -3.333 9.605 8.936) 13.535 14.370 ( -0.468 7.731 -1.084) 7.821 15.061 ( 0.755 1.204 6.888) 7.033 15.207 ( 2.091 -1.868 -8.818) 9.253 ======================= Grid point 147 (79/88) ======================= q-point: ( 0.33 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( 2.450 10.073 8.991) 13.723 1.789 ( -0.860 5.788 8.716) 10.498 1.890 ( 0.276 4.717 -6.424) 7.974 2.067 ( 5.889 0.547 -3.292) 6.769 2.184 ( -1.742 0.435 -9.974) 10.135 2.279 ( -6.383 -2.831 3.688) 7.897 2.541 ( -6.512 3.059 -1.828) 7.423 2.641 ( -4.876 5.342 1.624) 7.413 2.693 ( -2.124 -3.919 -4.617) 6.418 2.870 ( -5.256 -5.596 6.794) 10.252 2.905 ( 3.911 -3.988 1.727) 5.847 3.115 ( 4.886 1.707 -6.084) 7.987 3.310 ( 3.425 -0.023 -0.079) 3.426 3.338 ( 7.452 -0.242 3.669) 8.310 3.452 ( 3.709 -0.461 2.486) 4.488 3.598 ( 1.969 -8.911 6.031) 10.939 3.823 ( 5.909 4.685 11.966) 14.144 4.020 ( -1.278 3.562 -8.596) 9.392 4.080 ( -2.558 -1.430 -6.562) 7.187 4.241 ( -1.077 1.001 -4.496) 4.731 4.523 ( -4.526 10.105 9.136) 14.355 4.637 ( 1.346 9.504 -6.467) 11.575 5.015 ( -1.719 -0.726 -3.029) 3.557 5.145 ( -5.750 0.444 -1.680) 6.007 5.386 ( 3.240 -9.381 7.612) 12.508 5.474 ( -4.203 -6.359 12.499) 14.640 5.583 ( 0.510 -4.647 -3.816) 6.035 5.756 ( 2.560 -6.826 -8.737) 11.379 6.122 ( 3.389 -1.570 -0.231) 3.742 6.221 ( 5.278 -3.218 1.883) 6.462 6.284 ( -1.423 1.344 -2.652) 3.296 6.401 ( -3.713 -3.287 0.058) 4.959 6.554 ( -1.576 2.084 0.413) 2.646 6.634 ( -1.344 0.635 0.112) 1.491 6.794 ( 3.759 2.471 3.141) 5.487 7.115 ( -2.590 1.278 -5.016) 5.788 7.170 ( 4.650 2.824 -0.189) 5.444 7.316 ( 1.754 3.547 8.000) 8.925 7.426 ( -3.984 -3.364 -0.505) 5.239 7.654 ( -1.989 -1.382 -2.942) 3.811 7.694 ( -0.099 1.864 1.668) 2.504 7.928 ( -3.157 -0.301 -4.126) 5.204 8.077 ( 4.434 4.564 -4.140) 7.592 8.174 ( -0.736 2.280 0.030) 2.396 8.443 ( -4.376 4.350 9.087) 10.983 8.637 ( -1.476 2.359 -8.150) 8.612 8.853 ( 3.922 -2.783 5.495) 7.302 9.032 ( 2.453 -3.927 -3.720) 5.939 11.605 ( -0.512 -2.215 3.541) 4.208 11.656 ( 0.373 0.121 0.164) 0.425 11.684 ( 0.797 -2.360 0.773) 2.608 11.737 ( 1.021 -4.277 -5.105) 6.738 12.392 ( -1.346 5.554 3.745) 6.832 12.603 ( -3.390 2.290 -2.182) 4.636 12.961 ( 0.655 -3.828 1.732) 4.252 13.192 ( 2.116 -10.788 -10.101) 14.929 14.182 ( -0.811 9.170 9.308) 13.091 14.348 ( -1.285 7.376 -0.028) 7.487 15.086 ( -0.883 1.491 6.926) 7.140 15.231 ( 3.057 -1.480 -9.014) 9.633 ======================= Grid point 148 (80/88) ======================= q-point: (-0.50 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.714 ( -5.511 4.429 9.460) 11.810 1.761 ( 6.742 5.294 7.393) 11.320 1.896 ( -0.060 3.373 -3.128) 4.600 2.014 ( -3.783 1.145 -11.294) 11.965 2.163 ( -6.487 0.013 3.378) 7.314 2.250 ( 6.782 0.534 -3.593) 7.693 2.456 ( 0.085 6.445 4.141) 7.661 2.569 ( -1.630 8.207 -4.684) 9.589 2.699 ( 0.641 -7.099 4.668) 8.521 2.776 ( -4.187 -4.501 3.551) 7.099 2.953 ( 0.286 -2.847 3.082) 4.206 3.165 ( 2.806 -1.590 -11.267) 11.720 3.399 ( 1.179 -4.008 0.426) 4.199 3.423 ( 1.337 0.336 -2.448) 2.810 3.530 ( 2.710 -4.541 9.193) 10.605 3.633 ( -0.092 1.893 3.875) 4.314 3.914 ( -8.263 0.449 2.426) 8.624 3.986 ( 3.569 0.193 1.665) 3.943 4.021 ( 3.389 3.254 -3.253) 5.714 4.188 ( -1.704 0.655 -8.457) 8.652 4.482 ( -2.175 10.439 8.470) 13.617 4.671 ( 3.907 10.434 -8.419) 13.965 4.983 ( -3.814 0.397 2.999) 4.868 5.063 ( 1.618 1.067 -4.053) 4.492 5.434 ( -3.058 -8.367 11.148) 14.270 5.452 ( 0.837 -8.272 6.794) 10.737 5.597 ( 1.420 -3.339 -1.712) 4.013 5.769 ( 1.838 -8.208 -11.748) 14.449 6.187 ( 1.901 0.022 1.976) 2.742 6.219 ( -4.075 0.924 -0.943) 4.284 6.320 ( -2.877 -2.304 0.412) 3.709 6.337 ( 3.796 -3.303 -0.578) 5.065 6.552 ( 0.274 1.250 2.550) 2.853 6.589 ( -1.161 0.698 -0.437) 1.423 6.892 ( 2.709 1.818 5.360) 6.275 6.987 ( -4.947 2.095 -2.229) 5.817 7.240 ( -2.349 -0.041 3.380) 4.116 7.353 ( 2.776 -2.536 -6.557) 7.559 7.434 ( 4.430 -0.332 5.324) 6.934 7.609 ( -0.033 0.877 -9.528) 9.568 7.704 ( -1.864 -0.174 7.299) 7.535 7.879 ( 2.552 0.113 -7.948) 8.348 8.096 ( -5.432 5.685 4.156) 8.893 8.171 ( 2.874 4.192 -3.575) 6.214 8.405 ( -2.150 4.348 9.292) 10.482 8.616 ( 1.922 2.956 -8.651) 9.342 8.933 ( 2.040 -3.527 4.025) 5.727 9.045 ( 0.441 -3.555 -5.469) 6.538 11.608 ( -0.408 -2.369 3.568) 4.302 11.657 ( -0.384 -0.509 0.379) 0.741 11.693 ( -0.171 -0.866 0.474) 1.002 11.745 ( 1.483 -5.515 -5.580) 7.985 12.426 ( 3.165 5.122 4.461) 7.493 12.527 ( -2.313 4.722 -4.939) 7.214 12.978 ( -0.701 -6.749 6.470) 9.376 13.161 ( -1.174 -10.299 -10.595) 14.822 14.216 ( 0.734 8.746 8.699) 12.357 14.326 ( -0.604 7.823 -1.014) 7.912 15.073 ( -2.764 1.928 7.761) 8.461 15.259 ( 2.481 -1.806 -9.048) 9.554 ======================= Grid point 149 (81/88) ======================= q-point: (-0.33 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.613 ( -5.584 5.228 11.469) 13.786 1.802 ( -4.061 4.787 -3.850) 7.364 1.918 ( -3.201 6.938 10.986) 13.382 1.982 ( 2.834 3.011 -8.942) 9.852 2.092 ( 4.276 -0.810 -1.499) 4.603 2.359 ( 4.246 1.377 -0.972) 4.568 2.513 ( 2.882 2.639 -0.978) 4.028 2.605 ( 5.738 4.857 2.212) 7.836 2.637 ( -4.403 -3.084 4.604) 7.078 2.816 ( 3.354 -5.749 5.002) 8.326 2.951 ( -1.306 -2.876 2.790) 4.215 3.170 ( 1.791 -3.549 -11.766) 12.419 3.313 ( -5.678 -2.191 -0.081) 6.087 3.424 ( -4.846 1.507 -3.856) 6.373 3.479 ( -5.754 -2.838 0.662) 6.450 3.697 ( 1.500 2.052 8.644) 9.010 3.740 ( -7.604 -1.584 1.042) 7.837 4.015 ( 0.772 2.738 -2.213) 3.604 4.097 ( 1.509 0.880 -4.004) 4.368 4.184 ( 4.537 0.939 -1.917) 5.014 4.484 ( -0.350 8.591 6.331) 10.678 4.715 ( 2.911 9.911 -8.123) 13.141 4.927 ( -1.162 0.008 4.333) 4.486 5.143 ( 5.027 -1.945 -0.241) 5.395 5.437 ( -0.031 -7.340 7.825) 10.729 5.476 ( -0.619 -5.274 3.556) 6.391 5.594 ( -1.694 -5.106 0.768) 5.434 5.765 ( 2.249 -6.611 -11.870) 13.772 6.129 ( -3.287 0.716 -0.419) 3.390 6.212 ( -0.207 1.015 3.728) 3.869 6.255 ( -2.530 -1.710 -1.529) 3.415 6.406 ( 2.395 -2.015 0.249) 3.140 6.548 ( -0.601 -0.687 1.936) 2.140 6.608 ( 0.768 -0.063 1.255) 1.473 6.833 ( -4.264 0.560 -0.092) 4.301 6.997 ( -0.682 -3.801 4.510) 5.938 7.171 ( -2.101 5.774 -0.192) 6.147 7.390 ( 0.723 0.201 -0.209) 0.779 7.547 ( 4.409 2.718 -1.127) 5.301 7.597 ( 3.149 0.734 -6.940) 7.656 7.714 ( 2.246 -0.498 0.355) 2.327 7.921 ( -1.746 2.768 -2.016) 3.844 7.981 ( -2.320 4.034 3.498) 5.822 8.209 ( 1.740 1.905 -2.937) 3.910 8.419 ( 0.345 2.186 8.113) 8.409 8.638 ( 2.322 0.731 -4.717) 5.308 8.948 ( -1.272 -3.416 -1.718) 4.030 9.024 ( -0.471 -2.448 -4.988) 5.577 11.612 ( -0.420 -2.453 3.372) 4.191 11.646 ( -0.733 -0.892 0.547) 1.278 11.683 ( -0.837 -0.531 0.355) 1.053 11.752 ( 1.075 -5.481 -6.100) 8.271 12.485 ( 0.693 6.140 -4.526) 7.659 12.547 ( 6.394 2.692 2.751) 7.464 12.958 ( -3.892 -7.102 6.418) 10.333 13.099 ( -1.506 -8.461 -6.067) 10.520 14.253 ( -0.046 9.065 7.267) 11.618 14.323 ( 0.995 8.203 -2.269) 8.569 15.036 ( -3.283 2.134 8.475) 9.336 15.264 ( 0.986 -2.454 -8.861) 9.248 ======================= Grid point 150 (82/88) ======================= q-point: (-0.17 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( -3.171 6.985 16.366) 18.075 1.748 ( 0.141 8.189 -0.230) 8.193 1.829 ( -4.433 8.920 2.927) 10.382 2.004 ( 2.127 5.429 -7.736) 9.687 2.221 ( 5.538 -1.055 -3.053) 6.411 2.351 ( -4.403 -3.808 -2.052) 6.172 2.606 ( 5.665 1.358 3.264) 6.677 2.679 ( 6.582 -0.887 4.933) 8.273 2.723 ( 3.470 0.603 4.549) 5.753 2.891 ( 2.722 -6.261 3.115) 7.504 2.930 ( -0.754 -2.246 0.461) 2.413 3.128 ( -3.069 -2.052 -10.110) 10.763 3.200 ( -8.433 3.677 4.676) 10.320 3.289 ( -1.287 -1.760 -0.903) 2.360 3.366 ( -4.813 -3.515 -5.177) 7.894 3.585 ( -7.477 -4.945 -3.805) 9.738 3.717 ( -2.833 4.341 12.140) 13.200 4.009 ( 1.581 5.005 -10.668) 11.889 4.124 ( 1.385 0.236 1.460) 2.027 4.264 ( 3.071 -0.837 -3.824) 4.975 4.514 ( 1.134 8.400 7.678) 11.437 4.732 ( 1.094 7.385 -5.994) 9.574 4.975 ( 3.734 -2.702 5.481) 7.161 5.223 ( 1.511 -6.642 1.375) 6.950 5.420 ( -1.865 -4.194 -3.640) 5.859 5.487 ( 0.831 -4.885 4.207) 6.500 5.563 ( -2.810 -1.880 7.309) 8.053 5.770 ( 1.772 -5.473 -11.366) 12.739 6.112 ( 0.955 -0.225 0.716) 1.215 6.206 ( -1.432 -1.816 -2.396) 3.330 6.231 ( 1.885 1.836 2.085) 3.357 6.405 ( -4.518 -2.885 3.305) 6.298 6.541 ( 1.495 -0.647 0.979) 1.900 6.634 ( 1.070 0.116 0.751) 1.312 6.786 ( 0.191 -2.091 -2.618) 3.356 6.919 ( -6.593 -4.493 2.766) 8.445 7.173 ( 0.713 9.251 2.399) 9.584 7.371 ( -1.646 9.177 -3.280) 9.883 7.601 ( 1.391 2.352 1.173) 2.973 7.688 ( 4.182 1.307 1.354) 4.586 7.753 ( 0.277 1.489 -0.331) 1.551 7.841 ( 0.255 0.912 -5.500) 5.581 8.020 ( 2.569 1.042 0.610) 2.838 8.204 ( -1.984 -0.081 -2.743) 3.386 8.477 ( 3.141 -0.909 7.518) 8.198 8.680 ( 1.811 -3.077 2.435) 4.321 8.883 ( -2.527 -1.156 -7.746) 8.229 8.981 ( -2.527 -1.812 -4.725) 5.657 11.612 ( -0.611 -2.092 3.067) 3.763 11.636 ( -0.236 -1.290 0.223) 1.330 11.665 ( -1.080 -0.719 1.129) 1.719 11.748 ( 0.737 -4.826 -6.421) 8.066 12.516 ( 3.662 5.681 -3.355) 7.546 12.665 ( 1.796 -0.453 0.146) 1.859 12.900 ( -0.488 -4.139 3.621) 5.521 13.056 ( -2.094 -7.044 -0.939) 7.408 14.263 ( -1.363 9.924 6.986) 12.213 14.344 ( 1.730 8.284 -3.105) 9.015 15.010 ( -1.909 1.885 8.663) 9.069 15.241 ( -0.088 -2.882 -8.779) 9.240 ======================= Grid point 151 (83/88) ======================= q-point: ( 0.00 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.806 ( 0.557 10.440 10.661) 14.932 1.909 ( -2.569 4.814 4.689) 7.195 2.000 ( 2.618 3.840 0.651) 4.693 2.059 ( 2.066 -2.860 3.047) 4.662 2.185 ( -2.732 0.541 -5.544) 6.204 2.232 ( 0.858 -2.762 -7.339) 7.888 2.682 ( -0.163 -0.141 -0.513) 0.556 2.707 ( 0.035 -1.898 -1.384) 2.349 2.801 ( 1.023 0.432 3.562) 3.731 2.842 ( -2.392 -2.649 2.420) 4.312 2.925 ( 7.912 -1.951 -0.017) 8.149 2.957 ( -1.655 -3.436 -5.096) 6.366 3.155 ( -0.841 1.336 3.772) 4.089 3.218 ( 3.077 -5.776 4.058) 7.701 3.311 ( -4.036 5.292 -7.627) 10.123 3.371 ( -4.179 -1.494 -7.307) 8.549 3.875 ( -2.861 10.418 13.465) 17.263 4.067 ( -2.530 -6.797 8.254) 10.988 4.151 ( 3.546 5.945 -10.089) 12.235 4.247 ( 2.796 -3.058 -7.226) 8.329 4.734 ( 0.235 7.263 6.876) 10.004 4.800 ( -0.910 2.247 1.406) 2.802 4.972 ( 1.679 -4.055 2.375) 4.990 5.023 ( -1.099 -7.728 -0.888) 7.856 5.405 ( -1.269 1.753 2.958) 3.665 5.471 ( -0.042 -4.144 3.792) 5.618 5.502 ( -1.229 4.576 -3.659) 5.987 5.630 ( 0.866 -6.760 -8.397) 10.815 6.103 ( -2.377 -0.089 4.486) 5.078 6.118 ( -4.248 -1.414 3.889) 5.930 6.301 ( 1.723 0.056 -2.468) 3.010 6.320 ( 4.413 -1.635 -3.332) 5.766 6.623 ( -2.228 2.543 1.321) 3.630 6.654 ( 3.613 1.505 -1.391) 4.154 6.729 ( -3.047 -1.915 1.007) 3.737 6.775 ( 5.629 -4.224 -3.216) 7.737 7.389 ( 0.378 8.031 6.479) 10.326 7.481 ( 0.777 0.957 -0.765) 1.450 7.639 ( -8.674 4.201 6.740) 11.761 7.711 ( -5.657 -2.059 3.063) 6.755 7.832 ( 5.615 2.209 -6.366) 8.771 7.864 ( 4.078 -0.258 -8.295) 9.247 8.090 ( 1.369 0.541 0.624) 1.599 8.108 ( -1.549 -1.092 -0.768) 2.044 8.558 ( 2.832 -0.164 7.145) 7.687 8.588 ( -1.546 -2.781 5.966) 6.762 8.846 ( -0.694 0.567 -7.080) 7.136 8.874 ( -0.385 -1.889 -8.036) 8.265 11.587 ( -0.501 0.027 1.107) 1.215 11.606 ( -0.200 -1.597 -0.088) 1.612 11.647 ( 0.122 0.544 -0.240) 0.607 11.675 ( 0.883 -2.234 -3.020) 3.859 12.632 ( -3.608 2.867 1.456) 4.832 12.656 ( 0.502 1.114 -1.043) 1.607 12.898 ( 3.396 -2.798 -0.647) 4.448 12.911 ( 1.680 -3.495 -2.398) 4.559 14.426 ( -2.841 6.791 7.087) 10.218 14.483 ( -0.511 1.767 2.399) 3.023 15.060 ( 0.831 2.685 0.843) 2.934 15.137 ( 0.862 -4.176 -5.478) 6.942 ======================= Grid point 152 (84/88) ======================= q-point: ( 0.17 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.828 ( -2.354 9.245 5.649) 11.087 1.891 ( 0.392 5.436 7.192) 9.024 2.014 ( -0.851 0.648 -0.046) 1.071 2.029 ( -2.968 1.803 -7.041) 7.851 2.186 ( 1.622 -1.450 0.473) 2.226 2.234 ( 0.817 -5.046 -1.767) 5.408 2.662 ( -3.152 0.614 -2.264) 3.929 2.710 ( -0.599 -3.286 -0.453) 3.371 2.755 ( -2.740 0.422 -0.344) 2.794 2.798 ( -1.750 -2.252 0.120) 2.855 2.907 ( -0.912 4.660 -2.563) 5.396 3.070 ( 4.377 -6.625 -4.079) 8.926 3.213 ( 3.280 3.807 7.634) 9.140 3.278 ( 3.550 2.016 -1.220) 4.261 3.312 ( 2.776 -2.029 -2.543) 4.277 3.335 ( 4.647 -4.912 1.210) 6.870 3.879 ( -0.740 8.910 11.301) 14.410 4.039 ( -2.277 -6.021 5.695) 8.595 4.171 ( 1.472 5.897 -10.220) 11.891 4.261 ( 0.504 -2.370 -5.953) 6.427 4.737 ( -1.625 7.875 6.043) 10.059 4.807 ( 0.940 4.700 1.347) 4.979 4.988 ( -0.460 -5.194 -0.855) 5.284 5.042 ( 2.500 -8.256 1.443) 8.746 5.330 ( -5.239 2.511 0.939) 5.885 5.412 ( -5.045 -4.916 6.063) 9.294 5.530 ( 2.086 2.357 -2.877) 4.264 5.627 ( 0.946 -5.719 -5.658) 8.101 6.068 ( -0.908 0.034 3.752) 3.861 6.090 ( 0.344 -1.887 4.290) 4.699 6.330 ( 1.205 1.683 -3.284) 3.882 6.379 ( 0.859 -3.071 -1.963) 3.745 6.588 ( -0.012 1.656 -0.987) 1.927 6.634 ( -1.663 -2.262 -0.158) 2.812 6.796 ( 5.461 4.656 -1.874) 7.417 6.902 ( 7.023 -5.235 -3.999) 9.629 7.376 ( -3.251 7.003 1.940) 7.961 7.467 ( -1.378 3.249 -1.136) 3.708 7.485 ( -8.706 2.108 8.858) 12.598 7.619 ( -4.274 -5.301 6.855) 9.662 7.843 ( -2.243 5.054 -4.421) 7.080 7.925 ( 2.100 -1.908 -5.154) 5.883 8.089 ( 1.582 1.772 -2.304) 3.309 8.133 ( 2.813 -2.097 -0.311) 3.523 8.562 ( -1.532 2.961 4.154) 5.326 8.636 ( 1.330 -3.764 4.570) 6.068 8.809 ( 0.562 3.244 -5.285) 6.227 8.891 ( 2.940 -4.343 -4.808) 7.115 11.581 ( -0.429 -0.054 1.183) 1.260 11.605 ( 0.162 -2.323 -0.236) 2.340 11.656 ( 0.778 0.889 -0.597) 1.324 11.683 ( 0.832 -1.765 -2.375) 3.074 12.559 ( -3.641 5.247 2.612) 6.900 12.641 ( -1.747 -2.122 1.191) 2.996 12.924 ( 1.302 -0.210 -4.161) 4.365 12.975 ( 3.440 -5.481 -4.957) 8.151 14.383 ( -3.409 7.474 8.198) 11.606 14.463 ( -2.248 0.396 4.201) 4.781 15.094 ( 1.982 2.220 -0.170) 2.981 15.153 ( 2.405 -3.091 -5.709) 6.923 ======================= Grid point 153 (85/88) ======================= q-point: ( 0.33 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.818 ( 0.963 9.749 4.653) 10.846 1.909 ( -2.625 4.893 3.664) 6.653 1.946 ( -1.860 0.099 -4.080) 4.485 2.014 ( 1.718 -5.275 -3.384) 6.499 2.187 ( -1.190 0.824 0.111) 1.452 2.239 ( -1.647 -2.699 2.321) 3.922 2.554 ( -3.887 1.782 -1.000) 4.391 2.633 ( -4.240 -2.787 -0.759) 5.131 2.758 ( -1.527 -2.244 1.635) 3.169 2.768 ( -0.086 -0.244 1.007) 1.040 2.910 ( 0.949 8.133 -1.175) 8.272 3.089 ( 0.968 -5.606 -8.984) 10.634 3.318 ( 3.293 1.655 6.947) 7.864 3.360 ( 5.320 0.748 3.139) 6.222 3.418 ( 2.342 -2.873 1.867) 4.150 3.460 ( 9.757 -3.077 -3.527) 10.822 3.924 ( 1.743 4.787 7.214) 8.832 4.010 ( -2.274 -3.408 1.355) 4.315 4.134 ( -1.830 5.144 -6.922) 8.816 4.224 ( -2.182 -2.798 -4.231) 5.522 4.735 ( -0.992 10.431 7.662) 12.981 4.832 ( 1.468 6.386 -0.908) 6.615 4.982 ( 0.270 -2.397 -0.149) 2.417 5.075 ( -0.599 -7.584 0.438) 7.621 5.263 ( -0.949 -0.299 4.277) 4.391 5.329 ( -4.531 -5.546 6.578) 9.724 5.543 ( 0.429 0.599 -4.238) 4.302 5.615 ( -0.052 -5.995 -6.941) 9.172 6.114 ( 3.902 0.952 2.133) 4.548 6.156 ( 4.601 -2.797 2.463) 5.921 6.312 ( -2.024 1.341 -1.530) 2.870 6.346 ( -3.002 -2.068 -0.143) 3.648 6.589 ( 0.225 2.203 -0.155) 2.220 6.638 ( 0.639 -1.589 -0.196) 1.724 6.869 ( 1.932 5.114 0.081) 5.467 6.996 ( 2.218 -6.820 -3.291) 7.891 7.298 ( -3.369 4.606 -0.988) 5.791 7.363 ( -3.821 -2.301 -0.113) 4.462 7.445 ( -1.437 7.071 7.634) 10.505 7.581 ( -1.875 -5.309 5.506) 7.875 7.781 ( -1.500 5.192 -4.179) 6.831 7.880 ( -2.818 -3.878 -4.468) 6.553 8.155 ( 4.107 2.674 -2.297) 5.413 8.189 ( 2.137 -0.597 -0.785) 2.354 8.552 ( -1.622 5.587 5.854) 8.253 8.646 ( -0.366 -2.504 -0.070) 2.531 8.841 ( 2.953 2.523 -1.829) 4.293 8.933 ( 2.530 -5.280 -4.763) 7.547 11.579 ( -0.145 0.009 0.917) 0.928 11.610 ( 0.564 -2.947 -1.513) 3.361 11.670 ( 0.654 0.716 0.014) 0.970 11.690 ( 0.379 -1.208 -1.249) 1.778 12.517 ( -1.218 5.942 3.320) 6.915 12.609 ( -1.499 -2.132 0.826) 2.734 12.917 ( -0.716 0.382 -3.220) 3.320 12.997 ( 0.737 -7.163 -7.146) 10.144 14.360 ( -1.468 7.016 8.648) 11.232 14.436 ( -1.684 0.362 4.765) 5.067 15.125 ( 0.845 2.426 -0.107) 2.572 15.184 ( 2.315 -2.879 -5.904) 6.965 ======================= Grid point 154 (86/88) ======================= q-point: (-0.50 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.828 ( -4.838 6.171 4.559) 9.070 1.905 ( 3.920 4.809 0.715) 6.245 1.933 ( 2.741 1.282 0.366) 3.048 2.005 ( -2.716 -1.306 -4.124) 5.108 2.159 ( -5.430 -0.774 1.617) 5.718 2.195 ( 2.821 -4.369 -0.810) 5.263 2.540 ( 1.499 1.546 3.759) 4.332 2.587 ( -0.723 -3.327 1.185) 3.605 2.730 ( -1.726 3.673 4.167) 5.817 2.763 ( -0.239 2.871 0.131) 2.884 2.913 ( -0.692 2.556 0.847) 2.780 3.066 ( 0.287 -7.563 -11.045) 13.389 3.359 ( -1.604 0.610 3.808) 4.177 3.418 ( -1.783 -4.712 8.966) 10.285 3.504 ( 5.829 6.004 -7.780) 11.426 3.623 ( 6.665 -3.930 -6.765) 10.278 3.937 ( -5.189 1.890 3.179) 6.373 3.974 ( 0.966 -1.234 2.769) 3.182 4.097 ( 0.905 3.709 -0.668) 3.876 4.165 ( -1.615 -2.495 -4.483) 5.378 4.725 ( -3.102 11.966 9.114) 15.358 4.863 ( 1.555 4.785 -2.578) 5.653 4.976 ( -2.445 -0.984 3.883) 4.693 5.049 ( 0.371 -3.537 -1.739) 3.959 5.296 ( -0.139 -2.551 7.058) 7.506 5.315 ( 2.678 -3.659 4.580) 6.445 5.531 ( 0.201 -1.782 -5.646) 5.924 5.589 ( 1.014 -7.380 -9.455) 12.038 6.204 ( 2.954 1.691 2.173) 4.038 6.239 ( -2.927 0.126 -1.104) 3.131 6.268 ( 3.190 -2.092 1.176) 3.992 6.279 ( -2.524 -1.570 -0.217) 2.981 6.598 ( -0.498 2.361 2.145) 3.228 6.618 ( -1.795 0.886 0.722) 2.128 6.898 ( 0.534 0.208 3.903) 3.945 6.946 ( -5.121 -3.825 0.199) 6.395 7.278 ( 0.390 2.312 0.120) 2.347 7.314 ( -0.230 -1.339 -3.382) 3.644 7.489 ( 3.731 4.790 4.948) 7.832 7.588 ( 1.962 -3.714 0.451) 4.225 7.753 ( -0.401 4.632 -3.188) 5.637 7.844 ( 1.794 -3.358 -7.340) 8.269 8.183 ( -2.046 2.647 1.292) 3.586 8.211 ( 0.739 -0.032 -1.486) 1.660 8.526 ( -2.988 6.615 7.630) 10.531 8.634 ( -1.040 -2.439 0.582) 2.714 8.893 ( 2.700 0.919 -3.040) 4.169 8.960 ( 1.983 -4.348 -6.594) 8.144 11.580 ( 0.037 0.127 0.537) 0.553 11.616 ( 0.644 -2.998 -2.446) 3.923 11.680 ( 0.067 0.013 0.536) 0.540 11.688 ( -0.316 -0.741 -0.538) 0.969 12.534 ( 1.703 4.847 3.407) 6.165 12.591 ( -0.115 0.459 -1.324) 1.406 12.885 ( -1.656 -0.792 0.400) 1.878 12.966 ( -0.963 -7.656 -6.581) 10.142 14.378 ( 0.196 5.951 7.829) 9.836 14.430 ( -0.351 1.445 3.598) 3.894 15.124 ( -0.985 3.162 0.658) 3.376 15.199 ( 1.064 -3.662 -5.748) 6.898 ======================= Grid point 155 (87/88) ======================= q-point: (-0.33 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.766 ( -2.896 8.831 8.121) 12.342 1.920 ( -2.117 5.538 -3.466) 6.867 1.936 ( 1.358 -5.218 -0.003) 5.392 2.033 ( -2.663 -3.532 -1.947) 4.833 2.107 ( 5.918 7.712 5.053) 10.956 2.272 ( 2.773 -7.225 0.165) 7.741 2.583 ( 0.906 0.514 -1.302) 1.667 2.607 ( 3.236 0.928 2.454) 4.165 2.728 ( -0.169 3.079 5.592) 6.386 2.779 ( 1.516 3.105 2.495) 4.262 2.887 ( -2.396 0.113 2.421) 3.408 3.031 ( -0.052 -8.851 -9.844) 13.238 3.292 ( -5.231 1.446 2.388) 5.930 3.374 ( -4.898 -5.582 2.370) 7.795 3.517 ( -1.215 6.018 -10.540) 12.198 3.635 ( -2.461 -4.884 -10.635) 11.959 3.880 ( -1.831 8.696 10.481) 13.742 4.017 ( 2.410 -3.629 3.783) 5.769 4.117 ( 0.027 1.912 -4.090) 4.515 4.165 ( 2.957 -2.225 -1.327) 3.931 4.691 ( -2.337 10.211 7.875) 13.105 4.841 ( -2.643 -1.505 1.970) 3.624 4.954 ( -0.465 4.606 0.666) 4.677 5.069 ( 0.524 -5.208 1.611) 5.477 5.338 ( 2.294 -0.961 2.532) 3.549 5.378 ( 1.335 -3.918 1.934) 4.569 5.526 ( 1.781 0.010 -3.231) 3.690 5.610 ( 3.614 -7.043 -9.843) 12.631 6.158 ( -3.027 1.775 -1.433) 3.790 6.195 ( -2.243 -1.754 -0.911) 2.990 6.270 ( 0.201 2.371 2.051) 3.142 6.337 ( 1.564 -3.872 1.219) 4.350 6.564 ( -1.728 2.108 2.040) 3.404 6.606 ( -0.868 -1.127 2.051) 2.496 6.845 ( -4.549 1.176 2.189) 5.183 6.899 ( -2.869 -4.059 4.802) 6.912 7.288 ( 1.442 3.936 0.245) 4.199 7.346 ( 3.309 -2.457 0.633) 4.170 7.610 ( 6.368 2.948 0.940) 7.080 7.660 ( 5.493 -0.410 -5.660) 7.898 7.746 ( 1.161 6.559 -3.814) 7.676 7.884 ( 3.156 -5.023 -5.698) 8.225 8.102 ( -5.655 5.731 3.092) 8.625 8.194 ( -1.860 -2.919 -0.675) 3.526 8.498 ( -2.134 5.134 7.469) 9.311 8.605 ( -2.240 -4.146 3.729) 6.010 8.917 ( 0.980 0.848 -6.684) 6.809 8.964 ( 0.654 -3.021 -7.001) 7.653 11.584 ( 0.203 0.282 0.175) 0.388 11.618 ( 0.315 -2.314 -2.048) 3.107 11.674 ( -0.890 -0.367 0.503) 1.086 11.676 ( -0.334 -1.193 -0.795) 1.472 12.596 ( 1.611 3.524 -3.031) 4.919 12.602 ( 3.447 2.157 1.536) 4.346 12.858 ( -1.782 -1.415 3.593) 4.253 12.928 ( -0.872 -7.098 -3.322) 7.885 14.412 ( 0.505 5.277 6.520) 8.403 14.444 ( 0.718 2.523 1.909) 3.244 15.095 ( -2.032 3.731 1.425) 4.481 15.187 ( -0.353 -4.608 -5.303) 7.034 ======================= Grid point 156 (88/88) ======================= q-point: (-0.17 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.767 ( -0.679 10.456 11.507) 15.563 1.909 ( 1.198 5.309 1.671) 5.693 1.960 ( 0.440 -0.053 -1.884) 1.935 1.999 ( 1.269 -3.186 2.623) 4.318 2.221 ( 2.930 1.404 -1.822) 3.725 2.269 ( -2.393 -2.914 -3.290) 5.004 2.636 ( 4.414 1.290 -0.911) 4.688 2.696 ( 4.158 -1.266 1.864) 4.729 2.742 ( 0.070 1.604 2.738) 3.174 2.833 ( 1.973 0.172 4.292) 4.727 2.847 ( -1.291 -0.036 1.945) 2.335 2.999 ( -0.540 -8.335 -5.800) 10.169 3.199 ( -3.867 0.354 2.972) 4.890 3.250 ( -6.021 -3.732 -1.721) 7.290 3.425 ( -3.750 5.363 -9.689) 11.692 3.509 ( -5.733 -3.110 -8.641) 10.826 3.888 ( -2.411 10.358 13.346) 17.065 4.069 ( 0.193 -5.732 6.900) 8.972 4.116 ( 2.383 4.855 -8.178) 9.805 4.211 ( 2.612 -3.915 -4.853) 6.761 4.698 ( 0.308 8.423 7.222) 11.099 4.813 ( -1.057 -1.031 3.090) 3.425 4.947 ( -0.026 1.695 0.947) 1.942 5.059 ( -1.900 -7.970 1.200) 8.281 5.383 ( 1.998 0.697 -1.798) 2.777 5.418 ( 2.309 -2.229 4.000) 5.128 5.551 ( -0.345 1.408 -0.936) 1.725 5.636 ( 2.101 -6.291 -10.432) 12.362 6.123 ( -0.475 1.437 0.107) 1.517 6.165 ( -0.699 -2.177 -1.475) 2.721 6.269 ( -0.029 1.981 1.238) 2.336 6.326 ( -2.804 -3.693 2.423) 5.231 6.566 ( 2.155 2.767 0.560) 3.551 6.626 ( 2.323 -1.955 0.675) 3.111 6.764 ( -3.596 0.894 0.634) 3.759 6.823 ( -5.371 -4.181 3.143) 7.497 7.338 ( 2.431 6.300 3.492) 7.602 7.431 ( 3.590 -2.268 2.770) 5.070 7.714 ( 4.118 4.812 -8.475) 10.580 7.743 ( 2.183 3.869 0.300) 4.453 7.775 ( 2.440 1.475 -0.992) 3.019 7.856 ( -4.044 -1.340 -3.801) 5.709 8.053 ( 0.813 3.077 1.421) 3.485 8.149 ( -1.915 -4.827 -0.982) 5.285 8.497 ( 0.010 3.036 7.468) 8.062 8.589 ( -0.934 -5.083 6.228) 8.093 8.888 ( -0.821 1.456 -8.845) 9.002 8.933 ( -1.417 -2.565 -7.201) 7.774 11.589 ( 0.123 0.273 0.304) 0.427 11.613 ( -0.291 -1.374 -0.753) 1.594 11.656 ( -0.932 -0.180 0.565) 1.105 11.670 ( 0.380 -2.149 -2.417) 3.256 12.627 ( 2.447 4.209 -3.566) 6.035 12.665 ( 1.231 0.005 0.093) 1.235 12.844 ( 0.116 -0.453 3.233) 3.267 12.910 ( -0.405 -6.168 -0.407) 6.194 14.436 ( -0.471 5.662 6.159) 8.379 14.469 ( 1.009 2.758 1.316) 3.218 15.062 ( -1.357 3.514 1.593) 4.090 15.156 ( -0.686 -4.919 -5.138) 7.146 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/17640 10.0 1687.607 2213.245 1247.360 0.000 -404.101 0.000 3/17640 20.0 213.079 329.529 218.173 0.000 -58.149 0.000 3/17640 30.0 82.094 131.517 89.763 0.000 -21.540 0.000 3/17640 40.0 45.087 71.827 49.854 0.000 -11.145 0.000 3/17640 50.0 29.038 45.973 32.371 0.000 -6.870 0.000 3/17640 60.0 20.591 32.497 23.173 0.000 -4.728 0.000 3/17640 70.0 15.616 24.613 17.744 0.000 -3.512 0.000 3/17640 80.0 12.444 19.601 14.264 0.000 -2.757 0.000 3/17640 90.0 10.290 16.202 11.886 0.000 -2.256 0.000 3/17640 100.0 8.752 13.777 10.178 0.000 -1.905 0.000 3/17640 110.0 7.609 11.974 8.899 0.000 -1.647 0.000 3/17640 120.0 6.730 10.588 7.911 0.000 -1.451 0.000 3/17640 130.0 6.035 9.492 7.125 0.000 -1.297 0.000 3/17640 140.0 5.472 8.606 6.486 0.000 -1.173 0.000 3/17640 150.0 5.008 7.874 5.957 0.000 -1.072 0.000 3/17640 160.0 4.619 7.261 5.511 0.000 -0.987 0.000 3/17640 170.0 4.287 6.740 5.130 0.000 -0.915 0.000 3/17640 180.0 4.002 6.291 4.801 0.000 -0.853 0.000 3/17640 190.0 3.754 5.900 4.513 0.000 -0.800 0.000 3/17640 200.0 3.535 5.557 4.260 0.000 -0.753 0.000 3/17640 210.0 3.342 5.253 4.035 0.000 -0.711 0.000 3/17640 220.0 3.169 4.982 3.833 0.000 -0.674 0.000 3/17640 230.0 3.014 4.738 3.651 0.000 -0.641 0.000 3/17640 240.0 2.874 4.518 3.487 0.000 -0.611 0.000 3/17640 250.0 2.747 4.319 3.337 0.000 -0.584 0.000 3/17640 260.0 2.631 4.136 3.200 0.000 -0.559 0.000 3/17640 270.0 2.524 3.969 3.074 0.000 -0.536 0.000 3/17640 280.0 2.427 3.816 2.958 0.000 -0.515 0.000 3/17640 290.0 2.336 3.674 2.851 0.000 -0.496 0.000 3/17640 300.0 2.253 3.543 2.751 0.000 -0.478 0.000 3/17640 310.0 2.175 3.421 2.659 0.000 -0.462 0.000 3/17640 320.0 2.103 3.307 2.572 0.000 -0.446 0.000 3/17640 330.0 2.035 3.201 2.491 0.000 -0.432 0.000 3/17640 340.0 1.972 3.101 2.416 0.000 -0.418 0.000 3/17640 350.0 1.912 3.008 2.344 0.000 -0.406 0.000 3/17640 360.0 1.856 2.920 2.277 0.000 -0.394 0.000 3/17640 370.0 1.804 2.838 2.214 0.000 -0.383 0.000 3/17640 380.0 1.754 2.760 2.154 0.000 -0.372 0.000 3/17640 390.0 1.707 2.686 2.097 0.000 -0.362 0.000 3/17640 400.0 1.663 2.616 2.044 0.000 -0.353 0.000 3/17640 410.0 1.621 2.550 1.993 0.000 -0.344 0.000 3/17640 420.0 1.581 2.487 1.944 0.000 -0.335 0.000 3/17640 430.0 1.543 2.427 1.898 0.000 -0.327 0.000 3/17640 440.0 1.506 2.370 1.854 0.000 -0.319 0.000 3/17640 450.0 1.472 2.316 1.812 0.000 -0.312 0.000 3/17640 460.0 1.439 2.264 1.772 0.000 -0.305 0.000 3/17640 470.0 1.407 2.215 1.734 0.000 -0.298 0.000 3/17640 480.0 1.377 2.167 1.697 0.000 -0.292 0.000 3/17640 490.0 1.348 2.122 1.662 0.000 -0.286 0.000 3/17640 500.0 1.321 2.078 1.628 0.000 -0.280 0.000 3/17640 510.0 1.294 2.037 1.596 0.000 -0.274 0.000 3/17640 520.0 1.269 1.997 1.565 0.000 -0.269 0.000 3/17640 530.0 1.244 1.958 1.535 0.000 -0.264 0.000 3/17640 540.0 1.220 1.921 1.506 0.000 -0.259 0.000 3/17640 550.0 1.198 1.886 1.479 0.000 -0.254 0.000 3/17640 560.0 1.176 1.851 1.452 0.000 -0.249 0.000 3/17640 570.0 1.155 1.818 1.426 0.000 -0.245 0.000 3/17640 580.0 1.135 1.786 1.401 0.000 -0.241 0.000 3/17640 590.0 1.115 1.755 1.378 0.000 -0.236 0.000 3/17640 600.0 1.096 1.726 1.354 0.000 -0.232 0.000 3/17640 610.0 1.078 1.697 1.332 0.000 -0.228 0.000 3/17640 620.0 1.060 1.669 1.310 0.000 -0.225 0.000 3/17640 630.0 1.043 1.642 1.289 0.000 -0.221 0.000 3/17640 640.0 1.027 1.616 1.269 0.000 -0.218 0.000 3/17640 650.0 1.011 1.591 1.249 0.000 -0.214 0.000 3/17640 660.0 0.995 1.567 1.230 0.000 -0.211 0.000 3/17640 670.0 0.980 1.543 1.212 0.000 -0.208 0.000 3/17640 680.0 0.965 1.520 1.194 0.000 -0.205 0.000 3/17640 690.0 0.951 1.498 1.176 0.000 -0.202 0.000 3/17640 700.0 0.937 1.476 1.160 0.000 -0.199 0.000 3/17640 710.0 0.924 1.455 1.143 0.000 -0.196 0.000 3/17640 720.0 0.911 1.434 1.127 0.000 -0.193 0.000 3/17640 730.0 0.898 1.415 1.112 0.000 -0.190 0.000 3/17640 740.0 0.886 1.395 1.097 0.000 -0.188 0.000 3/17640 750.0 0.874 1.376 1.082 0.000 -0.185 0.000 3/17640 760.0 0.863 1.358 1.068 0.000 -0.183 0.000 3/17640 770.0 0.851 1.340 1.054 0.000 -0.180 0.000 3/17640 780.0 0.840 1.323 1.040 0.000 -0.178 0.000 3/17640 790.0 0.829 1.306 1.027 0.000 -0.176 0.000 3/17640 800.0 0.819 1.290 1.014 0.000 -0.174 0.000 3/17640 810.0 0.809 1.274 1.001 0.000 -0.171 0.000 3/17640 820.0 0.799 1.258 0.989 0.000 -0.169 0.000 3/17640 830.0 0.789 1.243 0.977 0.000 -0.167 0.000 3/17640 840.0 0.780 1.228 0.965 0.000 -0.165 0.000 3/17640 850.0 0.770 1.213 0.954 0.000 -0.163 0.000 3/17640 860.0 0.761 1.199 0.943 0.000 -0.161 0.000 3/17640 870.0 0.753 1.185 0.932 0.000 -0.159 0.000 3/17640 880.0 0.744 1.171 0.921 0.000 -0.158 0.000 3/17640 890.0 0.736 1.158 0.911 0.000 -0.156 0.000 3/17640 900.0 0.727 1.145 0.901 0.000 -0.154 0.000 3/17640 910.0 0.719 1.133 0.891 0.000 -0.152 0.000 3/17640 920.0 0.711 1.120 0.881 0.000 -0.151 0.000 3/17640 930.0 0.704 1.108 0.872 0.000 -0.149 0.000 3/17640 940.0 0.696 1.096 0.862 0.000 -0.148 0.000 3/17640 950.0 0.689 1.085 0.853 0.000 -0.146 0.000 3/17640 960.0 0.682 1.073 0.844 0.000 -0.144 0.000 3/17640 970.0 0.674 1.062 0.836 0.000 -0.143 0.000 3/17640 980.0 0.668 1.051 0.827 0.000 -0.141 0.000 3/17640 990.0 0.661 1.041 0.819 0.000 -0.140 0.000 3/17640 1000.0 0.654 1.030 0.811 0.000 -0.139 0.000 3/17640 Thermal conductivity related properties were written into "kappa-m677.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 04:49:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|